data_c30356_6be9 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30356_6be9 _Entry.Title ; Solution structure of de novo macrocycle design7.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-24 _Entry.Accession_date 2017-10-24 _Entry.Last_release_date 2017-12-21 _Entry.Original_release_date 2017-12-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.10 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Shortridge M. D. . . c30356_6be9 2 P. Hosseinzadeh P. . . . c30356_6be9 3 F. Pardo-Avila F. . . . c30356_6be9 4 G. Varani G. . . . c30356_6be9 5 B. Baker B. . . . c30356_6be9 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . c30356_6be9 'de novo' . c30356_6be9 macrocycle . c30356_6be9 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30356_6be9 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 8 c30356_6be9 '1H chemical shifts' 43 c30356_6be9 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-12-26 . original BMRB . c30356_6be9 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6BE9 'BMRB Entry Tracking System' c30356_6be9 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30356_6be9 _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. . . . c30356_6be9 1 2 G. Bhardwaj G. . . . c30356_6be9 1 3 V. Mulligan V. K. . . c30356_6be9 1 4 M. Shortridge M. D. . . c30356_6be9 1 5 T. Craven T. W. . . c30356_6be9 1 6 F. Pardo-Avila F. . . . c30356_6be9 1 7 S. Rettie S. A. . . c30356_6be9 1 8 D. Kim D. E. . . c30356_6be9 1 9 D. Silva D. A. . . c30356_6be9 1 10 Y. Ibrahim Y. M. . . c30356_6be9 1 11 I. Webb I. K. . . c30356_6be9 1 12 J. Cort J. R. . . c30356_6be9 1 13 J. Adkins J. N. . . c30356_6be9 1 14 G. Varani G. . . . c30356_6be9 1 15 D. Baker D. . . . c30356_6be9 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30356_6be9 _Assembly.ID 1 _Assembly.Name T(DLY)NDT(DSG)(DPR) _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 . . . . . . c30356_6be9 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30356_6be9 _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 ; TXNDTXX ; _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 7 _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 788.804 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . THR . c30356_6be9 1 2 . DLY . c30356_6be9 1 3 . ASN . c30356_6be9 1 4 . ASP . c30356_6be9 1 5 . THR . c30356_6be9 1 6 . DSG . c30356_6be9 1 7 . DPR . c30356_6be9 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 . THR 1 1 c30356_6be9 1 . DLY 2 2 c30356_6be9 1 . ASN 3 3 c30356_6be9 1 . ASP 4 4 c30356_6be9 1 . THR 5 5 c30356_6be9 1 . DSG 6 6 c30356_6be9 1 . DPR 7 7 c30356_6be9 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 c30356_6be9 _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 . . . . . . . . . . . . . c30356_6be9 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 c30356_6be9 _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' . . . . . . . . . . . . . . . . c30356_6be9 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DPR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DPR _Chem_comp.Entry_ID c30356_6be9 _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 c30356_6be9 DPR C1C[C@@H](NC1)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c30356_6be9 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 c30356_6be9 DPR O=C(O)C1NCCC1 SMILES ACDLabs 12.01 c30356_6be9 DPR OC(=O)[C@H]1CCCN1 SMILES_CANONICAL CACTVS 3.370 c30356_6be9 DPR OC(=O)[CH]1CCCN1 SMILES CACTVS 3.370 c30356_6be9 DPR ONIBWKKTOPOVIA-SCSAIBSYSA-N InChIKey InChI 1.03 c30356_6be9 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 c30356_6be9 DPR D-proline 'SYSTEMATIC NAME' ACDLabs 12.01 c30356_6be9 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 . c30356_6be9 DPR CA CA CA CA . C . . R 0 . . . 1 no no . . . . -3.893 . 8.671 . -18.566 . -0.014 -0.244 0.598 2 . c30356_6be9 DPR CB CB CB CB . C . . N 0 . . . 1 no no . . . . -5.242 . 9.255 . -18.952 . 0.728 -1.247 -0.310 3 . c30356_6be9 DPR CG CG CG CG . C . . N 0 . . . 1 no no . . . . -6.239 . 8.113 . -18.840 . 2.199 -0.759 -0.242 4 . c30356_6be9 DPR CD CD CD CD . C . . N 0 . . . 1 no no . . . . -5.571 . 6.986 . -18.070 . 2.016 0.777 -0.168 5 . c30356_6be9 DPR C C C C . C . . N 0 . . . 1 no no . . . . -2.999 . 8.379 . -19.774 . -1.360 0.086 0.006 6 . c30356_6be9 DPR O O O O . O . . N 0 . . . 1 no no . . . . -3.431 . 7.734 . -20.727 . -1.509 1.105 -0.626 7 . c30356_6be9 DPR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -2.393 -0.753 0.180 8 . c30356_6be9 DPR H H H HT1 . H . . N 0 . . . 1 no yes . . . . -3.576 . 6.736 . -18.147 . 0.293 1.784 0.370 9 . c30356_6be9 DPR HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.318 . 9.388 . -17.962 . -0.138 -0.667 1.595 10 . c30356_6be9 DPR HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . -5.517 . 10.078 . -18.276 . 0.639 -2.260 0.083 11 . c30356_6be9 DPR HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . -5.215 . 9.648 . -19.979 . 0.351 -1.194 -1.331 12 . c30356_6be9 DPR HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 no no . . . . -7.140 . 8.451 . -18.307 . 2.695 -1.137 0.653 13 . c30356_6be9 DPR HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 no no . . . . -6.527 . 7.765 . -19.843 . 2.747 -1.045 -1.140 14 . c30356_6be9 DPR HD2 HD2 HD2 HD1 . H . . N 0 . . . 1 no no . . . . -5.580 . 6.051 . -18.650 . 1.855 1.188 -1.165 15 . c30356_6be9 DPR HD3 HD3 HD3 HD2 . H . . N 0 . . . 1 no no . . . . -6.088 . 6.796 . -17.118 . 2.885 1.241 0.299 16 . c30356_6be9 DPR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . . . . . . . -3.237 -0.500 -0.219 17 . c30356_6be9 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 . c30356_6be9 DPR 2 . SING N CD no N 2 . c30356_6be9 DPR 3 . SING N H no N 3 . c30356_6be9 DPR 4 . SING CA CB no N 4 . c30356_6be9 DPR 5 . SING CA C no N 5 . c30356_6be9 DPR 6 . SING CA HA no N 6 . c30356_6be9 DPR 7 . SING CB CG no N 7 . c30356_6be9 DPR 8 . SING CB HB2 no N 8 . c30356_6be9 DPR 9 . SING CB HB3 no N 9 . c30356_6be9 DPR 10 . SING CG CD no N 10 . c30356_6be9 DPR 11 . SING CG HG2 no N 11 . c30356_6be9 DPR 12 . SING CG HG3 no N 12 . c30356_6be9 DPR 13 . SING CD HD2 no N 13 . c30356_6be9 DPR 14 . SING CD HD3 no N 14 . c30356_6be9 DPR 15 . DOUB C O no N 15 . c30356_6be9 DPR 16 . SING C OXT no N 16 . c30356_6be9 DPR 17 . SING OXT HXT no N 17 . c30356_6be9 DPR stop_ save_ save_chem_comp_DSG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DSG _Chem_comp.Entry_ID c30356_6be9 _Chem_comp.ID DSG _Chem_comp.Provenance PDB _Chem_comp.Name D-ASPARAGINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DSG _Chem_comp.PDB_code DSG _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 N _Chem_comp.Three_letter_code DSG _Chem_comp.Number_atoms_all 17 _Chem_comp.Number_atoms_nh 9 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H8 N2 O3' _Chem_comp.Formula_weight 132.118 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag yes _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1T5M _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(C(C(=O)O)N)C(=O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30356_6be9 DSG C([C@H](C(=O)O)N)C(=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30356_6be9 DSG DCXYFEDJOCDNAF-UWTATZPHSA-N InChIKey InChI 1.03 c30356_6be9 DSG InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1 InChI InChI 1.03 c30356_6be9 DSG N[C@H](CC(N)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30356_6be9 DSG N[CH](CC(N)=O)C(O)=O SMILES CACTVS 3.341 c30356_6be9 DSG O=C(N)CC(N)C(=O)O SMILES ACDLabs 10.04 c30356_6be9 DSG 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)-2,4-diamino-4-oxo-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30356_6be9 DSG D-asparagine 'SYSTEMATIC NAME' ACDLabs 10.04 c30356_6be9 DSG 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 . . . . 3.388 . -4.181 . 1.786 . 0.856 0.396 0.043 1 . c30356_6be9 DSG CA CA CA CA . C . . R 0 . . . 1 no no . . . . 3.907 . -2.888 . 1.256 . 1.491 1.310 -0.872 2 . c30356_6be9 DSG C C C C . C . . N 0 . . . 1 no no . . . . 3.208 . -2.284 . -0.013 . 0.564 2.493 -1.081 3 . c30356_6be9 DSG O O O O . O . . N 0 . . . 1 no no . . . . 2.968 . -1.076 . -0.019 . -0.146 2.993 -0.219 4 . c30356_6be9 DSG CB CB CB CB . C . . N 0 . . . 1 no no . . . . 4.024 . -1.899 . 2.455 . 2.883 1.733 -0.406 5 . c30356_6be9 DSG CG CG CG CG . C . . N 0 . . . 1 no no . . . . 2.746 . -1.720 . 3.308 . 3.596 2.635 -1.397 6 . c30356_6be9 DSG OD1 OD1 OD1 OD1 . O . . N 0 . . . 1 no no . . . . 2.803 . -1.420 . 4.499 . 3.951 3.776 -1.110 7 . c30356_6be9 DSG ND2 ND2 ND2 ND2 . N . . N 0 . . . 1 no no . . . . 1.573 . -1.908 . 2.722 . 3.816 2.047 -2.621 8 . c30356_6be9 DSG OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . 0.576 2.926 -2.369 9 . c30356_6be9 DSG H H H H . H . . N 0 . . . 1 no no . . . . 2.656 . -4.194 . 2.505 . -0.123 0.507 0.243 10 . c30356_6be9 DSG H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 3.391 . -4.875 . 1.038 . 1.431 -0.200 0.615 11 . c30356_6be9 DSG HA HA HA HA . H . . N 0 . . . 1 no no . . . . 4.954 . -3.086 . 0.961 . 1.566 0.762 -1.819 12 . c30356_6be9 DSG HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 4.840 . -2.209 . 3.133 . 3.516 0.849 -0.262 13 . c30356_6be9 DSG HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 4.353 . -0.904 . 2.090 . 2.823 2.240 0.564 14 . c30356_6be9 DSG HD21 HD21 HD21 1HD2 . H . . N 0 . . . 0 no no . . . . 1.582 . -2.082 . 1.711 . 4.289 2.551 -3.364 15 . c30356_6be9 DSG HD22 HD22 HD22 2HD2 . H . . N 0 . . . 0 no no . . . . 0.747 . -1.867 . 3.330 . 3.521 1.099 -2.832 16 . c30356_6be9 DSG HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -0.423 . 0.365 . -0.768 . -0.028 3.674 -2.563 17 . c30356_6be9 DSG 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 . c30356_6be9 DSG 2 . SING N H no N 2 . c30356_6be9 DSG 3 . SING N H2 no N 3 . c30356_6be9 DSG 4 . SING CA C no N 4 . c30356_6be9 DSG 5 . SING CA CB no N 5 . c30356_6be9 DSG 6 . SING CA HA no N 6 . c30356_6be9 DSG 7 . DOUB C O no N 7 . c30356_6be9 DSG 8 . SING C OXT no N 8 . c30356_6be9 DSG 9 . SING CB CG no N 9 . c30356_6be9 DSG 10 . SING CB HB2 no N 10 . c30356_6be9 DSG 11 . SING CB HB3 no N 11 . c30356_6be9 DSG 12 . DOUB CG OD1 no N 12 . c30356_6be9 DSG 13 . SING CG ND2 no N 13 . c30356_6be9 DSG 14 . SING ND2 HD21 no N 14 . c30356_6be9 DSG 15 . SING ND2 HD22 no N 15 . c30356_6be9 DSG 16 . SING OXT HXT no N 16 . c30356_6be9 DSG stop_ save_ save_chem_comp_DLY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DLY _Chem_comp.Entry_ID c30356_6be9 _Chem_comp.ID DLY _Chem_comp.Provenance PDB _Chem_comp.Name D-LYSINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DLY _Chem_comp.PDB_code DLY _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code DLY _Chem_comp.Number_atoms_all 24 _Chem_comp.Number_atoms_nh 10 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H14 N2 O2' _Chem_comp.Formula_weight 146.188 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1C4B _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(CCN)CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30356_6be9 DLY C(CCN)C[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30356_6be9 DLY InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1 InChI InChI 1.03 c30356_6be9 DLY KDXKERNSBIXSRK-RXMQYKEDSA-N InChIKey InChI 1.03 c30356_6be9 DLY NCCCC[C@@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30356_6be9 DLY NCCCC[CH](N)C(O)=O SMILES CACTVS 3.341 c30356_6be9 DLY O=C(O)C(N)CCCCN SMILES ACDLabs 10.04 c30356_6be9 DLY stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-2,6-diaminohexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30356_6be9 DLY D-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 c30356_6be9 DLY stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 1.958 . -1.185 . 