data_c30355_6be7 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30355_6be7 _Entry.Title ; Solution structure of de novo macrocycle Design8.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-24 _Entry.Accession_date 2017-10-24 _Entry.Last_release_date 2018-01-02 _Entry.Original_release_date 2018-01-02 _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. . . c30355_6be7 2 P. Hosseinzadeh P. . . . c30355_6be7 3 F. Pardo-Avila F. . . . c30355_6be7 4 G. Varani G. . . . c30355_6be7 5 D. Baker D. . . . c30355_6be7 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . c30355_6be7 design . c30355_6be7 macrocycle . c30355_6be7 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30355_6be7 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 25 c30355_6be7 '15N chemical shifts' 9 c30355_6be7 '1H chemical shifts' 48 c30355_6be7 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 . . 2018-01-02 . original BMRB . c30355_6be7 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6BE7 'BMRB Entry Tracking System' c30355_6be7 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30355_6be7 _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. . . . c30355_6be7 1 2 G. Bhardwaj G. . . . c30355_6be7 1 3 V. Mulligan V. K. . . c30355_6be7 1 4 M. Shortridge M. D. . . c30355_6be7 1 5 T. Craven T. W. . . c30355_6be7 1 6 F. Pardo-Avila F. . . . c30355_6be7 1 7 S. Rettie S. A. . . c30355_6be7 1 8 D. Kim D. E. . . c30355_6be7 1 9 D. Silva D. A. . . c30355_6be7 1 10 Y. Ibrahim Y. M. . . c30355_6be7 1 11 I. Webb I. K. . . c30355_6be7 1 12 J. Cort J. R. . . c30355_6be7 1 13 J. Adkins J. N. . . c30355_6be7 1 14 G. Varani G. . . . c30355_6be7 1 15 D. Baker D. . . . c30355_6be7 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30355_6be7 _Assembly.ID 1 _Assembly.Name DDPT(DPR)(DAR)Q(DGN) _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 . . . . . . c30355_6be7 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30355_6be7 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DDPTXXQX ; _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 8 _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 956.976 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Head to tail cyclic between position 1 and 8' _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 . ASP . c30355_6be7 1 2 . ASP . c30355_6be7 1 3 . PRO . c30355_6be7 1 4 . THR . c30355_6be7 1 5 . DPR . c30355_6be7 1 6 . DAR . c30355_6be7 1 7 . GLN . c30355_6be7 1 8 . DGN . c30355_6be7 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 . ASP 1 1 c30355_6be7 1 . ASP 2 2 c30355_6be7 1 . PRO 3 3 c30355_6be7 1 . THR 4 4 c30355_6be7 1 . DPR 5 5 c30355_6be7 1 . DAR 6 6 c30355_6be7 1 . GLN 7 7 c30355_6be7 1 . DGN 8 8 c30355_6be7 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 c30355_6be7 _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 . . . . . . . . . . . . . c30355_6be7 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 c30355_6be7 _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' . . . . . . . . . . . . . . . . c30355_6be7 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DGN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DGN _Chem_comp.Entry_ID c30355_6be7 _Chem_comp.ID DGN _Chem_comp.Provenance PDB _Chem_comp.Name D-GLUTAMINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DGN _Chem_comp.PDB_code DGN _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 Q _Chem_comp.Three_letter_code DGN _Chem_comp.Number_atoms_all 20 _Chem_comp.Number_atoms_nh 10 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/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 H10 N2 O3' _Chem_comp.Formula_weight 146.144 _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 1B74 _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(CC(=O)N)C(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30355_6be7 DGN C(CC(=O)N)[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30355_6be7 DGN InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1 InChI InChI 1.03 c30355_6be7 DGN N[C@H](CCC(N)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30355_6be7 DGN N[CH](CCC(N)=O)C(O)=O SMILES CACTVS 3.341 c30355_6be7 DGN O=C(N)CCC(N)C(=O)O SMILES ACDLabs 10.04 c30355_6be7 DGN ZDXPYRJPNDTMRX-GSVOUGTGSA-N InChIKey InChI 1.03 c30355_6be7 DGN 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)-2,5-diamino-5-oxo-pentanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30355_6be7 DGN D-glutamine 'SYSTEMATIC NAME' ACDLabs 10.04 c30355_6be7 DGN 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 . . . . 22.834 . 33.480 . 29.804 . 1.852 -0.150 -1.124 1 . c30355_6be7 DGN CA CA CA CA . C . . R 0 . . . 1 no no . . . . 22.324 . 33.590 . 28.511 . 0.511 0.450 -1.103 2 . c30355_6be7 DGN C C C C . C . . N 0 . . . 1 no no . . . . 21.840 . 32.263 . 28.066 . -0.249 0.021 -2.330 3 . c30355_6be7 DGN O O O O . O . . N 0 . . . 1 no no . . . . 21.313 . 32.123 . 26.945 . -0.022 -1.050 -2.839 4 . c30355_6be7 DGN OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 21.973 . 31.279 . 28.810 . -1.180 0.831 -2.859 5 . c30355_6be7 DGN CB CB CB CB . C . . N 0 . . . 1 no no . . . . 21.251 . 34.601 . 28.529 . -0.235 -0.013 0.148 6 . c30355_6be7 DGN CG CG CG CG . C . . N 0 . . . 1 no no . . . . 21.763 . 35.903 . 29.131 . 0.537 0.421 1.394 7 . c30355_6be7 DGN CD CD CD CD . C . . N 0 . . . 1 no no . . . . 20.648 . 36.832 . 29.130 . -0.198 -0.035 2.627 8 . c30355_6be7 DGN OE1 OE1 OE1 OE1 . O . . N 0 . . . 1 no no . . . . 19.488 . 36.396 . 28.937 . -1.238 -0.649 2.520 9 . c30355_6be7 DGN NE2 NE2 NE2 NE2 . N . . N 0 . . . 1 no no . . . . 21.012 . 38.127 . 29.358 . 0.299 0.237 3.850 10 . c30355_6be7 DGN H H H H . H . . N 0 . . . 1 no no . . . . 23.167 . 34.394 . 30.110 . 2.267 0.097 -2.010 11 . c30355_6be7 DGN H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 23.553 . 32.760 . 29.877 . 1.721 -1.150 -1.134 12 . c30355_6be7 DGN HA HA HA HA . H . . N 0 . . . 1 no no . . . . 23.105 . 33.918 . 27.786 . 0.600 1.536 -1.091 13 . c30355_6be7 DGN HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 21.662 . 30.427 . 28.524 . -1.669 0.556 -3.647 14 . c30355_6be7 DGN HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 20.808 . 34.756 . 27.517 . -1.230 0.431 0.164 15 . c30355_6be7 DGN HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 20.339 . 34.230 . 29.052 . -0.324 -1.100 0.136 16 . c30355_6be7 DGN HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 22.223 . 35.770 . 30.137 . 1.532 -0.024 1.379 17 . c30355_6be7 DGN HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 22.667 . 36.300 . 28.613 . 0.626 1.507 1.406 18 . c30355_6be7 DGN HE21 HE21 HE21 1HE2 . H . . N 0 . . . 0 no no . . . . 21.955 . 38.481 . 29.515 . -0.173 -0.057 4.643 19 . c30355_6be7 DGN HE22 HE22 HE22 2HE2 . H . . N 0 . . . 0 no no . . . . 20.228 . 38.779 . 29.357 . 1.132 0.727 3.936 20 . c30355_6be7 DGN 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 . c30355_6be7 DGN 2 . SING N H no N 2 . c30355_6be7 DGN 3 . SING N H2 no N 3 . c30355_6be7 DGN 4 . SING CA C no N 4 . c30355_6be7 DGN 5 . SING CA CB no N 5 . c30355_6be7 DGN 6 . SING CA HA no N 6 . c30355_6be7 DGN 7 . DOUB C O no N 7 . c30355_6be7 DGN 8 . SING C OXT no N 8 . c30355_6be7 DGN 9 . SING OXT HXT no N 9 . c30355_6be7 DGN 10 . SING CB CG no N 10 . c30355_6be7 DGN 11 . SING CB HB2 no N 11 . c30355_6be7 DGN 12 . SING CB HB3 no N 12 . c30355_6be7 DGN 13 . SING CG CD no N 13 . c30355_6be7 DGN 14 . SING CG HG2 no N 14 . c30355_6be7 DGN 15 . SING CG HG3 no N 15 . c30355_6be7 DGN 16 . DOUB CD OE1 no N 16 . c30355_6be7 DGN 17 . SING CD NE2 no N 17 . c30355_6be7 DGN 18 . SING NE2 HE21 no N 18 . c30355_6be7 DGN 19 . SING NE2 HE22 no N 19 . c30355_6be7 DGN stop_ save_ save_chem_comp_DPR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DPR _Chem_comp.Entry_ID c30355_6be7 _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 c30355_6be7 DPR C1C[C@@H](NC1)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c30355_6be7 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 c30355_6be7 DPR O=C(O)C1NCCC1 SMILES ACDLabs 12.01 c30355_6be7 DPR OC(=O)[C@H]1CCCN1 SMILES_CANONICAL CACTVS 3.370 c30355_6be7 DPR OC(=O)[CH]1CCCN1 SMILES CACTVS 3.370 c30355_6be7 DPR ONIBWKKTOPOVIA-SCSAIBSYSA-N InChIKey InChI 1.03 c30355_6be7 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 c30355_6be7 DPR D-proline 'SYSTEMATIC NAME' ACDLabs 12.01 c30355_6be7 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 . c30355_6be7 DPR CA CA CA CA . C . . R 0 . . . 1 no no . . . . -3.893 . 8.671 . -18.566 . -0.014 -0.244 0.598 2 . c30355_6be7 DPR CB CB CB CB . C . . N 0 . . . 1 no no . . . . -5.242 . 9.255 . -18.952 . 0.728 -1.247 -0.310 3 . c30355_6be7 DPR CG CG CG CG . C . . N 0 . . . 1 no no . . . . -6.239 . 8.113 . -18.840 . 2.199 -0.759 -0.242 4 . c30355_6be7 DPR CD CD CD CD . C . . N 0 . . . 1 no no . . . . -5.571 . 6.986 . -18.070 . 2.016 0.777 -0.168 5 . c30355_6be7 DPR C C C C . C . . N 0 . . . 1 no no . . . . -2.999 . 8.379 . -19.774 . -1.360 0.086 0.006 6 . c30355_6be7 DPR O O O O . O . . N 0 . . . 1 no no . . . . -3.431 . 7.734 . -20.727 . -1.509 1.105 -0.626 7 . c30355_6be7 DPR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -2.393 -0.753 0.180 8 . c30355_6be7 DPR H H H HT1 . H . . N 0 . . . 1 no yes . . . . -3.576 . 6.736 . -18.147 . 0.293 1.784 0.370 9 . c30355_6be7 DPR HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.318 . 9.388 . -17.962 . -0.138 -0.667 1.595 10 . c30355_6be7 DPR HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . -5.517 . 10.078 . -18.276 . 0.639 -2.260 0.083 11 . c30355_6be7 DPR HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . -5.215 . 9.648 . -19.979 . 0.351 -1.194 -1.331 12 . c30355_6be7 DPR HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 no no . . . . -7.140 . 8.451 . -18.307 . 2.695 -1.137 0.653 13 . c30355_6be7 DPR HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 no no . . . . -6.527 . 7.765 . -19.843 . 2.747 -1.045 -1.140 14 . c30355_6be7 DPR HD2 HD2 HD2 HD1 . H . . N 0 . . . 1 no no . . . . -5.580 . 6.051 . -18.650 . 1.855 1.188 -1.165 15 . c30355_6be7 DPR HD3 HD3 HD3 HD2 . H . . N 0 . . . 1 no no . . . . -6.088 . 6.796 . -17.118 . 2.885 1.241 0.299 16 . c30355_6be7 DPR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . . . . . . . -3.237 -0.500 -0.219 17 . c30355_6be7 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 . c30355_6be7 DPR 2 . SING N CD no N 2 . c30355_6be7 DPR 3 . SING N H no N 3 . c30355_6be7 DPR 4 . SING CA CB no N 4 . c30355_6be7 DPR 5 . SING CA C no N 5 . c30355_6be7 DPR 6 . SING CA HA no N 6 . c30355_6be7 DPR 7 . SING CB CG no N 7 . c30355_6be7 DPR 8 . SING CB HB2 no N 8 . c30355_6be7 DPR 9 . SING CB HB3 no N 9 . c30355_6be7 DPR 10 . SING CG CD no N 10 . c30355_6be7 DPR 11 . SING CG HG2 no N 11 . c30355_6be7 DPR 12 . SING CG HG3 no N 12 . c30355_6be7 DPR 13 . SING CD HD2 no N 13 . c30355_6be7 DPR 14 . SING CD HD3 no N 14 . c30355_6be7 DPR 15 . DOUB C O no N 15 . c30355_6be7 DPR 16 . SING C OXT no N 16 . c30355_6be7 DPR 17 . SING OXT HXT no N 17 . c30355_6be7 DPR stop_ save_ save_chem_comp_DAR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DAR _Chem_comp.Entry_ID c30355_6be7 _Chem_comp.ID DAR _Chem_comp.Provenance PDB _Chem_comp.Name D-ARGININE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DAR _Chem_comp.PDB_code DAR _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 R _Chem_comp.Three_letter_code DAR _Chem_comp.Number_atoms_all 27 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H15 N4 O2' _Chem_comp.Formula_weight 175.209 _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 yes _Chem_comp.Model_coordinates_db_code 1CZQ _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(CC(C(=O)O)N)CNC(=[NH2+])N SMILES 'OpenEye OEToolkits' 1.5.0 c30355_6be7 DAR C(C[C@H](C(=O)O)N)CNC(=[NH2+])N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30355_6be7 DAR InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1 InChI InChI 1.03 c30355_6be7 DAR N[C@H](CCCNC(N)=[NH2+])C(O)=O SMILES_CANONICAL CACTVS 3.341 c30355_6be7 DAR N[CH](CCCNC(N)=[NH2+])C(O)=O SMILES CACTVS 3.341 c30355_6be7 DAR O=C(O)C(N)CCCN\C(=[NH2+])N SMILES ACDLabs 10.04 c30355_6be7 DAR ODKSFYDXXFIFQN-SCSAIBSYSA-O InChIKey InChI 1.03 c30355_6be7 DAR 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 [amino-[[(4R)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30355_6be7 DAR amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium 'SYSTEMATIC NAME' ACDLabs 10.04 c30355_6be7 DAR 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 . . . . 17.418 . -6.202 . 32.216 . -2.318 1.786 -0.308 1 . c30355_6be7 DAR CA CA CA CA . C . . R 0 . . . 1 no no . . . . 18.673 . -6.893 . 32.489 . -2.260 0.486 0.373 2 . c30355_6be7 DAR CB CB CB CB . C . . N 0 . . . 1 no no . . . . 18.480 . -8.408 . 32.369 . -1.023 -0.282 -0.099 3 . c30355_6be7 DAR CG CG CG CG . C . . N 0 . . . 1 no no . . . . 18.169 . -8.847 . 30.969 . 0.238 0.463 0.342 4 . c30355_6be7 DAR CD CD CD CD . C . . N 0 . . . 1 no no . . . . 19.397 . -8.762 . 30.070 . 1.475 -0.305 -0.130 5 . c30355_6be7 DAR NE NE NE NE . N . . N 0 . . . 1 no no . . . . 19.715 . -7.408 . 29.607 . 2.683 0.409 0.292 6 . c30355_6be7 DAR CZ CZ CZ CZ . C . . N 0 . . . 1 no no . . . . 20.121 . -7.134 . 28.370 . 3.917 -0.093 -0.019 7 . c30355_6be7 DAR NH1 NH1 NH1 NH1 . N . . N 0 . . . 1 no no . . . . 20.248 . -8.118 . 27.481 . 4.020 -1.229 -0.705 8 . c30355_6be7 DAR NH2 NH2 NH2 NH2 . N . . N 1 . . . 1 no no . . . . 20.409 . -5.891 . 28.015 . 5.015 0.556 0.365 9 . c30355_6be7 DAR C C C C . C . . N 0 . . . 1 no no . . . . 19.313 . -6.582 . 33.833 . -3.499 -0.308 0.047 10 . c30355_6be7 DAR O O O O . O . . N 0 . . . 1 no no . . . . 19.994 . -7.423 . 34.421 . -3.870 -1.327 0.838 11 . c30355_6be7 DAR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 19.100 . -5.379 . 34.342 . -4.157 -0.028 -0.926 12 . c30355_6be7 DAR H H H H . H . . N 0 . . . 1 no no . . . . 17.546 . -5.193 . 32.295 . -2.371 1.593 -1.297 13 . c30355_6be7 DAR H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 16.660 . -6.537 . 32.811 . -3.196 2.210 -0.048 14 . c30355_6be7 DAR HA HA HA HA . H . . N 0 . . . 1 no no . . . . 19.378 . -6.505 . 31.717 . -2.201 0.642 1.450 15 . c30355_6be7 DAR HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 19.363 . -8.955 . 32.771 . -1.027 -1.281 0.338 16 . c30355_6be7 DAR HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 17.702 . -8.768 . 33.082 . -1.037 -0.361 -1.186 17 . c30355_6be7 DAR HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 17.721 . -9.868 . 30.951 . 0.242 1.462 -0.095 18 . c30355_6be7 DAR HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 17.311 . -8.275 . 30.543 . 0.253 0.542 1.429 19 . c30355_6be7 DAR HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 20.280 . -9.218 . 30.574 . 1.471 -1.303 0.307 20 . c30355_6be7 DAR HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 19.293 . -9.455 . 29.202 . 1.461 -0.383 -1.217 21 . c30355_6be7 DAR HE HE HE HNE . H . . N 0 . . . 1 no no . . . . 20.411 . -7.025 . 30.246 . 2.608 1.236 0.793 22 . c30355_6be7 DAR HH11 HH11 HH11 1HH1 . H . . N 0 . . . 0 no no . . . . 20.559 . -7.907 . 26.532 . 3.221 -1.701 -0.985 23 . c30355_6be7 DAR HH12 HH12 HH12 2HH1 . H . . N 0 . . . 0 no no . . . . 19.362 . -8.621 . 27.426 . 4.896 -1.584 -0.926 24 . c30355_6be7 DAR HH21 HH21 HH21 1HH2 . H . . N 0 . . . 0 no no . . . . 20.311 . -5.137 . 28.695 . 5.890 0.200 0.145 25 . c30355_6be7 DAR HH22 HH22 HH22 2HH2 . H . . N 0 . . . 0 no no . . . . 20.720 . -5.680 . 27.066 . 4.940 1.384 0.865 26 . c30355_6be7 DAR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 19.499 . -5.184 . 35.181 . . . . 27 . c30355_6be7 DAR 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 . c30355_6be7 DAR 2 . SING N H no N 2 . c30355_6be7 DAR 3 . SING N H2 no N 3 . c30355_6be7 DAR 4 . SING CA CB no N 4 . c30355_6be7 DAR 5 . SING CA C no N 5 . c30355_6be7 DAR 6 . SING CA HA no N 6 . c30355_6be7 DAR 7 . SING CB CG no N 7 . c30355_6be7 DAR 8 . SING CB HB2 no N 8 . c30355_6be7 DAR 9 . SING CB HB3 no N 9 . c30355_6be7 DAR 10 . SING CG CD no N 10 . c30355_6be7 DAR 11 . SING CG HG2 no N 11 . c30355_6be7 DAR 12 . SING CG HG3 no N 12 . c30355_6be7 DAR 13 . SING CD NE no N 13 . c30355_6be7 DAR 14 . SING CD HD2 no N 14 . c30355_6be7 DAR 15 . SING CD HD3 no N 15 . c30355_6be7 DAR 16 . SING NE CZ no N 16 . c30355_6be7 DAR 17 . SING NE HE no N 17 . c30355_6be7 DAR 18 . SING CZ NH1 no N 18 . c30355_6be7 DAR 19 . DOUB CZ NH2 no N 19 . c30355_6be7 DAR 20 . SING NH1 HH11 no N 20 . c30355_6be7 DAR 21 . SING NH1 HH12 no N 21 . c30355_6be7 DAR 22 . SING NH2 HH21 no N 22 . c30355_6be7 DAR 23 . SING NH2 HH22 no N 23 . c30355_6be7 DAR 24 . DOUB C O no N 24 . c30355_6be7 DAR 25 . SING C OXT no N 25 . c30355_6be7 DAR 26 . SING OXT HXT no N 26 . c30355_6be7 DAR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30355_6be7 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '5 mg/mL unlabeled peptide, 5 % v/v [U-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 peptide 'natural abundance' . . 1 $entity_1 . . 5 . . mg/mL . . . . c30355_6be7 1 2 glycerol [U-2H] . . . . . . 5 . . '% v/v' . . . . c30355_6be7 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 c30355_6be7 _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' c30355_6be7 1 pH 5.5 . pH c30355_6be7 1 pressure 1 . atm c30355_6be7 1 temperature 278 . K c30355_6be7 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30355_6be7 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c30355_6be7 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c30355_6be7 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30355_6be7 _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' . . c30355_6be7 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' c30355_6be7 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30355_6be7 _Software.ID 3 _Software.Name gromacs _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Abraham . . c30355_6be7 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30355_6be7 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 c30355_6be7 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 c30355_6be7 _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 . . . c30355_6be7 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 c30355_6be7 _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 . . . . . . . . . . . . . . . . c30355_6be7 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30355_6be7 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30355_6be7 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30355_6be7 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 c30355_6be7 _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 . . . . . c30355_6be7 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c30355_6be7 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . c30355_6be7 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 c30355_6be7 _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' . . . c30355_6be7 1 2 '2D 1H-1H NOESY' . . . c30355_6be7 1 3 '2D 1H-15N HSQC' . . . c30355_6be7 1 4 '2D 1H-13C HSQC' . . . c30355_6be7 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 ASP H H 1 9.098 0.00 . . . . . . . A 1 ASP H1 . c30355_6be7 1 2 . 1 1 1 1 ASP HA H 1 4.558 0.01 . . . . . . . A 1 ASP HA . c30355_6be7 1 3 . 1 1 1 1 ASP HB2 H 1 2.812 0.00 . . . . . . . A 1 ASP HB2 . c30355_6be7 1 4 . 1 1 1 1 ASP HB3 H 1 2.919 0.01 . . . . . . . A 1 ASP HB3 . c30355_6be7 1 5 . 1 1 1 1 ASP CA C 13 53.135 0.00 . . . . . . . A 1 ASP CA . c30355_6be7 1 6 . 1 1 1 1 ASP CB C 13 37.463 0.11 . . . . . . . A 1 ASP CB . c30355_6be7 1 7 . 1 1 1 1 ASP N N 15 125.699 0.00 . . . . . . . A 1 ASP N . c30355_6be7 1 8 . 1 1 2 2 ASP H H 1 7.846 0.00 . . . . . . . A 2 ASP H . c30355_6be7 1 9 . 1 1 2 2 ASP HA H 1 4.804 0.01 . . . . . . . A 2 ASP HA . c30355_6be7 1 10 . 1 1 2 2 ASP HB2 H 1 2.845 0.01 . . . . . . . A 2 ASP HB2 . c30355_6be7 1 11 . 1 1 2 2 ASP HB3 H 1 3.207 0.01 . . . . . . . A 2 ASP HB3 . c30355_6be7 1 12 . 1 1 2 2 ASP CA C 13 50.620 0.00 . . . . . . . A 2 ASP CA . c30355_6be7 1 13 . 1 1 2 2 ASP CB C 13 38.017 0.06 . . . . . . . A 2 ASP CB . c30355_6be7 1 14 . 1 1 2 2 ASP N N 15 121.477 0.00 . . . . . . . A 2 ASP N . c30355_6be7 1 15 . 1 1 3 3 PRO HA H 1 4.205 0.07 . . . . . . . A 3 PRO HA . c30355_6be7 1 16 . 1 1 3 3 PRO HB2 H 1 1.962 0.01 . . . . . . . A 3 PRO HB2 . c30355_6be7 1 17 . 1 1 3 3 PRO HB3 H 1 2.256 0.01 . . . . . . . A 3 PRO HB3 . c30355_6be7 1 18 . 1 1 3 3 PRO HG2 H 1 2.079 0.12 . . . . . . . A 3 PRO HG2 . c30355_6be7 1 19 . 1 1 3 3 PRO HG3 H 1 2.079 0.12 . . . . . . . A 3 PRO HG3 . c30355_6be7 1 20 . 1 1 3 3 PRO HD2 H 1 3.904 0.01 . . . . . . . A 3 PRO HD2 . c30355_6be7 1 21 . 1 1 3 3 PRO HD3 H 1 3.909 0.00 . . . . . . . A 3 PRO HD3 . c30355_6be7 1 22 . 1 1 3 3 PRO CA C 13 64.365 0.00 . . . . . . . A 3 PRO CA . c30355_6be7 1 23 . 1 1 3 3 PRO CB C 13 32.303 0.09 . . . . . . . A 3 PRO CB . c30355_6be7 1 24 . 1 1 3 3 PRO CG C 13 27.219 0.00 . . . . . . . A 3 PRO CG . c30355_6be7 1 25 . 1 1 3 3 PRO CD C 13 50.741 0.02 . . . . . . . A 3 PRO CD . c30355_6be7 1 26 . 1 1 4 4 THR H H 1 7.571 0.00 . . . . . . . A 4 THR H . c30355_6be7 1 27 . 1 1 4 4 THR HA H 1 4.459 0.01 . . . . . . . A 4 THR HA . c30355_6be7 1 28 . 1 1 4 4 THR HB H 1 3.981 0.01 . . . . . . . A 4 THR HB . c30355_6be7 1 29 . 1 1 4 4 THR HG21 H 1 1.084 0.01 . . . . . . . A 4 THR HG21 . c30355_6be7 1 30 . 1 1 4 4 THR HG22 H 1 1.084 0.01 . . . . . . . A 4 THR HG22 . c30355_6be7 1 31 . 1 1 4 4 THR HG23 H 1 1.084 0.01 . . . . . . . A 4 THR HG23 . c30355_6be7 1 32 . 1 1 4 4 THR CA C 13 59.420 0.00 . . . . . . . A 4 THR CA . c30355_6be7 1 33 . 1 1 4 4 THR CB C 13 69.226 0.00 . . . . . . . A 4 THR CB . c30355_6be7 1 34 . 1 1 4 4 THR CG2 C 13 21.223 0.00 . . . . . . . A 4 THR CG2 . c30355_6be7 1 35 . 1 1 4 4 THR N N 15 115.145 0.00 . . . . . . . A 4 THR N . c30355_6be7 1 36 . 1 1 5 5 DPR CA C 13 62.773 0.00 . . . . . . . A 5 DPR CA . c30355_6be7 1 37 . 1 1 5 5 DPR CB C 13 31.912 0.00 . . . . . . . A 5 DPR CB . c30355_6be7 1 38 . 1 1 5 5 DPR CD C 13 50.877 0.02 . . . . . . . A 5 DPR CD . c30355_6be7 1 39 . 1 1 5 5 DPR CG C 13 28.362 0.00 . . . . . . . A 5 DPR CG . c30355_6be7 1 40 . 1 1 5 5 DPR HA H 1 4.292 0.15 . . . . . . . A 5 DPR HA . c30355_6be7 1 41 . 1 1 5 5 DPR HB2 H 1 2.148 0.10 . . . . . . . A 5 DPR HB2 . c30355_6be7 1 42 . 1 1 5 5 DPR HD2 H 1 3.647 0.01 . . . . . . . A 5 DPR HD2 . c30355_6be7 1 43 . 1 1 5 5 DPR HD3 H 1 3.813 0.01 . . . . . . . A 5 DPR HD3 . c30355_6be7 1 44 . 1 1 5 5 DPR HG2 H 1 1.952 0.09 . . . . . . . A 5 DPR HG2 . c30355_6be7 1 45 . 1 1 6 6 DAR H H 1 7.811 0.02 . . . . . . . A 6 DAR H . c30355_6be7 1 46 . 1 1 6 6 DAR N N 15 120.633 0.00 . . . . . . . A 6 DAR N . c30355_6be7 1 47 . 1 1 6 6 DAR CA C 13 58.079 0.00 . . . . . . . A 6 DAR CA . c30355_6be7 1 48 . 1 1 6 6 DAR CB C 13 30.415 0.00 . . . . . . . A 6 DAR CB . c30355_6be7 1 49 . 1 1 6 6 DAR CD C 13 43.355 0.00 . . . . . . . A 6 DAR CD . c30355_6be7 1 50 . 1 1 6 6 DAR CG C 13 27.370 0.05 . . . . . . . A 6 DAR CG . c30355_6be7 1 51 . 1 1 6 6 DAR HA H 1 4.067 0.07 . . . . . . . A 6 DAR HA . c30355_6be7 1 52 . 1 1 6 6 DAR HB2 H 1 1.734 0.02 . . . . . . . A 6 DAR HB2 . c30355_6be7 1 53 . 1 1 6 6 DAR HB3 H 1 1.813 0.01 . . . . . . . A 6 DAR HB3 . c30355_6be7 1 54 . 1 1 6 6 DAR HD2 H 1 3.176 0.01 . . . . . . . A 6 DAR HD2 . c30355_6be7 1 55 . 1 1 6 6 DAR HE H 1 7.088 0.00 . . . . . . . A 6 DAR HE . c30355_6be7 1 56 . 1 1 6 6 DAR HG2 H 1 1.517 0.01 . . . . . . . A 6 DAR HG2 . c30355_6be7 1 57 . 1 1 6 6 DAR HG3 H 1 1.708 0.03 . . . . . . . A 6 DAR HG3 . c30355_6be7 1 58 . 1 1 6 6 DAR NE N 15 116.271 0.00 . . . . . . . A 6 DAR NE . c30355_6be7 1 59 . 1 1 7 7 GLN H H 1 7.651 0.00 . . . . . . . A 7 GLN H . c30355_6be7 1 60 . 1 1 7 7 GLN HA H 1 4.488 0.01 . . . . . . . A 7 GLN HA . c30355_6be7 1 61 . 1 1 7 7 GLN HB2 H 1 1.921 0.01 . . . . . . . A 7 GLN HB2 . c30355_6be7 1 62 . 1 1 7 7 GLN HB3 H 1 2.085 0.00 . . . . . . . A 7 GLN HB3 . c30355_6be7 1 63 . 1 1 7 7 GLN HG2 H 1 2.163 0.01 . . . . . . . A 7 GLN HG2 . c30355_6be7 1 64 . 1 1 7 7 GLN HG3 H 1 2.262 0.01 . . . . . . . A 7 GLN HG3 . c30355_6be7 1 65 . 1 1 7 7 GLN HE21 H 1 7.457 0.00 . . . . . . . A 7 GLN HE21 . c30355_6be7 1 66 . 1 1 7 7 GLN HE22 H 1 6.886 0.00 . . . . . . . A 7 GLN HE22 . c30355_6be7 1 67 . 1 1 7 7 GLN CA C 13 54.308 0.00 . . . . . . . A 7 GLN CA . c30355_6be7 1 68 . 1 1 7 7 GLN CB C 13 30.558 0.03 . . . . . . . A 7 GLN CB . c30355_6be7 1 69 . 1 1 7 7 GLN CG C 13 33.566 0.15 . . . . . . . A 7 GLN CG . c30355_6be7 1 70 . 1 1 7 7 GLN N N 15 119.460 0.00 . . . . . . . A 7 GLN N . c30355_6be7 1 71 . 1 1 7 7 GLN NE2 N 15 112.397 0.00 . . . . . . . A 7 GLN NE2 . c30355_6be7 1 72 . 1 1 8 8 DGN H H 1 8.286 0.00 . . . . . . . A 8 DGN H . c30355_6be7 1 73 . 1 1 8 8 DGN N N 15 122.744 0.00 . . . . . . . A 8 DGN N . c30355_6be7 1 74 . 1 1 8 8 DGN CA C 13 57.325 0.00 . . . . . . . A 8 DGN CA . c30355_6be7 1 75 . 1 1 8 8 DGN CB C 13 29.355 2.62 . . . . . . . A 8 DGN CB . c30355_6be7 1 76 . 1 1 8 8 DGN CG C 13 33.536 0.00 . . . . . . . A 8 DGN CG . c30355_6be7 1 77 . 1 1 8 8 DGN HA H 1 4.032 0.01 . . . . . . . A 8 DGN HA . c30355_6be7 1 78 . 1 1 8 8 DGN HB2 H 1 1.912 0.03 . . . . . . . A 8 DGN HB2 . c30355_6be7 1 79 . 1 1 8 8 DGN HE21 H 1 7.523 0.00 . . . . . . . A 8 DGN HE21 . c30355_6be7 1 80 . 1 1 8 8 DGN HE22 H 1 6.900 0.00 . . . . . . . A 8 DGN HE22 . c30355_6be7 1 81 . 1 1 8 8 DGN HG2 H 1 2.266 0.00 . . . . . . . A 8 DGN HG2 . c30355_6be7 1 82 . 1 1 8 8 DGN NE2 N 15 112.519 0.00 . . . . . . . A 8 DGN NE2 . c30355_6be7 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 c30355_6be7 _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 c30355_6be7 _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 . . . c30355_6be7 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 . . . . c30355_6be7 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 ASP C C 35.870 23.050 23.150 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 1 . 2 . 1 1 1 ASP CA C 36.050 21.780 23.950 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 1 . 3 . 1 1 1 ASP CB C 36.960 21.980 25.170 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 1 . 4 . 1 1 1 ASP CG C 37.320 20.740 25.980 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 1 . 5 . 1 1 1 ASP H1 H 37.580 20.500 23.230 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 1 . 6 . 1 1 1 ASP HA H 35.090 21.510 24.390 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 1 . 7 . 1 1 1 ASP HB2 H 37.880 22.450 24.840 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 1 . 8 . 1 1 1 ASP HB3 H 36.460 22.630 25.890 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 1 . 9 . 1 1 1 ASP N N 36.590 20.690 23.160 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 1 . 10 . 1 1 1 ASP O O 35.040 23.840 23.600 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 1 . 11 . 1 1 1 ASP OD1 O 38.120 19.950 25.430 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 1 . 12 . 1 1 1 ASP OD2 O 37.000 20.560 27.180 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 1 . 13 . 1 1 2 ASP C C 35.220 23.490 20.020 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 1 . 14 . 1 1 2 ASP CA C 36.250 24.120 20.940 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 1 . 15 . 1 1 2 ASP CB C 37.530 24.410 20.160 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 1 . 16 . 1 1 2 ASP CG C 37.430 25.550 19.160 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 1 . 17 . 1 1 2 ASP H H 37.260 22.500 21.830 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 1 . 18 . 1 1 2 ASP HA H 35.870 25.000 21.450 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 1 . 19 . 1 1 2 ASP HB2 H 38.400 24.580 20.800 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 1 . 20 . 1 1 2 ASP HB3 H 37.740 23.510 19.590 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 1 . 21 . 1 1 2 ASP N N 36.570 23.210 22.020 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 1 . 22 . 1 1 2 ASP O O 35.410 22.370 19.570 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 1 . 23 . 1 1 2 ASP OD1 O 36.400 26.220 18.970 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 1 . 24 . 1 1 2 ASP OD2 O 38.520 25.880 18.640 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 1 . 25 . 1 1 3 PRO C C 33.770 23.790 17.320 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 1 . 26 . 1 1 3 PRO CA C 33.210 23.840 18.730 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 1 . 27 . 1 1 3 PRO CB C 31.980 24.750 18.820 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 1 . 28 . 1 1 3 PRO CD C 33.690 25.500 20.320 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 1 . 29 . 1 1 3 PRO CG C 32.660 26.020 19.320 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 1 . 30 . 1 1 3 PRO HA H 32.870 22.830 18.960 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 1 . 31 . 1 1 3 PRO HB2 H 31.440 24.840 17.880 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 1 . 32 . 1 1 3 PRO HB3 H 31.320 24.300 19.560 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 1 . 33 . 1 1 3 PRO HD2 H 34.440 26.290 20.430 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 1 . 34 . 1 1 3 PRO HD3 H 33.140 25.400 21.250 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 1 . 35 . 1 1 3 PRO HG2 H 33.190 26.440 18.470 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 1 . 36 . 1 1 3 PRO HG3 H 31.980 26.740 19.770 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 1 . 37 . 1 1 3 PRO N N 34.140 24.250 19.760 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 1 . 38 . 1 1 3 PRO O O 33.240 23.140 16.420 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 1 . 39 . 1 1 4 THR C C 35.860 23.610 15.110 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 1 . 40 . 1 1 4 THR CA C 35.340 24.910 15.720 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 1 . 41 . 1 1 4 THR CB C 36.430 25.970 15.630 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 1 . 42 . 1 1 4 THR CG2 C 36.450 26.470 14.190 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 1 . 43 . 1 1 4 THR H H 35.260 25.120 17.750 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 1 . 44 . 1 1 4 THR HA H 34.520 25.170 15.050 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 1 . 45 . 1 1 4 THR HB H 37.410 25.580 15.900 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 1 . 46 . 1 1 4 THR HG1 H 36.310 26.730 17.340 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 1 . 47 . 1 1 4 THR HG21 H 37.140 27.320 14.180 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 1 . 48 . 1 1 4 THR HG22 H 35.550 26.680 13.610 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 1 . 49 . 1 1 4 THR HG23 H 36.910 25.740 13.540 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 1 . 50 . 1 1 4 THR N N 34.810 24.580 17.030 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 1 . 51 . 1 1 4 THR O O 36.780 23.110 15.750 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 1 . 52 . 1 1 4 THR OG1 O 36.190 27.090 16.460 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 1 . 53 . 1 1 5 DPR C C 35.310 20.560 14.320 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 1 . 54 . 1 1 5 DPR CA C 35.620 21.800 13.490 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 1 . 55 . 1 1 5 DPR CB C 34.940 21.780 12.130 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 1 . 56 . 1 1 5 DPR CD C 34.130 23.650 13.330 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 1 . 57 . 1 1 5 DPR CG C 33.690 22.650 12.260 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 1 . 58 . 1 1 5 DPR HA H 36.710 21.720 13.400 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 1 . 59 . 1 1 5 DPR HB2 H 35.530 22.310 11.380 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 1 . 60 . 1 1 5 DPR HB3 H 34.760 20.770 11.750 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 1 . 61 . 1 1 5 DPR HD2 H 34.540 24.510 12.810 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 1 . 62 . 1 1 5 DPR HD3 H 33.290 23.960 13.960 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 1 . 63 . 1 1 5 DPR HG2 H 33.560 23.140 11.290 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 1 . 64 . 1 1 5 DPR HG3 H 32.830 22.070 12.570 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 1 . 65 . 1 1 5 DPR N N 35.250 23.080 14.060 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 1 . 66 . 1 1 5 DPR O O 35.820 19.490 14.020 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 1 . 67 . 1 1 6 . C C 35.650 18.970 16.930 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 1 . 68 . 1 1 6 . CA C 34.390 19.550 16.310 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 1 . 69 . 1 1 6 . CB C 33.470 20.130 17.380 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 1 . 70 . 1 1 6 . CD C 31.950 19.320 19.320 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 1 . 71 . 1 1 6 . CG C 33.030 18.980 18.290 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 1 . 72 . 1 1 6 . CZ C 31.540 21.320 20.700 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 1 . 73 . 1 1 6 . H H 34.210 21.580 15.720 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 1 . 74 . 1 1 6 . HA H 33.850 18.740 15.820 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 1 . 75 . 1 1 6 . HB2 H 33.940 20.960 17.920 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 1 . 76 . 1 1 6 . HB3 H 32.580 20.580 16.950 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 1 . 77 . 1 1 6 . HD2 H 31.080 19.690 18.780 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 1 . 78 . 1 1 6 . HD3 H 31.640 18.440 19.870 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 1 . 79 . 1 1 6 . HE H 33.200 20.210 20.800 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 1 . 80 . 1 1 6 . HG2 H 32.740 18.080 17.750 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 1 . 81 . 1 1 6 . HG3 H 33.880 18.730 18.920 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 1 . 82 . 1 1 6 . HH11 H 32.920 22.120 21.990 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 1 . 83 . 1 1 6 . HH12 H 31.450 22.890 22.020 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 1 . 84 . 1 1 6 . HH21 H 29.910 20.810 19.640 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 1 . 85 . 1 1 6 . HH22 H 29.680 22.190 20.720 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 1 . 86 . 1 1 6 . N N 34.590 20.690 15.440 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 1 . 87 . 1 1 6 . NE N 32.370 20.370 20.250 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 1 . 88 . 1 1 6 . NH1 N 32.040 22.250 21.520 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 1 . 89 . 1 1 6 . NH2 N 30.280 21.510 20.270 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 1 . 90 . 1 1 6 . O O 35.740 17.810 17.330 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 1 . 91 . 1 1 7 GLN C C 37.600 18.910 19.260 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 1 . 92 . 1 1 7 GLN CA C 37.830 19.470 17.860 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 1 . 93 . 1 1 7 GLN CB C 38.780 20.670 17.900 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 1 . 94 . 1 1 7 GLN CD C 40.160 22.360 16.700 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 1 . 95 . 1 1 7 GLN CG C 39.450 21.020 16.580 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 1 . 96 . 1 1 7 GLN H H 36.330 20.830 17.090 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 1 . 97 . 1 1 7 GLN HA H 38.310 18.740 17.210 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 1 . 98 . 1 1 7 GLN HB2 H 38.330 21.560 18.340 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 1 . 99 . 1 1 7 GLN HB3 H 39.620 20.380 18.530 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 1 . 100 . 1 1 7 GLN HE21 H 38.490 23.250 16.060 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 1 . 101 . 1 1 7 GLN HE22 H 39.790 24.340 16.650 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 1 . 102 . 1 1 7 GLN HG2 H 40.160 20.290 16.200 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 1 . 103 . 1 1 7 GLN HG3 H 38.710 21.070 15.780 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 1 . 104 . 1 1 7 GLN N N 36.580 19.870 17.260 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 1 . 105 . 1 1 7 GLN NE2 N 39.400 23.430 16.440 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 1 . 106 . 1 1 7 GLN O O 38.430 18.110 19.690 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 1 . 107 . 1 1 7 GLN OE1 O 41.300 22.440 17.150 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 1 . 108 . 1 1 8 . C C 35.830 20.100 22.240 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 1 . 109 . 1 1 8 . CA C 36.430 18.950 21.450 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 1 . 110 . 1 1 8 . CB C 35.510 17.730 21.470 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 1 . 111 . 1 1 8 . CD C 33.760 17.830 23.300 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 1 . 112 . 1 1 8 . CG C 35.070 17.200 22.830 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 1 . 113 . 1 1 8 . H H 36.180 20.200 19.740 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 1 . 114 . 1 1 8 . HA H 37.400 18.790 21.910 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 1 . 115 . 1 1 8 . HB2 H 34.640 18.010 20.880 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 1 . 116 . 1 1 8 . HB3 H 36.060 16.940 20.960 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 1 . 117 . 1 1 8 . HE21 H 32.810 17.030 21.760 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 1 . 118 . 1 1 8 . HE22 H 31.810 17.950 22.890 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 1 . 119 . 1 1 8 . HG2 H 34.930 16.120 22.820 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 1 . 120 . 1 1 8 . HG3 H 35.850 17.460 23.550 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 1 . 121 . 1 1 8 . N N 36.640 19.370 20.080 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 1 . 122 . 1 1 8 . NE2 N 32.710 17.720 22.480 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 1 . 123 . 1 1 8 . O O 34.650 20.400 22.110 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 1 . 124 . 1 1 8 . OE1 O 33.680 18.320 24.420 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 2 . 125 . 1 1 1 ASP C C 35.909 22.932 23.099 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 2 . 126 . 1 1 1 ASP CA C 36.023 21.700 23.988 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 2 . 127 . 1 1 1 ASP CB C 36.980 22.061 25.113 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 2 . 