0.419 . 1.770 0.232 -1.331 1 . c30356_6be9 DLY CA CA CA CA . C . . R 0 . . . 1 no no . . . . 2.544 . 0.113 . 0.712 . 0.326 0.498 -1.348 2 . c30356_6be9 DLY C C C C . C . . N 0 . . . 1 no no . . . . 1.902 . 1.172 . -0.185 . -0.271 -0.054 -2.616 3 . c30356_6be9 DLY O O O O . O . . N 0 . . . 1 no no . . . . 0.678 . 1.242 . -0.292 . 0.220 -1.024 -3.143 4 . c30356_6be9 DLY CB CB CB CB . C . . N 0 . . . 1 no no . . . . 2.435 . 0.424 . 2.206 . -0.329 -0.173 -0.140 5 . c30356_6be9 DLY CG CG CG CG . C . . N 0 . . . 1 no no . . . . 2.618 . -0.842 . 3.046 . 0.277 0.387 1.147 6 . c30356_6be9 DLY CD CD CD CD . C . . N 0 . . . 1 no no . . . . 1.297 . -1.601 . 3.190 . -0.378 -0.283 2.355 7 . c30356_6be9 DLY CE CE CE CE . C . . N 0 . . . 1 no no . . . . 1.544 . -3.098 . 3.389 . 0.228 0.277 3.642 8 . c30356_6be9 DLY NZ NZ NZ NZ . N . . N 0 . . . 1 no no . . . . 1.361 . -3.467 . 4.810 . -0.401 -0.367 4.802 9 . c30356_6be9 DLY OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 2.756 . 1.971 . -0.809 . -1.350 0.530 -3.160 10 . c30356_6be9 DLY H H H H . H . . N 0 . . . 1 no no . . . . 0.978 . -1.170 . 0.222 . 2.143 0.602 -2.193 11 . c30356_6be9 DLY H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 2.024 . -1.424 . -0.570 . 1.882 -0.769 -1.373 12 . c30356_6be9 DLY HA HA HA HA . H . . N 0 . . . 1 no no . . . . 3.606 . 0.053 . 0.471 . 0.153 1.573 -1.304 13 . c30356_6be9 DLY HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 1.462 . 0.868 . 2.419 . -0.157 -1.248 -0.184 14 . c30356_6be9 DLY HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 3.189 . 1.161 . 2.484 . -1.401 0.023 -0.152 15 . c30356_6be9 DLY HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 2.999 . -0.577 . 4.031 . 0.104 1.463 1.191 16 . c30356_6be9 DLY HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 3.363 . -1.486 . 2.579 . 1.349 0.191 1.159 17 . c30356_6be9 DLY HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 0.685 . -1.444 . 2.301 . -0.206 -1.359 2.311 18 . c30356_6be9 DLY HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 0.737 . -1.204 . 4.036 . -1.450 -0.087 2.343 19 . c30356_6be9 DLY HE2 HE2 HE2 1HE . H . . N 0 . . . 1 no no . . . . 2.554 . -3.352 . 3.067 . 0.055 1.352 3.686 20 . c30356_6be9 DLY HE3 HE3 HE3 2HE . H . . N 0 . . . 1 no no . . . . 0.857 . -3.671 . 2.766 . 1.300 0.080 3.655 21 . c30356_6be9 DLY HZ1 HZ1 HZ1 1HZ . H . . N 0 . . . 1 no no . . . . 0.413 . -3.297 . 5.129 . 0.027 0.031 5.624 22 . c30356_6be9 DLY HZ2 HZ2 HZ2 2HZ . H . . N 0 . . . 1 no no . . . . 1.976 . -2.941 . 5.422 . -1.367 -0.074 4.808 23 . c30356_6be9 DLY HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 2.357 . 2.628 . -1.366 . -1.734 0.175 -3.974 24 . c30356_6be9 DLY stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c30356_6be9 DLY 2 . SING N H no N 2 . c30356_6be9 DLY 3 . SING N H2 no N 3 . c30356_6be9 DLY 4 . SING CA C no N 4 . c30356_6be9 DLY 5 . SING CA CB no N 5 . c30356_6be9 DLY 6 . SING CA HA no N 6 . c30356_6be9 DLY 7 . DOUB C O no N 7 . c30356_6be9 DLY 8 . SING C OXT no N 8 . c30356_6be9 DLY 9 . SING CB CG no N 9 . c30356_6be9 DLY 10 . SING CB HB2 no N 10 . c30356_6be9 DLY 11 . SING CB HB3 no N 11 . c30356_6be9 DLY 12 . SING CG CD no N 12 . c30356_6be9 DLY 13 . SING CG HG2 no N 13 . c30356_6be9 DLY 14 . SING CG HG3 no N 14 . c30356_6be9 DLY 15 . SING CD CE no N 15 . c30356_6be9 DLY 16 . SING CD HD2 no N 16 . c30356_6be9 DLY 17 . SING CD HD3 no N 17 . c30356_6be9 DLY 18 . SING CE NZ no N 18 . c30356_6be9 DLY 19 . SING CE HE2 no N 19 . c30356_6be9 DLY 20 . SING CE HE3 no N 20 . c30356_6be9 DLY 21 . SING NZ HZ1 no N 21 . c30356_6be9 DLY 22 . SING NZ HZ2 no N 22 . c30356_6be9 DLY 23 . SING OXT HXT no N 23 . c30356_6be9 DLY stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30356_6be9 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '5 mg/mL design7.1, 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 design7.1 'natural abundance' . . 1 $entity_1 . . 5 . . mg/mL . . . . c30356_6be9 1 2 glycerol [U-2H] . . . . . . 5 . . '% v/v' . . . . c30356_6be9 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 c30356_6be9 _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' c30356_6be9 1 pH 5.5 . pH c30356_6be9 1 pressure 1 . atm c30356_6be9 1 temperature 278 . K c30356_6be9 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30356_6be9 _Software.ID 1 _Software.Name gromacs _Software.Version 2016.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Abraham . . c30356_6be9 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30356_6be9 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30356_6be9 _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' . . c30356_6be9 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' c30356_6be9 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30356_6be9 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c30356_6be9 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c30356_6be9 3 'peak picking' c30356_6be9 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 c30356_6be9 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c30356_6be9 _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 . . . c30356_6be9 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 c30356_6be9 _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 . . . . . . . . . . . . . . . . c30356_6be9 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30356_6be9 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30356_6be9 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 c30356_6be9 _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 . . . . . c30356_6be9 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c30356_6be9 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . c30356_6be9 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 c30356_6be9 _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' . . . c30356_6be9 1 2 '2D 1H-1H NOESY' . . . c30356_6be9 1 3 '2D 1H-15N HSQC' . . . c30356_6be9 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 THR H H 1 8.372 0.00 . . . . . . . A 1 THR H1 . c30356_6be9 1 2 . 1 1 1 1 THR HA H 1 4.457 0.00 . . . . . . . A 1 THR HA . c30356_6be9 1 3 . 1 1 1 1 THR HB H 1 4.247 0.00 . . . . . . . A 1 THR HB . c30356_6be9 1 4 . 1 1 1 1 THR HG21 H 1 1.117 0.00 . . . . . . . A 1 THR HG21 . c30356_6be9 1 5 . 1 1 1 1 THR HG22 H 1 1.117 0.00 . . . . . . . A 1 THR HG22 . c30356_6be9 1 6 . 1 1 1 1 THR HG23 H 1 1.117 0.00 . . . . . . . A 1 THR HG23 . c30356_6be9 1 7 . 1 1 1 1 THR N N 15 115.100 0.00 . . . . . . . A 1 THR N . c30356_6be9 1 8 . 1 1 2 2 DLY H H 1 8.258 0.00 . . . . . . . A 2 DLY H . c30356_6be9 1 9 . 1 1 2 2 DLY N N 15 121.800 0.00 . . . . . . . A 2 DLY N . c30356_6be9 1 10 . 1 1 2 2 DLY HA H 1 4.442 0.00 . . . . . . . A 2 DLY HA . c30356_6be9 1 11 . 1 1 2 2 DLY HB2 H 1 1.668 0.00 . . . . . . . A 2 DLY HB2 . c30356_6be9 1 12 . 1 1 2 2 DLY HB3 H 1 1.761 0.00 . . . . . . . A 2 DLY HB3 . c30356_6be9 1 13 . 1 1 2 2 DLY HD3 H 1 1.559 0.00 . . . . . . . A 2 DLY HD3 . c30356_6be9 1 14 . 1 1 2 2 DLY HE3 H 1 2.864 0.00 . . . . . . . A 2 DLY HE3 . c30356_6be9 1 15 . 1 1 2 2 DLY HG2 H 1 1.226 0.00 . . . . . . . A 2 DLY HG2 . c30356_6be9 1 16 . 1 1 2 2 DLY HG3 H 1 1.298 0.00 . . . . . . . A 2 DLY HG3 . c30356_6be9 1 17 . 1 1 3 3 ASN H H 1 8.348 0.00 . . . . . . . A 3 ASN H . c30356_6be9 1 18 . 1 1 3 3 ASN HA H 1 4.242 0.01 . . . . . . . A 3 ASN HA . c30356_6be9 1 19 . 1 1 3 3 ASN HB2 H 1 2.796 0.00 . . . . . . . A 3 ASN HB2 . c30356_6be9 1 20 . 1 1 3 3 ASN HB3 H 1 3.043 0.00 . . . . . . . A 3 ASN HB3 . c30356_6be9 1 21 . 1 1 3 3 ASN HD21 H 1 6.915 0.00 . . . . . . . A 3 ASN HD21 . c30356_6be9 1 22 . 1 1 3 3 ASN HD22 H 1 7.702 0.00 . . . . . . . A 3 ASN HD22 . c30356_6be9 1 23 . 1 1 3 3 ASN N N 15 118.100 0.00 . . . . . . . A 3 ASN N . c30356_6be9 1 24 . 1 1 3 3 ASN ND2 N 15 114.500 0.00 . . . . . . . A 3 ASN ND2 . c30356_6be9 1 25 . 1 1 4 4 ASP H H 1 8.851 0.00 . . . . . . . A 4 ASP H . c30356_6be9 1 26 . 1 1 4 4 ASP HA H 1 4.386 0.00 . . . . . . . A 4 ASP HA . c30356_6be9 1 27 . 1 1 4 4 ASP HB2 H 1 2.872 0.00 . . . . . . . A 4 ASP HB2 . c30356_6be9 1 28 . 1 1 4 4 ASP HB3 H 1 2.946 0.00 . . . . . . . A 4 ASP HB3 . c30356_6be9 1 29 . 1 1 4 4 ASP N N 15 118.100 0.00 . . . . . . . A 4 ASP N . c30356_6be9 1 30 . 1 1 5 5 THR H H 1 8.244 0.00 . . . . . . . A 5 THR H . c30356_6be9 1 31 . 1 1 5 5 THR HA H 1 4.367 0.00 . . . . . . . A 5 THR HA . c30356_6be9 1 32 . 1 1 5 5 THR HB H 1 4.320 0.00 . . . . . . . A 5 THR HB . c30356_6be9 1 33 . 1 1 5 5 THR HG21 H 1 1.071 0.00 . . . . . . . A 5 THR HG21 . c30356_6be9 1 34 . 1 1 5 5 THR HG22 H 1 1.071 0.00 . . . . . . . A 5 THR HG22 . c30356_6be9 1 35 . 1 1 5 5 THR HG23 H 1 1.071 0.00 . . . . . . . A 5 THR HG23 . c30356_6be9 1 36 . 1 1 5 5 THR N N 15 109.800 0.00 . . . . . . . A 5 THR N . c30356_6be9 1 37 . 1 1 6 6 DSG H H 1 7.684 0.00 . . . . . . . A 6 DSG H . c30356_6be9 1 38 . 1 1 6 6 DSG N N 15 123.100 0.00 . . . . . . . A 6 DSG N . c30356_6be9 1 39 . 1 1 6 6 DSG HA H 1 5.172 0.00 . . . . . . . A 6 DSG HA . c30356_6be9 1 40 . 1 1 6 6 DSG HB2 H 1 2.731 0.00 . . . . . . . A 6 DSG HB2 . c30356_6be9 1 41 . 1 1 6 6 DSG HB3 H 1 2.788 0.00 . . . . . . . A 6 DSG HB3 . c30356_6be9 1 42 . 1 1 6 6 DSG HD21 H 1 7.021 0.00 . . . . . . . A 6 DSG HD21 . c30356_6be9 1 43 . 1 1 6 6 DSG HD22 H 1 7.596 0.00 . . . . . . . A 6 DSG HD22 . c30356_6be9 1 44 . 1 1 6 6 DSG ND2 N 15 113.700 0.00 . . . . . . . A 6 DSG ND2 . c30356_6be9 1 45 . 1 1 7 7 DPR HA H 1 4.237 0.00 . . . . . . . A 7 DPR HA . c30356_6be9 1 46 . 1 1 7 7 DPR HB2 H 1 2.237 0.00 . . . . . . . A 7 DPR HB2 . c30356_6be9 1 47 . 1 1 7 7 DPR HB3 H 1 1.860 0.01 . . . . . . . A 7 DPR HB3 . c30356_6be9 1 48 . 1 1 7 7 DPR HD2 H 1 3.726 0.00 . . . . . . . A 7 DPR HD2 . c30356_6be9 1 49 . 1 1 7 7 DPR HD3 H 1 3.986 0.00 . . . . . . . A 7 DPR HD3 . c30356_6be9 1 50 . 1 1 7 7 DPR HG2 H 1 2.058 0.00 . . . . . . . A 7 DPR HG2 . c30356_6be9 1 51 . 1 1 7 7 DPR HG3 H 1 1.940 0.00 . . . . . . . A 7 DPR HG3 . c30356_6be9 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 c30356_6be9 _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 c30356_6be9 _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 . . . c30356_6be9 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 . . . . c30356_6be9 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 THR C C 30.930 45.710 5.350 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 1 . 2 . 1 1 1 THR CA C 30.570 47.040 4.700 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 1 . 3 . 1 1 1 THR CB C 31.070 48.220 5.540 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 1 . 4 . 1 1 1 THR CG2 C 30.920 49.380 4.570 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 1 . 5 . 1 1 1 THR H1 H 28.560 47.500 5.140 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 1 . 6 . 1 1 1 THR HA H 31.080 47.090 3.740 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 1 . 7 . 1 1 1 THR HB H 32.110 48.160 5.860 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 1 . 8 . 1 1 1 THR HG1 H 30.170 47.880 7.250 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 1 . 9 . 1 1 1 THR HG21 H 29.850 49.540 4.440 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 1 . 10 . 1 1 1 THR HG22 H 31.450 49.190 3.630 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 1 . 11 . 1 1 1 THR HG23 H 31.320 50.340 4.920 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 1 . 12 . 1 1 1 THR N N 29.150 47.100 4.420 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 1 . 13 . 1 1 1 THR O O 31.730 45.750 6.280 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 1 . 14 . 1 1 1 THR OG1 O 30.260 48.600 6.630 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 1 . 15 . 1 1 2 . C C 29.670 42.310 4.870 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 1 . 16 . 1 1 2 . CA C 30.690 43.270 5.480 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 1 . 17 . 1 1 2 . CB C 32.050 42.800 4.980 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 1 . 18 . 1 1 2 . CD C 34.420 42.190 5.600 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 1 . 19 . 1 1 2 . CE C 35.590 42.550 6.510 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 1 . 20 . 1 1 2 . CG C 33.120 42.820 6.070 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 1 . 21 . 1 1 2 . H H 29.690 44.630 4.200 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 1 . 22 . 1 1 2 . HA H 30.540 43.260 6.560 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 1 . 23 . 1 1 2 . HB2 H 32.290 43.380 4.090 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 1 . 24 . 1 1 2 . HB3 H 31.890 41.790 4.590 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 1 . 25 . 1 1 2 . HD2 H 34.660 42.730 4.680 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 1 . 26 . 1 1 2 . HD3 H 34.330 41.100 5.510 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 1 . 27 . 1 1 2 . HE2 H 35.320 42.430 7.560 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 1 . 28 . 1 1 2 . HE3 H 35.730 43.620 6.380 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 1 . 29 . 1 1 2 . HG2 H 32.780 42.410 7.020 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 1 . 30 . 1 1 2 . HG3 H 33.210 43.880 6.300 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 1 . 31 . 1 1 2 . HZ1 H 37.090 42.040 5.170 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 1 . 32 . 1 1 2 . HZ2 H 36.690 40.860 6.130 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 1 . 33 . 1 1 2 . HZ3 H 37.570 42.060 6.780 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 1 . 34 . 1 1 2 . N N 30.400 44.570 4.920 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 1 . 35 . 1 1 2 . NZ N 36.830 41.860 6.130 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 1 . 36 . 1 1 2 . O O 29.450 42.230 3.670 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 1 . 37 . 1 1 3 ASN C C 26.960 40.540 6.150 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 1 . 38 . 1 1 3 ASN CA C 28.290 40.300 5.450 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 1 . 39 . 1 1 3 ASN CB C 29.000 39.030 5.930 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 1 . 40 . 1 1 3 ASN CG C 30.230 38.770 5.080 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 1 . 41 . 1 1 3 ASN H H 29.380 41.630 6.700 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 1 . 42 . 1 1 3 ASN HA H 28.160 40.260 4.370 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 1 . 43 . 1 1 3 ASN HB2 H 29.310 39.120 6.970 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 1 . 44 . 1 1 3 ASN HB3 H 28.300 38.200 5.940 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 1 . 45 . 1 1 3 ASN HD21 H 31.610 39.280 6.470 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 1 . 46 . 1 1 3 ASN HD22 H 32.180 38.670 4.860 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 1 . 47 . 1 1 3 ASN N N 29.170 41.420 5.730 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 1 . 48 . 1 1 3 ASN ND2 N 31.480 38.940 5.530 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 1 . 49 . 1 1 3 ASN O O 26.030 40.520 5.350 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 1 . 50 . 1 1 3 ASN OD1 O 30.110 38.500 3.890 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 1 . 51 . 1 1 4 ASP C C 24.940 42.460 7.390 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 1 . 52 . 1 1 4 ASP CA C 25.620 41.280 8.080 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 1 . 53 . 1 1 4 ASP CB C 25.860 41.640 9.550 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 1 . 54 . 1 1 4 ASP CG C 24.600 41.950 10.340 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 1 . 55 . 1 1 4 ASP H H 27.620 40.630 8.060 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 1 . 56 . 1 1 4 ASP HA H 24.910 40.460 8.180 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 1 . 57 . 1 1 4 ASP HB2 H 26.270 40.740 10.020 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 1 . 58 . 1 1 4 ASP HB3 H 26.480 42.530 9.650 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 1 . 59 . 1 1 4 ASP N N 26.830 40.800 7.450 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 1 . 60 . 1 1 4 ASP O O 25.460 43.570 7.360 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 1 . 61 . 1 1 4 ASP OD1 O 24.710 42.490 11.460 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 1 . 62 . 1 1 4 ASP OD2 O 23.470 41.730 9.850 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 1 . 63 . 1 1 5 THR C C 23.790 43.900 5.010 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 1 . 64 . 1 1 5 THR CA C 22.990 43.180 6.090 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 1 . 65 . 1 1 5 THR CB C 22.230 44.050 7.080 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 1 . 66 . 1 1 5 THR CG2 C 21.080 44.840 6.450 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 1 . 67 . 1 1 5 THR H H 23.310 41.300 6.930 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 1 . 68 . 1 1 5 THR HA H 22.230 42.650 5.530 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 1 . 69 . 1 1 5 THR HB H 22.910 44.660 7.680 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 1 . 70 . 1 1 5 THR HG1 H 22.220 42.670 8.490 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 1 . 71 . 1 1 5 THR HG21 H 20.400 44.130 5.970 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 1 . 72 . 1 1 5 THR HG22 H 21.280 45.700 5.810 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 1 . 73 . 1 1 5 THR HG23 H 20.440 45.310 7.200 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 1 . 74 . 1 1 5 THR N N 23.780 42.190 6.790 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 1 . 75 . 1 1 5 THR O O 23.720 45.130 4.890 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 1 . 76 . 1 1 5 THR OG1 O 21.590 43.110 7.910 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 1 . 77 . 1 1 6 . C C 26.330 44.700 3.470 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 1 . 78 . 1 1 6 . CA C 25.330 43.620 3.100 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 1 . 79 . 1 1 6 . CB C 26.130 42.430 2.580 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 1 . 80 . 1 1 6 . CG C 25.340 41.250 2.030 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 1 . 81 . 1 1 6 . H H 24.440 42.150 4.410 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 1 . 82 . 1 1 6 . HA H 24.680 43.830 2.250 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 1 . 83 . 1 1 6 . HB2 H 26.770 42.030 3.360 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 1 . 84 . 1 1 6 . HB3 H 26.880 42.740 1.860 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 1 . 85 . 1 1 6 . HD21 H 27.010 40.190 1.750 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 1 . 86 . 1 1 6 . HD22 H 25.550 39.220 1.690 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 1 . 87 . 1 1 6 . N N 24.520 43.140 4.200 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 1 . 88 . 1 1 6 . ND2 N 26.010 40.110 1.840 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 1 . 89 . 1 1 6 . O O 27.150 44.550 4.380 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 1 . 90 . 1 1 6 . OD1 O 24.120 41.150 1.950 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 1 . 91 . 1 1 7 DPR C C 28.570 46.840 3.250 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 1 . 92 . 1 1 7 DPR CA C 27.060 47.030 3.190 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 1 . 93 . 1 1 7 DPR CB C 26.600 48.150 2.260 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 1 . 94 . 1 1 7 DPR CD C 25.760 46.030 1.460 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 1 . 95 . 1 1 7 DPR CG C 26.240 47.390 0.980 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 1 . 96 . 1 1 7 DPR HA H 26.710 47.260 4.200 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 1 . 97 . 1 1 7 DPR HB2 H 27.230 49.010 2.070 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 1 . 98 . 1 1 7 DPR HB3 H 25.650 48.510 2.660 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 1 . 99 . 1 1 7 DPR HD2 H 25.970 45.230 0.760 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 1 . 100 . 1 1 7 DPR HD3 H 24.690 46.130 1.660 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 1 . 101 . 1 1 7 DPR HG2 H 27.220 47.250 0.520 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 1 . 102 . 1 1 7 DPR HG3 H 25.560 47.950 0.340 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 1 . 103 . 1 1 7 DPR N N 26.420 45.810 2.740 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 1 . 104 . 1 1 7 DPR O O 29.240 46.430 2.310 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 2 . 105 . 1 1 1 THR C C 30.855 45.676 5.621 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 2 . 106 . 1 1 1 THR CA C 30.489 46.966 4.912 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 2 . 107 . 1 1 1 THR CB C 30.976 48.194 5.666 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 2 . 108 . 1 1 1 THR CG2 C 31.124 49.438 4.797 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 2 . 109 . 