128 . 1 1 1 ASP CG C 37.019 20.992 26.198 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 2 . 129 . 1 1 1 ASP H1 H 37.251 19.959 23.500 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 2 . 130 . 1 1 1 ASP HA H 35.082 21.511 24.519 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 2 . 131 . 1 1 1 ASP HB2 H 37.992 22.303 24.794 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 2 . 132 . 1 1 1 ASP HB3 H 36.743 23.020 25.572 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 2 . 133 . 1 1 1 ASP N N 36.446 20.524 23.257 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 2 . 134 . 1 1 1 ASP O O 35.189 23.839 23.510 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 2 . 135 . 1 1 1 ASP OD1 O 38.021 20.248 26.264 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 2 . 136 . 1 1 1 ASP OD2 O 36.116 20.948 27.060 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 2 . 137 . 1 1 2 ASP C C 35.143 23.575 19.984 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 2 . 138 . 1 1 2 ASP CA C 36.234 24.090 20.909 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 2 . 139 . 1 1 2 ASP CB C 37.502 24.335 20.105 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 2 . 140 . 1 1 2 ASP CG C 37.329 25.363 19.003 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 2 . 141 . 1 1 2 ASP H H 37.053 22.320 21.533 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 2 . 142 . 1 1 2 ASP HA H 35.950 25.060 21.306 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 2 . 143 . 1 1 2 ASP HB2 H 38.243 24.632 20.851 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 2 . 144 . 1 1 2 ASP HB3 H 37.859 23.374 19.745 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 2 . 145 . 1 1 2 ASP N N 36.502 23.064 21.907 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 2 . 146 . 1 1 2 ASP O O 35.297 22.538 19.335 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 2 . 147 . 1 1 2 ASP OD1 O 36.310 26.083 18.859 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 2 . 148 . 1 1 2 ASP OD2 O 38.318 25.602 18.272 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 2 . 149 . 1 1 3 PRO C C 33.637 24.015 17.234 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 2 . 150 . 1 1 3 PRO CA C 33.101 24.009 18.662 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 2 . 151 . 1 1 3 PRO CB C 31.946 25.001 18.823 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 2 . 152 . 1 1 3 PRO CD C 33.517 25.306 20.613 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 2 . 153 . 1 1 3 PRO CG C 32.022 25.386 20.300 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 2 . 154 . 1 1 3 PRO HA H 32.611 23.045 18.842 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 2 . 155 . 1 1 3 PRO HB2 H 32.040 25.919 18.256 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 2 . 156 . 1 1 3 PRO HB3 H 30.989 24.587 18.513 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 2 . 157 . 1 1 3 PRO HD2 H 33.943 26.288 20.424 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 2 . 158 . 1 1 3 PRO HD3 H 33.566 25.018 21.660 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 2 . 159 . 1 1 3 PRO HG2 H 31.694 26.424 20.389 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 2 . 160 . 1 1 3 PRO HG3 H 31.464 24.681 20.913 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 2 . 161 . 1 1 3 PRO N N 34.033 24.274 19.730 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 2 . 162 . 1 1 3 PRO O O 32.998 23.477 16.340 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 2 . 163 . 1 1 4 THR C C 35.829 23.496 15.087 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 2 . 164 . 1 1 4 THR CA C 35.299 24.806 15.647 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 2 . 165 . 1 1 4 THR CB C 36.327 25.929 15.625 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 2 . 166 . 1 1 4 THR CG2 C 36.687 26.410 14.224 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 2 . 167 . 1 1 4 THR H H 35.395 24.662 17.831 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 2 . 168 . 1 1 4 THR HA H 34.512 25.218 15.017 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 2 . 169 . 1 1 4 THR HB H 37.231 25.609 16.125 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 2 . 170 . 1 1 4 THR HG1 H 35.858 26.699 17.303 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 2 . 171 . 1 1 4 THR HG21 H 37.485 27.138 14.302 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 2 . 172 . 1 1 4 THR HG22 H 35.753 26.704 13.740 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 2 . 173 . 1 1 4 THR HG23 H 37.099 25.533 13.716 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 2 . 174 . 1 1 4 THR N N 34.842 24.541 16.997 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 2 . 175 . 1 1 4 THR O O 36.800 22.941 15.600 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 2 . 176 . 1 1 4 THR OG1 O 35.832 26.996 16.390 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 2 . 177 . 1 1 5 DPR C C 35.520 20.628 14.357 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 2 . 178 . 1 1 5 DPR CA C 35.650 21.786 13.369 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 2 . 179 . 1 1 5 DPR CB C 34.848 21.663 12.072 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 2 . 180 . 1 1 5 DPR CD C 34.111 23.537 13.252 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 2 . 181 . 1 1 5 DPR CG C 33.548 22.377 12.451 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 2 . 182 . 1 1 5 DPR HA H 36.699 21.773 13.063 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 2 . 183 . 1 1 5 DPR HB2 H 35.284 22.113 11.179 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 2 . 184 . 1 1 5 DPR HB3 H 34.801 20.608 11.831 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 2 . 185 . 1 1 5 DPR HD2 H 34.334 24.351 12.569 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 2 . 186 . 1 1 5 DPR HD3 H 33.411 23.960 13.983 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 2 . 187 . 1 1 5 DPR HG2 H 33.067 22.816 11.573 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 2 . 188 . 1 1 5 DPR HG3 H 32.956 21.685 13.059 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 2 . 189 . 1 1 5 DPR N N 35.278 23.055 13.948 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 2 . 190 . 1 1 5 DPR O O 36.202 19.629 14.116 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 2 . 191 . 1 1 6 . C C 35.692 19.427 17.179 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 2 . 192 . 1 1 6 . CA C 34.411 19.773 16.440 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 2 . 193 . 1 1 6 . CB C 33.374 20.311 17.421 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 2 . 194 . 1 1 6 . CD C 31.839 19.773 19.311 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 2 . 195 . 1 1 6 . CG C 32.939 19.224 18.397 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 2 . 196 . 1 1 6 . CZ C 31.595 21.371 21.167 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 2 . 197 . 1 1 6 . H H 34.157 21.584 15.487 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 2 . 198 . 1 1 6 . HA H 33.983 18.870 16.011 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 2 . 199 . 1 1 6 . HB2 H 33.773 21.157 17.997 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 2 . 200 . 1 1 6 . HB3 H 32.487 20.538 16.833 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 2 . 201 . 1 1 6 . HD2 H 31.154 20.405 18.741 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 2 . 202 . 1 1 6 . HD3 H 31.192 18.998 19.694 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 2 . 203 . 1 1 6 . HE H 33.259 20.291 20.839 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 2 . 204 . 1 1 6 . HG2 H 32.686 18.397 17.747 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 2 . 205 . 1 1 6 . HG3 H 33.833 18.945 18.964 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 2 . 206 . 1 1 6 . HH11 H 33.156 21.392 22.373 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 2 . 207 . 1 1 6 . HH12 H 31.832 22.341 22.993 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 2 . 208 . 1 1 6 . HH21 H 29.876 21.397 20.075 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 2 . 209 . 1 1 6 . HH22 H 29.857 22.318 21.568 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 2 . 210 . 1 1 6 . N N 34.663 20.726 15.375 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 2 . 211 . 1 1 6 . NE N 32.330 20.484 20.488 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 2 . 212 . 1 1 6 . NH1 N 32.276 21.861 22.207 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 2 . 213 . 1 1 6 . NH2 N 30.366 21.813 20.845 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 2 . 214 . 1 1 6 . O O 35.967 18.248 17.396 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 2 . 215 . 1 1 7 GLN C C 37.569 20.138 19.725 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 2 . 216 . 1 1 7 GLN CA C 37.726 20.183 18.213 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 2 . 217 . 1 1 7 GLN CB C 38.750 21.168 17.666 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 2 . 218 . 1 1 7 GLN CD C 40.200 22.047 15.782 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 2 . 219 . 1 1 7 GLN CG C 39.246 20.943 16.246 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 2 . 220 . 1 1 7 GLN H H 36.080 21.408 17.600 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 2 . 221 . 1 1 7 GLN HA H 38.128 19.224 17.883 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 2 . 222 . 1 1 7 GLN HB2 H 38.389 22.168 17.929 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 2 . 223 . 1 1 7 GLN HB3 H 39.608 21.192 18.327 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 2 . 224 . 1 1 7 GLN HE21 H 38.605 23.289 15.274 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 2 . 225 . 1 1 7 GLN HE22 H 40.093 24.041 15.252 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 2 . 226 . 1 1 7 GLN HG2 H 39.721 19.986 16.045 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 2 . 227 . 1 1 7 GLN HG3 H 38.420 20.926 15.542 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 2 . 228 . 1 1 7 GLN N N 36.418 20.453 17.631 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 2 . 229 . 1 1 7 GLN NE2 N 39.600 23.171 15.390 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 2 . 230 . 1 1 7 GLN O O 38.013 20.979 20.496 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 2 . 231 . 1 1 7 GLN OE1 O 41.411 22.038 15.963 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 2 . 232 . 1 1 8 . C C 35.802 19.901 22.267 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 2 . 233 . 1 1 8 . CA C 36.571 18.786 21.575 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 2 . 234 . 1 1 8 . CB C 35.866 17.429 21.536 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 2 . 235 . 1 1 8 . CD C 34.042 17.502 23.333 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 2 . 236 . 1 1 8 . CG C 35.379 16.917 22.899 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 2 . 237 . 1 1 8 . H H 36.480 18.508 19.481 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 2 . 238 . 1 1 8 . HA H 37.546 18.686 22.049 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 2 . 239 . 1 1 8 . HB2 H 35.011 17.509 20.886 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 2 . 240 . 1 1 8 . HB3 H 36.552 16.727 21.067 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 2 . 241 . 1 1 8 . HE21 H 34.783 18.140 25.118 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 2 . 242 . 1 1 8 . HE22 H 33.050 18.241 24.956 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 2 . 243 . 1 1 8 . HG2 H 35.302 15.828 22.952 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 2 . 244 . 1 1 8 . HG3 H 36.128 17.148 23.656 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 2 . 245 . 1 1 8 . N N 36.852 19.111 20.190 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 2 . 246 . 1 1 8 . NE2 N 33.952 17.963 24.574 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 2 . 247 . 1 1 8 . O O 34.665 20.272 21.999 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 2 . 248 . 1 1 8 . OE1 O 33.058 17.495 22.592 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 3 . 249 . 1 1 1 ASP C C 35.924 23.029 23.026 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 3 . 250 . 1 1 1 ASP CA C 35.976 21.797 23.911 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 3 . 251 . 1 1 1 ASP CB C 36.899 22.114 25.084 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 3 . 252 . 1 1 1 ASP CG C 37.207 20.957 26.020 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 3 . 253 . 1 1 1 ASP H1 H 37.038 20.779 22.370 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 3 . 254 . 1 1 1 ASP HA H 35.016 21.597 24.395 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 3 . 255 . 1 1 1 ASP HB2 H 37.846 22.565 24.776 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 3 . 256 . 1 1 1 ASP HB3 H 36.431 22.886 25.689 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 3 . 257 . 1 1 1 ASP N N 36.467 20.642 23.186 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 3 . 258 . 1 1 1 ASP O O 35.101 23.900 23.312 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 3 . 259 . 1 1 1 ASP OD1 O 38.062 20.109 25.689 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 3 . 260 . 1 1 1 ASP OD2 O 36.709 20.996 27.166 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 3 . 261 . 1 1 2 ASP C C 35.469 23.536 19.922 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 3 . 262 . 1 1 2 ASP CA C 36.428 24.168 20.921 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 3 . 263 . 1 1 2 ASP CB C 37.817 24.471 20.367 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 3 . 264 . 1 1 2 ASP CG C 37.820 25.514 19.268 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 3 . 265 . 1 1 2 ASP H H 37.455 22.536 21.800 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 3 . 266 . 1 1 2 ASP HA H 36.015 25.055 21.416 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 3 . 267 . 1 1 2 ASP HB2 H 38.458 24.776 21.191 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 3 . 268 . 1 1 2 ASP HB3 H 38.326 23.657 19.856 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 3 . 269 . 1 1 2 ASP N N 36.698 23.193 21.952 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 3 . 270 . 1 1 2 ASP O O 35.724 22.522 19.292 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 3 . 271 . 1 1 2 ASP OD1 O 38.907 26.014 18.912 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 3 . 272 . 1 1 2 ASP OD2 O 36.722 25.916 18.818 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 3 . 273 . 1 1 3 PRO C C 33.905 23.737 17.301 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 3 . 274 . 1 1 3 PRO CA C 33.349 23.583 18.711 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 3 . 275 . 1 1 3 PRO CB C 32.074 24.356 19.022 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 3 . 276 . 1 1 3 PRO CD C 33.857 25.426 20.110 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 3 . 277 . 1 1 3 PRO CG C 32.631 25.758 19.266 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 3 . 278 . 1 1 3 PRO HA H 33.171 22.517 18.898 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 3 . 279 . 1 1 3 PRO HB2 H 31.373 24.410 18.199 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 3 . 280 . 1 1 3 PRO HB3 H 31.578 23.961 19.911 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 3 . 281 . 1 1 3 PRO HD2 H 34.693 26.100 19.915 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 3 . 282 . 1 1 3 PRO HD3 H 33.551 25.422 21.159 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 3 . 283 . 1 1 3 PRO HG2 H 32.837 26.303 18.350 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 3 . 284 . 1 1 3 PRO HG3 H 31.959 26.410 19.823 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 3 . 285 . 1 1 3 PRO N N 34.270 24.093 19.701 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 3 . 286 . 1 1 3 PRO O O 33.522 22.929 16.461 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 3 . 287 . 1 1 4 THR C C 35.763 23.659 15.083 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 3 . 288 . 1 1 4 THR CA C 35.244 24.941 15.712 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 3 . 289 . 1 1 4 THR CB C 36.213 26.101 15.479 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 3 . 290 . 1 1 4 THR CG2 C 36.073 26.889 14.181 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 3 . 291 . 1 1 4 THR H H 35.331 25.168 17.767 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 3 . 292 . 1 1 4 THR HA H 34.339 25.294 15.211 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 3 . 293 . 1 1 4 THR HB H 37.242 25.750 15.543 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 3 . 294 . 1 1 4 THR HG1 H 36.334 26.593 17.214 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 3 . 295 . 1 1 4 THR HG21 H 35.902 26.216 13.342 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 3 . 296 . 1 1 4 THR HG22 H 37.028 27.422 14.147 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 3 . 297 . 1 1 4 THR HG23 H 35.207 27.558 14.279 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 3 . 298 . 1 1 4 THR N N 34.776 24.716 17.061 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 3 . 299 . 1 1 4 THR O O 36.742 23.147 15.608 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 3 . 300 . 1 1 4 THR OG1 O 35.978 27.076 16.467 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 3 . 301 . 1 1 5 DPR C C 35.471 20.642 14.284 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 3 . 302 . 1 1 5 DPR CA C 35.620 21.874 13.396 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 3 . 303 . 1 1 5 DPR CB C 34.794 21.685 12.129 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 3 . 304 . 1 1 5 DPR CD C 34.161 23.696 13.166 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 3 . 305 . 1 1 5 DPR CG C 33.553 22.528 12.410 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 3 . 306 . 1 1 5 DPR HA H 36.653 21.984 13.055 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 3 . 307 . 1 1 5 DPR HB2 H 35.286 21.950 11.186 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 3 . 308 . 1 1 5 DPR HB3 H 34.353 20.699 11.975 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 3 . 309 . 1 1 5 DPR HD2 H 34.750 24.371 12.536 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 3 . 310 . 1 1 5 DPR HD3 H 33.301 24.082 13.700 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 3 . 311 . 1 1 5 DPR HG2 H 33.179 22.879 11.449 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 3 . 312 . 1 1 5 DPR HG3 H 32.738 21.998 12.916 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 3 . 313 . 1 1 5 DPR N N 35.174 23.099 14.024 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 3 . 314 . 1 1 5 DPR O O 36.005 19.635 13.848 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 3 . 315 . 1 1 6 . C C 35.543 18.998 17.031 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 3 . 316 . 1 1 6 . CA C 34.372 19.598 16.261 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 3 . 317 . 1 1 6 . CB C 33.290 20.013 17.249 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 3 . 318 . 1 1 6 . CD C 31.667 19.097 19.045 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 3 . 319 . 1 1 6 . CG C 32.702 18.796 17.967 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 3 . 320 . 1 1 6 . CZ C 31.586 20.864 20.731 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 3 . 321 . 1 1 6 . H H 34.406 21.618 15.657 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 3 . 322 . 1 1 6 . HA H 33.934 18.816 15.650 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 3 . 323 . 1 1 6 . HB2 H 33.666 20.759 17.952 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 3 . 324 . 1 1 6 . HB3 H 32.448 20.333 16.642 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 3 . 325 . 1 1 6 . HD2 H 30.815 19.598 18.566 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 3 . 326 . 1 1 6 . HD3 H 31.265 18.160 19.435 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 3 . 327 . 1 1 6 . HE H 33.214 19.623 20.375 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 3 . 328 . 1 1 6 . HG2 H 32.126 18.151 17.313 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 3 . 329 . 1 1 6 . HG3 H 33.484 18.128 18.321 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 3 . 330 . 1 1 6 . HH11 H 32.958 21.131 22.152 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 3 . 331 . 1 1 6 . HH12 H 31.617 22.237 22.315 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 3 . 332 . 1 1 6 . HH21 H 29.981 21.091 19.416 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 3 . 333 . 1 1 6 . HH22 H 29.867 21.918 20.894 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 3 . 334 . 1 1 6 . N N 34.740 20.704 15.399 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 3 . 335 . 1 1 6 . NE N 32.268 19.880 20.126 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 3 . 336 . 1 1 6 . NH1 N 32.099 21.513 21.790 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 3 . 337 . 1 1 6 . NH2 N 30.363 21.234 20.339 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 3 . 338 . 1 1 6 . O O 35.630 17.794 17.179 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 3 . 339 . 1 1 7 GLN C C 37.709 19.156 19.467 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 3 . 340 . 1 1 7 GLN CA C 37.701 19.550 17.998 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 3 . 341 . 1 1 7 GLN CB C 38.640 20.703 17.660 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 3 . 342 . 1 1 7 GLN CD C 40.023 22.201 16.195 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 3 . 343 . 1 1 7 GLN CG C 39.082 21.005 16.233 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 3 . 344 . 1 1 7 GLN H H 36.166 20.891 17.371 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 3 . 345 . 1 1 7 GLN HA H 37.977 18.615 17.514 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 3 . 346 . 1 1 7 GLN HB2 H 38.144 21.547 18.138 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 3 . 347 . 1 1 7 GLN HB3 H 39.534 20.392 18.193 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 3 . 348 . 1 1 7 GLN HE21 H 38.523 23.529 15.807 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 3 . 349 . 1 1 7 GLN HE22 H 40.101 24.214 16.113 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 3 . 350 . 1 1 7 GLN HG2 H 39.600 20.185 15.738 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 3 . 351 . 1 1 7 GLN HG3 H 38.222 21.261 15.602 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 3 . 352 . 1 1 7 GLN N N 36.402 19.921 17.481 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 3 . 353 . 1 1 7 GLN NE2 N 39.519 23.406 15.919 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 3 . 354 . 1 1 7 GLN O O 38.693 18.604 19.952 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 3 . 355 . 1 1 7 GLN OE1 O 41.240 22.139 16.373 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 3 . 356 . 1 1 8 . C C 35.742 20.092 22.217 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 3 . 357 . 1 1 8 . CA C 36.431 18.910 21.541 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 3 . 358 . 1 1 8 . CB C 35.687 17.586 21.653 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 3 . 359 . 1 1 8 . CD C 35.993 15.120 21.905 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 3 . 360 . 1 1 8 . CG C 36.632 16.412 21.411 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 3 . 361 . 1 1 8 . H H 35.836 19.882 19.770 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 3 . 362 . 1 1 8 . HA H 37.423 18.842 21.984 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 3 . 363 . 1 1 8 . HB2 H 35.260 17.520 22.652 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 3 . 364 . 1 1 8 . HB3 H 34.913 17.553 20.889 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 3 . 365 . 1 1 8 . HE21 H 37.464 13.986 21.136 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 3 . 366 . 1 1 8 . HE22 H 36.153 13.173 22.069 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 3 . 367 . 1 1 8 . HG2 H 36.736 16.223 20.347 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 3 . 368 . 1 1 8 . HG3 H 37.567 16.565 21.961 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 3 . 369 . 1 1 8 . N N 36.564 19.294 20.145 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 3 . 370 . 1 1 8 . NE2 N 36.655 13.982 21.735 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 3 . 371 . 1 1 8 . O O 34.637 20.529 21.891 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 3 . 372 . 1 1 8 . OE1 O 34.930 15.051 22.526 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 4 . 373 . 1 1 1 ASP C C 35.938 22.941 23.063 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 4 . 374 . 1 1 1 ASP CA C 36.304 21.622 23.731 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 4 . 375 . 1 1 1 ASP CB C 37.175 21.804 24.961 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 4 . 376 . 1 1 1 ASP CG C 37.591 20.559 25.738 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 4 . 377 . 1 1 1 ASP H1 H 37.370 20.544 22.236 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 4 . 378 . 1 1 1 ASP HA H 35.349 21.286 24.149 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 4 . 379 . 1 1 1 ASP HB2 H 38.087 22.317 24.647 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 4 . 380 . 1 1 1 ASP HB3 H 36.750 22.533 25.658 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 4 . 381 . 1 1 1 ASP N N 36.737 20.442 23.014 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 4 . 382 . 1 1 1 ASP O O 35.349 23.864 23.627 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 4 . 383 . 1 1 1 ASP OD1 O 36.724 19.924 26.368 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 4 . 384 . 1 1 1 ASP OD2 O 38.787 20.218 25.806 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 4 . 385 . 1 1 2 ASP C C 34.900 23.659 19.868 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 4 . 386 . 1 1 2 ASP CA C 35.965 24.090 20.853 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 4 . 387 . 1 1 2 ASP CB C 37.279 24.558 20.238 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 4 . 388 . 1 1 2 ASP CG C 37.313 26.011 19.779 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 4 . 389 . 1 1 2 ASP H H 36.535 22.133 21.315 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 4 . 390 . 1 1 2 ASP HA H 35.606 24.927 21.450 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 4 . 391 . 1 1 2 ASP HB2 H 38.085 24.444 20.970 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 4 . 392 . 1 1 2 ASP HB3 H 37.482 23.907 19.388 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 4 . 393 . 1 1 2 ASP N N 36.210 22.977 21.753 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 4 . 394 . 1 1 2 ASP O O 35.016 22.556 19.320 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 4 . 395 . 1 1 2 ASP OD1 O 38.082 26.805 20.365 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 4 . 396 . 1 1 2 ASP OD2 O 36.576 26.328 18.820 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 4 . 397 . 1 1 3 PRO C C 33.553 24.195 17.146 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 4 . 398 . 1 1 3 PRO CA C 32.929 24.251 18.530 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 4 . 399 . 1 1 3 PRO CB C 31.871 25.342 18.661 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 4 . 400 . 1 1 3 PRO CD C 33.632 25.713 20.316 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 4 . 401 . 1 1 3 PRO CG C 32.575 26.429 19.471 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 4 . 402 . 1 1 3 PRO HA H 32.388 23.329 18.745 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 4 . 403 . 1 1 3 PRO HB2 H 31.577 25.730 17.696 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 4 . 404 . 1 1 3 PRO HB3 H 31.073 24.902 19.262 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 4 . 405 . 1 1 3 PRO HD2 H 34.531 26.322 20.382 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 4 . 406 . 1 1 3 PRO HD3 H 33.257 25.467 21.313 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 4 . 407 . 1 1 3 PRO HG2 H 33.049 27.142 18.799 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 4 . 408 . 1 1 3 PRO HG3 H 31.847 26.977 20.074 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 4 . 409 . 1 1 3 PRO N N 33.882 24.475 19.594 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 4 . 410 . 1 1 3 PRO O O 33.040 23.481 16.273 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 4 . 411 . 1 1 4 THR C C 35.855 23.455 15.228 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 4 . 412 . 1 1 4 THR CA C 35.480 24.858 15.675 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 4 . 413 . 1 1 4 THR CB C 36.765 25.672 15.742 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 4 . 414 . 1 1 4 THR CG2 C 37.307 25.792 14.321 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 4 . 415 . 1 1 4 THR H H 35.092 25.273 17.706 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 4 . 416 . 1 1 4 THR HA H 34.758 25.349 15.020 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 4 . 417 . 1 1 4 THR HB H 37.521 25.125 16.302 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 4 . 418 . 1 1 4 THR HG1 H 36.490 26.883 17.209 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 4 . 419 . 1 1 4 THR HG21 H 37.726 24.853 13.977 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 4 . 420 . 1 1 4 THR HG22 H 38.086 26.557 14.249 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 4 . 421 . 1 1 4 THR HG23 H 36.446 26.043 13.700 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 4 . 422 . 1 1 4 THR N N 34.750 24.732 16.925 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 4 . 423 . 1 1 4 THR O O 36.694 22.834 15.876 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 4 . 424 . 1 1 4 THR OG1 O 36.510 26.954 16.248 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 4 . 425 . 1 1 5 DPR C C 35.284 20.569 14.422 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 4 . 426 . 1 1 5 DPR CA C 35.748 21.713 13.543 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 4 . 427 . 1 1 5 DPR CB C 35.261 21.704 12.091 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 4 . 428 . 1 1 5 DPR CD C 34.359 23.672 13.254 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 4 . 429 . 1 1 5 DPR CG C 34.036 22.585 12.239 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 4 . 430 . 1 1 5 DPR HA H 36.835 21.629 13.492 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 4 . 431 . 1 1 5 DPR HB2 H 36.058 22.079 11.451 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 4 . 432 . 1 1 5 DPR HB3 H 34.996 20.712 11.729 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 4 . 433 . 1 1 5 DPR HD2 H 34.687 24.614 12.812 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 4 . 434 . 1 1 5 DPR HD3 H 33.473 23.904 13.844 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 4 . 435 . 1 1 5 DPR HG2 H 33.753 23.002 11.269 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 4 . 436 . 1 1 5 DPR HG3 H 33.262 21.951 12.676 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 4 . 437 . 1 1 5 DPR N N 35.340 23.000 14.078 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 4 . 438 . 1 1 5 DPR O O 35.699 19.461 14.079 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 4 . 439 . 1 1 6 . C C 35.513 19.187 17.158 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 4 . 440 . 1 1 6 . CA C 34.255 19.674 16.455 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 4 . 441 . 1 1 6 . CB C 33.194 20.075 17.473 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 4 . 442 . 1 1 6 . CD C 31.678 19.587 19.470 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 4 . 443 . 1 1 6 . CG C 32.657 19.032 18.441 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 4 . 444 . 1 1 6 . CZ C 32.036 21.552 21.103 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 4 . 445 . 1 1 6 . H H 34.139 21.659 15.673 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 4 . 446 . 1 1 6 . HA H 33.899 18.830 15.877 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 4 . 447 . 1 1 6 . HB2 H 33.508 20.949 18.035 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 4 . 448 . 1 1 6 . HB3 H 32.322 20.461 16.934 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 4 . 449 . 1 1 6 . HD2 H 30.888 20.097 18.914 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 4 . 450 . 1 1 6 . HD3 H 31.213 18.849 20.133 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 4 . 451 . 1 1 6 . HE H 33.260 20.081 20.739 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 4 . 452 . 1 1 6 . HG2 H 32.121 18.266 17.883 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 4 . 453 . 1 1 6 . HG3 H 33.546 18.626 18.923 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 4 . 454 . 1 1 6 . HH11 H 33.722 21.612 22.115 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 4 . 455 . 1 1 6 . HH12 H 32.404 22.785 22.636 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 4 . 456 . 1 1 6 . HH21 H 30.244 21.862 20.216 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 4 . 457 . 1 1 6 . HH22 H 30.826 23.104 21.394 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 4 . 458 . 1 1 6 . N N 34.531 20.740 15.510 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 4 . 459 . 1 1 6 . NE N 32.364 20.442 20.438 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 4 . 460 . 1 1 6 . NH1 N 32.791 22.011 22.112 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 4 . 461 . 1 1 6 . NH2 N 30.917 22.250 20.856 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 4 . 462 . 1 1 6 . O O 35.624 17.978 17.376 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 4 . 463 . 1 1 7 GLN C C 37.612 19.725 19.613 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 4 . 464 . 1 1 7 GLN CA C 37.727 19.698 18.097 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 4 . 465 . 1 1 7 GLN CB C 38.750 20.657 17.501 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 4 . 466 . 1 1 7 GLN CD C 40.005 20.984 15.290 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 4 . 467 . 1 1 7 GLN CG C 39.102 20.093 16.127 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 4 . 468 . 1 1 7 GLN H H 36.203 21.026 17.330 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 4 . 469 . 1 1 7 GLN HA H 37.945 18.663 17.816 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 4 . 470 . 1 1 7 GLN HB2 H 38.478 21.707 17.426 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 4 . 471 . 1 1 7 GLN HB3 H 39.628 20.396 18.098 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 4 . 472 . 1 1 7 GLN HE21 H 39.443 20.088 13.533 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 4 . 473 . 1 1 7 GLN HE22 H 40.580 21.413 13.404 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 4 . 474 . 1 1 7 GLN HG2 H 39.582 19.124 16.255 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 4 . 475 . 1 1 7 GLN HG3 H 38.212 19.823 15.554 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 4 . 476 . 1 1 7 GLN N N 36.435 20.067 17.573 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 4 . 477 . 1 1 7 GLN NE2 N 40.048 20.765 13.969 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 4 . 478 . 1 1 7 GLN O O 38.008 20.658 20.314 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 4 . 479 . 1 1 7 GLN OE1 O 40.666 21.951 15.663 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 4 . 480 . 1 1 8 . C C 36.017 19.739 22.142 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 4 . 481 . 1 1 8 . CA C 36.711 18.515 21.566 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 4 . 482 . 1 1 8 . CB C 35.890 17.242 21.721 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 4 . 483 . 1 1 8 . CD C 35.152 15.394 23.297 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 4 . 484 . 1 1 8 . CG C 35.536 16.866 23.162 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 4 . 485 . 1 1 8 . H H 36.609 17.954 19.552 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 4 . 486 . 1 1 8 . HA H 37.707 18.485 22.000 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 4 . 487 . 1 1 8 . HB2 H 34.995 17.346 21.124 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 4 . 488 . 1 1 8 . HB3 H 36.369 16.369 21.277 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 4 . 489 . 1 1 8 . HE21 H 36.458 15.191 24.777 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 4 . 490 . 1 1 8 . HE22 H 35.488 13.754 24.553 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 4 . 491 . 1 1 8 . HG2 H 36.369 17.097 23.826 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 4 . 492 . 1 1 8 . HG3 H 34.690 17.436 23.541 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 4 . 493 . 1 1 8 . N N 37.006 18.671 20.146 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 4 . 494 . 1 1 8 . NE2 N 35.741 14.696 24.277 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 4 . 495 . 1 1 8 . O O 34.924 20.121 21.716 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 4 . 496 . 1 1 8 . OE1 O 34.350 14.827 22.557 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 5 . 497 . 1 1 1 ASP C C 36.097 22.798 23.226 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 5 . 498 . 1 1 1 ASP CA C 36.151 21.431 23.888 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 5 . 499 . 1 1 1 ASP CB C 36.768 21.416 25.278 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 5 . 500 . 1 1 1 ASP CG C 36.846 20.012 25.859 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 5 . 501 . 1 1 1 ASP H1 H 37.540 20.116 22.860 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 5 . 502 . 1 1 1 ASP HA H 35.102 21.199 24.098 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 5 . 503 . 1 1 1 ASP HB2 H 37.783 21.818 25.213 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 5 . 504 . 1 1 1 ASP HB3 H 36.143 21.986 25.961 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 5 . 505 . 1 1 1 ASP N N 36.570 20.345 23.021 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 5 . 506 . 1 1 1 ASP O O 35.631 23.795 23.781 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 5 . 507 . 1 1 1 ASP OD1 O 35.757 19.418 26.009 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 5 . 508 . 1 1 1 ASP OD2 O 37.961 19.557 26.214 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 5 . 509 . 1 1 2 ASP C C 35.001 23.575 20.082 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 5 . 510 . 1 1 2 ASP CA C 36.092 23.973 21.059 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 5 . 511 . 1 1 2 ASP CB C 37.424 24.431 20.494 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 5 . 512 . 