1 1 1 THR H1 H 28.392 47.401 5.273 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 2 . 110 . 1 1 1 THR HA H 31.030 46.938 3.974 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 2 . 111 . 1 1 1 THR HB H 31.896 48.043 6.239 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 2 . 112 . 1 1 1 THR HG1 H 30.418 48.514 7.460 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 2 . 113 . 1 1 1 THR HG21 H 31.888 49.220 4.064 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 2 . 114 . 1 1 1 THR HG22 H 31.356 50.229 5.506 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 2 . 115 . 1 1 1 THR HG23 H 30.168 49.524 4.283 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 2 . 116 . 1 1 1 THR N N 29.068 47.034 4.619 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 2 . 117 . 1 1 1 THR O O 31.437 45.625 6.705 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 2 . 118 . 1 1 1 THR OG1 O 29.998 48.596 6.600 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 2 . 119 . 1 1 2 . C C 29.626 42.352 4.819 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 2 . 120 . 1 1 2 . CA C 30.794 43.206 5.294 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 2 . 121 . 1 1 2 . CB C 32.119 42.724 4.689 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 2 . 122 . 1 1 2 . CD C 34.662 42.858 4.633 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 2 . 123 . 1 1 2 . CE C 35.848 43.410 5.416 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 2 . 124 . 1 1 2 . CG C 33.365 43.479 5.144 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 2 . 125 . 1 1 2 . H H 29.880 44.628 4.144 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 2 . 126 . 1 1 2 . HA H 30.782 43.102 6.371 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 2 . 127 . 1 1 2 . HB2 H 31.992 42.815 3.612 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 2 . 128 . 1 1 2 . HB3 H 32.249 41.681 4.948 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 2 . 129 . 1 1 2 . HD2 H 34.732 43.014 3.554 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 2 . 130 . 1 1 2 . HD3 H 34.703 41.789 4.833 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 2 . 131 . 1 1 2 . HE2 H 35.579 43.295 6.471 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 2 . 132 . 1 1 2 . HE3 H 36.000 44.447 5.123 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 2 . 133 . 1 1 2 . HG2 H 33.278 43.483 6.240 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 2 . 134 . 1 1 2 . HG3 H 33.323 44.543 4.899 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 2 . 135 . 1 1 2 . HZ1 H 37.234 42.743 3.995 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 2 . 136 . 1 1 2 . HZ2 H 37.084 41.657 5.151 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 2 . 137 . 1 1 2 . HZ3 H 37.814 42.878 5.578 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 2 . 138 . 1 1 2 . N N 30.505 44.576 4.930 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 2 . 139 . 1 1 2 . NZ N 37.028 42.650 4.988 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 2 . 140 . 1 1 2 . O O 29.147 42.532 3.704 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 2 . 141 . 1 1 3 ASN C C 26.909 40.687 6.118 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 2 . 142 . 1 1 3 ASN CA C 28.215 40.370 5.399 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 2 . 143 . 1 1 3 ASN CB C 28.713 38.971 5.750 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 2 . 144 . 1 1 3 ASN CG C 29.874 38.609 4.831 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 2 . 145 . 1 1 3 ASN H H 29.847 41.324 6.445 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 2 . 146 . 1 1 3 ASN HA H 28.048 40.284 4.330 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 2 . 147 . 1 1 3 ASN HB2 H 28.991 38.948 6.803 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 2 . 148 . 1 1 3 ASN HB3 H 27.972 38.171 5.618 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 2 . 149 . 1 1 3 ASN HD21 H 31.308 38.689 6.291 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 2 . 150 . 1 1 3 ASN HD22 H 31.864 38.475 4.636 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 2 . 151 . 1 1 3 ASN N N 29.230 41.382 5.645 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 2 . 152 . 1 1 3 ASN ND2 N 31.129 38.650 5.298 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 2 . 153 . 1 1 3 ASN O O 25.855 40.423 5.532 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 2 . 154 . 1 1 3 ASN OD1 O 29.661 38.567 3.631 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 2 . 155 . 1 1 4 ASP C C 24.931 42.601 7.403 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 2 . 156 . 1 1 4 ASP CA C 25.731 41.561 8.173 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 2 . 157 . 1 1 4 ASP CB C 26.147 41.993 9.573 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 2 . 158 . 1 1 4 ASP CG C 24.992 42.464 10.429 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 2 . 159 . 1 1 4 ASP H H 27.819 41.297 7.692 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 2 . 160 . 1 1 4 ASP HA H 25.025 40.741 8.322 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 2 . 161 . 1 1 4 ASP HB2 H 26.613 41.134 10.070 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 2 . 162 . 1 1 4 ASP HB3 H 26.869 42.807 9.583 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 2 . 163 . 1 1 4 ASP N N 26.868 41.199 7.353 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 2 . 164 . 1 1 4 ASP O O 25.330 43.749 7.285 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 2 . 165 . 1 1 4 ASP OD1 O 25.262 43.297 11.322 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 2 . 166 . 1 1 4 ASP OD2 O 23.834 42.024 10.250 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 2 . 167 . 1 1 5 THR C C 23.488 43.610 4.829 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 2 . 168 . 1 1 5 THR CA C 22.831 42.917 6.016 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 2 . 169 . 1 1 5 THR CB C 21.818 43.707 6.844 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 2 . 170 . 1 1 5 THR CG2 C 20.532 44.145 6.151 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 2 . 171 . 1 1 5 THR H H 23.754 41.173 6.801 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 2 . 172 . 1 1 5 THR HA H 22.259 42.197 5.430 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 2 . 173 . 1 1 5 THR HB H 22.292 44.541 7.350 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 2 . 174 . 1 1 5 THR HG1 H 21.636 43.274 8.695 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 2 . 175 . 1 1 5 THR HG21 H 20.447 43.581 5.218 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 2 . 176 . 1 1 5 THR HG22 H 20.712 45.183 5.866 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 2 . 177 . 1 1 5 THR HG23 H 19.656 44.113 6.791 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 2 . 178 . 1 1 5 THR N N 23.823 42.180 6.778 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 2 . 179 . 1 1 5 THR O O 22.950 44.611 4.375 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 2 . 180 . 1 1 5 THR OG1 O 21.400 42.837 7.874 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 2 . 181 . 1 1 6 . C C 26.143 44.859 3.637 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 2 . 182 . 1 1 6 . CA C 25.309 43.675 3.184 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 2 . 183 . 1 1 6 . CB C 26.244 42.614 2.612 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 2 . 184 . 1 1 6 . CG C 25.428 41.521 1.922 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 2 . 185 . 1 1 6 . H H 24.928 42.241 4.721 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 2 . 186 . 1 1 6 . HA H 24.598 43.969 2.419 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 2 . 187 . 1 1 6 . HB2 H 26.948 42.091 3.257 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 2 . 188 . 1 1 6 . HB3 H 26.883 43.031 1.829 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 2 . 189 . 1 1 6 . HD21 H 25.513 40.184 3.507 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 2 . 190 . 1 1 6 . HD22 H 24.518 39.780 2.108 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 2 . 191 . 1 1 6 . N N 24.567 43.067 4.272 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 2 . 192 . 1 1 6 . ND2 N 25.175 40.387 2.581 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 2 . 193 . 1 1 6 . O O 26.648 44.909 4.763 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 2 . 194 . 1 1 6 . OD1 O 24.951 41.634 0.802 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 2 . 195 . 1 1 7 DPR C C 28.628 46.647 3.421 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 2 . 196 . 1 1 7 DPR CA C 27.183 47.024 3.112 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 2 . 197 . 1 1 7 DPR CB C 27.128 47.838 1.817 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 2 . 198 . 1 1 7 DPR CD C 25.502 46.199 1.663 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 2 . 199 . 1 1 7 DPR CG C 25.722 47.660 1.270 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 2 . 200 . 1 1 7 DPR HA H 26.857 47.657 3.935 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 2 . 201 . 1 1 7 DPR HB2 H 27.932 47.505 1.148 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 2 . 202 . 1 1 7 DPR HB3 H 27.403 48.858 2.096 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 2 . 203 . 1 1 7 DPR HD2 H 25.903 45.611 0.829 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 2 . 204 . 1 1 7 DPR HD3 H 24.444 46.002 1.826 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 2 . 205 . 1 1 7 DPR HG2 H 25.740 47.716 0.177 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 2 . 206 . 1 1 7 DPR HG3 H 24.919 48.218 1.763 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 2 . 207 . 1 1 7 DPR N N 26.257 45.945 2.864 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 2 . 208 . 1 1 7 DPR O O 29.276 46.038 2.567 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 3 . 209 . 1 1 1 THR C C 30.969 45.648 5.499 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 3 . 210 . 1 1 1 THR CA C 30.523 46.973 4.919 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 3 . 211 . 1 1 1 THR CB C 30.729 48.225 5.762 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 3 . 212 . 1 1 1 THR CG2 C 30.822 49.466 4.880 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 3 . 213 . 1 1 1 THR H1 H 28.454 47.385 5.099 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 3 . 214 . 1 1 1 THR HA H 31.220 47.060 4.084 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 3 . 215 . 1 1 1 THR HB H 31.668 48.085 6.308 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 3 . 216 . 1 1 1 THR HG1 H 29.858 47.961 7.523 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 3 . 217 . 1 1 1 THR HG21 H 30.817 50.264 5.623 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 3 . 218 . 1 1 1 THR HG22 H 29.958 49.584 4.224 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 3 . 219 . 1 1 1 THR HG23 H 31.771 49.560 4.365 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 3 . 220 . 1 1 1 THR N N 29.137 46.967 4.477 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 3 . 221 . 1 1 1 THR O O 31.444 45.518 6.628 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 3 . 222 . 1 1 1 THR OG1 O 29.725 48.455 6.716 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 3 . 223 . 1 1 2 . C C 29.608 42.341 4.929 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 3 . 224 . 1 1 2 . CA C 30.819 43.171 5.322 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 3 . 225 . 1 1 2 . CB C 32.062 42.386 4.937 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 3 . 226 . 1 1 2 . CD C 34.270 41.436 5.420 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 3 . 227 . 1 1 2 . CE C 35.536 41.375 6.270 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 3 . 228 . 1 1 2 . CG C 33.237 42.448 5.909 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 3 . 229 . 1 1 2 . H H 30.256 44.662 3.924 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 3 . 230 . 1 1 2 . HA H 30.853 43.234 6.417 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 3 . 231 . 1 1 2 . HB2 H 32.328 42.619 3.902 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 3 . 232 . 1 1 2 . HB3 H 31.737 41.351 4.961 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 3 . 233 . 1 1 2 . HD2 H 34.446 41.724 4.386 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 3 . 234 . 1 1 2 . HD3 H 33.784 40.453 5.423 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 3 . 235 . 1 1 2 . HE2 H 35.293 41.318 7.328 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 3 . 236 . 1 1 2 . HE3 H 36.104 42.295 6.157 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 3 . 237 . 1 1 2 . HG2 H 32.939 42.169 6.919 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 3 . 238 . 1 1 2 . HG3 H 33.589 43.478 5.870 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 3 . 239 . 1 1 2 . HZ1 H 36.727 40.284 4.878 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 3 . 240 . 1 1 2 . HZ2 H 35.770 39.442 5.657 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 3 . 241 . 1 1 2 . HZ3 H 37.108 40.087 6.482 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 3 . 242 . 1 1 2 . N N 30.716 44.526 4.816 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 3 . 243 . 1 1 2 . NZ N 36.362 40.244 5.811 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 3 . 244 . 1 1 2 . O O 29.150 42.488 3.799 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 3 . 245 . 1 1 3 ASN C C 27.030 40.594 6.148 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 3 . 246 . 1 1 3 ASN CA C 28.371 40.324 5.483 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 3 . 247 . 1 1 3 ASN CB C 28.958 38.983 5.909 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 3 . 248 . 1 1 3 ASN CG C 30.317 38.641 5.331 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 3 . 249 . 1 1 3 ASN H H 29.720 41.473 6.725 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 3 . 250 . 1 1 3 ASN HA H 28.162 40.363 4.420 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 3 . 251 . 1 1 3 ASN HB2 H 29.069 38.929 6.991 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 3 . 252 . 1 1 3 ASN HB3 H 28.344 38.131 5.599 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 3 . 253 . 1 1 3 ASN HD21 H 29.693 38.593 3.380 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 3 . 254 . 1 1 3 ASN HD22 H 31.398 38.321 3.692 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 3 . 255 . 1 1 3 ASN N N 29.267 41.413 5.821 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 3 . 256 . 1 1 3 ASN ND2 N 30.487 38.638 4.007 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 3 . 257 . 1 1 3 ASN O O 25.992 40.268 5.583 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 3 . 258 . 1 1 3 ASN OD1 O 31.281 38.551 6.093 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 3 . 259 . 1 1 4 ASP C C 24.843 42.543 7.271 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 3 . 260 . 1 1 4 ASP CA C 25.721 41.532 7.988 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 3 . 261 . 1 1 4 ASP CB C 26.194 42.107 9.327 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 3 . 262 . 1 1 4 ASP CG C 25.082 42.695 10.183 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 3 . 263 . 1 1 4 ASP H H 27.818 41.713 7.624 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 3 . 264 . 1 1 4 ASP HA H 25.173 40.630 8.251 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 3 . 265 . 1 1 4 ASP HB2 H 26.766 41.360 9.886 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 3 . 266 . 1 1 4 ASP HB3 H 26.886 42.928 9.151 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 3 . 267 . 1 1 4 ASP N N 26.972 41.265 7.306 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 3 . 268 . 1 1 4 ASP O O 25.171 43.725 7.183 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 3 . 269 . 1 1 4 ASP OD1 O 25.389 43.497 11.093 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 3 . 270 . 1 1 4 ASP OD2 O 23.897 42.459 9.864 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 3 . 271 . 1 1 5 THR C C 23.307 43.580 4.719 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 3 . 272 . 1 1 5 THR CA C 22.786 43.080 6.058 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 3 . 273 . 1 1 5 THR CB C 22.303 44.175 7.008 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 3 . 274 . 1 1 5 THR CG2 C 21.051 44.887 6.511 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 3 . 275 . 1 1 5 THR H H 23.509 41.182 6.578 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 3 . 276 . 1 1 5 THR HA H 21.936 42.436 5.822 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 3 . 277 . 1 1 5 THR HB H 23.088 44.919 7.190 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 3 . 278 . 1 1 5 THR HG1 H 22.845 43.131 8.451 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 3 . 279 . 1 1 5 THR HG21 H 20.195 44.260 6.273 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 3 . 280 . 1 1 5 THR HG22 H 21.261 45.533 5.654 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 3 . 281 . 1 1 5 THR HG23 H 20.693 45.610 7.245 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 3 . 282 . 1 1 5 THR N N 23.707 42.156 6.697 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 3 . 283 . 1 1 5 THR O O 22.703 44.409 4.046 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 3 . 284 . 1 1 5 THR OG1 O 21.991 43.479 8.188 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 3 . 285 . 1 1 6 . C C 26.116 44.826 3.589 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 3 . 286 . 1 1 6 . CA C 25.250 43.638 3.204 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 3 . 287 . 1 1 6 . CB C 26.063 42.457 2.669 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 3 . 288 . 1 1 6 . CG C 25.190 41.322 2.176 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 3 . 289 . 1 1 6 . H H 24.813 42.289 4.838 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 3 . 290 . 1 1 6 . HA H 24.502 43.955 2.476 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 3 . 291 . 1 1 6 . HB2 H 26.765 42.043 3.387 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 3 . 292 . 1 1 6 . HB3 H 26.658 42.821 1.828 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 3 . 293 . 1 1 6 . HD21 H 25.134 40.198 3.907 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 3 . 294 . 1 1 6 . HD22 H 24.096 39.681 2.611 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 3 . 295 . 1 1 6 . N N 24.495 43.112 4.327 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 3 . 296 . 1 1 6 . ND2 N 24.788 40.319 2.967 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 3 . 297 . 1 1 6 . O O 26.693 44.771 4.677 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 3 . 298 . 1 1 6 . OD1 O 24.807 41.369 1.006 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 3 . 299 . 1 1 7 DPR C C 28.537 46.634 3.345 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 3 . 300 . 1 1 7 DPR CA C 27.080 47.002 3.116 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 3 . 301 . 1 1 7 DPR CB C 26.985 48.083 2.040 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 3 . 302 . 1 1 7 DPR CD C 25.689 46.037 1.438 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 3 . 303 . 1 1 7 DPR CG C 26.616 47.124 0.911 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 3 . 304 . 1 1 7 DPR HA H 26.630 47.439 4.009 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 3 . 305 . 1 1 7 DPR HB2 H 27.935 48.587 1.851 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 3 . 306 . 1 1 7 DPR HB3 H 26.192 48.808 2.221 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 3 . 307 . 1 1 7 DPR HD2 H 25.760 45.196 0.759 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 3 . 308 . 1 1 7 DPR HD3 H 24.702 46.509 1.441 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 3 . 309 . 1 1 7 DPR HG2 H 27.510 46.679 0.485 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 3 . 310 . 1 1 7 DPR HG3 H 26.192 47.724 0.096 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 3 . 311 . 1 1 7 DPR N N 26.260 45.863 2.758 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 3 . 312 . 1 1 7 DPR O O 29.201 46.090 2.460 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 4 . 313 . 1 1 1 THR C C 31.091 45.777 5.446 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 4 . 314 . 1 1 1 THR CA C 30.647 47.060 4.762 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 4 . 315 . 1 1 1 THR CB C 31.167 48.186 5.654 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 4 . 316 . 1 1 1 THR CG2 C 31.106 49.548 4.950 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 4 . 317 . 1 1 1 THR H1 H 28.734 47.836 5.065 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 4 . 318 . 1 1 1 THR HA H 31.240 47.030 3.853 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 4 . 319 . 1 1 1 THR HB H 32.209 48.010 5.942 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 4 . 320 . 1 1 1 THR HG1 H 30.269 49.300 6.865 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 4 . 321 . 1 1 1 THR HG21 H 31.883 49.596 4.194 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 4 . 322 . 1 1 1 THR HG22 H 31.540 50.233 5.677 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 4 . 323 . 1 1 1 THR HG23 H 30.068 49.781 4.713 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 4 . 324 . 1 1 1 THR N N 29.247 47.246 4.435 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 4 . 325 . 1 1 1 THR O O 31.785 45.753 6.464 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 4 . 326 . 1 1 1 THR OG1 O 30.330 48.348 6.779 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 4 . 327 . 1 1 2 . C C 29.708 42.337 4.935 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 4 . 328 . 1 1 2 . CA C 30.831 43.287 5.338 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 4 . 