1 1 2 ASP CG C 37.347 25.729 19.700 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 5 . 513 . 1 1 2 ASP H H 36.879 22.070 21.535 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 5 . 514 . 1 1 2 ASP HA H 35.871 24.802 21.739 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 5 . 515 . 1 1 2 ASP HB2 H 38.184 24.538 21.266 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 5 . 516 . 1 1 2 ASP HB3 H 37.806 23.645 19.827 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 5 . 517 . 1 1 2 ASP N N 36.444 22.882 21.937 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 5 . 518 . 1 1 2 ASP O O 34.905 22.411 19.690 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 5 . 519 . 1 1 2 ASP OD1 O 37.958 26.752 20.091 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 5 . 520 . 1 1 2 ASP OD2 O 36.739 25.788 18.614 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 5 . 521 . 1 1 3 PRO C C 33.837 23.934 17.144 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 5 . 522 . 1 1 3 PRO CA C 33.255 24.324 18.496 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 5 . 523 . 1 1 3 PRO CB C 32.428 25.596 18.482 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 5 . 524 . 1 1 3 PRO CD C 33.894 25.721 20.335 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 5 . 525 . 1 1 3 PRO CG C 32.463 26.070 19.929 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 5 . 526 . 1 1 3 PRO HA H 32.555 23.519 18.715 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 5 . 527 . 1 1 3 PRO HB2 H 32.805 26.345 17.779 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 5 . 528 . 1 1 3 PRO HB3 H 31.475 25.160 18.196 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 5 . 529 . 1 1 3 PRO HD2 H 34.537 26.573 20.156 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 5 . 530 . 1 1 3 PRO HD3 H 33.810 25.618 21.417 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 5 . 531 . 1 1 3 PRO HG2 H 32.208 27.122 20.046 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 5 . 532 . 1 1 3 PRO HG3 H 31.796 25.400 20.475 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 5 . 533 . 1 1 3 PRO N N 34.186 24.519 19.586 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 5 . 534 . 1 1 3 PRO O O 33.209 23.143 16.427 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 5 . 535 . 1 1 4 THR C C 35.858 23.394 14.901 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 5 . 536 . 1 1 4 THR CA C 35.464 24.752 15.465 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 5 . 537 . 1 1 4 THR CB C 36.698 25.646 15.516 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 5 . 538 . 1 1 4 THR CG2 C 37.610 25.794 14.301 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 5 . 539 . 1 1 4 THR H H 35.454 25.021 17.568 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 5 . 540 . 1 1 4 THR HA H 34.654 25.174 14.870 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 5 . 541 . 1 1 4 THR HB H 37.317 25.477 16.395 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 5 . 542 . 1 1 4 THR HG1 H 35.998 26.983 16.633 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 5 . 543 . 1 1 4 THR HG21 H 37.014 26.231 13.499 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 5 . 544 . 1 1 4 THR HG22 H 37.952 24.799 14.051 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 5 . 545 . 1 1 4 THR HG23 H 38.445 26.451 14.548 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 5 . 546 . 1 1 4 THR N N 34.966 24.555 16.811 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 5 . 547 . 1 1 4 THR O O 36.781 22.816 15.480 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 5 . 548 . 1 1 4 THR OG1 O 36.251 26.966 15.705 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 5 . 549 . 1 1 5 DPR C C 35.249 20.430 14.435 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 5 . 550 . 1 1 5 DPR CA C 35.502 21.530 13.413 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 5 . 551 . 1 1 5 DPR CB C 34.692 21.263 12.150 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 5 . 552 . 1 1 5 DPR CD C 34.049 23.393 13.151 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 5 . 553 . 1 1 5 DPR CG C 33.514 22.209 12.357 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 5 . 554 . 1 1 5 DPR HA H 36.519 21.587 13.026 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 5 . 555 . 1 1 5 DPR HB2 H 35.280 21.583 11.289 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 5 . 556 . 1 1 5 DPR HB3 H 34.275 20.268 11.964 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 5 . 557 . 1 1 5 DPR HD2 H 34.422 24.145 12.457 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 5 . 558 . 1 1 5 DPR HD3 H 33.247 23.815 13.761 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 5 . 559 . 1 1 5 DPR HG2 H 33.063 22.513 11.411 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 5 . 560 . 1 1 5 DPR HG3 H 32.849 21.602 12.979 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 5 . 561 . 1 1 5 DPR N N 35.177 22.860 13.891 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 5 . 562 . 1 1 5 DPR O O 35.764 19.360 14.143 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 5 . 563 . 1 1 6 . C C 35.638 19.255 17.188 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 5 . 564 . 1 1 6 . CA C 34.332 19.601 16.500 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 5 . 565 . 1 1 6 . CB C 33.187 19.949 17.440 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 5 . 566 . 1 1 6 . CD C 31.842 19.417 19.565 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 5 . 567 . 1 1 6 . CG C 32.789 18.908 18.477 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 5 . 568 . 1 1 6 . CZ C 31.956 21.534 20.920 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 5 . 569 . 1 1 6 . H H 34.162 21.595 15.656 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 5 . 570 . 1 1 6 . HA H 34.094 18.749 15.871 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 5 . 571 . 1 1 6 . HB2 H 33.510 20.812 18.017 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 5 . 572 . 1 1 6 . HB3 H 32.271 20.220 16.913 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 5 . 573 . 1 1 6 . HD2 H 31.016 19.928 19.065 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 5 . 574 . 1 1 6 . HD3 H 31.421 18.578 20.121 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 5 . 575 . 1 1 6 . HE H 33.364 20.149 20.856 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 5 . 576 . 1 1 6 . HG2 H 32.326 18.087 17.921 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 5 . 577 . 1 1 6 . HG3 H 33.681 18.571 18.986 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 5 . 578 . 1 1 6 . HH11 H 33.708 22.000 21.616 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 5 . 579 . 1 1 6 . HH12 H 32.393 23.082 22.201 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 5 . 580 . 1 1 6 . HH21 H 30.069 21.315 20.263 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 5 . 581 . 1 1 6 . HH22 H 30.314 22.771 21.113 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 5 . 582 . 1 1 6 . N N 34.480 20.645 15.509 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 5 . 583 . 1 1 6 . NE N 32.434 20.356 20.513 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 5 . 584 . 1 1 6 . NH1 N 32.734 22.271 21.717 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 5 . 585 . 1 1 6 . NH2 N 30.730 21.992 20.612 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 5 . 586 . 1 1 6 . O O 35.881 18.115 17.585 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 5 . 587 . 1 1 7 GLN C C 37.544 19.990 19.689 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 5 . 588 . 1 1 7 GLN CA C 37.705 20.259 18.198 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 5 . 589 . 1 1 7 GLN CB C 38.668 21.406 17.905 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 5 . 590 . 1 1 7 GLN CD C 40.226 22.266 15.983 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 5 . 591 . 1 1 7 GLN CG C 39.423 21.133 16.608 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 5 . 592 . 1 1 7 GLN H H 36.359 21.159 16.983 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 5 . 593 . 1 1 7 GLN HA H 38.181 19.314 17.911 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 5 . 594 . 1 1 7 GLN HB2 H 38.126 22.352 17.870 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 5 . 595 . 1 1 7 GLN HB3 H 39.369 21.449 18.745 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 5 . 596 . 1 1 7 GLN HE21 H 38.578 23.296 15.537 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 5 . 597 . 1 1 7 GLN HE22 H 39.995 24.246 15.562 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 5 . 598 . 1 1 7 GLN HG2 H 40.067 20.269 16.765 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 5 . 599 . 1 1 7 GLN HG3 H 38.758 20.815 15.803 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 5 . 600 . 1 1 7 GLN N N 36.504 20.254 17.393 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 5 . 601 . 1 1 7 GLN NE2 N 39.584 23.327 15.486 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 5 . 602 . 1 1 7 GLN O O 38.038 20.708 20.554 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 5 . 603 . 1 1 7 GLN OE1 O 41.446 22.250 16.019 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 5 . 604 . 1 1 8 . C C 35.818 19.587 22.209 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 5 . 605 . 1 1 8 . CA C 36.619 18.549 21.431 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 5 . 606 . 1 1 8 . CB C 36.014 17.158 21.557 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 5 . 607 . 1 1 8 . CD C 35.635 15.168 23.080 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 5 . 608 . 1 1 8 . CG C 35.849 16.668 22.991 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 5 . 609 . 1 1 8 . H H 36.331 18.484 19.272 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 5 . 610 . 1 1 8 . HA H 37.597 18.518 21.913 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 5 . 611 . 1 1 8 . HB2 H 35.041 17.084 21.083 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 5 . 612 . 1 1 8 . HB3 H 36.616 16.465 20.966 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 5 . 613 . 1 1 8 . HE21 H 36.361 15.138 24.956 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 5 . 614 . 1 1 8 . HE22 H 35.725 13.584 24.291 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 5 . 615 . 1 1 8 . HG2 H 36.829 16.874 23.433 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 5 . 616 . 1 1 8 . HG3 H 35.140 17.273 23.563 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 5 . 617 . 1 1 8 . N N 36.825 18.923 20.039 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 5 . 618 . 1 1 8 . NE2 N 35.963 14.561 24.229 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 5 . 619 . 1 1 8 . O O 34.603 19.681 22.201 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 5 . 620 . 1 1 8 . OE1 O 35.104 14.540 22.160 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 6 . 621 . 1 1 1 ASP C C 35.761 22.890 22.976 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 6 . 622 . 1 1 1 ASP CA C 36.038 21.721 23.918 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 6 . 623 . 1 1 1 ASP CB C 37.036 22.094 25.006 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 6 . 624 . 1 1 1 ASP CG C 37.553 20.976 25.910 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 6 . 625 . 1 1 1 ASP H1 H 37.489 20.545 22.858 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 6 . 626 . 1 1 1 ASP HA H 35.065 21.513 24.351 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 6 . 627 . 1 1 1 ASP HB2 H 37.910 22.494 24.486 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 6 . 628 . 1 1 1 ASP HB3 H 36.681 22.884 25.668 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 6 . 629 . 1 1 1 ASP N N 36.545 20.569 23.198 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 6 . 630 . 1 1 1 ASP O O 34.894 23.681 23.313 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 6 . 631 . 1 1 1 ASP OD1 O 36.848 20.729 26.916 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 6 . 632 . 1 1 1 ASP OD2 O 38.556 20.320 25.579 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 6 . 633 . 1 1 2 ASP C C 35.153 23.579 19.864 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 6 . 634 . 1 1 2 ASP CA C 36.228 24.006 20.846 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 6 . 635 . 1 1 2 ASP CB C 37.645 24.194 20.309 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 6 . 636 . 1 1 2 ASP CG C 37.699 25.300 19.249 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 6 . 637 . 1 1 2 ASP H H 37.006 22.171 21.553 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 6 . 638 . 1 1 2 ASP HA H 35.880 24.913 21.326 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 6 . 639 . 1 1 2 ASP HB2 H 38.327 24.318 21.144 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 6 . 640 . 1 1 2 ASP HB3 H 37.944 23.253 19.843 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 6 . 641 . 1 1 2 ASP N N 36.450 22.969 21.836 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 6 . 642 . 1 1 2 ASP O O 35.252 22.525 19.240 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 6 . 643 . 1 1 2 ASP OD1 O 38.785 25.614 18.735 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 6 . 644 . 1 1 2 ASP OD2 O 36.654 25.903 18.943 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 6 . 645 . 1 1 3 PRO C C 33.636 24.040 17.206 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 6 . 646 . 1 1 3 PRO CA C 33.078 23.943 18.618 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 6 . 647 . 1 1 3 PRO CB C 31.907 24.889 18.843 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 6 . 648 . 1 1 3 PRO CD C 33.773 25.572 20.263 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 6 . 649 . 1 1 3 PRO CG C 32.588 26.108 19.462 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 6 . 650 . 1 1 3 PRO HA H 32.768 22.921 18.829 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 6 . 651 . 1 1 3 PRO HB2 H 31.319 25.092 17.946 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 6 . 652 . 1 1 3 PRO HB3 H 31.226 24.490 19.602 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 6 . 653 . 1 1 3 PRO HD2 H 34.583 26.276 20.097 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 6 . 654 . 1 1 3 PRO HD3 H 33.458 25.474 21.301 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 6 . 655 . 1 1 3 PRO HG2 H 32.994 26.742 18.684 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 6 . 656 . 1 1 3 PRO HG3 H 31.899 26.611 20.146 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 6 . 657 . 1 1 3 PRO N N 34.032 24.270 19.660 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 6 . 658 . 1 1 3 PRO O O 33.169 23.387 16.279 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 6 . 659 . 1 1 4 THR C C 35.768 23.622 15.131 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 6 . 660 . 1 1 4 THR CA C 35.359 24.995 15.649 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 6 . 661 . 1 1 4 THR CB C 36.660 25.792 15.679 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 6 . 662 . 1 1 4 THR CG2 C 37.156 26.080 14.259 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 6 . 663 . 1 1 4 THR H H 35.136 25.324 17.669 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 6 . 664 . 1 1 4 THR HA H 34.727 25.522 14.943 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 6 . 665 . 1 1 4 THR HB H 37.439 25.207 16.157 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 6 . 666 . 1 1 4 THR HG1 H 36.679 26.874 17.273 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 6 . 667 . 1 1 4 THR HG21 H 38.067 26.682 14.382 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 6 . 668 . 1 1 4 THR HG22 H 36.414 26.716 13.795 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 6 . 669 . 1 1 4 THR HG23 H 37.348 25.216 13.626 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 6 . 670 . 1 1 4 THR N N 34.707 24.781 16.932 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 6 . 671 . 1 1 4 THR O O 36.596 22.926 15.710 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 6 . 672 . 1 1 4 THR OG1 O 36.465 27.023 16.358 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 6 . 673 . 1 1 5 DPR C C 35.390 20.572 14.471 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 6 . 674 . 1 1 5 DPR CA C 35.651 21.770 13.571 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 6 . 675 . 1 1 5 DPR CB C 34.928 21.549 12.244 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 6 . 676 . 1 1 5 DPR CD C 34.275 23.610 13.100 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 6 . 677 . 1 1 5 DPR CG C 33.671 22.391 12.409 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 6 . 678 . 1 1 5 DPR HA H 36.724 21.744 13.370 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 6 . 679 . 1 1 5 DPR HB2 H 35.566 21.945 11.445 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 6 . 680 . 1 1 5 DPR HB3 H 34.672 20.498 12.146 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 6 . 681 . 1 1 5 DPR HD2 H 34.781 24.232 12.362 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 6 . 682 . 1 1 5 DPR HD3 H 33.528 24.172 13.658 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 6 . 683 . 1 1 5 DPR HG2 H 33.203 22.695 11.472 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 6 . 684 . 1 1 5 DPR HG3 H 33.087 21.832 13.142 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 6 . 685 . 1 1 5 DPR N N 35.292 23.099 14.001 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 6 . 686 . 1 1 5 DPR O O 36.038 19.548 14.279 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 6 . 687 . 1 1 6 . C C 35.671 19.397 17.151 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 6 . 688 . 1 1 6 . CA C 34.358 19.672 16.437 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 6 . 689 . 1 1 6 . CB C 33.211 20.135 17.340 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 6 . 690 . 1 1 6 . CD C 31.924 19.787 19.498 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 6 . 691 . 1 1 6 . CG C 32.848 19.164 18.461 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 6 . 692 . 1 1 6 . CZ C 31.864 21.513 21.283 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 6 . 693 . 1 1 6 . H H 34.132 21.629 15.711 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 6 . 694 . 1 1 6 . HA H 34.056 18.717 16.009 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 6 . 695 . 1 1 6 . HB2 H 33.619 21.029 17.813 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 6 . 696 . 1 1 6 . HB3 H 32.324 20.451 16.798 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 6 . 697 . 1 1 6 . HD2 H 31.135 20.225 18.892 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 6 . 698 . 1 1 6 . HD3 H 31.493 19.020 20.138 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 6 . 699 . 1 1 6 . HE H 33.539 20.852 20.352 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 6 . 700 . 1 1 6 . HG2 H 32.341 18.314 18.005 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 6 . 701 . 1 1 6 . HG3 H 33.784 18.889 18.929 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 6 . 702 . 1 1 6 . HH11 H 33.563 22.401 22.084 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 6 . 703 . 1 1 6 . HH12 H 32.011 22.865 22.740 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 6 . 704 . 1 1 6 . HH21 H 29.910 20.936 20.828 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 6 . 705 . 1 1 6 . HH22 H 30.053 22.029 22.099 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 6 . 706 . 1 1 6 . N N 34.497 20.728 15.451 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 6 . 707 . 1 1 6 . NE N 32.542 20.757 20.403 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 6 . 708 . 1 1 6 . NH1 N 32.558 22.311 22.104 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 6 . 709 . 1 1 6 . NH2 N 30.529 21.509 21.369 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 6 . 710 . 1 1 6 . O O 36.017 18.228 17.288 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 6 . 711 . 1 1 7 GLN C C 37.592 20.100 19.684 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 6 . 712 . 1 1 7 GLN CA C 37.711 20.219 18.175 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 6 . 713 . 1 1 7 GLN CB C 38.809 21.151 17.672 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 6 . 714 . 1 1 7 GLN CD C 40.051 21.948 15.532 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 6 . 715 . 1 1 7 GLN CG C 39.209 20.889 16.215 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 6 . 716 . 1 1 7 GLN H H 36.134 21.363 17.321 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 6 . 717 . 1 1 7 GLN HA H 38.075 19.244 17.881 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 6 . 718 . 1 1 7 GLN HB2 H 38.429 22.164 17.761 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 6 . 719 . 1 1 7 GLN HB3 H 39.651 21.098 18.370 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 6 . 720 . 1 1 7 GLN HE21 H 38.462 23.215 15.450 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 6 . 721 . 1 1 7 GLN HE22 H 40.016 23.947 15.413 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 6 . 722 . 1 1 7 GLN HG2 H 39.744 19.963 15.996 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 6 . 723 . 1 1 7 GLN HG3 H 38.283 20.786 15.663 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 6 . 724 . 1 1 7 GLN N N 36.468 20.422 17.456 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 6 . 725 . 1 1 7 GLN NE2 N 39.450 23.122 15.287 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 6 . 726 . 1 1 7 GLN O O 38.151 20.887 20.457 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 6 . 727 . 1 1 7 GLN OE1 O 41.242 21.794 15.272 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 6 . 728 . 1 1 8 . C C 35.816 19.940 22.281 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 6 . 729 . 1 1 8 . CA C 36.577 18.843 21.553 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 6 . 730 . 1 1 8 . CB C 35.825 17.511 21.608 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 6 . 731 . 1 1 8 . CD C 34.641 15.920 23.169 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 6 . 732 . 1 1 8 . CG C 35.604 17.089 23.057 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 6 . 733 . 1 1 8 . H H 36.193 18.620 19.549 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 6 . 734 . 1 1 8 . HA H 37.544 18.728 22.055 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 6 . 735 . 1 1 8 . HB2 H 34.852 17.592 21.119 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 6 . 736 . 1 1 8 . HB3 H 36.329 16.724 21.064 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 6 . 737 . 1 1 8 . HE21 H 34.206 16.366 25.070 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 6 . 738 . 1 1 8 . HE22 H 33.290 15.007 24.386 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 6 . 739 . 1 1 8 . HG2 H 36.553 16.707 23.444 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 6 . 740 . 1 1 8 . HG3 H 35.057 17.873 23.571 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 6 . 741 . 1 1 8 . N N 36.707 19.236 20.168 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 6 . 742 . 1 1 8 . NE2 N 33.910 15.796 24.284 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 6 . 743 . 1 1 8 . O O 34.725 20.335 21.875 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 6 . 744 . 1 1 8 . OE1 O 34.420 15.210 22.184 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 7 . 745 . 1 1 1 ASP C C 35.685 22.759 22.936 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 7 . 746 . 1 1 1 ASP CA C 35.902 21.596 23.887 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 7 . 747 . 1 1 1 ASP CB C 36.890 21.957 24.981 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 7 . 748 . 1 1 1 ASP CG C 37.300 20.843 25.939 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 7 . 749 . 1 1 1 ASP H1 H 36.586 19.558 23.643 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 7 . 750 . 1 1 1 ASP HA H 34.927 21.395 24.327 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 7 . 751 . 1 1 1 ASP HB2 H 37.814 22.264 24.499 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 7 . 752 . 1 1 1 ASP HB3 H 36.571 22.812 25.575 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 7 . 753 . 1 1 1 ASP N N 36.346 20.416 23.165 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 7 . 754 . 1 1 1 ASP O O 34.803 23.554 23.251 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 7 . 755 . 1 1 1 ASP OD1 O 37.044 19.656 25.653 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 7 . 756 . 1 1 1 ASP OD2 O 37.876 21.105 27.021 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 7 . 757 . 1 1 2 ASP C C 35.322 23.687 19.813 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 7 . 758 . 1 1 2 ASP CA C 36.367 24.029 20.871 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 7 . 759 . 1 1 2 ASP CB C 37.773 24.209 20.314 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 7 . 760 . 1 1 2 ASP CG C 37.898 25.427 19.411 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 7 . 761 . 1 1 2 ASP H H 37.213 22.352 21.659 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 7 . 762 . 1 1 2 ASP HA H 36.117 24.916 21.462 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 7 . 763 . 1 1 2 ASP HB2 H 38.472 24.294 21.145 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 7 . 764 . 1 1 2 ASP HB3 H 38.024 23.342 19.701 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 7 . 765 . 1 1 2 ASP N N 36.389 22.920 21.814 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 7 . 766 . 1 1 2 ASP O O 35.587 22.747 19.067 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 7 . 767 . 1 1 2 ASP OD1 O 39.071 25.792 19.173 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 7 . 768 . 1 1 2 ASP OD2 O 36.893 25.960 18.889 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 7 . 769 . 1 1 3 PRO C C 33.793 23.919 17.184 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 7 . 770 . 1 1 3 PRO CA C 33.268 23.936 18.613 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 7 . 771 . 1 1 3 PRO CB C 32.086 24.890 18.724 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 7 . 772 . 1 1 3 PRO CD C 33.748 25.582 20.313 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 7 . 773 . 1 1 3 PRO CG C 32.472 26.062 19.631 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 7 . 774 . 1 1 3 PRO HA H 33.040 22.947 19.004 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 7 . 775 . 1 1 3 PRO HB2 H 31.821 25.261 17.738 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 7 . 776 . 1 1 3 PRO HB3 H 31.322 24.230 19.136 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 7 . 777 . 1 1 3 PRO HD2 H 34.534 26.312 20.441 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 7 . 778 . 1 1 3 PRO HD3 H 33.389 25.330 21.316 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 7 . 779 . 1 1 3 PRO HG2 H 32.576 26.987 19.074 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 7 . 780 . 1 1 3 PRO HG3 H 31.674 26.166 20.379 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 7 . 781 . 1 1 3 PRO N N 34.208 24.385 19.626 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 7 . 782 . 1 1 3 PRO O O 33.203 23.335 16.277 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 7 . 783 . 1 1 4 THR C C 35.851 23.562 14.912 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 7 . 784 . 1 1 4 THR CA C 35.401 24.871 15.556 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 7 . 785 . 1 1 4 THR CB C 36.505 25.928 15.551 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 7 . 786 . 1 1 4 THR CG2 C 36.616 26.661 14.215 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 7 . 787 . 1 1 4 THR H H 35.379 25.116 17.618 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 7 . 788 . 1 1 4 THR HA H 34.564 25.398 15.097 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 7 . 789 . 1 1 4 THR HB H 37.439 25.415 15.768 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 7 . 790 . 1 1 4 THR HG1 H 36.376 26.571 17.399 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 7 . 791 . 1 1 4 THR HG21 H 37.289 27.510 14.224 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 7 . 792 . 1 1 4 THR HG22 H 35.697 27.124 13.868 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 7 . 793 . 1 1 4 THR HG23 H 36.946 25.967 13.443 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 7 . 794 . 1 1 4 THR N N 34.890 24.627 16.894 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 7 . 795 . 1 1 4 THR O O 36.742 22.972 15.519 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 7 . 796 . 1 1 4 THR OG1 O 36.230 26.924 16.517 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 7 . 797 . 1 1 5 DPR C C 35.214 20.556 14.249 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 7 . 798 . 1 1 5 DPR CA C 35.419 21.757 13.332 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 7 . 799 . 1 1 5 DPR CB C 34.587 21.787 12.044 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 7 . 800 . 1 1 5 DPR CD C 34.110 23.726 13.147 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 7 . 801 . 1 1 5 DPR CG C 33.374 22.680 12.318 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 7 . 802 . 1 1 5 DPR HA H 36.476 21.675 13.074 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 7 . 803 . 1 1 5 DPR HB2 H 35.196 22.205 11.246 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 7 . 804 . 1 1 5 DPR HB3 H 34.291 20.769 11.785 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 7 . 805 . 1 1 5 DPR HD2 H 34.624 24.464 12.528 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 7 . 806 . 1 1 5 DPR HD3 H 33.343 24.270 13.697 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 7 . 807 . 1 1 5 DPR HG2 H 32.956 22.964 11.356 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 7 . 808 . 1 1 5 DPR HG3 H 32.593 22.152 12.857 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 7 . 809 . 1 1 5 DPR N N 35.123 23.040 13.918 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 7 . 810 . 1 1 5 DPR O O 35.548 19.457 13.809 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 7 . 811 . 1 1 6 . C C 35.672 19.201 17.137 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 7 . 812 . 1 1 6 . CA C 34.392 19.668 16.456 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 7 . 813 . 1 1 6 . CB C 33.318 20.145 17.425 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 7 . 814 . 1 1 6 . CD C 31.800 19.412 19.265 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 7 . 815 . 1 1 6 . CG C 32.907 18.970 18.303 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 7 . 816 . 1 1 6 . CZ C 31.533 21.565 20.579 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 7 . 817 . 1 1 6 . H H 34.395 21.622 15.693 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 7 . 818 . 1 1 6 . HA H 33.905 18.793 16.009 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 7 . 819 . 1 1 6 . HB2 H 33.711 20.922 18.093 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 7 . 820 . 1 1 6 . HB3 H 32.428 20.407 16.868 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 7 . 821 . 1 1 6 . HD2 H 30.869 19.622 18.739 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 7 . 822 . 1 1 6 . HD3 H 31.551 18.570 19.892 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 7 . 823 . 1 1 6 . HE H 33.069 20.307 20.697 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 7 . 824 . 1 1 6 . HG2 H 32.509 18.215 17.628 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 7 . 825 . 1 1 6 . HG3 H 33.725 18.623 18.941 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 7 . 826 . 1 1 6 . HH11 H 32.925 22.145 22.014 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 7 . 827 . 1 1 6 . HH12 H 31.517 23.151 21.762 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 7 . 828 . 1 1 6 . HH21 H 29.895 21.222 19.428 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 7 . 829 . 1 1 6 . HH22 H 29.734 22.576 20.500 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 7 . 830 . 1 1 6 . N N 34.591 20.663 15.430 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 7 . 831 . 1 1 6 . NE N 32.199 20.465 20.200 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 7 . 832 . 1 1 6 . NH1 N 32.090 22.359 21.501 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 7 . 833 . 1 1 6 . NH2 N 30.284 21.805 20.150 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 7 . 834 . 1 1 6 . O O 35.790 18.006 17.374 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 7 . 835 . 1 1 7 GLN C C 37.595 19.867 19.675 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 7 . 836 . 1 1 7 GLN CA C 37.777 19.911 18.163 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 7 . 837 . 1 1 7 GLN CB C 38.832 20.984 17.863 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 7 . 838 . 1 1 7 GLN CD C 40.039 22.291 16.027 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 7 . 839 . 1 1 7 GLN CG C 39.227 21.051 16.389 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 7 . 840 . 1 1 7 GLN H H 36.176 21.099 17.448 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 7 . 841 . 1 1 7 GLN HA H 38.200 18.960 17.871 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 7 . 842 . 1 1 7 GLN HB2 H 38.400 21.932 18.183 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 7 . 843 . 1 1 7 GLN HB3 H 39.770 20.845 18.391 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 7 . 844 . 1 1 7 GLN HE21 H 38.640 23.067 14.781 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 7 . 845 . 1 1 7 GLN HE22 H 40.238 23.892 14.917 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 7 . 846 . 1 1 7 GLN HG2 H 39.887 20.199 16.247 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 7 . 847 . 1 1 7 GLN HG3 H 38.442 20.903 15.662 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 7 . 848 . 1 1 7 GLN N N 36.543 20.162 17.435 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 7 . 849 . 1 1 7 GLN NE2 N 39.605 23.133 15.092 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 7 . 850 . 1 1 7 GLN O O 38.131 20.683 20.414 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 7 . 851 . 1 1 7 GLN OE1 O 41.145 22.529 16.514 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 7 . 852 . 1 1 8 . C C 35.725 19.739 22.187 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 7 . 853 . 1 1 8 . CA C 36.594 18.653 21.573 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 7 . 854 . 1 1 8 . CB C 35.762 17.379 21.782 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 7 . 855 . 1 1 8 . CD C 35.581 15.294 23.301 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 7 . 856 . 1 1 8 . CG C 35.990 16.751 23.149 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 7 . 857 . 1 1 8 . H H 36.413 18.271 19.478 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 7 . 858 . 1 1 8 . HA H 37.588 18.685 22.015 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 7 . 859 . 1 1 8 . HB2 H 34.682 17.507 21.685 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 7 . 860 . 1 1 8 . HB3 H 36.255 16.675 21.110 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 7 . 861 . 1 1 8 . HE21 H 35.793 15.327 25.380 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 7 . 862 . 1 1 8 . HE22 H 35.493 13.795 24.621 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 7 . 863 . 1 1 8 . HG2 H 37.066 16.718 23.327 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 7 . 864 . 1 1 8 . HG3 H 35.579 17.396 23.929 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 7 . 865 . 1 1 8 . N N 36.797 18.913 20.161 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 7 . 866 . 1 1 8 . NE2 N 35.637 14.787 24.536 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 7 . 867 . 1 1 8 . O O 34.607 20.024 21.767 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 7 . 868 . 1 1 8 . OE1 O 35.218 14.606 22.356 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 8 . 869 . 1 1 1 ASP C C 36.025 22.930 22.995 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 8 . 870 . 1 1 1 ASP CA C 35.948 21.610 23.739 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 8 . 871 . 1 1 1 ASP CB C 36.508 21.653 25.161 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 8 . 872 . 1 1 1 ASP CG C 38.025 21.615 25.291 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 8 . 873 . 1 1 1 ASP H1 H 37.418 20.547 22.573 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 8 . 874 . 1 1 1 ASP HA H 34.900 21.366 23.898 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 8 . 875 . 1 1 1 ASP HB2 H 36.092 22.500 25.709 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 8 . 876 . 1 1 1 ASP HB3 H 36.113 20.833 25.750 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 8 . 877 . 1 1 1 ASP N N 36.551 20.468 23.069 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 8 . 878 . 1 1 1 ASP O O 35.574 23.923 23.571 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 8 . 879 . 1 1 1 ASP OD1 O 38.445 21.300 26.434 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 8 . 880 . 1 1 1 ASP OD2 O 38.759 22.042 24.369 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 8 . 881 . 1 1 2 ASP C C 35.337 23.574 19.761 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 8 . 882 . 1 1 2 ASP CA C 36.327 24.051 20.816 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 8 . 883 . 1 1 2 ASP CB C 37.694 24.366 20.219 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 8 . 884 . 1 1 2 ASP CG C 37.772 25.388 19.092 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 8 . 885 . 1 1 2 ASP H H 36.985 22.146 21.433 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 8 . 886 . 1 1 2 ASP HA H 35.989 24.938 21.338 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 8 . 887 . 1 1 2 ASP HB2 H 38.386 24.724 20.997 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 8 . 888 . 1 1 2 ASP HB3 H 38.160 23.481 19.783 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 8 . 889 . 1 1 2 ASP N N 36.562 22.998 21.780 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 8 . 890 . 1 1 2 ASP O O 35.595 22.571 19.097 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 8 . 891 . 1 1 2 ASP OD1 O 36.741 25.970 18.710 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 8 . 892 . 1 1 2 ASP OD2 O 38.889 25.618 18.589 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 8 . 893 . 1 1 3 PRO C C 33.668 24.166 17.162 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 8 . 894 . 1 1 3 PRO CA C 33.226 23.864 18.586 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 8 . 895 . 1 1 3 PRO CB C 31.907 24.528 18.967 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 8 . 896 . 1 1 3 PRO CD C 33.710 25.452 20.225 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 8 . 897 . 1 1 3 PRO CG C 32.530 25.871 19.361 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 8 . 898 . 1 1 3 PRO HA H 33.019 22.787 18.590 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 8 . 899 . 1 1 3 PRO HB2 H 31.344 24.620 18.044 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 8 . 900 . 1 1 3 PRO HB3 H 31.350 24.006 19.736 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 8 . 901 . 1 1 3 PRO HD2 H 34.497 26.199 20.208 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 8 . 902 . 1 1 3 PRO HD3 H 33.410 25.254 21.257 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 8 . 903 . 1 1 3 PRO HG2 H 32.707 26.520 18.499 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 8 . 904 . 1 1 3 PRO HG3 H 31.875 26.485 19.977 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 8 . 905 . 1 1 3 PRO N N 34.188 24.232 19.614 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 8 . 906 . 1 1 3 PRO O O 32.918 23.643 16.336 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 8 . 907 . 1 1 4 THR C C 35.805 23.638 15.032 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 8 . 908 . 1 1 4 THR CA C 35.376 25.013 15.510 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 8 . 909 . 1 1 4 THR CB C 36.554 25.981 15.465 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 8 . 910 . 1 1 4 THR CG2 C 36.848 26.553 14.075 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 8 . 911 . 1 1 4 THR H H 35.290 25.298 17.532 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 8 . 912 . 1 1 4 THR HA H 34.571 25.491 14.968 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 8 . 913 . 1 1 4 THR HB H 37.439 25.502 15.895 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 8 . 914 . 1 1 4 THR HG1 H 36.268 26.781 17.217 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 8 . 915 . 1 1 4 THR HG21 H 37.332 27.505 14.277 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 8 . 916 . 1 1 4 THR HG22 H 35.905 26.621 13.532 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 8 . 917 . 1 1 4 THR HG23 H 37.513 25.902 13.515 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 8 . 918 . 1 1 4 THR N N 34.735 24.873 16.802 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 8 . 919 . 1 1 4 THR O O 36.690 23.053 15.655 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 8 . 920 . 1 1 4 THR OG1 O 36.265 27.076 16.304 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 8 . 921 . 1 1 5 DPR C C 35.334 20.593 14.437 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 8 . 922 . 1 1 5 DPR CA C 35.558 21.756 13.487 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 8 . 923 . 1 1 5 DPR CB C 34.822 21.585 12.156 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 8 . 924 . 1 1 5 DPR CD C 33.999 23.500 13.291 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 8 . 925 . 1 1 5 DPR CG C 33.513 22.292 12.509 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 8 . 926 . 1 1 5 DPR HA H 36.627 21.865 13.332 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 8 . 927 . 1 1 5 DPR HB2 H 35.389 22.081 11.372 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 8 . 928 . 1 1 5 DPR HB3 H 34.621 20.548 11.920 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 8 . 929 . 1 1 5 DPR HD2 H 34.354 24.242 12.579 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 8 . 930 . 1 1 5 DPR HD3 H 33.260 23.799 14.040 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 8 . 931 . 1 1 5 DPR HG2 H 33.002 22.628 11.602 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 8 . 932 . 1 1 5 DPR HG3 H 32.980 21.667 13.225 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 8 . 933 . 1 1 5 DPR N N 35.173 23.045 14.012 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 8 . 934 . 1 1 5 DPR O O 35.961 19.553 14.269 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 8 . 935 . 1 1 6 . C C 35.578 19.210 17.149 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 8 . 936 . 1 1 6 . CA C 34.303 19.721 16.487 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 8 . 937 . 1 1 6 . CB C 33.278 20.263 17.467 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 8 . 938 . 1 1 6 . CD C 31.616 19.927 19.405 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 8 . 939 . 1 1 6 . CG C 32.563 19.287 18.395 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 8 . 940 . 1 1 6 . CZ C 31.764 21.263 21.447 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 8 . 941 . 1 1 6 . H H 34.070 21.653 15.526 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 8 . 942 . 1 1 6 . HA H 33.827 18.904 15.943 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 8 . 943 . 1 1 6 . HB2 H 33.906 20.893 18.096 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 8 . 944 . 1 1 6 . HB3 H 32.426 20.761 17.004 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 8 . 945 . 1 1 6 . HD2 H 30.978 20.609 18.831 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 8 . 946 . 1 1 6 . HD3 H 30.940 19.174 19.793 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 8 . 947 . 1 1 6 . HE H 33.307 20.161 20.683 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 8 . 948 . 1 1 6 . HG2 H 31.920 18.630 17.826 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 8 . 949 . 1 1 6 . HG3 H 33.326 18.791 19.001 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 8 . 950 . 1 1 6 . HH11 H 33.001 20.665 22.926 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 8 . 951 . 1 1 6 . HH12 H 32.092 22.155 23.232 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 8 . 952 . 1 1 6 . HH21 H 30.104 21.746 20.386 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 8 . 953 . 1 1 6 . HH22 H 30.147 22.497 21.930 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 8 . 954 . 1 1 6 . N N 34.543 20.752 15.502 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 8 . 955 . 1 1 6 . NE N 32.360 20.490 20.530 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 8 . 956 . 1 1 6 . NH1 N 32.372 21.398 22.629 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 8 . 957 . 1 1 6 . NH2 N 30.600 21.899 21.249 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 8 . 958 . 1 1 6 . O O 35.700 18.028 17.457 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 8 . 959 . 1 1 7 GLN C C 37.537 19.885 19.701 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 8 . 960 . 1 1 7 GLN CA C 37.691 19.844 18.190 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 8 . 961 . 1 1 7 GLN CB C 38.756 20.809 17.672 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 8 . 962 . 1 1 7 GLN CD C 39.870 21.798 15.693 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 8 . 963 . 1 1 7 GLN CG C 38.991 20.647 16.169 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 8 . 964 . 1 1 7 GLN H H 36.078 21.105 17.490 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 8 . 965 . 1 1 7 GLN HA H 37.995 18.836 17.914 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 8 . 966 . 1 1 7 GLN HB2 H 38.506 21.837 17.903 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 8 . 967 . 1 1 7 GLN HB3 H 39.686 20.625 18.206 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 8 . 968 . 1 1 7 GLN HE21 H 38.530 23.098 16.147 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 8 . 969 . 1 1 7 GLN HE22 H 40.006 23.812 15.392 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 8 . 970 . 1 1 7 GLN HG2 H 39.494 19.699 15.965 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 8 . 971 . 1 1 7 GLN HG3 H 38.050 20.640 15.619 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 8 . 972 . 1 1 7 GLN N N 36.414 20.158 17.570 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 8 . 973 . 1 1 7 GLN NE2 N 39.480 23.055 15.821 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 8 . 974 . 1 1 7 GLN O O 38.118 20.637 20.479 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 8 . 975 . 1 1 7 GLN OE1 O 40.996 21.576 15.257 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 8 . 976 . 1 1 8 . C C 35.850 19.623 22.317 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 8 . 977 . 1 1 8 . CA C 36.691 18.560 21.635 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 8 . 978 . 1 1 8 . CB C 36.136 17.155 21.854 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 8 . 979 . 1 1 8 . CD C 36.696 14.718 22.088 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 8 . 980 . 1 1 8 . CG C 37.018 16.015 21.361 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 8 . 981 . 1 1 8 . H H 36.549 18.164 19.580 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 8 . 982 . 1 1 8 . HA H 37.700 18.678 22.036 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 8 . 983 . 1 1 8 . HB2 H 36.062 17.120 22.943 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 8 . 984 . 1 1 8 . HB3 H 35.142 17.115 21.418 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 8 . 985 . 1 1 8 . HE21 H 38.093 13.723 20.978 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 8 . 986 . 1 1 8 . HE22 H 37.186 12.767 22.135 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 8 . 987 . 1 1 8 . HG2 H 36.951 15.836 20.290 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 8 . 988 . 1 1 8 . HG3 H 38.071 16.280 21.518 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 8 . 989 . 1 1 8 . N N 36.824 18.883 20.221 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 8 . 990 . 1 1 8 . NE2 N 37.312 13.628 21.624 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 8 . 991 . 1 1 8 . O O 34.625 19.721 22.177 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 8 . 992 . 1 1 8 . OE1 O 35.826 14.659 22.951 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 9 . 993 . 1 1 1 ASP C C 35.860 22.833 22.900 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 9 . 994 . 1 1 1 ASP CA C 36.092 21.651 23.824 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 9 . 995 . 1 1 1 ASP CB C 36.852 22.017 25.099 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 9 . 996 . 1 1 1 ASP CG C 38.332 21.991 24.752 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 9 . 997 . 1 1 1 ASP H1 H 36.963 20.640 22.139 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 9 . 998 . 1 1 1 ASP HA H 35.116 21.289 24.142 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 9 . 999 . 1 1 1 ASP HB2 H 36.506 22.961 25.529 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 9 . 1000 . 1 1 1 ASP HB3 H 36.739 21.190 25.798 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 9 . 1001 . 1 1 1 ASP N N 36.696 20.536 23.111 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 9 . 1002 . 1 1 1 ASP O O 35.042 23.675 23.238 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 9 . 1003 . 1 1 1 ASP OD1 O 38.809 23.117 24.460 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 9 . 1004 . 1 1 1 ASP OD2 O 39.006 20.966 24.962 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 9 . 1005 . 1 1 2 ASP C C 35.147 23.562 19.884 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 9 . 1006 . 1 1 2 ASP CA C 36.329 23.998 20.726 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 9 . 1007 . 1 1 2 ASP CB C 37.685 24.040 20.015 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 9 . 1008 . 1 1 2 ASP CG C 37.798 25.086 18.907 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 9 . 1009 . 1 1 2 ASP H H 37.428 22.513 21.697 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 9 . 1010 . 1 1 2 ASP HA H 36.099 24.953 21.215 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 9 . 1011 . 1 1 2 ASP HB2 H 38.512 24.344 20.651 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 9 . 1012 . 1 1 2 ASP HB3 H 37.874 23.067 19.572 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 9 . 1013 . 1 1 2 ASP N N 36.588 23.061 21.799 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 9 . 1014 . 1 1 2 ASP O O 35.170 22.432 19.402 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 9 . 1015 . 1 1 2 ASP OD1 O 38.862 25.099 18.261 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 9 . 1016 . 1 1 2 ASP OD2 O 36.829 25.832 18.643 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 9 . 1017 . 1 1 3 PRO C C 33.566 24.052 17.238 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 9 . 1018 . 1 1 3 PRO CA C 33.108 24.009 18.691 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 9 . 1019 . 1 1 3 PRO CB C 31.967 24.977 18.999 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 9 . 1020 . 1 1 3 PRO CD C 33.931 25.692 20.220 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 9 . 1021 . 1 1 3 PRO CG C 32.592 26.184 19.680 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 9 . 1022 . 1 1 3 PRO HA H 32.737 23.013 18.914 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 9 . 1023 . 1 1 3 PRO HB2 H 31.546 25.318 18.044 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 9 . 1024 . 1 1 3 PRO HB3 H 31.121 24.624 19.602 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 9 . 1025 . 1 1 3 PRO HD2 H 34.649 26.452 19.888 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 9 . 1026 . 1 1 3 PRO HD3 H 34.013 25.673 21.308 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 9 . 1027 . 1 1 3 PRO HG2 H 32.889 26.916 18.931 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 9 . 1028 . 1 1 3 PRO HG3 H 32.145 26.499 20.619 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 9 . 1029 . 1 1 3 PRO N N 34.192 24.434 19.557 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 9 . 1030 . 1 1 3 PRO O O 33.080 23.302 16.383 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 9 . 1031 . 1 1 4 THR C C 35.832 23.575 15.113 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 9 . 1032 . 1 1 4 THR CA C 35.236 24.887 15.612 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 9 . 1033 . 1 1 4 THR CB C 36.290 25.982 15.497 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 9 . 1034 . 1 1 4 THR CG2 C 36.578 26.491 14.092 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 9 . 1035 . 1 1 4 THR H H 35.182 25.233 17.632 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 9 . 1036 . 1 1 4 THR HA H 34.453 25.230 14.935 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 9 . 1037 . 1 1 4 THR HB H 37.293 25.627 15.751 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 9 . 1038 . 1 1 4 THR HG1 H 36.375 26.604 17.209 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 9 . 1039 . 1 1 4 THR HG21 H 35.703 26.949 13.639 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 9 . 1040 . 1 1 4 THR HG22 H 36.977 25.680 13.486 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 9 . 1041 . 1 1 4 THR HG23 H 37.444 27.156 14.093 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 9 . 1042 . 1 1 4 THR N N 34.646 24.766 16.927 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 9 . 1043 . 1 1 4 THR O O 36.619 23.003 15.868 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 9 . 1044 . 1 1 4 THR OG1 O 36.064 27.043 16.411 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 9 . 1045 . 1 1 5 DPR C C 35.373 20.559 14.367 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 9 . 1046 . 1 1 5 DPR CA C 35.887 21.755 13.577 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 9 . 1047 . 1 1 5 DPR CB C 35.508 21.613 12.110 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 9 . 1048 . 1 1 5 DPR CD C 34.491 23.585 12.972 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 9 . 1049 . 1 1 5 DPR CG C 34.170 22.356 12.141 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 9 . 1050 . 1 1 5 DPR HA H 36.964 21.702 13.748 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 9 . 1051 . 1 1 5 DPR HB2 H 36.154 22.217 11.479 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 9 . 1052 . 1 1 5 DPR HB3 H 35.420 20.554 11.834 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 9 . 1053 . 1 1 5 DPR HD2 H 35.001 24.378 12.433 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 9 . 1054 . 1 1 5 DPR HD3 H 33.558 23.958 13.402 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 9 . 1055 . 1 1 5 DPR HG2 H 33.860 22.592 11.116 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 9 . 1056 . 1 1 5 DPR HG3 H 33.437 21.742 12.658 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 9 . 1057 . 1 1 5 DPR N N 35.366 23.038 13.988 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 9 . 1058 . 1 1 5 DPR O O 35.864 19.462 14.123 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 9 . 1059 . 1 1 6 . C C 35.455 19.228 17.148 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 9 . 1060 . 1 1 6 . CA C 34.224 19.622 16.350 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 9 . 1061 . 1 1 6 . CB C 33.173 20.251 17.250 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 9 . 1062 . 1 1 6 . CD C 31.729 19.828 19.343 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 9 . 1063 . 1 1 6 . CG C 32.727 19.268 18.330 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 9 . 1064 . 1 1 6 . CZ C 31.788 21.501 21.164 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 9 . 1065 . 1 1 6 . H H 34.058 21.546 15.572 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 9 . 1066 . 1 1 6 . HA H 33.852 18.715 15.877 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 9 . 1067 . 1 1 6 . HB2 H 33.601 21.091 17.794 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 9 . 1068 . 1 1 6 . HB3 H 32.284 20.470 16.654 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 9 . 1069 . 1 1 6 . HD2 H 30.936 20.460 18.966 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 9 . 1070 . 1 1 6 . HD3 H 31.306 18.956 19.842 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 9 . 1071 . 1 1 6 . HE H 33.413 20.624 20.353 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 9 . 1072 . 1 1 6 . HG2 H 32.330 18.379 17.851 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 9 . 1073 . 1 1 6 . HG3 H 33.608 18.953 18.899 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 9 . 1074 . 1 1 6 . HH11 H 33.480 22.037 22.013 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 9 . 1075 . 1 1 6 . HH12 H 32.230 23.027 22.614 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 9 . 1076 . 1 1 6 . HH21 H 29.861 20.907 20.827 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 9 . 1077 . 1 1 6 . HH22 H 30.076 22.225 21.969 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 9 . 1078 . 1 1 6 . N N 34.508 20.663 15.386 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 9 . 1079 . 1 1 6 . NE N 32.420 20.667 20.323 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 9 . 1080 . 1 1 6 . NH1 N 32.499 22.262 22.011 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 9 . 1081 . 1 1 6 . NH2 N 30.456 21.553 21.312 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 9 . 1082 . 1 1 6 . O O 35.564 18.075 17.567 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 9 . 1083 . 1 1 7 GLN C C 37.528 19.823 19.653 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 9 . 1084 . 1 1 7 GLN CA C 37.582 19.828 18.130 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 9 . 1085 . 1 1 7 GLN CB C 38.649 20.818 17.673 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 9 . 1086 . 1 1 7 GLN CD C 40.059 19.287 16.239 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 9 . 1087 . 1 1 7 GLN CG C 39.162 20.513 16.266 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 9 . 1088 . 1 1 7 GLN H H 36.141 21.138 17.278 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 9 . 1089 . 1 1 7 GLN HA H 37.883 18.831 17.824 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 9 . 1090 . 1 1 7 GLN HB2 H 38.238 21.825 17.750 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 9 . 1091 . 1 1 7 GLN HB3 H 39.558 20.735 18.267 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 9 . 1092 . 1 1 7 GLN HE21 H 39.675 18.759 14.254 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 9 . 1093 . 1 1 7 GLN HE22 H 40.324 17.531 15.266 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 9 . 1094 . 1 1 7 GLN HG2 H 38.282 20.367 15.638 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 9 . 1095 . 1 1 7 GLN HG3 H 39.648 21.422 15.912 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 9 . 1096 . 1 1 7 GLN N N 36.323 20.171 17.507 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 9 . 1097 . 1 1 7 GLN NE2 N 40.023 18.490 15.164 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 9 . 1098 . 1 1 7 GLN O O 38.146 20.596 20.389 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 9 . 1099 . 1 1 7 GLN OE1 O 40.774 18.968 17.182 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 9 . 1100 . 1 1 8 . C C 35.972 19.824 22.250 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 9 . 1101 . 1 1 8 . CA C 36.662 18.669 21.540 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 9 . 1102 . 1 1 8 . CB C 36.025 17.314 21.844 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 9 . 1103 . 1 1 8 . CD C 36.675 14.855 21.908 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 9 . 1104 . 1 1 8 . CG C 36.808 16.191 21.179 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 9 . 1105 . 1 1 8 . H H 36.020 18.516 19.448 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 9 . 1106 . 1 1 8 . HA H 37.690 18.578 21.892 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 9 . 1107 . 1 1 8 . HB2 H 35.939 17.161 22.920 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 9 . 1108 . 1 1 8 . HB3 H 34.997 17.208 21.476 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 9 . 1109 . 1 1 8 . HE21 H 35.999 13.990 20.210 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 9 . 1110 . 1 1 8 . HE22 H 36.093 13.000 21.745 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 9 . 1111 . 1 1 8 . HG2 H 36.489 16.164 20.141 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 9 . 1112 . 1 1 8 . HG3 H 37.865 16.475 21.216 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 9 . 1113 . 1 1 8 . N N 36.634 18.947 20.118 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 9 . 1114 . 1 1 8 . NE2 N 36.237 13.820 21.179 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 9 . 1115 . 1 1 8 . O O 34.793 20.112 22.042 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 9 . 1116 . 1 1 8 . OE1 O 36.916 14.676 23.097 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 10 . 1117 . 1 1 1 ASP C C 36.038 22.924 23.171 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 10 . 1118 . 1 1 1 ASP CA C 36.229 21.699 24.038 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 10 . 1119 . 1 1 1 ASP CB C 37.416 22.009 24.942 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 10 . 1120 . 1 1 1 ASP CG C 38.720 22.264 24.203 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 10 . 1121 . 1 1 1 ASP H1 H 37.412 20.454 22.758 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 10 . 1122 . 1 1 1 ASP HA H 35.331 21.460 24.622 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 10 . 1123 . 1 1 1 ASP HB2 H 37.214 22.952 25.461 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 10 . 1124 . 1 1 1 ASP HB3 H 37.510 21.260 25.715 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 10 . 1125 . 1 1 1 ASP N N 36.571 20.479 23.316 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 10 . 1126 . 1 1 1 ASP O O 35.474 23.913 23.644 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 10 . 1127 . 1 1 1 ASP OD1 O 39.273 21.314 23.602 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 10 . 1128 . 1 1 1 ASP OD2 O 39.179 23.418 24.301 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 10 . 1129 . 1 1 2 ASP C C 35.156 23.638 19.918 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 10 . 1130 . 1 1 2 ASP CA C 36.104 24.156 20.996 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 10 . 1131 . 1 1 2 ASP CB C 37.364 24.826 20.459 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 10 . 1132 . 1 1 2 ASP CG C 37.141 26.123 19.696 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 10 . 1133 . 1 1 2 ASP H H 36.980 22.318 21.538 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 10 . 1134 . 1 1 2 ASP HA H 35.520 24.920 21.502 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 10 . 1135 . 1 1 2 ASP HB2 H 38.041 25.047 21.290 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 10 . 1136 . 1 1 2 ASP HB3 H 37.878 24.078 19.854 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 10 . 1137 . 1 1 2 ASP N N 36.400 23.064 21.893 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 10 . 1138 . 1 1 2 ASP O O 35.502 22.580 19.407 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 10 . 1139 . 1 1 2 ASP OD1 O 37.999 27.006 19.939 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 10 . 1140 . 1 1 2 ASP OD2 O 36.128 26.310 18.994 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 10 . 1141 . 1 1 3 PRO C C 33.737 23.880 17.104 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 10 . 1142 . 1 1 3 PRO CA C 33.172 23.801 18.512 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 10 . 1143 . 1 1 3 PRO CB C 31.871 24.591 18.652 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 10 . 1144 . 1 1 3 PRO CD C 33.297 25.284 20.301 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 10 . 1145 . 1 1 3 PRO CG C 32.230 25.876 19.388 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 10 . 1146 . 1 1 3 PRO HA H 32.910 22.740 18.619 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 10 . 1147 . 1 1 3 PRO HB2 H 31.345 24.723 17.708 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 10 . 1148 . 1 1 3 PRO HB3 H 31.209 23.959 19.245 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 10 . 1149 . 1 1 3 PRO HD2 H 34.008 26.058 20.601 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 10 . 1150 . 1 1 3 PRO HD3 H 32.803 24.873 21.179 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 10 . 1151 . 1 1 3 PRO HG2 H 32.701 26.558 18.671 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 10 . 1152 . 1 1 3 PRO HG3 H 31.444 26.371 19.958 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 10 . 1153 . 1 1 3 PRO N N 34.001 24.233 19.612 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 10 . 1154 . 1 1 3 PRO O O 33.230 23.251 16.177 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 10 . 1155 . 1 1 4 THR C C 35.818 23.574 15.034 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 10 . 1156 . 1 1 4 THR CA C 35.429 24.908 15.665 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 10 . 1157 . 1 1 4 THR CB C 36.653 25.807 15.803 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 10 . 1158 . 1 1 4 THR CG2 C 37.204 26.198 14.441 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 10 . 1159 . 1 1 4 THR H H 35.110 25.251 17.723 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 10 . 1160 . 1 1 4 THR HA H 34.720 25.405 14.992 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 10 . 1161 . 1 1 4 THR HB H 37.452 25.253 16.293 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 10 . 1162 . 1 1 4 THR HG1 H 36.229 26.697 17.414 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 10 . 1163 . 1 1 4 THR HG21 H 37.955 26.978 14.483 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 10 . 1164 . 1 1 4 THR HG22 H 36.433 26.559 13.753 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 10 . 1165 . 1 1 4 THR HG23 H 37.615 25.333 13.919 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 10 . 1166 . 1 1 4 THR N N 34.779 24.705 16.940 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 10 . 1167 . 1 1 4 THR O O 36.627 22.787 15.514 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 10 . 1168 . 1 1 4 THR OG1 O 36.340 26.987 16.510 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 10 . 1169 . 1 1 5 DPR C C 35.365 20.639 14.308 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 10 . 1170 . 1 1 5 DPR CA C 35.518 21.838 13.386 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 10 . 1171 . 1 1 5 DPR CB C 34.676 21.669 12.127 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 10 . 1172 . 1 1 5 DPR CD C 34.260 23.843 13.092 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 10 . 1173 . 1 1 5 DPR CG C 33.590 22.716 12.311 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 10 . 1174 . 1 1 5 DPR HA H 36.567 21.892 13.083 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 10 . 1175 . 1 1 5 DPR HB2 H 35.283 22.074 11.325 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 10 . 1176 . 1 1 5 DPR HB3 H 34.232 20.675 11.992 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 10 . 1177 . 1 1 5 DPR HD2 H 34.853 24.556 12.519 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 10 . 1178 . 1 1 5 DPR HD3 H 33.532 24.369 13.697 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 10 . 1179 . 1 1 5 DPR HG2 H 33.277 23.058 11.325 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 10 . 1180 . 1 1 5 DPR HG3 H 32.763 22.327 12.903 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 10 . 1181 . 1 1 5 DPR N N 35.197 23.137 13.942 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 10 . 1182 . 1 1 5 DPR O O 36.094 19.666 14.117 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 10 . 1183 . 1 1 6 . C C 35.686 19.329 17.220 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 10 . 1184 . 1 1 6 . CA C 34.453 19.684 16.409 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 10 . 1185 . 1 1 6 . CB C 33.329 20.123 17.347 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 10 . 1186 . 1 1 6 . CD C 31.741 19.489 19.273 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 10 . 1187 . 1 1 6 . CG C 32.657 19.005 18.146 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 10 . 1188 . 1 1 6 . CZ C 31.745 21.285 21.004 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 10 . 1189 . 1 1 6 . H H 34.175 21.609 15.590 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 10 . 1190 . 1 1 6 . HA H 34.097 18.766 15.923 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 10 . 1191 . 1 1 6 . HB2 H 33.725 20.815 18.092 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 10 . 1192 . 1 1 6 . HB3 H 32.528 20.557 16.742 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 10 . 1193 . 1 1 6 . HD2 H 30.976 20.090 18.796 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 10 . 1194 . 1 1 6 . HD3 H 31.333 18.593 19.751 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 10 . 1195 . 1 1 6 . HE H 33.335 20.159 20.527 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 10 . 1196 . 1 1 6 . HG2 H 32.082 18.268 17.595 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 10 . 1197 . 1 1 6 . HG3 H 33.417 18.451 18.687 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 10 . 1198 . 1 1 6 . HH11 H 33.436 21.952 21.836 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 10 . 1199 . 1 1 6 . HH12 H 31.995 22.727 22.451 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 10 . 1200 . 1 1 6 . HH21 H 29.832 20.644 20.738 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 10 . 1201 . 1 1 6 . HH22 H 30.031 22.257 21.323 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 10 . 1202 . 1 1 6 . N N 34.608 20.720 15.402 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 10 . 1203 . 1 1 6 . NE N 32.349 20.282 20.343 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 10 . 1204 . 1 1 6 . NH1 N 32.447 22.124 21.775 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 10 . 1205 . 1 1 6 . NH2 N 30.425 21.433 20.886 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 10 . 1206 . 1 1 6 . O O 35.888 18.144 17.514 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 10 . 1207 . 1 1 7 GLN C C 37.355 20.162 19.796 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 10 . 1208 . 1 1 7 GLN CA C 37.736 20.232 18.323 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 10 . 1209 . 1 1 7 GLN CB C 38.625 21.426 17.987 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 10 . 1210 . 1 1 7 GLN CD C 40.193 22.411 16.280 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 10 . 1211 . 1 1 7 GLN CG C 39.346 21.211 16.655 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 10 . 1212 . 1 1 7 GLN H H 36.248 21.248 17.289 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 10 . 1213 . 1 1 7 GLN HA H 38.317 19.333 18.122 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 10 . 1214 . 1 1 7 GLN HB2 H 38.144 22.399 18.009 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 10 . 1215 . 1 1 7 GLN HB3 H 39.459 21.574 18.674 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 10 . 1216 . 1 1 7 GLN HE21 H 41.711 21.511 17.216 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 10 . 1217 . 1 1 7 GLN HE22 H 42.176 22.997 16.425 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 10 . 1218 . 1 1 7 GLN HG2 H 39.958 20.313 16.638 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 10 . 1219 . 1 1 7 GLN HG3 H 38.644 21.017 15.843 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 10 . 1220 . 1 1 7 GLN N N 36.529 20.310 17.521 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 10 . 1221 . 1 1 7 GLN NE2 N 41.465 22.343 16.696 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 10 . 1222 . 1 1 7 GLN O O 37.868 20.913 20.619 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 10 . 1223 . 1 1 7 GLN OE1 O 39.862 23.388 15.611 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 10 . 1224 . 1 1 8 . C C 35.745 19.987 22.390 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 10 . 1225 . 1 1 8 . CA C 36.384 18.864 21.585 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 10 . 1226 . 1 1 8 . CB C 35.633 17.539 21.689 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 10 . 1227 . 1 1 8 . CD C 36.980 16.151 23.348 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 10 . 1228 . 1 1 8 . CG C 35.666 16.863 23.060 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 10 . 1229 . 1 1 8 . H H 36.061 18.607 19.502 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 10 . 1230 . 1 1 8 . HA H 37.448 18.751 21.812 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 10 . 1231 . 1 1 8 . HB2 H 34.593 17.571 21.365 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 10 . 1232 . 1 1 8 . HB3 H 36.098 16.897 20.942 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 10 . 1233 . 1 1 8 . HE21 H 36.321 15.353 25.080 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 10 . 1234 . 1 1 8 . HE22 H 37.973 14.990 24.647 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 10 . 1235 . 1 1 8 . HG2 H 35.629 17.614 23.843 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 10 . 1236 . 1 1 8 . HG3 H 34.877 16.124 23.185 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 10 . 1237 . 1 1 8 . N N 36.467 19.240 20.187 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 10 . 1238 . 1 1 8 . NE2 N 37.055 15.312 24.386 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 10 . 1239 . 1 1 8 . O O 34.608 20.368 22.131 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 10 . 1240 . 1 1 8 . OE1 O 37.981 16.405 22.680 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 11 . 1241 . 1 1 1 ASP C C 35.906 22.980 23.007 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 11 . 1242 . 1 1 1 ASP CA C 36.147 21.792 23.923 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 11 . 1243 . 1 1 1 ASP CB C 37.281 22.242 24.846 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 11 . 1244 . 1 1 1 ASP CG C 37.875 21.125 25.696 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 11 . 1245 . 1 1 1 ASP H1 H 37.527 20.420 23.028 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 11 . 1246 . 1 1 1 ASP HA H 35.284 21.588 24.551 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 11 . 1247 . 1 1 1 ASP HB2 H 38.134 22.652 24.304 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 11 . 1248 . 1 1 1 ASP HB3 H 36.984 23.078 25.470 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 11 . 1249 . 1 1 1 ASP N N 36.556 20.604 23.197 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 11 . 1250 . 1 1 1 ASP O O 34.980 23.723 23.270 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 11 . 1251 . 1 1 1 ASP OD1 O 37.276 20.846 26.757 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 11 . 1252 . 1 1 1 ASP OD2 O 38.903 20.552 25.257 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 11 . 1253 . 1 1 2 ASP C C 35.208 23.581 19.920 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 11 . 1254 . 1 1 2 ASP CA C 36.244 24.126 20.887 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 11 . 1255 . 1 1 2 ASP CB C 37.513 24.679 20.258 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 11 . 1256 . 1 1 2 ASP CG C 37.371 25.793 19.228 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 11 . 1257 . 1 1 2 ASP H H 37.376 22.498 21.668 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 11 . 1258 . 1 1 2 ASP HA H 35.752 24.890 21.481 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 11 . 1259 . 1 1 2 ASP HB2 H 38.260 24.944 21.008 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 11 . 1260 . 1 1 2 ASP HB3 H 37.961 23.837 19.727 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 11 . 1261 . 1 1 2 ASP N N 36.609 23.124 21.871 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 11 . 1262 . 1 1 2 ASP O O 35.457 22.498 19.403 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 11 . 1263 . 1 1 2 ASP OD1 O 38.406 26.250 18.715 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 11 . 1264 . 1 1 2 ASP OD2 O 36.300 26.305 18.836 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 11 . 1265 . 1 1 3 PRO C C 33.623 23.889 17.244 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 11 . 1266 . 1 1 3 PRO CA C 33.127 23.861 18.685 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 11 . 1267 . 1 1 3 PRO CB C 31.926 24.801 18.758 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 11 . 1268 . 1 1 3 PRO CD C 33.614 25.486 20.332 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 11 . 1269 . 1 1 3 PRO CG C 32.542 26.042 19.399 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 11 . 1270 . 1 1 3 PRO HA H 32.729 22.863 18.866 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 11 . 1271 . 1 1 3 PRO HB2 H 31.467 24.933 17.776 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 11 . 1272 . 1 1 3 PRO HB3 H 31.231 24.398 19.485 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 11 . 1273 . 1 1 3 PRO HD2 H 34.386 26.256 20.388 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 11 . 1274 . 1 1 3 PRO HD3 H 33.177 25.164 21.276 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 11 . 1275 . 1 1 3 PRO HG2 H 33.021 26.587 18.587 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 11 . 