329 . 1 1 2 . CB C 32.086 42.716 4.683 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 4 . 330 . 1 1 2 . CD C 34.653 42.904 4.346 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 4 . 331 . 1 1 2 . CE C 34.662 43.094 2.834 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 4 . 332 . 1 1 2 . CG C 33.390 43.455 4.997 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 4 . 333 . 1 1 2 . H H 29.962 44.719 4.142 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 4 . 334 . 1 1 2 . HA H 30.928 43.359 6.410 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 4 . 335 . 1 1 2 . HB2 H 31.978 42.777 3.596 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 4 . 336 . 1 1 2 . HB3 H 32.187 41.670 4.965 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 4 . 337 . 1 1 2 . HD2 H 34.869 41.874 4.626 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 4 . 338 . 1 1 2 . HD3 H 35.465 43.450 4.833 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 4 . 339 . 1 1 2 . HE2 H 34.692 44.136 2.546 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 4 . 340 . 1 1 2 . HE3 H 33.722 42.612 2.541 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 4 . 341 . 1 1 2 . HG2 H 33.727 43.344 6.024 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 4 . 342 . 1 1 2 . HG3 H 33.402 44.502 4.716 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 4 . 343 . 1 1 2 . HZ1 H 35.645 41.332 2.219 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 4 . 344 . 1 1 2 . HZ2 H 36.650 42.571 2.531 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 4 . 345 . 1 1 2 . HZ3 H 35.630 42.597 1.194 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 4 . 346 . 1 1 2 . N N 30.577 44.655 4.933 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 4 . 347 . 1 1 2 . NZ N 35.737 42.339 2.173 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 4 . 348 . 1 1 2 . O O 29.195 42.452 3.826 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 4 . 349 . 1 1 3 ASN C C 26.931 40.572 5.901 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 4 . 350 . 1 1 3 ASN CA C 28.367 40.352 5.467 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 4 . 351 . 1 1 3 ASN CB C 28.821 39.006 6.028 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 4 . 352 . 1 1 3 ASN CG C 30.334 38.791 5.952 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 4 . 353 . 1 1 3 ASN H H 29.677 41.360 6.731 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 4 . 354 . 1 1 3 ASN HA H 28.365 40.147 4.399 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 4 . 355 . 1 1 3 ASN HB2 H 28.561 38.914 7.081 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 4 . 356 . 1 1 3 ASN HB3 H 28.300 38.214 5.500 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 4 . 357 . 1 1 3 ASN HD21 H 30.351 38.293 3.963 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 4 . 358 . 1 1 3 ASN HD22 H 31.863 38.130 4.899 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 4 . 359 . 1 1 3 ASN N N 29.343 41.378 5.782 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 4 . 360 . 1 1 3 ASN ND2 N 30.904 38.442 4.803 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 4 . 361 . 1 1 3 ASN O O 25.970 40.105 5.288 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 4 . 362 . 1 1 3 ASN OD1 O 31.039 38.902 6.953 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 4 . 363 . 1 1 4 ASP C C 24.775 42.668 7.367 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 4 . 364 . 1 1 4 ASP CA C 25.627 41.522 7.906 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 4 . 365 . 1 1 4 ASP CB C 26.014 41.813 9.351 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 4 . 366 . 1 1 4 ASP CG C 24.799 42.131 10.218 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 4 . 367 . 1 1 4 ASP H H 27.584 41.769 7.309 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 4 . 368 . 1 1 4 ASP HA H 25.045 40.603 7.917 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 4 . 369 . 1 1 4 ASP HB2 H 26.544 40.967 9.781 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 4 . 370 . 1 1 4 ASP HB3 H 26.586 42.735 9.397 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 4 . 371 . 1 1 4 ASP N N 26.758 41.249 7.048 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 4 . 372 . 1 1 4 ASP O O 25.085 43.861 7.419 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 4 . 373 . 1 1 4 ASP OD1 O 23.637 41.903 9.816 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 4 . 374 . 1 1 4 ASP OD2 O 25.044 42.818 11.227 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 4 . 375 . 1 1 5 THR C C 23.348 43.616 4.778 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 4 . 376 . 1 1 5 THR CA C 22.726 43.092 6.059 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 4 . 377 . 1 1 5 THR CB C 22.027 44.077 6.996 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 4 . 378 . 1 1 5 THR CG2 C 20.786 44.799 6.467 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 4 . 379 . 1 1 5 THR H H 23.438 41.264 6.790 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 4 . 380 . 1 1 5 THR HA H 21.921 42.396 5.787 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 4 . 381 . 1 1 5 THR HB H 22.739 44.889 7.142 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 4 . 382 . 1 1 5 THR HG1 H 22.451 43.006 8.544 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 4 . 383 . 1 1 5 THR HG21 H 20.141 44.041 6.025 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 4 . 384 . 1 1 5 THR HG22 H 21.147 45.444 5.676 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 4 . 385 . 1 1 5 THR HG23 H 20.300 45.428 7.222 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 4 . 386 . 1 1 5 THR N N 23.651 42.253 6.780 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 4 . 387 . 1 1 5 THR O O 22.980 44.637 4.201 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 4 . 388 . 1 1 5 THR OG1 O 21.743 43.612 8.299 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 4 . 389 . 1 1 6 . C C 26.114 44.681 3.716 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 4 . 390 . 1 1 6 . CA C 25.215 43.554 3.221 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 4 . 391 . 1 1 6 . CB C 26.020 42.453 2.557 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 4 . 392 . 1 1 6 . CG C 25.181 41.334 1.953 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 4 . 393 . 1 1 6 . H H 24.911 42.473 5.054 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 4 . 394 . 1 1 6 . HA H 24.560 43.905 2.421 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 4 . 395 . 1 1 6 . HB2 H 26.700 42.037 3.295 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 4 . 396 . 1 1 6 . HB3 H 26.646 42.847 1.752 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 4 . 397 . 1 1 6 . HD21 H 25.337 40.093 3.545 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 4 . 398 . 1 1 6 . HD22 H 24.075 39.710 2.441 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 4 . 399 . 1 1 6 . N N 24.462 43.027 4.341 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 4 . 400 . 1 1 6 . ND2 N 24.930 40.206 2.623 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 4 . 401 . 1 1 6 . O O 26.590 44.600 4.846 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 4 . 402 . 1 1 6 . OD1 O 24.759 41.532 0.813 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 4 . 403 . 1 1 7 DPR C C 28.643 46.618 3.432 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 4 . 404 . 1 1 7 DPR CA C 27.137 46.853 3.337 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 4 . 405 . 1 1 7 DPR CB C 26.755 47.984 2.388 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 4 . 406 . 1 1 7 DPR CD C 25.874 45.911 1.548 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 4 . 407 . 1 1 7 DPR CG C 26.517 47.213 1.089 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 4 . 408 . 1 1 7 DPR HA H 26.758 47.247 4.285 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 4 . 409 . 1 1 7 DPR HB2 H 27.571 48.663 2.160 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 4 . 410 . 1 1 7 DPR HB3 H 25.880 48.543 2.715 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 4 . 411 . 1 1 7 DPR HD2 H 26.122 45.094 0.871 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 4 . 412 . 1 1 7 DPR HD3 H 24.803 46.082 1.501 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 4 . 413 . 1 1 7 DPR HG2 H 27.485 47.121 0.588 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 4 . 414 . 1 1 7 DPR HG3 H 25.871 47.775 0.409 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 4 . 415 . 1 1 7 DPR N N 26.350 45.721 2.903 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 4 . 416 . 1 1 7 DPR O O 29.243 45.917 2.625 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 5 . 417 . 1 1 1 THR C C 31.088 45.687 5.420 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 5 . 418 . 1 1 1 THR CA C 30.554 46.979 4.829 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 5 . 419 . 1 1 1 THR CB C 30.844 48.184 5.722 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 5 . 420 . 1 1 1 THR CG2 C 30.532 49.503 5.024 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 5 . 421 . 1 1 1 THR H1 H 28.532 47.280 5.277 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 5 . 422 . 1 1 1 THR HA H 31.129 47.143 3.917 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 5 . 423 . 1 1 1 THR HB H 31.910 48.229 5.922 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 5 . 424 . 1 1 1 THR HG1 H 29.146 48.187 6.673 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 5 . 425 . 1 1 1 THR HG21 H 30.912 49.448 4.002 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 5 . 426 . 1 1 1 THR HG22 H 31.034 50.344 5.509 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 5 . 427 . 1 1 1 THR HG23 H 29.490 49.810 4.935 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 5 . 428 . 1 1 1 THR N N 29.139 46.982 4.527 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 5 . 429 . 1 1 1 THR O O 31.900 45.746 6.341 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 5 . 430 . 1 1 1 THR OG1 O 30.072 48.197 6.910 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 5 . 431 . 1 1 2 . C C 29.766 42.242 4.859 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 5 . 432 . 1 1 2 . CA C 30.858 43.210 5.296 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 5 . 433 . 1 1 2 . CB C 32.135 42.614 4.708 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 5 . 434 . 1 1 2 . CD C 34.273 41.286 5.153 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 5 . 435 . 1 1 2 . CE C 35.404 42.301 5.005 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 5 . 436 . 1 1 2 . CG C 32.985 41.861 5.731 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 5 . 437 . 1 1 2 . H H 30.013 44.728 4.067 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 5 . 438 . 