1276 . 1 1 3 PRO HG3 H 31.875 26.762 19.875 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 11 . 1277 . 1 1 3 PRO N N 34.101 24.291 19.682 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 11 . 1278 . 1 1 3 PRO O O 33.088 23.325 16.292 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 11 . 1279 . 1 1 4 THR C C 35.736 23.574 15.075 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 11 . 1280 . 1 1 4 THR CA C 35.241 24.872 15.687 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 11 . 1281 . 1 1 4 THR CB C 36.350 25.917 15.622 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 11 . 1282 . 1 1 4 THR CG2 C 36.606 26.457 14.217 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 11 . 1283 . 1 1 4 THR H H 35.152 25.033 17.814 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 11 . 1284 . 1 1 4 THR HA H 34.391 25.214 15.098 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 11 . 1285 . 1 1 4 THR HB H 37.249 25.383 15.907 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 11 . 1286 . 1 1 4 THR HG1 H 36.137 26.764 17.350 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 11 . 1287 . 1 1 4 THR HG21 H 37.418 27.186 14.326 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 11 . 1288 . 1 1 4 THR HG22 H 35.704 26.959 13.861 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 11 . 1289 . 1 1 4 THR HG23 H 36.839 25.643 13.538 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 11 . 1290 . 1 1 4 THR N N 34.698 24.630 17.005 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 11 . 1291 . 1 1 4 THR O O 36.777 23.105 15.525 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 11 . 1292 . 1 1 4 THR OG1 O 36.139 27.053 16.435 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 11 . 1293 . 1 1 5 DPR C C 35.454 20.582 14.324 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 11 . 1294 . 1 1 5 DPR CA C 35.700 21.788 13.433 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 11 . 1295 . 1 1 5 DPR CB C 34.968 21.667 12.096 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 11 . 1296 . 1 1 5 DPR CD C 34.058 23.533 13.263 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 11 . 1297 . 1 1 5 DPR CG C 33.742 22.568 12.126 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 11 . 1298 . 1 1 5 DPR HA H 36.754 21.840 13.169 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 11 . 1299 . 1 1 5 DPR HB2 H 35.627 22.006 11.304 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 11 . 1300 . 1 1 5 DPR HB3 H 34.680 20.632 11.945 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 11 . 1301 . 1 1 5 DPR HD2 H 34.367 24.504 12.892 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 11 . 1302 . 1 1 5 DPR HD3 H 33.208 23.564 13.950 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 11 . 1303 . 1 1 5 DPR HG2 H 33.489 23.069 11.185 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 11 . 1304 . 1 1 5 DPR HG3 H 32.890 21.981 12.480 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 11 . 1305 . 1 1 5 DPR N N 35.263 23.073 13.929 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 11 . 1306 . 1 1 5 DPR O O 35.868 19.456 14.082 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 11 . 1307 . 1 1 6 . C C 35.711 19.317 17.088 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 11 . 1308 . 1 1 6 . CA C 34.446 19.779 16.375 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 11 . 1309 . 1 1 6 . CB C 33.378 20.233 17.368 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 11 . 1310 . 1 1 6 . CD C 31.751 19.634 19.169 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 11 . 1311 . 1 1 6 . CG C 32.734 19.090 18.145 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 11 . 1312 . 1 1 6 . CZ C 31.772 21.352 20.958 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 11 . 1313 . 1 1 6 . H H 34.305 21.732 15.605 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 11 . 1314 . 1 1 6 . HA H 34.052 18.944 15.809 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 11 . 1315 . 1 1 6 . HB2 H 33.880 20.924 18.051 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 11 . 1316 . 1 1 6 . HB3 H 32.620 20.751 16.784 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 11 . 1317 . 1 1 6 . HD2 H 31.105 20.365 18.683 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 11 . 1318 . 1 1 6 . HD3 H 31.135 18.786 19.476 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 11 . 1319 . 1 1 6 . HE H 33.218 19.976 20.671 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 11 . 1320 . 1 1 6 . HG2 H 32.353 18.365 17.422 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 11 . 1321 . 1 1 6 . HG3 H 33.493 18.469 18.635 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 11 . 1322 . 1 1 6 . HH11 H 33.224 21.408 22.257 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 11 . 1323 . 1 1 6 . HH12 H 31.909 22.530 22.678 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 11 . 1324 . 1 1 6 . HH21 H 30.124 21.422 19.855 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 11 . 1325 . 1 1 6 . HH22 H 30.141 22.500 21.290 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 11 . 1326 . 1 1 6 . N N 34.728 20.829 15.412 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 11 . 1327 . 1 1 6 . NE N 32.342 20.329 20.312 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 11 . 1328 . 1 1 6 . NH1 N 32.334 21.850 22.071 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 11 . 1329 . 1 1 6 . NH2 N 30.588 21.869 20.626 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 11 . 1330 . 1 1 6 . O O 35.908 18.130 17.296 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 11 . 1331 . 1 1 7 GLN C C 37.422 19.973 19.768 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 11 . 1332 . 1 1 7 GLN CA C 37.733 20.100 18.283 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 11 . 1333 . 1 1 7 GLN CB C 38.761 21.184 17.962 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 11 . 1334 . 1 1 7 GLN CD C 40.111 21.937 15.920 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 11 . 1335 . 1 1 7 GLN CG C 39.238 20.860 16.557 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 11 . 1336 . 1 1 7 GLN H H 36.074 21.204 17.476 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 11 . 1337 . 1 1 7 GLN HA H 38.121 19.112 18.064 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 11 . 1338 . 1 1 7 GLN HB2 H 38.228 22.137 18.056 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 11 . 1339 . 1 1 7 GLN HB3 H 39.579 21.198 18.680 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 11 . 1340 . 1 1 7 GLN HE21 H 40.367 20.915 14.211 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 11 . 1341 . 1 1 7 GLN HE22 H 40.891 22.530 14.072 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 11 . 1342 . 1 1 7 GLN HG2 H 39.860 19.966 16.654 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 11 . 1343 . 1 1 7 GLN HG3 H 38.328 20.689 15.986 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 11 . 1344 . 1 1 7 GLN N N 36.478 20.293 17.583 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 11 . 1345 . 1 1 7 GLN NE2 N 40.447 21.820 14.641 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 11 . 1346 . 1 1 7 GLN O O 37.897 20.823 20.523 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 11 . 1347 . 1 1 7 GLN OE1 O 40.423 22.946 16.545 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 11 . 1348 . 1 1 8 . C C 35.804 19.929 22.332 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 11 . 1349 . 1 1 8 . CA C 36.385 18.732 21.600 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 11 . 1350 . 1 1 8 . CB C 35.543 17.457 21.721 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 11 . 1351 . 1 1 8 . CD C 34.069 16.079 23.208 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 11 . 1352 . 1 1 8 . CG C 35.157 17.148 23.163 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 11 . 1353 . 1 1 8 . H H 36.272 18.287 19.545 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 11 . 1354 . 1 1 8 . HA H 37.297 18.473 22.137 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 11 . 1355 . 1 1 8 . HB2 H 34.660 17.316 21.103 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 11 . 1356 . 1 1 8 . HB3 H 36.175 16.620 21.439 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 11 . 1357 . 1 1 8 . HE21 H 32.626 17.376 22.467 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 11 . 1358 . 1 1 8 . HE22 H 32.155 15.725 22.820 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 11 . 1359 . 1 1 8 . HG2 H 36.064 16.815 23.676 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 11 . 1360 . 1 1 8 . HG3 H 34.701 17.987 23.682 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 11 . 1361 . 1 1 8 . N N 36.677 18.958 20.198 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 11 . 1362 . 1 1 8 . NE2 N 32.835 16.465 22.837 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 11 . 1363 . 1 1 8 . O O 34.709 20.370 21.985 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 11 . 1364 . 1 1 8 . OE1 O 34.332 14.954 23.605 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 12 . 1365 . 1 1 1 ASP C C 35.875 22.829 23.082 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 12 . 1366 . 1 1 1 ASP CA C 36.434 21.664 23.881 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 12 . 1367 . 1 1 1 ASP CB C 37.595 22.197 24.710 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 12 . 1368 . 1 1 1 ASP CG C 38.527 21.118 25.252 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 12 . 1369 . 1 1 1 ASP H1 H 37.813 20.463 22.915 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 12 . 1370 . 1 1 1 ASP HA H 35.588 21.299 24.450 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 12 . 1371 . 1 1 1 ASP HB2 H 38.126 22.906 24.066 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 12 . 1372 . 1 1 1 ASP HB3 H 37.206 22.672 25.615 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 12 . 1373 . 1 1 1 ASP N N 36.815 20.501 23.104 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 12 . 1374 . 1 1 1 ASP O O 35.329 23.812 23.582 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 12 . 1375 . 1 1 1 ASP OD1 O 38.439 20.829 26.464 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 12 . 1376 . 1 1 1 ASP OD2 O 39.350 20.581 24.479 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 12 . 1377 . 1 1 2 ASP C C 35.004 23.402 19.720 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 12 . 1378 . 1 1 2 ASP CA C 35.932 23.846 20.845 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 12 . 1379 . 1 1 2 ASP CB C 37.275 24.371 20.353 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 12 . 1380 . 1 1 2 ASP CG C 37.272 25.645 19.511 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 12 . 1381 . 1 1 2 ASP H H 36.717 22.017 21.417 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 12 . 1382 . 1 1 2 ASP HA H 35.482 24.610 21.484 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 12 . 1383 . 1 1 2 ASP HB2 H 37.967 24.604 21.157 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 12 . 1384 . 1 1 2 ASP HB3 H 37.683 23.567 19.728 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 12 . 1385 . 1 1 2 ASP N N 36.138 22.758 21.776 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 12 . 1386 . 1 1 2 ASP O O 35.366 22.491 18.979 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 12 . 1387 . 1 1 2 ASP OD1 O 38.279 26.373 19.442 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 12 . 1388 . 1 1 2 ASP OD2 O 36.194 26.007 18.996 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 12 . 1389 . 1 1 3 PRO C C 33.731 24.096 16.981 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 12 . 1390 . 1 1 3 PRO CA C 33.026 23.922 18.322 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 12 . 1391 . 1 1 3 PRO CB C 31.793 24.805 18.465 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 12 . 1392 . 1 1 3 PRO CD C 33.301 25.084 20.327 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 12 . 1393 . 1 1 3 PRO CG C 31.822 25.089 19.960 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 12 . 1394 . 1 1 3 PRO HA H 32.631 22.912 18.429 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 12 . 1395 . 1 1 3 PRO HB2 H 31.952 25.713 17.879 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 12 . 1396 . 1 1 3 PRO HB3 H 30.915 24.296 18.053 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 12 . 1397 . 1 1 3 PRO HD2 H 33.779 26.064 20.188 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 12 . 1398 . 1 1 3 PRO HD3 H 33.504 24.747 21.346 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 12 . 1399 . 1 1 3 PRO HG2 H 31.335 26.001 20.314 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 12 . 1400 . 1 1 3 PRO HG3 H 31.342 24.250 20.451 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 12 . 1401 . 1 1 3 PRO N N 33.901 24.092 19.461 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 12 . 1402 . 1 1 3 PRO O O 33.176 23.639 15.990 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 12 . 1403 . 1 1 4 THR C C 35.966 23.559 15.081 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 12 . 1404 . 1 1 4 THR CA C 35.609 24.918 15.662 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 12 . 1405 . 1 1 4 THR CB C 36.834 25.817 15.768 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 12 . 1406 . 1 1 4 THR CG2 C 37.227 26.260 14.359 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 12 . 1407 . 1 1 4 THR H H 35.405 24.927 17.766 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 12 . 1408 . 1 1 4 THR HA H 34.869 25.437 15.059 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 12 . 1409 . 1 1 4 THR HB H 37.675 25.341 16.260 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 12 . 1410 . 1 1 4 THR HG1 H 36.589 26.614 17.430 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 12 . 1411 . 1 1 4 THR HG21 H 37.750 25.440 13.883 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 12 . 1412 . 1 1 4 THR HG22 H 37.887 27.122 14.472 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 12 . 1413 . 1 1 4 THR HG23 H 36.285 26.540 13.885 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 12 . 1414 . 1 1 4 THR N N 34.912 24.703 16.917 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 12 . 1415 . 1 1 4 THR O O 36.755 22.897 15.746 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 12 . 1416 . 1 1 4 THR OG1 O 36.604 26.981 16.543 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 12 . 1417 . 1 1 5 DPR C C 35.297 20.525 14.369 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 12 . 1418 . 1 1 5 DPR CA C 35.617 21.732 13.497 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 12 . 1419 . 1 1 5 DPR CB C 34.867 21.659 12.170 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 12 . 1420 . 1 1 5 DPR CD C 34.540 23.870 13.119 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 12 . 1421 . 1 1 5 DPR CG C 33.879 22.823 12.227 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 12 . 1422 . 1 1 5 DPR HA H 36.642 21.575 13.145 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 12 . 1423 . 1 1 5 DPR HB2 H 35.610 21.871 11.409 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 12 . 1424 . 1 1 5 DPR HB3 H 34.377 20.696 12.053 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 12 . 1425 . 1 1 5 DPR HD2 H 35.162 24.444 12.423 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 12 . 1426 . 1 1 5 DPR HD3 H 33.719 24.452 13.535 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 12 . 1427 . 1 1 5 DPR HG2 H 33.580 23.206 11.249 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 12 . 1428 . 1 1 5 DPR HG3 H 33.002 22.466 12.759 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 12 . 1429 . 1 1 5 DPR N N 35.375 23.075 13.985 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 12 . 1430 . 1 1 5 DPR O O 35.754 19.416 14.081 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 12 . 1431 . 1 1 6 . C C 35.492 19.388 17.194 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 12 . 1432 . 1 1 6 . CA C 34.212 19.805 16.482 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 12 . 1433 . 1 1 6 . CB C 33.164 20.267 17.489 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 12 . 1434 . 1 1 6 . CD C 31.765 19.782 19.560 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 12 . 1435 . 1 1 6 . CG C 32.720 19.226 18.506 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 12 . 1436 . 1 1 6 . CZ C 31.868 21.307 21.510 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 12 . 1437 . 1 1 6 . H H 34.221 21.716 15.561 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 12 . 1438 . 1 1 6 . HA H 33.699 18.963 16.036 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 12 . 1439 . 1 1 6 . HB2 H 33.541 21.127 18.041 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 12 . 1440 . 1 1 6 . HB3 H 32.236 20.575 16.994 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 12 . 1441 . 1 1 6 . HD2 H 30.955 20.391 19.171 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 12 . 1442 . 1 1 6 . HD3 H 31.204 18.930 19.949 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 12 . 1443 . 1 1 6 . HE H 33.353 20.053 20.955 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 12 . 1444 . 1 1 6 . HG2 H 32.138 18.517 17.916 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 12 . 1445 . 1 1 6 . HG3 H 33.492 18.687 19.052 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 12 . 1446 . 1 1 6 . HH11 H 33.453 21.402 22.727 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 12 . 1447 . 1 1 6 . HH12 H 32.182 22.389 23.264 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 12 . 1448 . 1 1 6 . HH21 H 29.951 21.133 20.862 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 12 . 1449 . 1 1 6 . HH22 H 30.193 22.359 22.025 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 12 . 1450 . 1 1 6 . N N 34.525 20.758 15.434 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 12 . 1451 . 1 1 6 . NE N 32.425 20.393 20.720 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 12 . 1452 . 1 1 6 . NH1 N 32.583 21.855 22.502 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 12 . 1453 . 1 1 6 . NH2 N 30.597 21.717 21.354 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 12 . 1454 . 1 1 6 . O O 35.606 18.174 17.370 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 12 . 1455 . 1 1 7 GLN C C 37.547 19.784 19.689 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 12 . 1456 . 1 1 7 GLN CA C 37.696 19.903 18.172 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 12 . 1457 . 1 1 7 GLN CB C 38.716 20.943 17.743 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 12 . 1458 . 1 1 7 GLN CD C 40.300 21.987 16.136 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 12 . 1459 . 1 1 7 GLN CG C 39.302 20.848 16.336 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 12 . 1460 . 1 1 7 GLN H H 36.101 21.197 17.379 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 12 . 1461 . 1 1 7 GLN HA H 37.950 18.946 17.720 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 12 . 1462 . 1 1 7 GLN HB2 H 38.252 21.930 17.723 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 12 . 1463 . 1 1 7 GLN HB3 H 39.567 21.016 18.421 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 12 . 1464 . 1 1 7 GLN HE21 H 38.669 23.113 15.700 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 12 . 1465 . 1 1 7 GLN HE22 H 40.190 23.976 15.838 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 12 . 1466 . 1 1 7 GLN HG2 H 39.735 19.859 16.143 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 12 . 1467 . 1 1 7 GLN HG3 H 38.453 20.961 15.666 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 12 . 1468 . 1 1 7 GLN N N 36.448 20.258 17.532 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 12 . 1469 . 1 1 7 GLN NE2 N 39.663 23.117 15.852 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 12 . 1470 . 1 1 7 GLN O O 38.293 20.421 20.429 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 12 . 1471 . 1 1 7 GLN OE1 O 41.527 21.896 16.180 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 12 . 1472 . 1 1 8 . C C 35.972 19.799 22.345 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 12 . 1473 . 1 1 8 . CA C 36.594 18.630 21.589 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 12 . 1474 . 1 1 8 . CB C 35.921 17.273 21.759 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 12 . 1475 . 1 1 8 . CD C 34.847 15.512 23.263 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 12 . 1476 . 1 1 8 . CG C 35.641 16.802 23.187 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 12 . 1477 . 1 1 8 . H H 36.127 18.387 19.496 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 12 . 1478 . 1 1 8 . HA H 37.621 18.562 21.960 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 12 . 1479 . 1 1 8 . HB2 H 34.979 17.291 21.203 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 12 . 1480 . 1 1 8 . HB3 H 36.570 16.529 21.309 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 12 . 1481 . 1 1 8 . HE21 H 35.585 15.187 25.151 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 12 . 1482 . 1 1 8 . HE22 H 34.491 13.974 24.444 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 12 . 1483 . 1 1 8 . HG2 H 36.592 16.722 23.710 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 12 . 1484 . 1 1 8 . HG3 H 35.088 17.555 23.758 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 12 . 1485 . 1 1 8 . N N 36.630 18.952 20.173 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 12 . 1486 . 1 1 8 . NE2 N 34.983 14.851 24.416 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 12 . 1487 . 1 1 8 . O O 34.817 20.161 22.158 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 12 . 1488 . 1 1 8 . OE1 O 34.108 15.074 22.376 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 13 . 1489 . 1 1 1 ASP C C 35.490 22.656 22.839 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 13 . 1490 . 1 1 1 ASP CA C 35.544 21.441 23.759 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 13 . 1491 . 1 1 1 ASP CB C 35.948 21.894 25.162 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 13 . 1492 . 1 1 1 ASP CG C 36.248 20.713 26.080 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 13 . 1493 . 1 1 1 ASP H1 H 37.298 20.489 22.933 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 13 . 1494 . 1 1 1 ASP HA H 34.532 21.058 23.832 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 13 . 1495 . 1 1 1 ASP HB2 H 36.839 22.508 25.049 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 13 . 1496 . 1 1 1 ASP HB3 H 35.162 22.551 25.540 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 13 . 1497 . 1 1 1 ASP N N 36.372 20.344 23.321 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 13 . 1498 . 1 1 1 ASP O O 34.622 23.504 23.002 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 13 . 1499 . 1 1 1 ASP OD1 O 37.291 20.746 26.782 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 13 . 1500 . 1 1 1 ASP OD2 O 35.365 19.860 26.293 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 13 . 1501 . 1 1 2 ASP C C 35.397 23.639 19.902 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 13 . 1502 . 1 1 2 ASP CA C 36.407 24.017 20.970 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 13 . 1503 . 1 1 2 ASP CB C 37.812 24.266 20.417 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 13 . 1504 . 1 1 2 ASP CG C 37.855 25.345 19.352 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 13 . 1505 . 1 1 2 ASP H H 37.193 22.284 21.826 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 13 . 1506 . 1 1 2 ASP HA H 36.182 24.951 21.489 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 13 . 1507 . 1 1 2 ASP HB2 H 38.493 24.653 21.172 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 13 . 1508 . 1 1 2 ASP HB3 H 38.166 23.369 19.918 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 13 . 1509 . 1 1 2 ASP N N 36.464 22.965 21.974 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 13 . 1510 . 1 1 2 ASP O O 35.628 22.594 19.288 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 13 . 1511 . 1 1 2 ASP OD1 O 38.980 25.725 18.970 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 13 . 1512 . 1 1 2 ASP OD2 O 36.856 25.901 18.838 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 13 . 1513 . 1 1 3 PRO C C 33.826 23.917 17.125 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 13 . 1514 . 1 1 3 PRO CA C 33.388 24.130 18.563 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 13 . 1515 . 1 1 3 PRO CB C 32.270 25.162 18.689 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 13 . 1516 . 1 1 3 PRO CD C 33.858 25.490 20.440 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 13 . 1517 . 1 1 3 PRO CG C 32.422 25.815 20.057 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 13 . 1518 . 1 1 3 PRO HA H 32.889 23.176 18.728 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 13 . 1519 . 1 1 3 PRO HB2 H 32.413 25.858 17.848 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 13 . 1520 . 1 1 3 PRO HB3 H 31.267 24.753 18.556 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 13 . 1521 . 1 1 3 PRO HD2 H 34.473 26.359 20.203 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 13 . 1522 . 1 1 3 PRO HD3 H 33.916 25.250 21.502 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 13 . 1523 . 1 1 3 PRO HG2 H 32.372 26.896 19.941 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 13 . 1524 . 1 1 3 PRO HG3 H 31.681 25.392 20.737 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 13 . 1525 . 1 1 3 PRO N N 34.350 24.409 19.613 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 13 . 1526 . 1 1 3 PRO O O 33.186 23.207 16.354 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 13 . 1527 . 1 1 4 THR C C 35.684 23.362 14.972 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 13 . 1528 . 1 1 4 THR CA C 35.462 24.776 15.497 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 13 . 1529 . 1 1 4 THR CB C 36.750 25.600 15.475 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 13 . 1530 . 1 1 4 THR CG2 C 36.979 26.172 14.078 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 13 . 1531 . 1 1 4 THR H H 35.400 25.011 17.632 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 13 . 1532 . 1 1 4 THR HA H 34.792 25.302 14.813 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 13 . 1533 . 1 1 4 THR HB H 37.552 24.999 15.884 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 13 . 1534 . 1 1 4 THR HG1 H 36.649 26.355 17.246 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 13 . 1535 . 1 1 4 THR HG21 H 36.096 26.635 13.642 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 13 . 1536 . 1 1 4 THR HG22 H 37.235 25.375 13.385 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 13 . 1537 . 1 1 4 THR HG23 H 37.775 26.915 14.116 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 13 . 1538 . 1 1 4 THR N N 34.921 24.621 16.825 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 13 . 1539 . 1 1 4 THR O O 36.464 22.605 15.541 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 13 . 1540 . 1 1 4 THR OG1 O 36.534 26.684 16.347 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 13 . 1541 . 1 1 5 DPR C C 35.016 20.488 14.276 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 13 . 1542 . 1 1 5 DPR CA C 35.159 21.650 13.297 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 13 . 1543 . 1 1 5 DPR CB C 34.274 21.615 12.069 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 13 . 1544 . 1 1 5 DPR CD C 34.143 23.775 13.058 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 13 . 1545 . 1 1 5 DPR CG C 33.301 22.783 12.259 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 13 . 1546 . 1 1 5 DPR HA H 36.197 21.560 12.971 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 13 . 1547 . 1 1 5 DPR HB2 H 34.822 21.744 11.137 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 13 . 1548 . 1 1 5 DPR HB3 H 33.690 20.696 12.000 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 13 . 1549 . 1 1 5 DPR HD2 H 34.697 24.391 12.355 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 13 . 1550 . 1 1 5 DPR HD3 H 33.476 24.436 13.621 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 13 . 1551 . 1 1 5 DPR HG2 H 32.979 23.274 11.331 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 13 . 1552 . 1 1 5 DPR HG3 H 32.546 22.340 12.906 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 13 . 1553 . 1 1 5 DPR N N 34.996 22.964 13.899 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 13 . 1554 . 1 1 5 DPR O O 35.114 19.341 13.850 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 13 . 1555 . 1 1 6 . C C 35.756 19.349 17.143 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 13 . 1556 . 1 1 6 . CA C 34.401 19.792 16.631 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 13 . 1557 . 1 1 6 . CB C 33.339 20.193 17.654 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 13 . 1558 . 1 1 6 . CD C 32.066 19.548 19.697 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 13 . 1559 . 1 1 6 . CG C 33.043 19.067 18.636 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 13 . 1560 . 1 1 6 . CZ C 31.721 21.276 21.381 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 13 . 1561 . 1 1 6 . H H 34.271 21.633 15.731 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 13 . 1562 . 1 1 6 . HA H 34.059 18.843 16.206 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 13 . 1563 . 1 1 6 . HB2 H 33.824 21.007 18.191 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 13 . 1564 . 1 1 6 . HB3 H 32.420 20.482 17.129 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 13 . 1565 . 1 1 6 . HD2 H 31.188 19.854 19.126 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 13 . 1566 . 1 1 6 . HD3 H 31.690 18.692 20.257 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 13 . 1567 . 1 1 6 . HE H 33.509 20.536 20.913 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 13 . 1568 . 1 1 6 . HG2 H 32.602 18.257 18.053 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 13 . 1569 . 1 1 6 . HG3 H 33.964 18.635 19.028 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 13 . 1570 . 1 1 6 . HH11 H 33.153 22.504 22.209 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 13 . 1571 . 1 1 6 . HH12 H 31.533 22.684 22.835 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 13 . 1572 . 1 1 6 . HH21 H 30.219 20.109 21.050 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 13 . 1573 . 1 1 6 . HH22 H 29.866 21.519 22.127 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 13 . 1574 . 1 1 6 . N N 34.534 20.689 15.496 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 13 . 1575 . 1 1 6 . NE N 32.561 20.606 20.580 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 13 . 1576 . 1 1 6 . NH1 N 32.170 22.266 22.175 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 13 . 1577 . 1 1 6 . NH2 N 30.420 21.013 21.452 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 13 . 1578 . 1 1 6 . O O 35.880 18.155 17.400 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 13 . 1579 . 1 1 7 GLN C C 37.749 19.959 19.673 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 13 . 1580 . 1 1 7 GLN CA C 37.918 19.989 18.163 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 13 . 1581 . 1 1 7 GLN CB C 38.893 21.078 17.731 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 13 . 1582 . 1 1 7 GLN CD C 39.983 21.911 15.583 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 13 . 1583 . 1 1 7 GLN CG C 39.464 20.718 16.362 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 13 . 1584 . 1 1 7 GLN H H 36.320 21.211 17.364 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 13 . 1585 . 1 1 7 GLN HA H 38.293 19.021 17.827 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 13 . 1586 . 1 1 7 GLN HB2 H 38.424 22.058 17.700 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 13 . 1587 . 1 1 7 GLN HB3 H 39.768 21.035 18.392 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 13 . 1588 . 1 1 7 GLN HE21 H 38.203 22.523 15.024 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 13 . 1589 . 1 1 7 GLN HE22 H 39.591 23.488 14.398 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 13 . 1590 . 1 1 7 GLN HG2 H 40.275 20.008 16.530 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 13 . 1591 . 1 1 7 GLN HG3 H 38.721 20.207 15.749 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 13 . 1592 . 1 1 7 GLN N N 36.659 20.273 17.514 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 13 . 1593 . 1 1 7 GLN NE2 N 39.185 22.670 14.831 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 13 . 1594 . 1 1 7 GLN O O 38.229 20.751 20.476 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 13 . 1595 . 1 1 7 GLN OE1 O 41.176 22.164 15.674 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 13 . 1596 . 1 1 8 . C C 35.989 19.697 22.213 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 13 . 1597 . 1 1 8 . CA C 36.841 18.625 21.570 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 13 . 1598 . 1 1 8 . CB C 36.238 17.235 21.794 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 13 . 1599 . 1 1 8 . CD C 35.693 15.261 23.428 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 13 . 1600 . 1 1 8 . CG C 36.129 16.713 23.216 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 13 . 1601 . 1 1 8 . H H 36.538 18.361 19.517 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 13 . 1602 . 1 1 8 . HA H 37.831 18.660 22.044 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 13 . 1603 . 1 1 8 . HB2 H 35.294 17.243 21.249 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 13 . 1604 . 1 1 8 . HB3 H 36.830 16.570 21.174 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 13 . 1605 . 1 1 8 . HE21 H 35.609 15.577 25.377 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 13 . 1606 . 1 1 8 . HE22 H 35.325 13.928 24.852 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 13 . 1607 . 1 1 8 . HG2 H 37.104 16.747 23.682 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 13 . 1608 . 1 1 8 . HG3 H 35.418 17.383 23.699 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 13 . 1609 . 1 1 8 . N N 37.026 18.947 20.173 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 13 . 1610 . 1 1 8 . NE2 N 35.320 14.923 24.661 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 13 . 1611 . 1 1 8 . O O 34.888 19.923 21.711 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 13 . 1612 . 1 1 8 . OE1 O 35.565 14.512 22.462 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 14 . 1613 . 1 1 1 ASP C C 35.665 22.753 22.968 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 14 . 1614 . 1 1 1 ASP CA C 35.817 21.538 23.862 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 14 . 1615 . 1 1 1 ASP CB C 36.563 22.026 25.095 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 14 . 1616 . 1 1 1 ASP CG C 38.031 22.428 24.978 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 14 . 1617 . 1 1 1 ASP H1 H 37.467 20.414 23.183 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 14 . 1618 . 1 1 1 ASP HA H 34.819 21.283 24.215 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 14 . 1619 . 1 1 1 ASP HB2 H 36.016 22.875 25.498 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 14 . 1620 . 1 1 1 ASP HB3 H 36.435 21.346 25.933 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 14 . 1621 . 1 1 1 ASP N N 36.456 20.404 23.221 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 14 . 1622 . 1 1 1 ASP O O 34.807 23.619 23.106 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 14 . 1623 . 1 1 1 ASP OD1 O 38.783 21.860 24.150 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 14 . 1624 . 1 1 1 ASP OD2 O 38.528 23.258 25.767 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 14 . 1625 . 1 1 2 ASP C C 35.353 23.600 19.914 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 14 . 1626 . 1 1 2 ASP CA C 36.335 24.049 20.981 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 14 . 1627 . 1 1 2 ASP CB C 37.704 24.405 20.404 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 14 . 1628 . 1 1 2 ASP CG C 37.804 25.349 19.210 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 14 . 1629 . 1 1 2 ASP H H 37.037 22.163 21.767 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 14 . 1630 . 1 1 2 ASP HA H 35.948 25.002 21.340 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 14 . 1631 . 1 1 2 ASP HB2 H 38.181 24.914 21.237 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 14 . 1632 . 1 1 2 ASP HB3 H 38.150 23.450 20.108 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 14 . 1633 . 1 1 2 ASP N N 36.501 22.994 21.951 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 14 . 1634 . 1 1 2 ASP O O 35.517 22.498 19.395 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 14 . 1635 . 1 1 2 ASP OD1 O 38.950 25.580 18.775 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 14 . 1636 . 1 1 2 ASP OD2 O 36.806 26.013 18.863 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 14 . 1637 . 1 1 3 PRO C C 33.955 23.870 17.185 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 14 . 1638 . 1 1 3 PRO CA C 33.351 23.948 18.585 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 14 . 1639 . 1 1 3 PRO CB C 32.181 24.930 18.571 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 14 . 1640 . 1 1 3 PRO CD C 33.929 25.620 20.205 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 14 . 1641 . 1 1 3 PRO CG C 32.623 26.033 19.528 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 14 . 1642 . 1 1 3 PRO HA H 33.021 22.935 18.841 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 14 . 1643 . 1 1 3 PRO HB2 H 31.913 25.306 17.582 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 14 . 1644 . 1 1 3 PRO HB3 H 31.433 24.370 19.119 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 14 . 1645 . 1 1 3 PRO HD2 H 34.758 26.293 19.974 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 14 . 1646 . 1 1 3 PRO HD3 H 33.848 25.492 21.287 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 14 . 1647 . 1 1 3 PRO HG2 H 32.692 27.023 19.087 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 14 . 1648 . 1 1 3 PRO HG3 H 31.993 25.943 20.420 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 14 . 1649 . 1 1 3 PRO N N 34.303 24.365 19.591 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 14 . 1650 . 1 1 3 PRO O O 33.292 23.233 16.366 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 14 . 1651 . 1 1 4 THR C C 35.938 23.474 14.852 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 14 . 1652 . 1 1 4 THR CA C 35.546 24.792 15.507 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 14 . 1653 . 1 1 4 THR CB C 36.762 25.696 15.578 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 14 . 1654 . 1 1 4 THR CG2 C 37.202 26.115 14.171 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 14 . 1655 . 1 1 4 THR H H 35.580 25.011 17.565 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 14 . 1656 . 1 1 4 THR HA H 34.795 25.371 14.967 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 14 . 1657 . 1 1 4 THR HB H 37.590 25.161 16.039 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 14 . 1658 . 1 1 4 THR HG1 H 36.653 26.568 17.292 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 14 . 1659 . 1 1 4 THR HG21 H 37.286 25.295 13.465 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 14 . 1660 . 1 1 4 THR HG22 H 38.157 26.638 14.248 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 14 . 1661 . 1 1 4 THR HG23 H 36.642 26.952 13.755 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 14 . 1662 . 1 1 4 THR N N 35.075 24.512 16.842 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 14 . 1663 . 1 1 4 THR O O 36.901 22.804 15.233 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 14 . 1664 . 1 1 4 THR OG1 O 36.531 26.837 16.382 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 14 . 1665 . 1 1 5 DPR C C 35.021 20.534 14.293 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 14 . 1666 . 1 1 5 DPR CA C 35.196 21.692 13.319 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 14 . 1667 . 1 1 5 DPR CB C 34.176 21.598 12.183 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 14 . 1668 . 1 1 5 DPR CD C 33.985 23.726 13.366 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 14 . 1669 . 1 1 5 DPR CG C 33.174 22.642 12.652 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 14 . 1670 . 1 1 5 DPR HA H 36.176 21.562 12.869 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 14 . 1671 . 1 1 5 DPR HB2 H 34.647 21.852 11.232 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 14 . 1672 . 1 1 5 DPR HB3 H 33.606 20.682 12.014 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 14 . 1673 . 1 1 5 DPR HD2 H 34.455 24.433 12.678 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 14 . 1674 . 1 1 5 DPR HD3 H 33.365 24.310 14.042 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 14 . 1675 . 1 1 5 DPR HG2 H 32.632 23.089 11.817 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 14 . 1676 . 1 1 5 DPR HG3 H 32.561 22.166 13.406 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 14 . 1677 . 1 1 5 DPR N N 35.093 22.995 13.929 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 14 . 1678 . 1 1 5 DPR O O 35.400 19.410 13.972 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 14 . 1679 . 1 1 6 . C C 35.758 19.306 17.178 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 14 . 1680 . 1 1 6 . CA C 34.434 19.686 16.553 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 14 . 1681 . 1 1 6 . CB C 33.419 20.164 17.602 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 14 . 1682 . 1 1 6 . CD C 31.941 19.651 19.739 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 14 . 1683 . 1 1 6 . CG C 32.976 19.208 18.713 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 14 . 1684 . 1 1 6 . CZ C 31.823 21.828 21.019 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 14 . 1685 . 1 1 6 . H H 33.966 21.515 15.734 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 14 . 1686 . 1 1 6 . HA H 34.019 18.792 16.084 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 14 . 1687 . 1 1 6 . HB2 H 33.899 21.019 18.060 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 14 . 1688 . 1 1 6 . HB3 H 32.499 20.527 17.160 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 14 . 1689 . 1 1 6 . HD2 H 31.048 19.993 19.209 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 14 . 1690 . 1 1 6 . HD3 H 31.638 18.805 20.349 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 14 . 1691 . 1 1 6 . HE H 33.362 20.545 20.983 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 14 . 1692 . 1 1 6 . HG2 H 32.504 18.299 18.337 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 14 . 1693 . 1 1 6 . HG3 H 33.889 18.917 19.214 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 14 . 1694 . 1 1 6 . HH11 H 33.337 22.738 22.010 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 14 . 1695 . 1 1 6 . HH12 H 31.733 23.561 22.000 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 14 . 1696 . 1 1 6 . HH21 H 30.001 21.484 20.193 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 14 . 1697 . 1 1 6 . HH22 H 30.071 22.837 21.294 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 14 . 1698 . 1 1 6 . N N 34.520 20.705 15.520 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 14 . 1699 . 1 1 6 . NE N 32.461 20.742 20.571 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 14 . 1700 . 1 1 6 . NH1 N 32.357 22.812 21.757 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 14 . 1701 . 1 1 6 . NH2 N 30.532 22.107 20.787 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 14 . 1702 . 1 1 6 . O O 36.049 18.145 17.487 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 14 . 1703 . 1 1 7 GLN C C 37.576 19.978 19.624 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 14 . 1704 . 1 1 7 GLN CA C 37.886 20.076 18.139 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 14 . 1705 . 1 1 7 GLN CB C 38.923 21.131 17.775 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 14 . 1706 . 1 1 7 GLN CD C 40.444 22.080 16.106 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 14 . 1707 . 1 1 7 GLN CG C 39.555 20.883 16.408 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 14 . 1708 . 1 1 7 GLN H H 36.432 21.210 17.088 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 14 . 1709 . 1 1 7 GLN HA H 38.275 19.076 17.935 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 14 . 1710 . 1 1 7 GLN HB2 H 38.560 22.150 17.883 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 14 . 1711 . 1 1 7 GLN HB3 H 39.760 20.943 18.455 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 14 . 1712 . 1 1 7 GLN HE21 H 38.796 23.063 15.450 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 14 . 1713 . 1 1 7 GLN HE22 H 40.338 23.966 15.488 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 14 . 1714 . 1 1 7 GLN HG2 H 40.079 19.929 16.313 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 14 . 1715 . 1 1 7 GLN HG3 H 38.789 20.834 15.632 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 14 . 1716 . 1 1 7 GLN N N 36.666 20.267 17.378 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 14 . 1717 . 1 1 7 GLN NE2 N 39.771 23.160 15.707 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 14 . 1718 . 1 1 7 GLN O O 38.014 20.825 20.403 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 14 . 1719 . 1 1 7 GLN OE1 O 41.667 22.168 16.120 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 14 . 1720 . 1 1 8 . C C 35.833 19.752 22.243 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 14 . 1721 . 1 1 8 . CA C 36.556 18.638 21.503 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 14 . 1722 . 1 1 8 . CB C 35.741 17.347 21.566 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 14 . 1723 . 1 1 8 . CD C 34.999 15.474 23.123 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 14 . 1724 . 1 1 8 . CG C 35.659 16.836 23.000 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 14 . 1725 . 1 1 8 . H H 36.495 18.348 19.427 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 14 . 1726 . 1 1 8 . HA H 37.494 18.484 22.045 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 14 . 1727 . 1 1 8 . HB2 H 34.753 17.525 21.150 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 14 . 1728 . 1 1 8 . HB3 H 36.275 16.600 20.977 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 14 . 1729 . 1 1 8 . HE21 H 33.135 16.129 22.518 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 14 . 1730 . 1 1 8 . HE22 H 33.237 14.457 22.896 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 14 . 1731 . 1 1 8 . HG2 H 36.711 16.761 23.275 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 14 . 1732 . 1 1 8 . HG3 H 35.251 17.481 23.779 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 14 . 1733 . 1 1 8 . N N 36.863 18.975 20.119 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 14 . 1734 . 1 1 8 . NE2 N 33.700 15.353 22.818 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 14 . 1735 . 1 1 8 . O O 34.715 20.204 21.987 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 14 . 1736 . 1 1 8 . OE1 O 35.643 14.506 23.524 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 15 . 1737 . 1 1 1 ASP C C 35.582 22.656 22.838 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 15 . 1738 . 1 1 1 ASP CA C 35.955 21.527 23.792 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 15 . 1739 . 1 1 1 ASP CB C 36.774 22.115 24.932 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 15 . 1740 . 1 1 1 ASP CG C 37.159 21.064 25.958 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 15 . 1741 . 1 1 1 ASP H1 H 37.424 20.060 23.608 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 15 . 1742 . 1 1 1 ASP HA H 35.018 21.168 24.191 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 15 . 1743 . 1 1 1 ASP HB2 H 37.698 22.504 24.514 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 15 . 1744 . 1 1 1 ASP HB3 H 36.107 22.827 25.430 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 15 . 1745 . 1 1 1 ASP N N 36.541 20.343 23.194 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 15 . 1746 . 1 1 1 ASP O O 34.648 23.414 23.118 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 15 . 1747 . 1 1 1 ASP OD1 O 36.437 21.003 26.981 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 15 . 1748 . 1 1 1 ASP OD2 O 38.184 20.361 25.801 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 15 . 1749 . 1 1 2 ASP C C 35.191 23.536 19.688 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 15 . 1750 . 1 1 2 ASP CA C 36.151 23.909 20.812 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 15 . 1751 . 1 1 2 ASP CB C 37.512 24.418 20.379 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 15 . 1752 . 1 1 2 ASP CG C 37.490 25.616 19.433 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 15 . 1753 . 1 1 2 ASP H H 36.955 22.051 21.576 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 15 . 1754 . 1 1 2 ASP HA H 35.685 24.746 21.329 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 15 . 1755 . 1 1 2 ASP HB2 H 38.181 24.673 21.206 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 15 . 1756 . 1 1 2 ASP HB3 H 37.919 23.613 19.763 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 15 . 1757 . 1 1 2 ASP N N 36.329 22.827 21.749 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 15 . 1758 . 1 1 2 ASP O O 35.344 22.553 18.968 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 15 . 1759 . 1 1 2 ASP OD1 O 36.447 25.941 18.835 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 15 . 1760 . 1 1 2 ASP OD2 O 38.605 26.160 19.286 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 15 . 1761 . 1 1 3 PRO C C 33.753 24.131 17.048 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 15 . 1762 . 1 1 3 PRO CA C 33.146 24.029 18.443 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 15 . 1763 . 1 1 3 PRO CB C 32.051 25.088 18.535 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 15 . 1764 . 1 1 3 PRO CD C 33.703 25.520 20.151 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 15 . 1765 . 1 1 3 PRO CG C 32.807 26.251 19.150 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 15 . 1766 . 1 1 3 PRO HA H 32.603 23.086 18.506 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 15 . 1767 . 1 1 3 PRO HB2 H 31.704 25.296 17.518 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 15 . 1768 . 1 1 3 PRO HB3 H 31.356 24.596 19.224 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 15 . 1769 . 1 1 3 PRO HD2 H 34.576 26.156 20.301 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 15 . 1770 . 1 1 3 PRO HD3 H 33.161 25.369 21.081 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 15 . 1771 . 1 1 3 PRO HG2 H 33.441 26.768 18.434 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 15 . 1772 . 1 1 3 PRO HG3 H 32.135 26.955 19.648 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 15 . 1773 . 1 1 3 PRO N N 34.098 24.275 19.505 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 15 . 1774 . 1 1 3 PRO O O 33.123 23.579 16.147 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 15 . 1775 . 1 1 4 THR C C 35.968 23.407 15.004 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 15 . 1776 . 1 1 4 THR CA C 35.660 24.773 15.596 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 15 . 1777 . 1 1 4 THR CB C 36.963 25.555 15.725 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 15 . 1778 . 1 1 4 THR CG2 C 37.759 25.817 14.455 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 15 . 1779 . 1 1 4 THR H H 35.362 25.160 17.642 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 15 . 1780 . 1 1 4 THR HA H 35.050 25.283 14.846 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 15 . 1781 . 1 1 4 THR HB H 37.510 25.001 16.480 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 15 . 1782 . 1 1 4 THR HG1 H 36.390 26.706 17.242 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 15 . 1783 . 1 1 4 THR HG21 H 38.660 26.360 14.730 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 15 . 1784 . 1 1 4 THR HG22 H 37.177 26.455 13.782 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 15 . 1785 . 1 1 4 THR HG23 H 38.065 24.881 13.995 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 15 . 1786 . 1 1 4 THR N N 34.914 24.760 16.834 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 15 . 1787 . 1 1 4 THR O O 36.843 22.725 15.538 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 15 . 1788 . 1 1 4 THR OG1 O 36.686 26.797 16.334 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 15 . 1789 . 1 1 5 DPR C C 35.078 20.570 14.444 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 15 . 1790 . 1 1 5 DPR CA C 35.370 21.679 13.443 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 15 . 1791 . 1 1 5 DPR CB C 34.418 21.674 12.257 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 15 . 1792 . 1 1 5 DPR CD C 34.261 23.809 13.223 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 15 . 1793 . 1 1 5 DPR CG C 33.389 22.770 12.521 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 15 . 1794 . 1 1 5 DPR HA H 36.435 21.630 13.243 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 15 . 1795 . 1 1 5 DPR HB2 H 35.030 21.867 11.375 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 15 . 1796 . 1 1 5 DPR HB3 H 33.995 20.675 12.209 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 15 . 1797 . 1 1 5 DPR HD2 H 34.744 24.379 12.436 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 15 . 1798 . 1 1 5 DPR HD3 H 33.647 24.425 13.871 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 15 . 1799 . 1 1 5 DPR HG2 H 32.868 23.186 11.651 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 15 . 1800 . 1 1 5 DPR HG3 H 32.569 22.445 13.156 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 15 . 1801 . 1 1 5 DPR N N 35.228 23.021 13.958 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 15 . 1802 . 1 1 5 DPR O O 35.551 19.453 14.268 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 15 . 1803 . 1 1 6 . C C 35.606 19.428 17.305 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 15 . 1804 . 1 1 6 . CA C 34.285 19.850 16.664 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 15 . 1805 . 1 1 6 . CB C 33.258 20.360 17.672 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 15 . 1806 . 1 1 6 . CD C 31.568 19.570 19.504 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 15 . 1807 . 1 1 6 . CG C 32.763 19.255 18.600 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 15 . 1808 . 1 1 6 . CZ C 31.251 21.754 20.656 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 15 . 1809 . 1 1 6 . H H 34.134 21.758 15.714 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 15 . 1810 . 1 1 6 . HA H 33.861 18.992 16.147 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 15 . 1811 . 1 1 6 . HB2 H 33.725 21.137 18.284 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 15 . 1812 . 1 1 6 . HB3 H 32.414 20.766 17.130 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 15 . 1813 . 1 1 6 . HD2 H 30.676 19.852 18.954 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 15 . 1814 . 1 1 6 . HD3 H 31.346 18.615 19.986 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 15 . 1815 . 1 1 6 . HE H 32.639 20.345 21.129 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 15 . 1816 . 1 1 6 . HG2 H 32.438 18.404 18.009 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 15 . 1817 . 1 1 6 . HG3 H 33.583 18.818 19.163 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 15 . 1818 . 1 1 6 . HH11 H 32.227 22.357 22.375 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 15 . 1819 . 1 1 6 . HH12 H 31.046 23.447 21.823 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 15 . 1820 . 1 1 6 . HH21 H 29.912 21.637 19.101 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 15 . 1821 . 1 1 6 . HH22 H 29.607 22.918 20.153 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 15 . 1822 . 1 1 6 . N N 34.461 20.815 15.602 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 15 . 1823 . 1 1 6 . NE N 31.896 20.590 20.491 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 15 . 1824 . 1 1 6 . NH1 N 31.517 22.557 21.700 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 15 . 1825 . 1 1 6 . NH2 N 30.238 22.180 19.880 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 15 . 1826 . 1 1 6 . O O 35.777 18.249 17.605 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 15 . 1827 . 1 1 7 GLN C C 37.661 19.862 19.654 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 15 . 1828 . 1 1 7 GLN CA C 37.780 20.079 18.151 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 15 . 1829 . 1 1 7 GLN CB C 38.834 21.079 17.706 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 15 . 1830 . 1 1 7 GLN CD C 40.400 22.059 16.022 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 15 . 1831 . 1 1 7 GLN CG C 39.403 20.945 16.292 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 15 . 1832 . 1 1 7 GLN H H 36.255 21.343 17.333 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 15 . 1833 . 1 1 7 GLN HA H 38.097 19.117 17.760 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 15 . 1834 . 1 1 7 GLN HB2 H 38.292 22.031 17.711 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 15 . 1835 . 1 1 7 GLN HB3 H 39.637 21.025 18.437 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 15 . 1836 . 1 1 7 GLN HE21 H 38.965 23.064 15.113 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 15 . 1837 . 1 1 7 GLN HE22 H 40.504 23.916 15.278 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 15 . 1838 . 1 1 7 GLN HG2 H 39.937 20.000 16.325 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 15 . 1839 . 1 1 7 GLN HG3 H 38.616 20.871 15.534 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 15 . 1840 . 1 1 7 GLN N N 36.509 20.389 17.519 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 15 . 1841 . 1 1 7 GLN NE2 N 39.966 23.059 15.254 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 15 . 1842 . 1 1 7 GLN O O 38.236 20.661 20.388 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 15 . 1843 . 1 1 7 GLN OE1 O 41.525 22.031 16.535 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 15 . 1844 . 1 1 8 . C C 35.923 19.642 22.238 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 15 . 1845 . 1 1 8 . CA C 36.773 18.574 21.549 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 15 . 1846 . 1 1 8 . CB C 36.170 17.172 21.545 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 15 . 1847 . 1 1 8 . CD C 38.148 15.893 22.425 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 15 . 1848 . 1 1 8 . CG C 37.136 16.020 21.298 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 15 . 1849 . 1 1 8 . H H 36.465 18.216 19.499 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 15 . 1850 . 1 1 8 . HA H 37.781 18.602 21.966 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 15 . 1851 . 1 1 8 . HB2 H 35.683 17.070 22.509 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 15 . 1852 . 1 1 8 . HB3 H 35.354 17.082 20.815 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 15 . 1853 . 1 1 8 . HE21 H 36.983 14.528 23.387 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 15 . 1854 . 1 1 8 . HE22 H 38.573 15.002 24.104 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 15 . 1855 . 1 1 8 . HG2 H 36.576 15.108 21.083 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 15 . 1856 . 1 1 8 . HG3 H 37.670 16.152 20.359 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 15 . 1857 . 1 1 8 . N N 36.901 18.872 20.137 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 15 . 1858 . 1 1 8 . NE2 N 37.876 14.992 23.375 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 15 . 1859 . 1 1 8 . O O 34.752 19.934 22.032 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 15 . 1860 . 1 1 8 . OE1 O 39.274 16.390 22.423 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 16 . 1861 . 1 1 1 ASP C C 35.987 22.949 23.061 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 16 . 1862 . 1 1 1 ASP CA C 36.074 21.631 23.830 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 16 . 1863 . 1 1 1 ASP CB C 36.918 21.846 25.081 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 16 . 1864 . 1 1 1 ASP CG C 37.273 20.563 25.819 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 16 . 1865 . 1 1 1 ASP H1 H 37.476 20.341 22.946 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 16 . 1866 . 1 1 1 ASP HA H 35.065 21.377 24.152 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 16 . 1867 . 1 1 1 ASP HB2 H 37.827 22.395 24.835 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 16 . 1868 . 1 1 1 ASP HB3 H 36.397 22.445 25.830 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 16 . 1869 . 1 1 1 ASP N N 36.475 20.492 23.033 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 16 . 1870 . 1 1 1 ASP O O 35.287 23.829 23.537 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 16 . 1871 . 1 1 1 ASP OD1 O 38.448 20.131 25.777 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 16 . 1872 . 1 1 1 ASP OD2 O 36.442 19.880 26.442 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 16 . 1873 . 1 1 2 ASP C C 35.199 23.649 19.866 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 16 . 1874 . 1 1 2 ASP CA C 36.151 24.145 20.940 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 16 . 1875 . 1 1 2 ASP CB C 37.511 24.662 20.461 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 16 . 1876 . 1 1 2 ASP CG C 37.488 26.007 19.762 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 16 . 1877 . 1 1 2 ASP H H 36.970 22.257 21.423 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 16 . 1878 . 1 1 2 ASP HA H 35.654 24.888 21.561 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 16 . 1879 . 1 1 2 ASP HB2 H 38.124 24.731 21.363 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 16 . 1880 . 1 1 2 ASP HB3 H 38.075 23.968 19.840 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 16 . 1881 . 1 1 2 ASP N N 36.442 23.017 21.805 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 16 . 1882 . 1 1 2 ASP O O 35.488 22.677 19.180 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 16 . 1883 . 1 1 2 ASP OD1 O 36.634 26.107 18.854 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 16 . 1884 . 1 1 2 ASP OD2 O 38.314 26.921 19.994 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 16 . 1885 . 1 1 3 PRO C C 33.699 24.059 17.168 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 16 . 1886 . 1 1 3 PRO CA C 33.172 24.038 18.596 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 16 . 1887 . 1 1 3 PRO CB C 32.080 25.100 18.659 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 16 . 1888 . 1 1 3 PRO CD C 33.799 25.666 20.265 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 16 . 1889 . 1 1 3 PRO CG C 32.844 26.283 19.251 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 16 . 1890 . 1 1 3 PRO HA H 32.815 23.028 18.769 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 16 . 1891 . 1 1 3 PRO HB2 H 31.627 25.319 17.687 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 16 . 1892 . 1 1 3 PRO HB3 H 31.347 24.699 19.357 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 16 . 1893 . 1 1 3 PRO HD2 H 34.638 26.327 20.448 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 16 . 1894 . 1 1 3 PRO HD3 H 33.248 25.478 21.195 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 16 . 1895 . 1 1 3 PRO HG2 H 33.356 26.781 18.434 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 16 . 1896 . 1 1 3 PRO HG3 H 32.102 26.922 19.724 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 16 . 1897 . 1 1 3 PRO N N 34.117 24.401 19.631 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 16 . 1898 . 1 1 3 PRO O O 33.092 23.349 16.368 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 16 . 1899 . 1 1 4 THR C C 35.824 23.490 15.159 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 16 . 1900 . 1 1 4 THR CA C 35.425 24.872 15.623 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 16 . 1901 . 1 1 4 THR CB C 36.747 25.622 15.683 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 16 . 1902 . 1 1 4 THR CG2 C 37.439 25.832 14.336 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 16 . 1903 . 1 1 4 THR H H 35.076 25.411 17.670 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 16 . 1904 . 1 1 4 THR HA H 34.757 25.401 14.935 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 16 . 1905 . 1 1 4 THR HB H 37.450 25.021 16.262 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 16 . 1906 . 1 1 4 THR HG1 H 36.397 26.548 17.259 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 16 . 1907 . 1 1 4 THR HG21 H 37.629 24.906 13.811 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 16 . 1908 . 1 1 4 THR HG22 H 38.363 26.405 14.353 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 16 . 1909 . 1 1 4 THR HG23 H 36.765 26.457 13.739 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 16 . 1910 . 1 1 4 THR N N 34.754 24.826 16.913 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 16 . 1911 . 1 1 4 THR O O 36.592 22.840 15.869 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 16 . 1912 . 1 1 4 THR OG1 O 36.332 26.797 16.337 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 16 . 1913 . 1 1 5 DPR C C 35.419 20.526 14.445 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 16 . 1914 . 1 1 5 DPR CA C 35.679 21.688 13.498 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 16 . 1915 . 1 1 5 DPR CB C 34.865 21.587 12.206 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 16 . 1916 . 1 1 5 DPR CD C 34.192 23.629 13.364 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 16 . 1917 . 1 1 5 DPR CG C 33.665 22.460 12.545 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 16 . 1918 . 1 1 5 DPR HA H 36.756 21.742 13.343 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 16 . 1919 . 1 1 5 DPR HB2 H 35.396 21.968 11.343 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 16 . 1920 . 1 1 5 DPR HB3 H 34.650 20.533 12.041 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 16 . 1921 . 1 1 5 DPR HD2 H 34.450 24.479 12.735 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 16 . 1922 . 1 1 5 DPR HD3 H 33.438 24.039 14.037 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 16 . 1923 . 1 1 5 DPR HG2 H 33.164 22.762 11.616 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 16 . 1924 . 1 1 5 DPR HG3 H 32.930 21.862 13.091 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 16 . 1925 . 1 1 5 DPR N N 35.315 22.982 14.032 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 16 . 1926 . 1 1 5 DPR O O 36.056 19.490 14.222 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 16 . 1927 . 1 1 6 . C C 35.459 19.105 17.115 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 16 . 1928 . 1 1 6 . CA C 34.228 19.624 16.395 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 16 . 1929 . 1 1 6 . CB C 33.219 20.065 17.444 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 16 . 1930 . 1 1 6 . CD C 31.696 19.441 19.369 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 16 . 1931 . 1 1 6 . CG C 32.656 18.927 18.293 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 16 . 1932 . 1 1 6 . CZ C 31.884 21.398 20.912 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 16 . 1933 . 1 1 6 . H H 34.278 21.626 15.606 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 16 . 1934 . 1 1 6 . HA H 33.849 18.752 15.858 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 16 . 1935 . 1 1 6 . HB2 H 33.749 20.779 18.066 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 16 . 1936 . 1 1 6 . HB3 H 32.459 20.608 16.878 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 16 . 1937 . 1 1 6 . HD2 H 30.915 20.086 18.977 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 16 . 1938 . 1 1 6 . HD3 H 31.242 18.643 19.957 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 16 . 1939 . 1 1 6 . HE H 33.295 20.049 20.687 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 16 . 1940 . 1 1 6 . HG2 H 32.074 18.270 17.646 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 16 . 1941 . 1 1 6 . HG3 H 33.419 18.393 18.848 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 16 . 1942 . 1 1 6 . HH11 H 33.530 21.641 21.994 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 16 . 1943 . 1 1 6 . HH12 H 32.204 22.737 22.421 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 16 . 1944 . 1 1 6 . HH21 H 30.046 21.417 19.973 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 16 . 1945 . 1 1 6 . HH22 H 30.343 22.707 21.101 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 16 . 1946 . 1 1 6 . N N 34.580 20.678 15.469 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 16 . 1947 . 1 1 6 . NE N 32.388 20.307 20.321 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 16 . 1948 . 1 1 6 . NH1 N 32.633 22.069 21.797 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 16 . 1949 . 1 1 6 . NH2 N 30.667 21.882 20.621 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 16 . 1950 . 1 1 6 . O O 35.484 17.941 17.522 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 16 . 1951 . 1 1 7 GLN C C 37.456 19.888 19.543 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 16 . 1952 . 1 1 7 GLN CA C 37.674 19.807 18.036 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 16 . 1953 . 1 1 7 GLN CB C 38.759 20.762 17.556 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 16 . 1954 . 1 1 7 GLN CD C 40.074 21.679 15.492 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 16 . 1955 . 1 1 7 GLN CG C 39.256 20.568 16.132 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 16 . 1956 . 1 1 7 GLN H H 36.169 20.939 17.047 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 16 . 1957 . 1 1 7 GLN HA H 37.939 18.763 17.821 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 16 . 1958 . 1 1 7 GLN HB2 H 38.460 21.803 17.602 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 16 . 1959 . 1 1 7 GLN HB3 H 39.607 20.571 18.220 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 16 . 1960 . 1 1 7 GLN HE21 H 38.663 23.120 15.735 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 16 . 1961 . 1 1 7 GLN HE22 H 40.172 23.661 15.079 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 16 . 1962 . 1 1 7 GLN HG2 H 39.856 19.655 16.147 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 16 . 1963 . 1 1 7 GLN HG3 H 38.424 20.395 15.456 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 16 . 1964 . 1 1 7 GLN N N 36.404 20.010 17.371 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 16 . 1965 . 1 1 7 GLN NE2 N 39.563 22.904 15.334 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 16 . 1966 . 1 1 7 GLN O O 38.011 20.760 20.195 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 16 . 1967 . 1 1 7 GLN OE1 O 41.239 21.435 15.212 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 16 . 1968 . 1 1 8 . C C 35.850 19.684 22.183 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 16 . 1969 . 1 1 8 . CA C 36.716 18.615 21.531 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 16 . 1970 . 1 1 8 . CB C 36.149 17.236 21.850 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 16 . 1971 . 1 1 8 . CD C 36.878 15.385 20.155 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 16 . 1972 . 1 1 8 . CG C 37.152 16.154 21.440 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 16 . 1973 . 1 1 8 . H H 36.448 18.134 19.559 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 16 . 1974 . 1 1 8 . HA H 37.696 18.747 21.977 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 16 . 1975 . 1 1 8 . HB2 H 35.968 17.117 22.922 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 16 . 1976 . 1 1 8 . HB3 H 35.250 16.983 21.275 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 16 . 1977 . 1 1 8 . HE21 H 38.524 14.190 20.349 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 16 . 1978 . 1 1 8 . HE22 H 37.662 14.128 18.802 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 16 . 1979 . 1 1 8 . HG2 H 38.121 16.632 21.301 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 16 . 1980 . 1 1 8 . HG3 H 37.210 15.454 22.269 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 16 . 1981 . 1 1 8 . N N 36.745 18.909 20.116 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 16 . 1982 . 1 1 8 . NE2 N 37.777 14.480 19.736 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 16 . 1983 . 1 1 8 . O O 34.661 19.906 21.924 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 16 . 1984 . 1 1 8 . OE1 O 35.965 15.635 19.381 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 17 . 1985 . 1 1 1 ASP C C 35.758 22.943 22.969 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 17 . 1986 . 1 1 1 ASP CA C 35.928 21.732 23.876 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 17 . 1987 . 1 1 1 ASP CB C 36.895 22.004 25.032 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 17 . 1988 . 1 1 1 ASP CG C 36.350 23.108 25.927 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 17 . 1989 . 1 1 1 ASP H1 H 37.472 20.326 23.392 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 17 . 1990 . 1 1 1 ASP HA H 34.930 21.502 24.243 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 17 . 1991 . 1 1 1 ASP HB2 H 37.124 21.145 25.671 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 17 . 1992 . 1 1 1 ASP HB3 H 37.867 22.278 24.636 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 17 . 1993 . 1 1 1 ASP N N 36.487 20.533 23.293 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 17 . 1994 . 1 1 1 ASP O O 34.737 23.614 23.090 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 17 . 1995 . 1 1 1 ASP OD1 O 36.900 24.225 25.894 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 17 . 1996 . 1 1 1 ASP OD2 O 35.388 22.799 26.659 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 17 . 1997 . 1 1 2 ASP C C 35.330 23.541 19.903 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 17 . 1998 . 1 1 2 ASP CA C 36.375 24.054 20.883 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 17 . 1999 . 1 1 2 ASP CB C 37.678 24.508 20.228 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 17 . 2000 . 1 1 2 ASP CG C 37.536 25.514 19.102 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 17 . 2001 . 1 1 2 ASP H H 37.206 22.307 21.760 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 17 . 2002 . 1 1 2 ASP HA H 36.087 24.955 21.417 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 17 . 2003 . 1 1 2 ASP HB2 H 38.436 24.903 20.902 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 17 . 2004 . 1 1 2 ASP HB3 H 38.154 23.619 19.815 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 17 . 2005 . 1 1 2 ASP N N 36.603 23.090 21.944 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 17 . 2006 . 1 1 2 ASP O O 35.519 22.479 19.316 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 17 . 2007 . 1 1 2 ASP OD1 O 36.444 25.980 18.722 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 17 . 2008 . 1 1 2 ASP OD2 O 38.572 25.954 18.540 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 17 . 2009 . 1 1 3 PRO C C 33.682 23.897 17.308 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 17 . 2010 . 1 1 3 PRO CA C 33.204 23.937 18.751 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 17 . 2011 . 1 1 3 PRO CB C 32.100 24.972 18.892 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 17 . 2012 . 1 1 3 PRO CD C 33.798 25.469 20.403 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 17 . 2013 . 1 1 3 PRO CG C 32.902 26.171 19.387 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 17 . 2014 . 1 1 3 PRO HA H 32.825 22.950 19.027 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 17 . 2015 . 1 1 3 PRO HB2 H 31.641 25.188 17.926 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 17 . 2016 . 1 1 3 PRO HB3 H 31.334 24.641 19.597 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 17 . 2017 . 1 1 3 PRO HD2 H 34.583 26.192 20.616 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 17 . 2018 . 1 1 3 PRO HD3 H 33.200 25.191 21.269 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 17 . 2019 . 1 1 3 PRO HG2 H 33.533 26.601 18.604 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 17 . 2020 . 1 1 3 PRO HG3 H 32.208 26.859 19.867 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 17 . 2021 . 1 1 3 PRO N N 34.235 24.286 19.703 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 17 . 2022 . 1 1 3 PRO O O 33.054 23.347 16.408 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 17 . 2023 . 1 1 4 THR C C 35.750 23.607 15.014 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 17 . 2024 . 1 1 4 THR CA C 35.251 24.870 15.702 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 17 . 2025 . 1 1 4 THR CB C 36.317 25.959 15.682 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 17 . 2026 . 1 1 4 THR CG2 C 36.628 26.358 14.240 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 17 . 2027 . 1 1 4 THR H H 35.247 25.064 17.820 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 17 . 2028 . 1 1 4 THR HA H 34.452 25.286 15.085 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 17 . 