1 1 2 . HA H 30.958 43.215 6.385 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 5 . 439 . 1 1 2 . HB2 H 32.665 43.433 4.226 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 5 . 440 . 1 1 2 . HB3 H 31.958 41.922 3.887 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 5 . 441 . 1 1 2 . HD2 H 34.065 40.834 4.183 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 5 . 442 . 1 1 2 . HD3 H 34.509 40.484 5.848 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 5 . 443 . 1 1 2 . HE2 H 35.702 42.609 6.005 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 5 . 444 . 1 1 2 . HE3 H 35.116 43.158 4.392 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 5 . 445 . 1 1 2 . HG2 H 32.480 40.932 6.019 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 5 . 446 . 1 1 2 . HG3 H 33.202 42.441 6.621 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 5 . 447 . 1 1 2 . HZ1 H 36.213 41.536 3.363 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 5 . 448 . 1 1 2 . HZ2 H 36.767 40.786 4.687 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 5 . 449 . 1 1 2 . HZ3 H 37.330 42.327 4.167 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 5 . 450 . 1 1 2 . N N 30.651 44.571 4.838 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 5 . 451 . 1 1 2 . NZ N 36.544 41.693 4.307 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 5 . 452 . 1 1 2 . O O 29.368 42.254 3.695 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 5 . 453 . 1 1 3 ASN C C 26.880 40.754 6.089 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 5 . 454 . 1 1 3 ASN CA C 28.235 40.463 5.446 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 5 . 455 . 1 1 3 ASN CB C 28.676 39.030 5.710 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 5 . 456 . 1 1 3 ASN CG C 30.041 38.786 5.092 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 5 . 457 . 1 1 3 ASN H H 29.814 41.317 6.627 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 5 . 458 . 1 1 3 ASN HA H 28.033 40.596 4.383 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 5 . 459 . 1 1 3 ASN HB2 H 28.681 38.678 6.742 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 5 . 460 . 1 1 3 ASN HB3 H 27.953 38.441 5.151 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 5 . 461 . 1 1 3 ASN HD21 H 29.138 38.374 3.305 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 5 . 462 . 1 1 3 ASN HD22 H 30.917 38.331 3.402 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 5 . 463 . 1 1 3 ASN N N 29.279 41.404 5.773 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 5 . 464 . 1 1 3 ASN ND2 N 30.007 38.568 3.778 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 5 . 465 . 1 1 3 ASN O O 25.853 40.669 5.417 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 5 . 466 . 1 1 3 ASN OD1 O 31.040 38.613 5.782 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 5 . 467 . 1 1 4 ASP C C 24.857 42.532 7.301 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 5 . 468 . 1 1 4 ASP CA C 25.605 41.453 8.072 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 5 . 469 . 1 1 4 ASP CB C 25.923 41.973 9.469 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 5 . 470 . 1 1 4 ASP CG C 24.760 41.657 10.400 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 5 . 471 . 1 1 4 ASP H H 27.697 40.822 7.822 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 5 . 472 . 1 1 4 ASP HA H 25.003 40.549 8.168 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 5 . 473 . 1 1 4 ASP HB2 H 26.882 41.565 9.781 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 5 . 474 . 1 1 4 ASP HB3 H 26.113 43.039 9.410 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 5 . 475 . 1 1 4 ASP N N 26.832 41.086 7.384 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 5 . 476 . 1 1 4 ASP O O 25.288 43.663 7.117 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 5 . 477 . 1 1 4 ASP OD1 O 25.047 41.058 11.449 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 5 . 478 . 1 1 4 ASP OD2 O 23.595 41.831 9.977 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 5 . 479 . 1 1 5 THR C C 23.449 43.674 4.863 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 5 . 480 . 1 1 5 THR CA C 22.825 42.971 6.050 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 5 . 481 . 1 1 5 THR CB C 21.988 43.925 6.900 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 5 . 482 . 1 1 5 THR CG2 C 20.633 44.365 6.342 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 5 . 483 . 1 1 5 THR H H 23.348 41.172 6.984 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 5 . 484 . 1 1 5 THR HA H 22.060 42.305 5.633 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 5 . 485 . 1 1 5 THR HB H 22.556 44.852 7.018 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 5 . 486 . 1 1 5 THR HG1 H 22.349 42.605 8.224 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 5 . 487 . 1 1 5 THR HG21 H 19.955 44.867 7.024 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 5 . 488 . 1 1 5 THR HG22 H 20.141 43.488 5.924 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 5 . 489 . 1 1 5 THR HG23 H 20.880 45.074 5.554 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 5 . 490 . 1 1 5 THR N N 23.701 42.102 6.807 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 5 . 491 . 1 1 5 THR O O 22.947 44.673 4.359 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 5 . 492 . 1 1 5 THR OG1 O 21.722 43.329 8.139 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 5 . 493 . 1 1 6 . C C 26.269 44.768 3.658 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 5 . 494 . 1 1 6 . CA C 25.359 43.622 3.257 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 5 . 495 . 1 1 6 . CB C 26.202 42.477 2.709 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 5 . 496 . 1 1 6 . CG C 25.488 41.341 1.993 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 5 . 497 . 1 1 6 . H H 24.956 42.306 4.803 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 5 . 498 . 1 1 6 . HA H 24.689 44.012 2.487 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 5 . 499 . 1 1 6 . HB2 H 26.731 42.096 3.585 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 5 . 500 . 1 1 6 . HB3 H 27.022 42.770 2.048 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 5 . 501 . 1 1 6 . HD21 H 25.724 40.046 3.566 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 5 . 502 . 1 1 6 . HD22 H 24.825 39.411 2.262 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 5 . 503 . 1 1 6 . N N 24.574 43.143 4.385 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 5 . 504 . 1 1 6 . ND2 N 25.390 40.165 2.627 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 5 . 505 . 1 1 6 . O O 27.034 44.624 4.617 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 5 . 506 . 1 1 6 . OD1 O 24.998 41.406 0.862 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 5 . 507 . 1 1 7 DPR C C 28.574 46.650 3.371 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 5 . 508 . 1 1 7 DPR CA C 27.114 47.022 3.139 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 5 . 509 . 1 1 7 DPR CB C 26.925 47.969 1.961 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 5 . 510 . 1 1 7 DPR CD C 25.977 45.871 1.477 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 5 . 511 . 1 1 7 DPR CG C 26.727 47.003 0.794 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 5 . 512 . 1 1 7 DPR HA H 26.742 47.538 4.027 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 5 . 513 . 1 1 7 DPR HB2 H 27.790 48.621 1.860 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 5 . 514 . 1 1 7 DPR HB3 H 26.055 48.586 2.153 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 5 . 515 . 1 1 7 DPR HD2 H 26.415 44.948 1.085 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 5 . 516 . 1 1 7 DPR HD3 H 24.931 45.918 1.214 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 5 . 517 . 1 1 7 DPR HG2 H 27.650 46.663 0.309 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 5 . 518 . 1 1 7 DPR HG3 H 26.037 47.358 0.027 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 5 . 519 . 1 1 7 DPR N N 26.281 45.862 2.895 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 5 . 520 . 1 1 7 DPR O O 29.227 46.132 2.467 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 6 . 521 . 1 1 1 THR C C 31.117 45.198 5.140 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 6 . 522 . 1 1 1 THR CA C 30.459 46.549 5.323 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 6 . 523 . 1 1 1 THR CB C 30.948 47.167 6.633 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 6 . 524 . 1 1 1 THR CG2 C 30.562 48.630 6.811 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 6 . 525 . 1 1 1 THR H1 H 28.410 46.328 5.936 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 6 . 526 . 1 1 1 THR HA H 30.825 47.245 4.563 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 6 . 527 . 1 1 1 THR HB H 32.024 47.017 6.621 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 6 . 528 . 1 1 1 THR HG1 H 30.539 46.945 8.570 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 6 . 529 . 1 1 1 THR HG21 H 29.495 48.739 6.996 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 6 . 530 . 1 1 1 THR HG22 H 30.796 49.156 5.883 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 6 . 531 . 1 1 1 THR HG23 H 31.247 49.043 7.559 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 6 . 532 . 1 1 1 THR N N 29.023 46.569 5.159 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 6 . 533 . 1 1 1 THR O O 32.251 44.996 5.563 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 6 . 534 . 1 1 1 THR OG1 O 30.358 46.505 7.734 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 6 . 535 . 1 1 2 . C C 30.071 41.803 4.493 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 6 . 536 . 1 1 2 . CA C 30.794 43.042 3.973 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 6 . 537 . 1 1 2 . CB C 30.835 43.150 2.461 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 6 . 538 . 1 1 2 . CD C 33.296 43.856 2.074 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 6 . 539 . 1 1 2 . CE C 33.778 42.590 1.369 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 6 . 540 . 1 1 2 . CG C 31.811 44.183 1.899 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 6 . 541 . 1 1 2 . H H 29.328 44.433 4.564 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 6 . 542 . 1 1 2 . HA H 31.787 42.884 4.389 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 6 . 543 . 1 1 2 . HB2 H 29.831 43.308 2.067 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 6 . 544 . 1 1 2 . HB3 H 31.062 42.190 1.983 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 6 . 545 . 1 1 2 . HD2 H 33.480 43.794 3.140 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 6 . 546 . 1 1 2 . HD3 H 33.889 44.712 1.737 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 6 . 547 . 1 1 2 . HE2 H 33.965 42.887 0.342 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 6 . 548 . 