2029 . 1 1 4 THR HB H 37.247 25.504 16.006 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 17 . 2030 . 1 1 4 THR HG1 H 36.056 27.010 17.270 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 17 . 2031 . 1 1 4 THR HG21 H 37.478 27.029 14.358 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 17 . 2032 . 1 1 4 THR HG22 H 35.786 26.924 13.839 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 17 . 2033 . 1 1 4 THR HG23 H 36.809 25.552 13.532 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 17 . 2034 . 1 1 4 THR N N 34.792 24.600 17.051 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 17 . 2035 . 1 1 4 THR O O 36.700 23.074 15.585 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 17 . 2036 . 1 1 4 THR OG1 O 36.012 27.185 16.326 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 17 . 2037 . 1 1 5 DPR C C 35.462 20.589 14.287 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 17 . 2038 . 1 1 5 DPR CA C 35.656 21.793 13.372 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 17 . 2039 . 1 1 5 DPR CB C 34.923 21.684 12.037 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 17 . 2040 . 1 1 5 DPR CD C 34.055 23.516 13.185 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 17 . 2041 . 1 1 5 DPR CG C 33.601 22.403 12.249 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 17 . 2042 . 1 1 5 DPR HA H 36.712 21.799 13.087 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 17 . 2043 . 1 1 5 DPR HB2 H 35.537 22.167 11.277 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 17 . 2044 . 1 1 5 DPR HB3 H 34.671 20.666 11.733 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 17 . 2045 . 1 1 5 DPR HD2 H 34.491 24.284 12.549 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 17 . 2046 . 1 1 5 DPR HD3 H 33.210 23.909 13.752 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 17 . 2047 . 1 1 5 DPR HG2 H 33.353 22.936 11.328 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 17 . 2048 . 1 1 5 DPR HG3 H 32.841 21.726 12.640 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 17 . 2049 . 1 1 5 DPR N N 35.208 23.060 13.924 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 17 . 2050 . 1 1 5 DPR O O 36.058 19.533 14.073 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 17 . 2051 . 1 1 6 . C C 35.583 19.136 17.112 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 17 . 2052 . 1 1 6 . CA C 34.348 19.609 16.347 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 17 . 2053 . 1 1 6 . CB C 33.339 20.175 17.332 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 17 . 2054 . 1 1 6 . CD C 31.746 19.669 19.205 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 17 . 2055 . 1 1 6 . CG C 32.914 19.142 18.376 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 17 . 2056 . 1 1 6 . CZ C 31.541 21.662 20.765 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 17 . 2057 . 1 1 6 . H H 34.225 21.507 15.537 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 17 . 2058 . 1 1 6 . HA H 33.870 18.728 15.918 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 17 . 2059 . 1 1 6 . HB2 H 33.796 21.022 17.843 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 17 . 2060 . 1 1 6 . HB3 H 32.425 20.502 16.840 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 17 . 2061 . 1 1 6 . HD2 H 30.995 19.985 18.478 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 17 . 2062 . 1 1 6 . HD3 H 31.350 18.802 19.725 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 17 . 2063 . 1 1 6 . HE H 33.113 20.533 20.609 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 17 . 2064 . 1 1 6 . HG2 H 32.691 18.213 17.864 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 17 . 2065 . 1 1 6 . HG3 H 33.732 18.928 19.065 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 17 . 2066 . 1 1 6 . HH11 H 33.046 22.377 22.043 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 17 . 2067 . 1 1 6 . HH12 H 31.585 23.256 22.032 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 17 . 2068 . 1 1 6 . HH21 H 29.783 21.442 19.808 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 17 . 2069 . 1 1 6 . HH22 H 29.748 22.749 20.911 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 17 . 2070 . 1 1 6 . N N 34.656 20.604 15.343 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 17 . 2071 . 1 1 6 . NE N 32.198 20.651 20.193 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 17 . 2072 . 1 1 6 . NH1 N 32.112 22.478 21.661 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 17 . 2073 . 1 1 6 . NH2 N 30.267 21.997 20.491 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 17 . 2074 . 1 1 6 . O O 35.868 17.938 17.214 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 17 . 2075 . 1 1 7 GLN C C 37.731 18.987 19.362 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 17 . 2076 . 1 1 7 GLN CA C 37.812 19.584 17.958 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 17 . 2077 . 1 1 7 GLN CB C 38.722 20.797 18.054 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 17 . 2078 . 1 1 7 GLN CD C 40.128 22.343 16.764 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 17 . 2079 . 1 1 7 GLN CG C 39.376 21.025 16.691 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 17 . 2080 . 1 1 7 GLN H H 36.416 21.007 17.262 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 17 . 2081 . 1 1 7 GLN HA H 38.165 18.781 17.312 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 17 . 2082 . 1 1 7 GLN HB2 H 38.116 21.675 18.264 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 17 . 2083 . 1 1 7 GLN HB3 H 39.563 20.730 18.745 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 17 . 2084 . 1 1 7 GLN HE21 H 38.554 23.443 16.015 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 17 . 2085 . 1 1 7 GLN HE22 H 40.011 24.327 16.460 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 17 . 2086 . 1 1 7 GLN HG2 H 40.131 20.263 16.502 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 17 . 2087 . 1 1 7 GLN HG3 H 38.645 20.988 15.879 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 17 . 2088 . 1 1 7 GLN N N 36.545 20.012 17.409 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 17 . 2089 . 1 1 7 GLN NE2 N 39.513 23.456 16.332 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 17 . 2090 . 1 1 7 GLN O O 38.665 18.292 19.753 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 17 . 2091 . 1 1 7 GLN OE1 O 41.230 22.387 17.300 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 17 . 2092 . 1 1 8 . C C 35.818 19.946 22.300 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 17 . 2093 . 1 1 8 . CA C 36.546 18.841 21.561 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 17 . 2094 . 1 1 8 . CB C 35.897 17.461 21.624 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 17 . 2095 . 1 1 8 . CD C 35.612 15.564 23.165 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 17 . 2096 . 1 1 8 . CG C 36.092 17.007 23.058 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 17 . 2097 . 1 1 8 . H H 35.925 19.707 19.753 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 17 . 2098 . 1 1 8 . HA H 37.548 18.828 21.994 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 17 . 2099 . 1 1 8 . HB2 H 34.830 17.492 21.405 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 17 . 2100 . 1 1 8 . HB3 H 36.408 16.758 20.972 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 17 . 2101 . 1 1 8 . HE21 H 36.566 15.374 24.848 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 17 . 2102 . 1 1 8 . HE22 H 35.809 13.865 24.197 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 17 . 2103 . 1 1 8 . HG2 H 37.145 17.096 23.318 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 17 . 2104 . 1 1 8 . HG3 H 35.542 17.653 23.735 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 17 . 2105 . 1 1 8 . N N 36.651 19.126 20.133 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 17 . 2106 . 1 1 8 . NE2 N 36.139 14.816 24.129 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 17 . 2107 . 1 1 8 . O O 34.691 20.306 21.966 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 17 . 2108 . 1 1 8 . OE1 O 34.767 15.096 22.402 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 18 . 2109 . 1 1 1 ASP C C 35.894 22.859 22.996 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 18 . 2110 . 1 1 1 ASP CA C 36.178 21.615 23.833 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 18 . 2111 . 1 1 1 ASP CB C 37.342 21.983 24.757 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 18 . 2112 . 1 1 1 ASP CG C 37.553 20.949 25.846 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 18 . 2113 . 1 1 1 ASP H1 H 37.475 20.390 22.616 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 18 . 2114 . 1 1 1 ASP HA H 35.244 21.371 24.343 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 18 . 2115 . 1 1 1 ASP HB2 H 38.280 22.195 24.239 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 18 . 2116 . 1 1 1 ASP HB3 H 37.100 22.914 25.273 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 18 . 2117 . 1 1 1 ASP N N 36.545 20.493 23.001 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 18 . 2118 . 1 1 1 ASP O O 35.030 23.658 23.386 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 18 . 2119 . 1 1 1 ASP OD1 O 38.502 21.190 26.625 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 18 . 2120 . 1 1 1 ASP OD2 O 36.792 19.968 26.023 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 18 . 2121 . 1 1 2 ASP C C 35.170 23.493 19.858 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 18 . 2122 . 1 1 2 ASP CA C 36.164 24.038 20.872 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 18 . 2123 . 1 1 2 ASP CB C 37.457 24.596 20.271 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 18 . 2124 . 1 1 2 ASP CG C 37.267 25.826 19.403 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 18 . 2125 . 1 1 2 ASP H H 37.250 22.364 21.579 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 18 . 2126 . 1 1 2 ASP HA H 35.784 24.880 21.456 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 18 . 2127 . 1 1 2 ASP HB2 H 38.227 24.834 21.003 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 18 . 2128 . 1 1 2 ASP HB3 H 37.967 23.864 19.636 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 18 . 2129 . 1 1 2 ASP N N 36.499 22.989 21.816 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 18 . 2130 . 1 1 2 ASP O O 35.501 22.466 19.256 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 18 . 2131 . 1 1 2 ASP OD1 O 36.123 26.225 19.107 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 18 . 2132 . 1 1 2 ASP OD2 O 38.186 26.451 18.832 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 18 . 2133 . 1 1 3 PRO C C 33.811 24.002 17.171 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 18 . 2134 . 1 1 3 PRO CA C 33.139 24.009 18.542 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 18 . 2135 . 1 1 3 PRO CB C 32.029 25.037 18.713 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 18 . 2136 . 1 1 3 PRO CD C 33.401 25.038 20.644 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 18 . 2137 . 1 1 3 PRO CG C 31.945 25.228 20.227 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 18 . 2138 . 1 1 3 PRO HA H 32.668 23.040 18.663 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 18 . 2139 . 1 1 3 PRO HB2 H 32.273 25.984 18.231 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 18 . 2140 . 1 1 3 PRO HB3 H 31.034 24.729 18.380 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 18 . 2141 . 1 1 3 PRO HD2 H 33.981 25.965 20.707 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 18 . 2142 . 1 1 3 PRO HD3 H 33.558 24.765 21.690 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 18 . 2143 . 1 1 3 PRO HG2 H 31.618 26.247 20.435 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 18 . 2144 . 1 1 3 PRO HG3 H 31.452 24.453 20.805 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 18 . 2145 . 1 1 3 PRO N N 33.994 24.104 19.710 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 18 . 2146 . 1 1 3 PRO O O 33.230 23.482 16.217 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 18 . 2147 . 1 1 4 THR C C 35.908 23.472 14.979 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 18 . 2148 . 1 1 4 THR CA C 35.555 24.816 15.608 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 18 . 2149 . 1 1 4 THR CB C 36.765 25.758 15.523 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 18 . 2150 . 1 1 4 THR CG2 C 37.160 26.091 14.093 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 18 . 2151 . 1 1 4 THR H H 35.382 25.080 17.712 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 18 . 2152 . 1 1 4 THR HA H 34.835 25.230 14.897 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 18 . 2153 . 1 1 4 THR HB H 37.537 25.205 16.069 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 18 . 2154 . 1 1 4 THR HG1 H 36.331 26.660 17.077 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 18 . 2155 . 1 1 4 THR HG21 H 37.415 25.172 13.559 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 18 . 2156 . 1 1 4 THR HG22 H 37.993 26.799 14.159 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 18 . 2157 . 1 1 4 THR HG23 H 36.378 26.613 13.554 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 18 . 2158 . 1 1 4 THR N N 34.943 24.648 16.902 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 18 . 2159 . 1 1 4 THR O O 36.814 22.809 15.476 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 18 . 2160 . 1 1 4 THR OG1 O 36.456 26.973 16.170 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 18 . 2161 . 1 1 5 DPR C C 35.197 20.505 14.259 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 18 . 2162 . 1 1 5 DPR CA C 35.369 21.717 13.356 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 18 . 2163 . 1 1 5 DPR CB C 34.478 21.539 12.130 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 18 . 2164 . 1 1 5 DPR CD C 34.228 23.725 13.113 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 18 . 2165 . 1 1 5 DPR CG C 33.439 22.623 12.415 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 18 . 2166 . 1 1 5 DPR HA H 36.399 21.627 13.034 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 18 . 2167 . 1 1 5 DPR HB2 H 35.040 21.879 11.249 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 18 . 2168 . 1 1 5 DPR HB3 H 34.019 20.554 12.088 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 18 . 2169 . 1 1 5 DPR HD2 H 34.749 24.254 12.315 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 18 . 2170 . 1 1 5 DPR HD3 H 33.533 24.374 13.645 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 18 . 2171 . 1 1 5 DPR HG2 H 32.890 23.006 11.554 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 18 . 2172 . 1 1 5 DPR HG3 H 32.682 22.230 13.091 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 18 . 2173 . 1 1 5 DPR N N 35.225 23.037 13.919 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 18 . 2174 . 1 1 5 DPR O O 35.434 19.351 13.895 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 18 . 2175 . 1 1 6 . C C 35.714 19.314 17.133 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 18 . 2176 . 1 1 6 . CA C 34.433 19.709 16.408 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 18 . 2177 . 1 1 6 . CB C 33.382 20.239 17.367 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 18 . 2178 . 1 1 6 . CD C 31.793 20.032 19.323 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 18 . 2179 . 1 1 6 . CG C 32.684 19.281 18.335 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 18 . 2180 . 1 1 6 . CZ C 32.088 21.574 21.253 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 18 . 2181 . 1 1 6 . H H 34.165 21.674 15.503 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 18 . 2182 . 1 1 6 . HA H 34.146 18.826 15.830 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 18 . 2183 . 1 1 6 . HB2 H 33.719 21.114 17.911 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 18 . 2184 . 1 1 6 . HB3 H 32.581 20.618 16.735 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 18 . 2185 . 1 1 6 . HD2 H 31.091 20.675 18.797 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 18 . 2186 . 1 1 6 . HD3 H 31.116 19.278 19.728 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 18 . 2187 . 1 1 6 . HE H 33.469 20.317 20.634 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 18 . 2188 . 1 1 6 . HG2 H 31.967 18.669 17.792 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 18 . 2189 . 1 1 6 . HG3 H 33.412 18.670 18.870 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 18 . 2190 . 1 1 6 . HH11 H 33.880 21.934 22.163 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 18 . 2191 . 1 1 6 . HH12 H 32.480 22.960 22.567 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 18 . 2192 . 1 1 6 . HH21 H 30.118 21.262 20.855 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 18 . 2193 . 1 1 6 . HH22 H 30.471 22.408 22.139 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 18 . 2194 . 1 1 6 . N N 34.619 20.770 15.436 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 18 . 2195 . 1 1 6 . NE N 32.564 20.692 20.363 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 18 . 2196 . 1 1 6 . NH1 N 32.894 22.135 22.164 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 18 . 2197 . 1 1 6 . NH2 N 30.779 21.824 21.373 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 18 . 2198 . 1 1 6 . O O 35.791 18.144 17.501 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 18 . 2199 . 1 1 7 GLN C C 37.589 19.841 19.800 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 18 . 2200 . 1 1 7 GLN CA C 37.776 20.005 18.296 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 18 . 2201 . 1 1 7 GLN CB C 38.859 20.998 17.891 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 18 . 2202 . 1 1 7 GLN CD C 40.136 22.179 16.133 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 18 . 2203 . 1 1 7 GLN CG C 39.302 20.932 16.425 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 18 . 2204 . 1 1 7 GLN H H 36.467 21.151 17.069 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 18 . 2205 . 1 1 7 GLN HA H 38.134 19.086 17.831 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 18 . 2206 . 1 1 7 GLN HB2 H 38.582 22.047 18.044 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 18 . 2207 . 1 1 7 GLN HB3 H 39.741 20.805 18.500 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 18 . 2208 . 1 1 7 GLN HE21 H 38.753 23.181 14.975 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 18 . 2209 . 1 1 7 GLN HE22 H 40.364 23.680 14.756 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 18 . 2210 . 1 1 7 GLN HG2 H 39.828 19.992 16.276 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 18 . 2211 . 1 1 7 GLN HG3 H 38.444 21.021 15.766 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 18 . 2212 . 1 1 7 GLN N N 36.598 20.242 17.494 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 18 . 2213 . 1 1 7 GLN NE2 N 39.713 23.089 15.258 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 18 . 2214 . 1 1 7 GLN O O 38.032 20.668 20.598 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 18 . 2215 . 1 1 7 GLN OE1 O 41.204 22.299 16.715 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 18 . 2216 . 1 1 8 . C C 35.812 19.655 22.260 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 18 . 2217 . 1 1 8 . CA C 36.508 18.511 21.535 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 18 . 2218 . 1 1 8 . CB C 35.692 17.216 21.526 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 18 . 2219 . 1 1 8 . CD C 35.714 14.734 21.693 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 18 . 2220 . 1 1 8 . CG C 36.496 15.953 21.244 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 18 . 2221 . 1 1 8 . H H 36.361 18.277 19.450 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 18 . 2222 . 1 1 8 . HA H 37.458 18.314 22.026 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 18 . 2223 . 1 1 8 . HB2 H 35.237 17.119 22.509 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 18 . 2224 . 1 1 8 . HB3 H 34.835 17.264 20.858 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 18 . 2225 . 1 1 8 . HE21 H 35.139 14.334 19.813 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 18 . 2226 . 1 1 8 . HE22 H 34.545 13.193 21.048 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 18 . 2227 . 1 1 8 . HG2 H 36.688 16.001 20.173 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 18 . 2228 . 1 1 8 . HG3 H 37.468 16.074 21.736 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 18 . 2229 . 1 1 8 . N N 36.864 18.779 20.159 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 18 . 2230 . 1 1 8 . NE2 N 35.059 14.024 20.769 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 18 . 2231 . 1 1 8 . O O 34.597 19.711 22.119 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 18 . 2232 . 1 1 8 . OE1 O 35.536 14.495 22.888 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 19 . 2233 . 1 1 1 ASP C C 36.023 22.899 23.219 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 19 . 2234 . 1 1 1 ASP CA C 36.420 21.644 23.984 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 19 . 2235 . 1 1 1 ASP CB C 37.458 21.980 25.047 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 19 . 2236 . 1 1 1 ASP CG C 37.898 20.816 25.926 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 19 . 2237 . 1 1 1 ASP H1 H 37.512 19.912 23.483 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 19 . 2238 . 1 1 1 ASP HA H 35.552 21.253 24.495 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 19 . 2239 . 1 1 1 ASP HB2 H 38.346 22.283 24.493 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 19 . 2240 . 1 1 1 ASP HB3 H 37.069 22.758 25.695 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 19 . 2241 . 1 1 1 ASP N N 36.816 20.552 23.117 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 19 . 2242 . 1 1 1 ASP O O 35.311 23.722 23.771 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 19 . 2243 . 1 1 1 ASP OD1 O 37.574 20.703 27.135 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 19 . 2244 . 1 1 1 ASP OD2 O 38.626 19.959 25.376 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 19 . 2245 . 1 1 2 ASP C C 35.028 23.411 19.970 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 19 . 2246 . 1 1 2 ASP CA C 36.032 24.000 20.944 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 19 . 2247 . 1 1 2 ASP CB C 37.291 24.552 20.289 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 19 . 2248 . 1 1 2 ASP CG C 36.989 25.975 19.813 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 19 . 2249 . 1 1 2 ASP H H 37.038 22.289 21.640 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 19 . 2250 . 1 1 2 ASP HA H 35.661 24.825 21.561 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 19 . 2251 . 1 1 2 ASP HB2 H 38.100 24.608 21.013 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 19 . 2252 . 1 1 2 ASP HB3 H 37.524 23.841 19.503 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 19 . 2253 . 1 1 2 ASP N N 36.376 22.998 21.929 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 19 . 2254 . 1 1 2 ASP O O 35.229 22.308 19.471 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 19 . 2255 . 1 1 2 ASP OD1 O 36.050 26.230 19.019 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 19 . 2256 . 1 1 2 ASP OD2 O 37.664 26.937 20.236 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 19 . 2257 . 1 1 3 PRO C C 33.687 23.936 17.100 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 19 . 2258 . 1 1 3 PRO CA C 33.131 23.805 18.511 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 19 . 2259 . 1 1 3 PRO CB C 31.875 24.671 18.587 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 19 . 2260 . 1 1 3 PRO CD C 33.522 25.429 20.140 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 19 . 2261 . 1 1 3 PRO CG C 32.372 25.942 19.271 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 19 . 2262 . 1 1 3 PRO HA H 32.814 22.769 18.661 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 19 . 2263 . 1 1 3 PRO HB2 H 31.464 24.963 17.623 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 19 . 2264 . 1 1 3 PRO HB3 H 31.180 24.162 19.239 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 19 . 2265 . 1 1 3 PRO HD2 H 34.079 26.336 20.358 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 19 . 2266 . 1 1 3 PRO HD3 H 33.059 25.163 21.084 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 19 . 2267 . 1 1 3 PRO HG2 H 32.686 26.696 18.545 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 19 . 2268 . 1 1 3 PRO HG3 H 31.567 26.406 19.839 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 19 . 2269 . 1 1 3 PRO N N 34.056 24.229 19.541 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 19 . 2270 . 1 1 3 PRO O O 33.205 23.302 16.164 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 19 . 2271 . 1 1 4 THR C C 35.897 23.525 15.063 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 19 . 2272 . 1 1 4 THR CA C 35.451 24.879 15.613 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 19 . 2273 . 1 1 4 THR CB C 36.729 25.638 15.936 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 19 . 2274 . 1 1 4 THR CG2 C 37.475 26.076 14.670 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 19 . 2275 . 1 1 4 THR H H 35.220 25.099 17.662 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 19 . 2276 . 1 1 4 THR HA H 34.934 25.464 14.861 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 19 . 2277 . 1 1 4 THR HB H 37.355 25.105 16.643 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 19 . 2278 . 1 1 4 THR HG1 H 36.337 26.903 17.300 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 19 . 2279 . 1 1 4 THR HG21 H 36.833 26.743 14.106 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 19 . 2280 . 1 1 4 THR HG22 H 37.638 25.265 13.968 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 19 . 2281 . 1 1 4 THR HG23 H 38.336 26.632 15.042 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 19 . 2282 . 1 1 4 THR N N 34.740 24.722 16.862 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 19 . 2283 . 1 1 4 THR O O 36.714 22.901 15.751 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 19 . 2284 . 1 1 4 THR OG1 O 36.475 26.964 16.352 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 19 . 2285 . 1 1 5 DPR C C 35.416 20.550 14.484 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 19 . 2286 . 1 1 5 DPR CA C 35.787 21.666 13.508 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 19 . 2287 . 1 1 5 DPR CB C 35.173 21.328 12.150 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 19 . 2288 . 1 1 5 DPR CD C 34.563 23.557 12.913 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 19 . 2289 . 1 1 5 DPR CG C 34.085 22.394 12.059 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 19 . 2290 . 1 1 5 DPR HA H 36.869 21.602 13.387 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 19 . 2291 . 1 1 5 DPR HB2 H 35.933 21.441 11.378 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 19 . 2292 . 1 1 5 DPR HB3 H 34.745 20.328 12.056 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 19 . 2293 . 1 1 5 DPR HD2 H 35.243 24.173 12.316 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 19 . 2294 . 1 1 5 DPR HD3 H 33.705 24.148 13.220 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 19 . 2295 . 1 1 5 DPR HG2 H 33.892 22.716 11.031 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 19 . 2296 . 1 1 5 DPR HG3 H 33.236 21.948 12.581 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 19 . 2297 . 1 1 5 DPR N N 35.440 23.009 13.928 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 19 . 2298 . 1 1 5 DPR O O 35.977 19.490 14.265 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 19 . 2299 . 1 1 6 . C C 35.502 19.253 17.068 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 19 . 2300 . 1 1 6 . CA C 34.206 19.745 16.441 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 19 . 2301 . 1 1 6 . CB C 33.177 20.207 17.468 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 19 . 2302 . 1 1 6 . CD C 31.732 19.421 19.567 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 19 . 2303 . 1 1 6 . CG C 32.620 19.108 18.369 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 19 . 2304 . 1 1 6 . CZ C 32.052 21.403 21.070 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 19 . 2305 . 1 1 6 . H H 33.987 21.615 15.436 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 19 . 2306 . 1 1 6 . HA H 33.792 18.884 15.914 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 19 . 2307 . 1 1 6 . HB2 H 33.645 21.000 18.044 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 19 . 2308 . 1 1 6 . HB3 H 32.376 20.526 16.801 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 19 . 2309 . 1 1 6 . HD2 H 30.801 19.889 19.248 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 19 . 2310 . 1 1 6 . HD3 H 31.378 18.504 20.029 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 19 . 2311 . 1 1 6 . HE H 33.262 19.832 20.993 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 19 . 2312 . 1 1 6 . HG2 H 32.025 18.485 17.694 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 19 . 2313 . 1 1 6 . HG3 H 33.472 18.563 18.775 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 19 . 2314 . 1 1 6 . HH11 H 33.649 21.581 22.276 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 19 . 2315 . 1 1 6 . HH12 H 32.488 22.877 22.450 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 19 . 2316 . 1 1 6 . HH21 H 30.497 21.606 19.769 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 19 . 2317 . 1 1 6 . HH22 H 30.560 22.758 21.086 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 19 . 2318 . 1 1 6 . N N 34.458 20.726 15.400 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 19 . 2319 . 1 1 6 . NE N 32.383 20.180 20.631 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 19 . 2320 . 1 1 6 . NH1 N 32.764 22.004 22.032 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 19 . 2321 . 1 1 6 . NH2 N 30.884 21.906 20.655 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 19 . 2322 . 1 1 6 . O O 35.812 18.071 17.187 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 19 . 2323 . 1 1 7 GLN C C 37.639 19.214 19.360 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 19 . 2324 . 1 1 7 GLN CA C 37.694 19.872 17.998 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 19 . 2325 . 1 1 7 GLN CB C 38.505 21.163 18.111 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 19 . 2326 . 1 1 7 GLN CD C 40.792 22.175 18.479 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 19 . 2327 . 1 1 7 GLN CG C 39.988 20.893 18.312 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 19 . 2328 . 1 1 7 GLN H H 36.071 21.138 17.434 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 19 . 2329 . 1 1 7 GLN HA H 38.210 19.182 17.316 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 19 . 2330 . 1 1 7 GLN HB2 H 38.329 21.827 17.260 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 19 . 2331 . 1 1 7 GLN HB3 H 38.279 21.702 19.026 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 19 . 2332 . 1 1 7 GLN HE21 H 42.498 21.324 17.846 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 19 . 2333 . 1 1 7 GLN HE22 H 42.634 23.029 18.276 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 19 . 2334 . 1 1 7 GLN HG2 H 40.157 20.216 19.143 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 19 . 2335 . 1 1 7 GLN HG3 H 40.281 20.404 17.378 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 19 . 2336 . 1 1 7 GLN N N 36.378 20.177 17.468 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 19 . 2337 . 1 1 7 GLN NE2 N 42.103 22.173 18.219 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 19 . 2338 . 1 1 7 GLN O O 38.581 18.504 19.705 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 19 . 2339 . 1 1 7 GLN OE1 O 40.274 23.239 18.804 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 19 . 2340 . 1 1 8 . C C 35.903 19.902 22.383 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 19 . 2341 . 1 1 8 . CA C 36.399 18.808 21.450 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 19 . 2342 . 1 1 8 . CB C 35.290 17.783 21.212 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 19 . 2343 . 1 1 8 . CD C 34.190 15.834 22.473 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 19 . 2344 . 1 1 8 . CG C 35.326 16.850 22.409 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 19 . 2345 . 1 1 8 . H H 35.908 20.100 19.816 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 19 . 2346 . 1 1 8 . HA H 37.307 18.361 21.854 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 19 . 2347 . 1 1 8 . HB2 H 34.280 18.200 21.231 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 19 . 2348 . 1 1 8 . HB3 H 35.516 17.255 20.280 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 19 . 2349 . 1 1 8 . HE21 H 35.296 14.507 23.474 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 19 . 2350 . 1 1 8 . HE22 H 33.617 13.995 23.138 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 19 . 2351 . 1 1 8 . HG2 H 36.272 16.329 22.282 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 19 . 2352 . 1 1 8 . HG3 H 35.343 17.531 23.258 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 19 . 2353 . 1 1 8 . N N 36.610 19.472 20.177 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 19 . 2354 . 1 1 8 . NE2 N 34.367 14.677 23.110 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 19 . 2355 . 1 1 8 . O O 34.728 20.259 22.373 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 19 . 2356 . 1 1 8 . OE1 O 33.052 16.036 22.046 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 1 . 20 . 2357 . 1 1 1 ASP C C 35.483 22.566 22.968 . . . 1.0 . . . . . . . . . . . . A . 1 ASP C . . . . . . . . . c30355_6be7 1 . 20 . 2358 . 1 1 1 ASP CA C 35.838 21.328 23.783 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CA . . . . . . . . . c30355_6be7 1 . 20 . 2359 . 1 1 1 ASP CB C 36.607 21.773 25.038 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CB . . . . . . . . . c30355_6be7 1 . 20 . 2360 . 1 1 1 ASP CG C 36.383 20.773 26.168 . . . 1.0 . . . . . . . . . . . . A . 1 ASP CG . . . . . . . . . c30355_6be7 1 . 20 . 2361 . 1 1 1 ASP H1 H 37.626 20.406 23.133 . . . 1.0 . . . . . . . . . . . . A . 1 ASP H1 . . . . . . . . . c30355_6be7 1 . 20 . 2362 . 1 1 1 ASP HA H 34.928 20.832 24.095 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HA . . . . . . . . . c30355_6be7 1 . 20 . 2363 . 1 1 1 ASP HB2 H 37.660 21.830 24.812 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB2 . . . . . . . . . c30355_6be7 1 . 20 . 2364 . 1 1 1 ASP HB3 H 36.260 22.751 25.353 . . . 1.0 . . . . . . . . . . . . A . 1 ASP HB3 . . . . . . . . . c30355_6be7 1 . 20 . 2365 . 1 1 1 ASP N N 36.653 20.394 23.015 . . . 1.0 . . . . . . . . . . . . A . 1 ASP N . . . . . . . . . c30355_6be7 1 . 20 . 2366 . 1 1 1 ASP O O 34.531 23.268 23.324 . . . 1.0 . . . . . . . . . . . . A . 1 ASP O . . . . . . . . . c30355_6be7 1 . 20 . 2367 . 1 1 1 ASP OD1 O 37.216 19.896 26.329 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD1 . . . . . . . . . c30355_6be7 1 . 20 . 2368 . 1 1 1 ASP OD2 O 35.383 20.898 26.855 . . . 1.0 . . . . . . . . . . . . A . 1 ASP OD2 . . . . . . . . . c30355_6be7 1 . 20 . 2369 . 1 1 2 ASP C C 34.974 23.688 19.947 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30355_6be7 1 . 20 . 2370 . 1 1 2 ASP CA C 35.991 24.028 21.056 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30355_6be7 1 . 20 . 2371 . 1 1 2 ASP CB C 37.299 24.502 20.404 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30355_6be7 1 . 20 . 2372 . 1 1 2 ASP CG C 37.678 25.878 20.943 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30355_6be7 1 . 20 . 2373 . 1 1 2 ASP H H 36.996 22.236 21.653 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30355_6be7 1 . 20 . 2374 . 1 1 2 ASP HA H 35.628 24.812 21.697 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30355_6be7 1 . 20 . 2375 . 1 1 2 ASP HB2 H 38.093 23.802 20.626 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30355_6be7 1 . 20 . 2376 . 1 1 2 ASP HB3 H 37.165 24.565 19.333 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30355_6be7 1 . 20 . 2377 . 1 1 2 ASP N N 36.248 22.839 21.889 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30355_6be7 1 . 20 . 2378 . 1 1 2 ASP O O 34.934 22.538 19.524 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30355_6be7 1 . 20 . 2379 . 1 1 2 ASP OD1 O 37.978 25.968 22.122 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30355_6be7 1 . 20 . 2380 . 1 1 2 ASP OD2 O 37.663 26.820 20.168 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30355_6be7 1 . 20 . 2381 . 1 1 3 PRO C C 33.953 23.973 17.050 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c30355_6be7 1 . 20 . 2382 . 1 1 3 PRO CA C 33.210 24.286 18.331 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c30355_6be7 1 . 20 . 2383 . 1 1 3 PRO CB C 32.349 25.546 18.171 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c30355_6be7 1 . 20 . 2384 . 1 1 3 PRO CD C 34.076 26.057 19.795 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c30355_6be7 1 . 20 . 2385 . 1 1 3 PRO CG C 33.167 26.666 18.720 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c30355_6be7 1 . 20 . 2386 . 1 1 3 PRO HA H 32.586 23.452 18.601 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c30355_6be7 1 . 20 . 2387 . 1 1 3 PRO HB2 H 32.133 25.719 17.125 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c30355_6be7 1 . 20 . 2388 . 1 1 3 PRO HB3 H 31.432 25.452 18.732 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c30355_6be7 1 . 20 . 2389 . 1 1 3 PRO HD2 H 35.055 26.522 19.778 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c30355_6be7 1 . 20 . 2390 . 1 1 3 PRO HD3 H 33.621 26.162 20.768 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c30355_6be7 1 . 20 . 2391 . 1 1 3 PRO HG2 H 33.754 27.116 17.930 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c30355_6be7 1 . 20 . 2392 . 1 1 3 PRO HG3 H 32.521 27.406 19.167 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c30355_6be7 1 . 20 . 2393 . 1 1 3 PRO N N 34.170 24.622 19.429 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c30355_6be7 1 . 20 . 2394 . 1 1 3 PRO O O 33.585 23.026 16.341 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c30355_6be7 1 . 20 . 2395 . 1 1 4 THR C C 35.972 23.229 15.085 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30355_6be7 1 . 20 . 2396 . 1 1 4 THR CA C 35.877 24.695 15.633 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30355_6be7 1 . 20 . 2397 . 1 1 4 THR CB C 37.274 25.248 16.029 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30355_6be7 1 . 20 . 2398 . 1 1 4 THR CG2 C 38.055 25.732 14.788 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30355_6be7 1 . 20 . 2399 . 1 1 4 THR H H 35.187 25.496 17.454 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30355_6be7 1 . 20 . 2400 . 1 1 4 THR HA H 35.498 25.361 14.881 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30355_6be7 1 . 20 . 2401 . 1 1 4 THR HB H 37.846 24.501 16.539 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30355_6be7 1 . 20 . 2402 . 1 1 4 THR HG1 H 37.955 26.636 17.208 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30355_6be7 1 . 20 . 2403 . 1 1 4 THR HG21 H 37.693 26.705 14.490 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30355_6be7 1 . 20 . 2404 . 1 1 4 THR HG22 H 37.930 25.037 13.970 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30355_6be7 1 . 20 . 2405 . 1 1 4 THR HG23 H 39.105 25.804 15.033 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30355_6be7 1 . 20 . 2406 . 1 1 4 THR N N 34.998 24.790 16.804 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30355_6be7 1 . 20 . 2407 . 1 1 4 THR O O 36.735 22.415 15.646 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30355_6be7 1 . 20 . 2408 . 1 1 4 THR OG1 O 37.090 26.350 16.905 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30355_6be7 1 . 20 . 2409 . 1 1 5 DPR C C 35.133 20.375 14.525 . . . 1.0 . . . . . . . . . . . . A . 5 DPR C . . . . . . . . . c30355_6be7 1 . 20 . 2410 . 1 1 5 DPR CA C 35.290 21.446 13.469 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CA . . . . . . . . . c30355_6be7 1 . 20 . 2411 . 1 1 5 DPR CB C 34.154 21.353 12.436 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CB . . . . . . . . . c30355_6be7 1 . 20 . 2412 . 1 1 5 DPR CD C 34.148 23.603 13.302 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CD . . . . . . . . . c30355_6be7 1 . 20 . 2413 . 1 1 5 DPR CG C 33.267 22.518 12.695 . . . 1.0 . . . . . . . . . . . . A . 5 DPR CG . . . . . . . . . c30355_6be7 1 . 20 . 2414 . 1 1 5 DPR HA H 36.237 21.321 12.967 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HA . . . . . . . . . c30355_6be7 1 . 20 . 2415 . 1 1 5 DPR HB2 H 34.555 21.406 11.432 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB2 . . . . . . . . . c30355_6be7 1 . 20 . 2416 . 1 1 5 DPR HB3 H 33.603 20.435 12.570 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HB3 . . . . . . . . . c30355_6be7 1 . 20 . 2417 . 1 1 5 DPR HD2 H 34.586 24.221 12.525 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD2 . . . . . . . . . c30355_6be7 1 . 20 . 2418 . 1 1 5 DPR HD3 H 33.554 24.195 13.978 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HD3 . . . . . . . . . c30355_6be7 1 . 20 . 2419 . 1 1 5 DPR HG2 H 32.824 22.862 11.770 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG2 . . . . . . . . . c30355_6be7 1 . 20 . 2420 . 1 1 5 DPR HG3 H 32.488 22.249 13.403 . . . 1.0 . . . . . . . . . . . . A . 5 DPR HG3 . . . . . . . . . c30355_6be7 1 . 20 . 2421 . 1 1 5 DPR N N 35.199 22.835 14.035 . . . 1.0 . . . . . . . . . . . . A . 5 DPR N . . . . . . . . . c30355_6be7 1 . 20 . 2422 . 1 1 5 DPR O O 35.718 19.296 14.413 . . . 1.0 . . . . . . . . . . . . A . 5 DPR O . . . . . . . . . c30355_6be7 1 . 20 . 2423 . 1 1 6 . C C 35.434 19.517 17.391 . . . 1.0 . . . . . . . . . . . . A . 6 DAR C . . . . . . . . . c30355_6be7 1 . 20 . 2424 . 1 1 6 . CA C 34.142 19.724 16.614 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CA . . . . . . . . . c30355_6be7 1 . 20 . 2425 . 1 1 6 . CB C 33.002 20.195 17.536 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CB . . . . . . . . . c30355_6be7 1 . 20 . 2426 . 1 1 6 . CD C 31.468 19.436 19.479 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CD . . . . . . . . . c30355_6be7 1 . 20 . 2427 . 1 1 6 . CG C 32.308 18.989 18.248 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CG . . . . . . . . . c30355_6be7 1 . 20 . 2428 . 1 1 6 . CZ C 31.845 20.436 21.682 . . . 1.0 . . . . . . . . . . . . A . 6 DAR CZ . . . . . . . . . c30355_6be7 1 . 20 . 2429 . 1 1 6 . H H 33.925 21.533 15.581 . . . 1.0 . . . . . . . . . . . . A . 6 DAR H . . . . . . . . . c30355_6be7 1 . 20 . 2430 . 1 1 6 . HA H 33.877 18.785 16.167 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HA . . . . . . . . . c30355_6be7 1 . 20 . 2431 . 1 1 6 . HB2 H 33.411 20.866 18.261 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB2 . . . . . . . . . c30355_6be7 1 . 20 . 2432 . 1 1 6 . HB3 H 32.279 20.723 16.931 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HB3 . . . . . . . . . c30355_6be7 1 . 20 . 2433 . 1 1 6 . HD2 H 30.810 20.251 19.209 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD2 . . . . . . . . . c30355_6be7 1 . 20 . 2434 . 1 1 6 . HD3 H 30.861 18.600 19.807 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HD3 . . . . . . . . . c30355_6be7 1 . 20 . 2435 . 1 1 6 . HE H 33.305 19.685 20.532 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HE . . . . . . . . . c30355_6be7 1 . 20 . 2436 . 1 1 6 . HG2 H 31.648 18.493 17.545 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG2 . . . . . . . . . c30355_6be7 1 . 20 . 2437 . 1 1 6 . HG3 H 33.057 18.286 18.579 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HG3 . . . . . . . . . c30355_6be7 1 . 20 . 2438 . 1 1 6 . HH11 H 33.635 20.648 22.547 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH11 . . . . . . . . . c30355_6be7 1 . 20 . 2439 . 1 1 6 . HH12 H 32.288 21.244 23.458 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH12 . . . . . . . . . c30355_6be7 1 . 20 . 2440 . 1 1 6 . HH21 H 29.933 20.335 21.092 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH21 . . . . . . . . . c30355_6be7 1 . 20 . 2441 . 1 1 6 . HH22 H 30.202 21.068 22.638 . . . 1.0 . . . . . . . . . . . . A . 6 DAR HH22 . . . . . . . . . c30355_6be7 1 . 20 . 2442 . 1 1 6 . N N 34.351 20.682 15.550 . . . 1.0 . . . . . . . . . . . . A . 6 DAR N . . . . . . . . . c30355_6be7 1 . 20 . 2443 . 1 1 6 . NE N 32.338 19.849 20.588 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NE . . . . . . . . . c30355_6be7 1 . 20 . 2444 . 1 1 6 . NH1 N 32.653 20.804 22.636 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH1 . . . . . . . . . c30355_6be7 1 . 20 . 2445 . 1 1 6 . NH2 N 30.559 20.628 21.815 . . . 1.0 . . . . . . . . . . . . A . 6 DAR NH2 . . . . . . . . . c30355_6be7 1 . 20 . 2446 . 1 1 6 . O O 35.613 18.460 17.997 . . . 1.0 . . . . . . . . . . . . A . 6 DAR O . . . . . . . . . c30355_6be7 1 . 20 . 2447 . 1 1 7 GLN C C 37.418 20.191 19.598 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c30355_6be7 1 . 20 . 2448 . 1 1 7 GLN CA C 37.630 20.293 18.095 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c30355_6be7 1 . 20 . 2449 . 1 1 7 GLN CB C 38.684 21.393 17.836 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c30355_6be7 1 . 20 . 2450 . 1 1 7 GLN CD C 40.030 22.451 16.009 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c30355_6be7 1 . 20 . 2451 . 1 1 7 GLN CG C 39.396 21.154 16.500 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c30355_6be7 1 . 20 . 2452 . 1 1 7 GLN H H 36.177 21.316 16.858 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c30355_6be7 1 . 20 . 2453 . 1 1 7 GLN HA H 38.038 19.336 17.776 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c30355_6be7 1 . 20 . 2454 . 1 1 7 GLN HB2 H 38.213 22.353 17.837 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c30355_6be7 1 . 20 . 2455 . 1 1 7 GLN HB3 H 39.427 21.374 18.630 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c30355_6be7 1 . 20 . 2456 . 1 1 7 GLN HE21 H 41.495 22.413 17.348 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c30355_6be7 1 . 20 . 2457 . 1 1 7 GLN HE22 H 41.516 23.737 16.288 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c30355_6be7 1 . 20 . 2458 . 1 1 7 GLN HG2 H 40.162 20.411 16.637 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c30355_6be7 1 . 20 . 2459 . 1 1 7 GLN HG3 H 38.696 20.802 15.768 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c30355_6be7 1 . 20 . 2460 . 1 1 7 GLN N N 36.354 20.501 17.361 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c30355_6be7 1 . 20 . 2461 . 1 1 7 GLN NE2 N 41.103 22.904 16.597 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c30355_6be7 1 . 20 . 2462 . 1 1 7 GLN O O 37.427 21.207 20.314 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c30355_6be7 1 . 20 . 2463 . 1 1 7 GLN OE1 O 39.536 23.066 15.065 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c30355_6be7 1 . 20 . 2464 . 1 1 8 . C C 36.125 19.516 22.163 . . . 1.0 . . . . . . . . . . . . A . 8 DGN C . . . . . . . . . c30355_6be7 1 . 20 . 2465 . 1 1 8 . CA C 37.142 18.621 21.469 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CA . . . . . . . . . c30355_6be7 1 . 20 . 2466 . 1 1 8 . CB C 36.722 17.146 21.653 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CB . . . . . . . . . c30355_6be7 1 . 20 . 2467 . 1 1 8 . CD C 37.499 14.767 21.761 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CD . . . . . . . . . c30355_6be7 1 . 20 . 2468 . 1 1 8 . CG C 37.940 16.224 21.871 . . . 1.0 . . . . . . . . . . . . A . 8 DGN CG . . . . . . . . . c30355_6be7 1 . 20 . 2469 . 1 1 8 . H H 37.330 18.202 19.411 . . . 1.0 . . . . . . . . . . . . A . 8 DGN H . . . . . . . . . c30355_6be7 1 . 20 . 2470 . 1 1 8 . HA H 38.097 18.781 21.931 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HA . . . . . . . . . c30355_6be7 1 . 20 . 2471 . 1 1 8 . HB2 H 36.071 17.073 22.510 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB2 . . . . . . . . . c30355_6be7 1 . 20 . 2472 . 1 1 8 . HB3 H 36.184 16.819 20.776 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HB3 . . . . . . . . . c30355_6be7 1 . 20 . 2473 . 1 1 8 . HE21 H 37.648 14.721 19.780 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE21 . . . . . . . . . c30355_6be7 1 . 20 . 2474 . 1 1 8 . HE22 H 37.139 13.268 20.507 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HE22 . . . . . . . . . c30355_6be7 1 . 20 . 2475 . 1 1 8 . HG2 H 38.695 16.417 21.122 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG2 . . . . . . . . . c30355_6be7 1 . 20 . 2476 . 1 1 8 . HG3 H 38.353 16.389 22.858 . . . 1.0 . . . . . . . . . . . . A . 8 DGN HG3 . . . . . . . . . c30355_6be7 1 . 20 . 2477 . 1 1 8 . N N 37.289 18.939 20.054 . . . 1.0 . . . . . . . . . . . . A . 8 DGN N . . . . . . . . . c30355_6be7 1 . 20 . 2478 . 1 1 8 . NE2 N 37.422 14.206 20.585 . . . 1.0 . . . . . . . . . . . . A . 8 DGN NE2 . . . . . . . . . c30355_6be7 1 . 20 . 2479 . 1 1 8 . O O 34.919 19.404 21.937 . . . 1.0 . . . . . . . . . . . . A . 8 DGN O . . . . . . . . . c30355_6be7 1 . 20 . 2480 . 1 1 8 . OE1 O 37.218 14.125 22.772 . . . 1.0 . . . . . . . . . . . . A . 8 DGN OE1 . . . . . . . . . c30355_6be7 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 c30355_6be7 _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 6be7.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30355_6be7 1 1 6be7.mr . . XPLOR/CNS 2 distance NOE simple 170 c30355_6be7 1 1 6be7.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30355_6be7 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 c30355_6be7 _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 . . . . c30355_6be7 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 ASP HA H . . . 1 1 2 2 ASP H H . . . . . 3.5 2.3 4.7 . . . . . A . 1 ASP HA . . A . 2 ASP H . . . 1 . HA . . . . . 2 . HN . . c30355_6be7 1 2 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HA H . . . . . 3.5 2.3 4.7 . . . . . A . 2 ASP H . . A . 2 ASP HA . . . 2 . HN . . . . . 2 . HA . . c30355_6be7 1 3 1 . . 1 1 2 2 ASP HA H . . . 1 1 4 4 THR H H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP HA . . A . 4 THR H . . . 2 . HA . . . . . 4 . HN . . c30355_6be7 1 4 1 . . 1 1 2 2 ASP H H . . . 1 1 3 3 PRO HA H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP H . . A . 3 PRO HA . . . 2 . HN . . . . . 3 . HA . . c30355_6be7 1 5 1 . . 1 1 4 4 THR H H . . . 1 1 3 3 PRO HA H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR H . . A . 3 PRO HA . . . 4 . HN . . . . . 3 . HA . . c30355_6be7 1 6 1 . . 1 1 4 4 THR H H . . . 1 1 4 4 THR HA H . . . . . 3.5 2.3 4.7 . . . . . A . 4 THR H . . A . 4 THR HA . . . 4 . HN . . . . . 4 . HA . . c30355_6be7 1 7 1 . . 1 1 5 5 DPR HA H . . . 1 1 7 7 GLN H H . . . . . 4.5 2.9 6.1 . . . . . A . 5 DPR HA . . A . 7 GLN H . . . 5 . HA . . . . . 7 . HN . . c30355_6be7 1 8 1 . . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HA H . . . . . 4.5 2.9 6.1 . . . . . A . 7 GLN H . . A . 7 GLN HA . . . 7 . HN . . . . . 7 . HA . . c30355_6be7 1 9 1 . . 1 1 3 3 PRO HA H . . . 1 1 4 4 THR HA H . . . . . 4.5 2.9 6.1 . . . . . A . 3 PRO HA . . A . 4 THR HA . . . 3 . HA . . . . . 4 . HA . . c30355_6be7 1 10 1 . . 1 1 3 3 PRO HA H . . . 1 1 4 4 THR HA H . . . . . 4.5 2.9 6.1 . . . . . A . 3 PRO HA . . A . 4 THR HA . . . 3 . HA . . . . . 4 . HA . . c30355_6be7 1 11 1 . . 1 1 1 1 ASP HA H . . . 1 1 1 1 ASP HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 1 ASP HA . . A . 1 ASP HB3 . . . 1 . HA . . . . . 1 . HB1 . . c30355_6be7 1 12 1 . . 1 1 1 1 ASP HA H . . . 1 1 1 1 ASP HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 1 ASP HA . . A . 1 ASP HB2 . . . 1 . HA . . . . . 1 . HB2 . . c30355_6be7 1 13 1 . . 1 1 2 2 ASP HA H . . . 1 1 1 1 ASP HB2 H . . . . . 3.5 2.3 4.7 . . . . . A . 2 ASP HA . . A . 1 ASP HB2 . . . 2 . HA . . . . . 1 . HB2 . . c30355_6be7 1 14 1 . . 1 1 2 2 ASP HA H . . . 1 1 2 2 ASP HB3 H . . . . . 3.5 2.3 4.7 . . . . . A . 2 ASP HA . . A . 2 ASP HB3 . . . 2 . HA . . . . . 2 . HB1 . . c30355_6be7 1 15 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB3 H . . . . . 3.5 2.3 4.7 . . . . . A . 2 ASP H . . A . 2 ASP HB3 . . . 2 . HN . . . . . 2 . HB1 . . c30355_6be7 1 16 1 . . 1 1 2 2 ASP HB3 H . . . 1 1 2 2 ASP HB2 H . . . . . 2.5 1.8 3.2 . . . . . A . 2 ASP HB3 . . A . 2 ASP HB2 . . . 2 . HB1 . . . . . 2 . HB2 . . c30355_6be7 1 17 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB2 H . . . . . 3.5 2.3 4.7 . . . . . A . 2 ASP H . . A . 2 ASP HB2 . . . 2 . HN . . . . . 2 . HB2 . . c30355_6be7 1 18 1 OR . 1 1 2 2 ASP HA H . . . 1 1 3 3 PRO HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP HA . . A . 3 PRO HG2 . . . 2 . HA . . . . . 3 . HG# . . c30355_6be7 1 18 2 OR . 1 1 2 2 ASP HA H . . . 1 1 3 3 PRO HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP HA . . A . 3 PRO HG3 . . . 2 . HA . . . . . 3 . HG# . . c30355_6be7 1 19 1 . . 1 1 2 2 ASP HA H . . . 1 1 2 2 ASP HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP HA . . A . 2 ASP HB3 . . . 2 . HA . . . . . 2 . HB1 . . c30355_6be7 1 20 1 . . 1 1 2 2 ASP HB3 H . . . 1 1 3 3 PRO HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP HB3 . . A . 3 PRO HD2 . . . 2 . HB1 . . . . . 3 . HD2 . . c30355_6be7 1 21 1 . . 1 1 4 4 THR H H . . . 1 1 2 2 ASP HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR H . . A . 2 ASP HB3 . . . 4 . HN . . . . . 2 . HB1 . . c30355_6be7 1 22 1 . . 1 1 7 7 GLN H H . . . 1 1 2 2 ASP HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 GLN H . . A . 2 ASP HB3 . . . 7 . HN . . . . . 2 . HB1 . . c30355_6be7 1 23 1 . . 1 1 2 2 ASP HA H . . . 1 1 2 2 ASP HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP HA . . A . 2 ASP HB2 . . . 2 . HA . . . . . 2 . HB2 . . c30355_6be7 1 24 1 . . 1 1 2 2 ASP HB2 H . . . 1 1 3 3 PRO HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP HB2 . . A . 3 PRO HD2 . . . 2 . HB2 . . . . . 3 . HD2 . . c30355_6be7 1 25 1 . . 1 1 4 4 THR H H . . . 1 1 2 2 ASP HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR H . . A . 2 ASP HB2 . . . 4 . HN . . . . . 2 . HB2 . . c30355_6be7 1 26 1 . . 1 1 7 7 GLN H H . . . 1 1 2 2 ASP HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 GLN H . . A . 2 ASP HB2 . . . 7 . HN . . . . . 2 . HB2 . . c30355_6be7 1 27 1 OR . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HB3 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HA . . A . 3 PRO HB3 . . . 3 . HA . . . . . 3 . HB# . . c30355_6be7 1 27 2 OR . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HB2 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HA . . A . 3 PRO HB2 . . . 3 . HA . . . . . 3 . HB# . . c30355_6be7 1 28 1 . . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HB3 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HA . . A . 3 PRO HB3 . . . 3 . HA . . . . . 3 . HB1 . . c30355_6be7 1 29 1 OR . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HD2 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HA . . A . 3 PRO HD2 . . . 3 . HA . . . . . 3 . HD# . . c30355_6be7 1 29 2 OR . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HD3 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HA . . A . 3 PRO HD3 . . . 3 . HA . . . . . 3 . HD# . . c30355_6be7 1 30 1 OR . 1 1 3 3 PRO HG3 H . . . 1 1 3 3 PRO HD2 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HG3 . . A . 3 PRO HD2 . . . 3 . HG# . . . . . 3 . HD2 . . c30355_6be7 1 30 2 OR . 1 1 3 3 PRO HD2 H . . . 1 1 3 3 PRO HG2 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HD2 . . A . 3 PRO HG2 . . . 3 . HD2 . . . . . 3 . HG# . . c30355_6be7 1 31 1 . . 1 1 4 4 THR H H . . . 1 1 3 3 PRO HD2 H . . . . . 3.5 2.3 4.7 . . . . . A . 4 THR H . . A . 3 PRO HD2 . . . 4 . HN . . . . . 3 . HD2 . . c30355_6be7 1 32 1 OR . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HG2 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HA . . A . 3 PRO HG2 . . . 3 . HA . . . . . 3 . HG# . . c30355_6be7 1 32 2 OR . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HG3 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HA . . A . 3 PRO HG3 . . . 3 . HA . . . . . 3 . HG# . . c30355_6be7 1 33 1 OR . 1 1 3 3 PRO HG3 H . . . 1 1 3 3 PRO HD2 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HG3 . . A . 3 PRO HD2 . . . 3 . HG# . . . . . 3 . HD2 . . c30355_6be7 1 33 2 OR . 1 1 3 3 PRO HD2 H . . . 1 1 3 3 PRO HG2 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HD2 . . A . 3 PRO HG2 . . . 3 . HD2 . . . . . 3 . HG# . . c30355_6be7 1 34 1 OR . 1 1 3 3 PRO HG3 H . . . 1 1 3 3 PRO HD3 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HG3 . . A . 3 PRO HD3 . . . 3 . HG# . . . . . 3 . HD1 . . c30355_6be7 1 34 2 OR . 1 1 3 3 PRO HD3 H . . . 1 1 3 3 PRO HG2 H . . . . . 3.5 2.3 4.7 . . . . . A . 3 PRO HD3 . . A . 3 PRO HG2 . . . 3 . HD1 . . . . . 3 . HG# . . c30355_6be7 1 35 1 OR . 1 1 4 4 THR H H . . . 1 1 3 3 PRO HG2 H . . . . . 3.5 2.3 4.7 . . . . . A . 4 THR H . . A . 3 PRO HG2 . . . 4 . HN . . . . . 3 . HG# . . c30355_6be7 1 35 2 OR . 1 1 4 4 THR H H . . . 1 1 3 3 PRO HG3 H . . . . . 3.5 2.3 4.7 . . . . . A . 4 THR H . . A . 3 PRO HG3 . . . 4 . HN . . . . . 3 . HG# . . c30355_6be7 1 36 1 OR . 1 1 4 4 THR H H . . . 1 1 3 3 PRO HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR H . . A . 3 PRO HB3 . . . 4 . HN . . . . . 3 . HB# . . c30355_6be7 1 36 2 OR . 1 1 4 4 THR H H . . . 1 1 3 3 PRO HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR H . . A . 3 PRO HB2 . . . 4 . HN . . . . . 3 . HB# . . c30355_6be7 1 37 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 3 3 PRO HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 PRO HD3 . . A . 3 PRO HB3 . . . 3 . HD1 . . . . . 3 . HB1 . . c30355_6be7 1 38 1 . . 1 1 3 3 PRO HB3 H . . . 1 1 3 3 PRO HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 PRO HB3 . . A . 3 PRO HD2 . . . 3 . HB1 . . . . . 3 . HD2 . . c30355_6be7 1 39 1 . . 1 1 2 2 ASP H H . . . 1 1 3 3 PRO HD3 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP H . . A . 3 PRO HD3 . . . 2 . HN . . . . . 3 . HD1 . . c30355_6be7 1 40 1 . . 1 1 2 2 ASP H H . . . 1 1 3 3 PRO HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP H . . A . 3 PRO HD2 . . . 2 . HN . . . . . 3 . HD2 . . c30355_6be7 1 41 1 OR . 1 1 3 3 PRO HB3 H . . . 1 1 3 3 PRO HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 PRO HB3 . . A . 3 PRO HD2 . . . 3 . HB# . . . . . 3 . HD2 . . c30355_6be7 1 41 2 OR . 1 1 3 3 PRO HB2 H . . . 1 1 3 3 PRO HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 PRO HB2 . . A . 3 PRO HD2 . . . 3 . HB# . . . . . 3 . HD2 . . c30355_6be7 1 42 1 . . 1 1 3 3 PRO HB2 H . . . 1 1 3 3 PRO HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 PRO HB2 . . A . 3 PRO HD2 . . . 3 . HB2 . . . . . 3 . HD2 . . c30355_6be7 1 43 1 . . 1 1 4 4 THR HA H . . . 1 1 4 4 THR HB H . . . . . 3.5 2.3 4.7 . . . . . A . 4 THR HA . . A . 4 THR HB . . . 4 . HA . . . . . 4 . HB# . . c30355_6be7 1 44 1 . . 1 1 4 4 THR H H . . . 1 1 4 4 THR HB H . . . . . 3.5 2.3 4.7 . . . . . A . 4 THR H . . A . 4 THR HB . . . 4 . HN . . . . . 4 . HB# . . c30355_6be7 1 45 1 . . 1 1 4 4 THR HA H . . . 1 1 4 4 THR MG H . . . . . 3.5 2.3 4.7 . . . . . A . 4 THR HA . . A . 4 THR MG . . . 4 . HA . . . . . 4 . HG2# . . c30355_6be7 1 46 1 . . 1 1 4 4 THR HB H . . . 1 1 4 4 THR MG H . . . . . 3.5 2.3 4.7 . . . . . A . 4 THR HB . . A . 4 THR MG . . . 4 . HB# . . . . . 4 . HG2# . . c30355_6be7 1 47 1 OR . 1 1 4 4 THR HA H . . . 1 1 3 3 PRO HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR HA . . A . 3 PRO HB3 . . . 4 . HA . . . . . 3 . HB# . . c30355_6be7 1 47 2 OR . 1 1 4 4 THR HA H . . . 1 1 3 3 PRO HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR HA . . A . 3 PRO HB2 . . . 4 . HA . . . . . 3 . HB# . . c30355_6be7 1 48 1 . . 1 1 4 4 THR HB H . . . 1 1 7 7 GLN HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR HB . . A . 7 GLN HG3 . . . 4 . HB# . . . . . 7 . HG1 . . c30355_6be7 1 49 1 . . 1 1 4 4 THR HB H . . . 1 1 7 7 GLN HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR HB . . A . 7 GLN HG2 . . . 4 . HB# . . . . . 7 . HG2 . . c30355_6be7 1 50 1 OR . 1 1 4 4 THR MG H . . . 1 1 3 3 PRO HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR MG . . A . 3 PRO HG2 . . . 4 . HG2# . . . . . 3 . HG# . . c30355_6be7 1 50 2 OR . 1 1 3 3 PRO HG3 H . . . 1 1 4 4 THR MG H . . . . . 4.5 2.9 6.1 . . . . . A . 3 PRO HG3 . . A . 4 THR MG . . . 3 . HG# . . . . . 4 . HG2# . . c30355_6be7 1 51 1 . . 1 1 4 4 THR H H . . . 1 1 4 4 THR MG H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR H . . A . 4 THR MG . . . 4 . HN . . . . . 4 . HG2# . . c30355_6be7 1 52 1 . . 1 1 5 5 DPR HA H . . . 1 1 4 4 THR MG H . . . . . 4.5 2.9 6.1 . . . . . A . 5 DPR HA . . A . 4 THR MG . . . 5 . HA . . . . . 4 . HG2# . . c30355_6be7 1 53 1 . . 1 1 4 4 THR MG H . . . 1 1 5 5 DPR HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR MG . . A . 5 DPR HD2 . . . 4 . HG2# . . . . . 5 . HD2 . . c30355_6be7 1 54 1 . . 1 1 4 4 THR MG H . . . 1 1 7 7 GLN HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR MG . . A . 7 GLN HG3 . . . 4 . HG2# . . . . . 7 . HG1 . . c30355_6be7 1 55 1 . . 1 1 4 4 THR MG H . . . 1 1 7 7 GLN HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR MG . . A . 7 GLN HG2 . . . 4 . HG2# . . . . . 7 . HG2 . . c30355_6be7 1 56 1 . . 1 1 4 4 THR HA H . . . 1 1 5 5 DPR HD2 H . . . . . 3.5 2.3 4.7 . . . . . A . 4 THR HA . . A . 5 DPR HD2 . . . 4 . HA . . . . . 5 . HD2 . . c30355_6be7 1 57 1 . . 1 1 5 5 DPR HA H . . . 1 1 5 5 DPR HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 5 DPR HA . . A . 5 DPR HD2 . . . 5 . HA . . . . . 5 . HD2 . . c30355_6be7 1 58 1 . . 1 1 5 5 DPR HA H . . . 1 1 7 7 GLN HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 5 DPR HA . . A . 7 GLN HG3 . . . 5 . HA . . . . . 7 . HG1 . . c30355_6be7 1 59 1 . . 1 1 5 5 DPR HA H . . . 1 1 7 7 GLN HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 5 DPR HA . . A . 7 GLN HG2 . . . 5 . HA . . . . . 7 . HG2 . . c30355_6be7 1 60 1 . . 1 1 4 4 THR HB H . . . 1 1 5 5 DPR HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR HB . . A . 5 DPR HD2 . . . 4 . HB# . . . . . 5 . HD2 . . c30355_6be7 1 61 1 . . 1 1 4 4 THR H H . . . 1 1 5 5 DPR HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 4 THR H . . A . 5 DPR HD2 . . . 4 . HN . . . . . 5 . HD2 . . c30355_6be7 1 62 1 . . 1 1 5 5 DPR HA H . . . 1 1 5 5 DPR HD2 H . . . . . 4.5 2.9 6.1 . . . . . A . 5 DPR HA . . A . 5 DPR HD2 . . . 5 . HA . . . . . 5 . HD2 . . c30355_6be7 1 63 1 . . 1 1 7 7 GLN HB2 H . . . 1 1 7 7 GLN HB3 H . . . . . 2.5 1.8 3.2 . . . . . A . 7 GLN HB2 . . A . 7 GLN HB3 . . . 7 . HB2 . . . . . 7 . HB1 . . c30355_6be7 1 64 1 . . 1 1 7 7 GLN HG3 H . . . 1 1 7 7 GLN HG2 H . . . . . 2.5 1.8 3.2 . . . . . A . 7 GLN HG3 . . A . 7 GLN HG2 . . . 7 . HG1 . . . . . 7 . HG2 . . c30355_6be7 1 65 1 . . 1 1 7 7 GLN HG3 H . . . 1 1 7 7 GLN HG2 H . . . . . 2.5 1.8 3.2 . . . . . A . 7 GLN HG3 . . A . 7 GLN HG2 . . . 7 . HG1 . . . . . 7 . HG2 . . c30355_6be7 1 66 1 . . 1 1 2 2 ASP H H . . . 1 1 7 7 GLN HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP H . . A . 7 GLN HB3 . . . 2 . HN . . . . . 7 . HB1 . . c30355_6be7 1 67 1 . . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 GLN HA . . A . 7 GLN HB3 . . . 7 . HA . . . . . 7 . HB1 . . c30355_6be7 1 68 1 . . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 GLN H . . A . 7 GLN HB3 . . . 7 . HN . . . . . 7 . HB1 . . c30355_6be7 1 69 1 . . 1 1 2 2 ASP HB3 H . . . 1 1 7 7 GLN HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP HB3 . . A . 7 GLN HB2 . . . 2 . HB1 . . . . . 7 . HB2 . . c30355_6be7 1 70 1 . . 1 1 2 2 ASP HB2 H . . . 1 1 7 7 GLN HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP HB2 . . A . 7 GLN HB2 . . . 2 . HB2 . . . . . 7 . HB2 . . c30355_6be7 1 71 1 . . 1 1 2 2 ASP H H . . . 1 1 7 7 GLN HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP H . . A . 7 GLN HB2 . . . 2 . HN . . . . . 7 . HB2 . . c30355_6be7 1 72 1 . . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 GLN HA . . A . 7 GLN HB2 . . . 7 . HA . . . . . 7 . HB2 . . c30355_6be7 1 73 1 . . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 GLN H . . A . 7 GLN HB2 . . . 7 . HN . . . . . 7 . HB2 . . c30355_6be7 1 74 1 . . 1 1 2 2 ASP H H . . . 1 1 7 7 GLN HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP H . . A . 7 GLN HG3 . . . 2 . HN . . . . . 7 . HG1 . . c30355_6be7 1 75 1 . . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 GLN HA . . A . 7 GLN HG3 . . . 7 . HA . . . . . 7 . HG1 . . c30355_6be7 1 76 1 . . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 GLN H . . A . 7 GLN HG3 . . . 7 . HN . . . . . 7 . HG1 . . c30355_6be7 1 77 1 . . 1 1 2 2 ASP H H . . . 1 1 7 7 GLN HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 2 ASP H . . A . 7 GLN HG2 . . . 2 . HN . . . . . 7 . HG2 . . c30355_6be7 1 78 1 . . 1 1 7 7 GLN HA H . . . 1 1 7 7 GLN HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 GLN HA . . A . 7 GLN HG2 . . . 7 . HA . . . . . 7 . HG2 . . c30355_6be7 1 79 1 . . 1 1 7 7 GLN H H . . . 1 1 7 7 GLN HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 GLN H . . A . 7 GLN HG2 . . . 7 . HN . . . . . 7 . HG2 . . c30355_6be7 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: Slant_052117_noe.tbl' 1 1 1 41 c30355_6be7 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 SLANT peptide ! Updated 052117 mds SLANT, 8mer ASP ASP PRO THR pro arg GLN gln 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 = 170 long range (j-i >6) = 8 short range (2 > j-i < 5) = 30 sequential (i to j) = 48 intraresidue (i to i) = 84 ------------------------------------------------------------------------! ! BACKBONE !! ! HA-HN !! ; 2 1 25 12 c30355_6be7 1 2 '! HA-HA !!' 47 1 47 12 c30355_6be7 1 3 '! HN-HN !!' 58 1 58 12 c30355_6be7 1 4 '! SIDE CHAIN !!' 66 1 66 17 c30355_6be7 1 5 'assign ( resid 1 and name HA ) ( resid 6 and name HE ) 4.5 1.6 1.6' 70 1 70 74 c30355_6be7 1 6 'assign ( resid 2 and name HB2 ) ( resid 6 and name HD# ) 4.5 1.6 1.6' 77 1 77 74 c30355_6be7 1 7 'assign ( resid 2 and name HB1 ) ( resid 8 and name HA ) 4.5 1.6 1.6' 88 1 88 75 c30355_6be7 1 8 'assign ( resid 3 and name HD1 ) ( resid 7 and name HN ) 4.5 1.6 1.6' 113 1 113 75 c30355_6be7 1 9 'assign ( resid 4 and name HG2# ) ( resid 3 and name HD1 ) 4.5 1.6 1.6' 127 1 127 75 c30355_6be7 1 10 'assign ( resid 4 and name HG2# ) ( resid 8 and name HB# ) 4.5 1.6 1.6' 137 1 137 75 c30355_6be7 1 11 'assign ( resid 6 and name HA ) ( resid 4 and name HN ) 4.5 1.6 1.6' 178 1 178 75 c30355_6be7 1 12 'assign ( resid 6 and name HG2 ) ( resid 3 and name HA ) 4.5 1.6 1.6' 196 1 196 75 c30355_6be7 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" c30355_6be7 1 2 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30355_6be7 1 3 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30355_6be7 1 4 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30355_6be7 1 5 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30355_6be7 1 6 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HA' (nmrStar names) not linked" c30355_6be7 1 7 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30355_6be7 1 8 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .1.HN' (nmrStar names),' .8.HA' (nmrStar names) not linked" c30355_6be7 1 9 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c30355_6be7 1 10 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .8.HA' (nmrStar names),' .8.HN' (nmrStar names) not linked" c30355_6be7 1 11 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c30355_6be7 1 12 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30355_6be7 1 13 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30355_6be7 1 14 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30355_6be7 1 15 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c30355_6be7 1 16 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30355_6be7 1 17 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c30355_6be7 1 18 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .1.HN' (nmrStar names),' .8.HN' (nmrStar names) not linked" c30355_6be7 1 19 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30355_6be7 1 20 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30355_6be7 1 21 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c30355_6be7 1 22 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30355_6be7 1 23 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .6.HB2' (nmrStar names) not linked" c30355_6be7 1 24 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .6.HE' (nmrStar names) not linked" c30355_6be7 1 25 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .6.HE' (nmrStar names) not linked" c30355_6be7 1 26 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .6.HE' (nmrStar names) not linked" c30355_6be7 1 27 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .5.HD1' (nmrStar names) not linked" c30355_6be7 1 28 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .5.HG#' (nmrStar names) not linked" c30355_6be7 1 29 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30355_6be7 1 30 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .5.HD1' (nmrStar names) not linked" c30355_6be7 1 31 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .5.HB#' (nmrStar names) not linked" c30355_6be7 1 32 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .5.HD1' (nmrStar names) not linked" c30355_6be7 1 33 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .5.HG#' (nmrStar names) not linked" c30355_6be7 1 34 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .5.HG#' (nmrStar names) not linked" c30355_6be7 1 35 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .5.HG#' (nmrStar names) not linked" c30355_6be7 1 36 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .5.HG#' (nmrStar names) not linked" c30355_6be7 1 37 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .5.HD1' (nmrStar names),' .5.HG#' (nmrStar names) not linked" c30355_6be7 1 38 2 96 1 "Not handling restraint 96, item 1, resonance(s) ' .5.HB#' (nmrStar names) not linked" c30355_6be7 1 39 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .5.HD1' (nmrStar names),' .5.HB#' (nmrStar names) not linked" c30355_6be7 1 40 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .6.HN' (nmrStar names),' .5.HB#' (nmrStar names) not linked" c30355_6be7 1 41 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .5.HD1' (nmrStar names) not linked" c30355_6be7 1 42 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .5.HD1' (nmrStar names) not linked" c30355_6be7 1 43 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .6.HN' (nmrStar names),' .5.HD1' (nmrStar names) not linked" c30355_6be7 1 44 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .5.HG#' (nmrStar names) not linked" c30355_6be7 1 45 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30355_6be7 1 46 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .6.HN' (nmrStar names),' .5.HG#' (nmrStar names) not linked" c30355_6be7 1 47 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HB1' (nmrStar names) not linked" c30355_6be7 1 48 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HB2' (nmrStar names) not linked" c30355_6be7 1 49 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HG1' (nmrStar names) not linked" c30355_6be7 1 50 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HB1' (nmrStar names) not linked" c30355_6be7 1 51 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HB1' (nmrStar names) not linked" c30355_6be7 1 52 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HB2' (nmrStar names) not linked" c30355_6be7 1 53 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HB2' (nmrStar names) not linked" c30355_6be7 1 54 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HG1' (nmrStar names) not linked" c30355_6be7 1 55 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HG1' (nmrStar names) not linked" c30355_6be7 1 56 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HG2' (nmrStar names) not linked" c30355_6be7 1 57 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HE' (nmrStar names) not linked" c30355_6be7 1 58 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .6.HA' (nmrStar names),' .6.HG2' (nmrStar names) not linked" c30355_6be7 1 59 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .6.HB1' (nmrStar names) not linked" c30355_6be7 1 60 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .6.HB1' (nmrStar names),' .6.HD#' (nmrStar names) not linked" c30355_6be7 1 61 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .6.HE' (nmrStar names),' .6.HB1' (nmrStar names) not linked" c30355_6be7 1 62 2 123 1 "Not handling restraint 123, item 1, resonance(s) ' .6.HB1' (nmrStar names) not linked" c30355_6be7 1 63 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .6.HB2' (nmrStar names),' .6.HD#' (nmrStar names) not linked" c30355_6be7 1 64 2 125 1 "Not handling restraint 125, item 1, resonance(s) ' .6.HB2' (nmrStar names),' .6.HE' (nmrStar names) not linked" c30355_6be7 1 65 2 126 1 "Not handling restraint 126, item 1, resonance(s) ' .6.HB2' (nmrStar names) not linked" c30355_6be7 1 66 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .6.HD#' (nmrStar names) not linked" c30355_6be7 1 67 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .6.HB1' (nmrStar names),' .6.HD#' (nmrStar names) not linked" c30355_6be7 1 68 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .6.HB2' (nmrStar names),' .6.HD#' (nmrStar names) not linked" c30355_6be7 1 69 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .6.HE' (nmrStar names),' .6.HD#' (nmrStar names) not linked" c30355_6be7 1 70 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .6.HG1' (nmrStar names),' .6.HD#' (nmrStar names) not linked" c30355_6be7 1 71 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .6.HG2' (nmrStar names),' .6.HD#' (nmrStar names) not linked" c30355_6be7 1 72 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .8.HN' (nmrStar names),' .6.HG#' (nmrStar names) not linked" c30355_6be7 1 73 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .6.HG1' (nmrStar names) not linked" c30355_6be7 1 74 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .6.HG2' (nmrStar names),' .6.HD#' (nmrStar names) not linked" c30355_6be7 1 75 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .6.HE' (nmrStar names),' .6.HG2' (nmrStar names) not linked" c30355_6be7 1 76 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HG2' (nmrStar names) not linked" c30355_6be7 1 77 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .6.HG2' (nmrStar names) not linked" c30355_6be7 1 78 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c30355_6be7 1 79 2 146 1 "Not handling restraint 146, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c30355_6be7 1 80 2 147 1 "Not handling restraint 147, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c30355_6be7 1 81 2 151 1 "Not handling restraint 151, item 1, resonance(s) ' .6.HE' (nmrStar names) not linked" c30355_6be7 1 82 2 158 1 "Not handling restraint 158, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30355_6be7 1 83 2 161 1 "Not handling restraint 161, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c30355_6be7 1 84 2 162 1 "Not handling restraint 162, item 1, resonance(s) ' .8.HG1' (nmrStar names),' .8.HG2' (nmrStar names) not linked" c30355_6be7 1 85 2 163 1 "Not handling restraint 163, item 1, resonance(s) ' .8.HE22' (nmrStar names),' .8.HE21' (nmrStar names) not linked" c30355_6be7 1 86 2 164 1 "Not handling restraint 164, item 1, resonance(s) ' .8.HA' (nmrStar names),' .8.HB#' (nmrStar names) not linked" c30355_6be7 1 87 2 165 1 "Not handling restraint 165, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HB#' (nmrStar names) not linked" c30355_6be7 1 88 2 166 1 "Not handling restraint 166, item 1, resonance(s) ' .1.HN' (nmrStar names),' .8.HB#' (nmrStar names) not linked" c30355_6be7 1 89 2 167 1 "Not handling restraint 167, item 1, resonance(s) ' .1.HN' (nmrStar names),' .8.HG#' (nmrStar names) not linked" c30355_6be7 1 90 2 168 1 "Not handling restraint 168, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HG#' (nmrStar names) not linked" c30355_6be7 1 91 2 169 1 "Not handling restraint 169, item 1, resonance(s) ' .8.HN' (nmrStar names),' .6.HB1' (nmrStar names) not linked" c30355_6be7 1 92 2 170 1 "Not handling restraint 170, item 1, resonance(s) ' .8.HN' (nmrStar names),' .6.HE' (nmrStar names) not linked" c30355_6be7 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 c30355_6be7 _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 24-OCT-17 6BE7 *TITLE SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN8.1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DDPT(DPR)(DAR)Q(DGN); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 OTHER_DETAILS: HEAD TO TAIL CYCLIC BETWEEN POSITION 1 AND 8 *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_TAXID: 9606 *KEYWDS MACROCYCLE, DESIGN, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER *REVDAT 1 03-JAN-18 6BE7 0' save_