1 1 2 . HE3 H 33.072 41.778 1.478 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 6 . 549 . 1 1 2 . HG2 H 31.595 45.158 2.321 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 6 . 550 . 1 1 2 . HG3 H 31.540 44.252 0.842 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 6 . 551 . 1 1 2 . HZ1 H 35.353 41.200 1.312 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 6 . 552 . 1 1 2 . HZ2 H 34.893 41.730 2.780 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 6 . 553 . 1 1 2 . HZ3 H 35.843 42.656 1.913 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 6 . 554 . 1 1 2 . N N 30.329 44.285 4.568 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 6 . 555 . 1 1 2 . NZ N 35.052 42.020 1.831 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 6 . 556 . 1 1 2 . O O 29.999 40.774 3.832 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 6 . 557 . 1 1 3 ASN C C 27.146 41.126 6.436 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 6 . 558 . 1 1 3 ASN CA C 28.605 40.799 6.162 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 6 . 559 . 1 1 3 ASN CB C 29.277 40.239 7.410 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 6 . 560 . 1 1 3 ASN CG C 30.538 39.429 7.107 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 6 . 561 . 1 1 3 ASN H H 29.393 42.812 6.066 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 6 . 562 . 1 1 3 ASN HA H 28.481 40.009 5.418 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 6 . 563 . 1 1 3 ASN HB2 H 29.515 41.050 8.098 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 6 . 564 . 1 1 3 ASN HB3 H 28.522 39.663 7.954 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 6 . 565 . 1 1 3 ASN HD21 H 31.621 40.873 8.027 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 6 . 566 . 1 1 3 ASN HD22 H 32.528 39.461 7.562 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 6 . 567 . 1 1 3 ASN N N 29.375 41.910 5.627 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 6 . 568 . 1 1 3 ASN ND2 N 31.665 39.989 7.532 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 6 . 569 . 1 1 3 ASN O O 26.230 40.705 5.734 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 6 . 570 . 1 1 3 ASN OD1 O 30.529 38.316 6.585 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 6 . 571 . 1 1 4 ASP C C 24.698 43.011 7.115 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 6 . 572 . 1 1 4 ASP CA C 25.595 42.153 7.994 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 6 . 573 . 1 1 4 ASP CB C 25.671 42.606 9.453 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 6 . 574 . 1 1 4 ASP CG C 24.324 42.720 10.155 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 6 . 575 . 1 1 4 ASP H H 27.677 42.372 7.972 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 6 . 576 . 1 1 4 ASP HA H 25.104 41.181 8.080 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 6 . 577 . 1 1 4 ASP HB2 H 26.300 41.849 9.914 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 6 . 578 . 1 1 4 ASP HB3 H 26.103 43.601 9.428 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 6 . 579 . 1 1 4 ASP N N 26.923 41.979 7.442 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 6 . 580 . 1 1 4 ASP O O 24.888 44.219 6.948 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 6 . 581 . 1 1 4 ASP OD1 O 23.857 43.754 10.674 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 6 . 582 . 1 1 4 ASP OD2 O 23.664 41.655 10.225 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 6 . 583 . 1 1 5 THR C C 23.407 43.336 4.279 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 6 . 584 . 1 1 5 THR CA C 22.728 42.984 5.599 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 6 . 585 . 1 1 5 THR CB C 21.729 44.026 6.090 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 6 . 586 . 1 1 5 THR CG2 C 20.392 43.945 5.350 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 6 . 587 . 1 1 5 THR H H 23.476 41.430 6.793 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 6 . 588 . 1 1 5 THR HA H 22.162 42.089 5.332 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 6 . 589 . 1 1 5 THR HB H 22.190 44.995 5.854 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 6 . 590 . 1 1 5 THR HG1 H 21.114 43.099 7.587 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 6 . 591 . 1 1 5 THR HG21 H 19.792 44.727 5.818 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 6 . 592 . 1 1 5 THR HG22 H 20.001 42.930 5.379 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 6 . 593 . 1 1 5 THR HG23 H 20.489 44.176 4.287 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 6 . 594 . 1 1 5 THR N N 23.642 42.398 6.554 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 6 . 595 . 1 1 5 THR O O 22.725 43.804 3.377 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 6 . 596 . 1 1 5 THR OG1 O 21.505 43.971 7.476 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 6 . 597 . 1 1 6 . C C 26.516 44.444 3.455 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 6 . 598 . 1 1 6 . CA C 25.516 43.387 3.003 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 6 . 599 . 1 1 6 . CB C 26.305 42.159 2.570 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 6 . 600 . 1 1 6 . CG C 25.547 40.993 1.959 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 6 . 601 . 1 1 6 . H H 25.120 42.529 4.891 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 6 . 602 . 1 1 6 . HA H 24.971 43.766 2.131 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 6 . 603 . 1 1 6 . HB2 H 26.734 41.806 3.519 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 6 . 604 . 1 1 6 . HB3 H 27.221 42.389 2.024 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 6 . 605 . 1 1 6 . HD21 H 27.249 39.920 1.725 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 6 . 606 . 1 1 6 . HD22 H 25.811 39.001 1.489 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 6 . 607 . 1 1 6 . N N 24.672 42.961 4.095 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 6 . 608 . 1 1 6 . ND2 N 26.240 39.878 1.748 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 6 . 609 . 1 1 6 . O O 27.538 44.070 4.030 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 6 . 610 . 1 1 6 . OD1 O 24.320 40.993 1.833 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 6 . 611 . 1 1 7 DPR C C 28.371 46.859 4.035 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 6 . 612 . 1 1 7 DPR CA C 26.853 46.805 4.035 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 6 . 613 . 1 1 7 DPR CB C 26.199 48.087 3.511 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 6 . 614 . 1 1 7 DPR CD C 25.295 46.236 2.296 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 6 . 615 . 1 1 7 DPR CG C 24.879 47.547 2.956 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 6 . 616 . 1 1 7 DPR HA H 26.497 46.682 5.057 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 6 . 617 . 1 1 7 DPR HB2 H 26.783 48.564 2.714 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 6 . 618 . 1 1 7 DPR HB3 H 26.051 48.885 4.231 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 6 . 619 . 1 1 7 DPR HD2 H 25.709 46.363 1.295 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 6 . 620 . 1 1 7 DPR HD3 H 24.461 45.530 2.199 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 6 . 621 . 1 1 7 DPR HG2 H 24.601 48.297 2.218 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 6 . 622 . 1 1 7 DPR HG3 H 24.133 47.444 3.744 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 6 . 623 . 1 1 7 DPR N N 26.279 45.745 3.235 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 6 . 624 . 1 1 7 DPR O O 29.026 47.014 2.998 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 7 . 625 . 1 1 1 THR C C 31.084 45.276 5.212 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 7 . 626 . 1 1 1 THR CA C 30.500 46.674 5.361 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 7 . 627 . 1 1 1 THR CB C 30.902 47.429 6.618 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 7 . 628 . 1 1 1 THR CG2 C 30.663 48.927 6.437 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 7 . 629 . 1 1 1 THR H1 H 28.501 46.741 5.923 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 7 . 630 . 1 1 1 THR HA H 31.012 47.228 4.581 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 7 . 631 . 1 1 1 THR HB H 31.955 47.210 6.843 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 7 . 632 . 1 1 1 THR HG1 H 30.685 47.034 8.490 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 7 . 633 . 1 1 1 THR HG21 H 29.633 49.142 6.151 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 7 . 634 . 1 1 1 THR HG22 H 31.339 49.252 5.652 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 7 . 635 . 1 1 1 THR HG23 H 30.949 49.494 7.321 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 7 . 636 . 1 1 1 THR N N 29.076 46.711 5.091 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 7 . 637 . 1 1 1 THR O O 32.283 45.127 5.465 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 7 . 638 . 1 1 1 THR OG1 O 30.165 46.888 7.698 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 7 . 639 . 1 1 2 . C C 29.818 42.002 4.297 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 7 . 640 . 1 1 2 . CA C 30.750 43.170 3.986 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 7 . 641 . 1 1 2 . CB C 30.717 43.504 2.494 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 7 . 642 . 1 1 2 . CD C 33.301 43.984 2.301 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 7 . 643 . 1 1 2 . CE C 33.545 42.524 1.925 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 7 . 644 . 1 1 2 . CG C 31.867 44.411 2.029 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 7 . 645 . 1 1 2 . H H 29.342 44.567 4.625 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 7 . 646 . 1 1 2 . HA H 31.740 42.881 4.326 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 7 . 647 . 1 1 2 . HB2 H 29.768 44.016 2.348 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 7 . 648 . 1 1 2 . HB3 H 30.713 42.610 1.881 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 7 . 649 . 1 1 2 . HD2 H 33.544 44.159 3.349 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 7 . 650 . 1 1 2 . HD3 H 33.925 44.635 1.698 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 7 . 651 . 1 1 2 . HE2 H 33.455 42.333 0.858 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 7 . 652 . 1 1 2 . HE3 H 32.776 41.847 2.311 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 7 . 653 . 1 1 2 . HG2 H 31.741 45.377 2.518 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 7 . 654 . 1 1 2 . HG3 H 31.734 44.435 0.947 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 7 . 655 . 1 1 2 . HZ1 H 35.624 42.732 1.962 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 7 . 656 . 1 1 2 . HZ2 H 35.160 41.185 2.139 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 7 . 657 . 1 1 2 . HZ3 H 34.938 42.220 3.347 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 7 . 658 . 1 1 2 . N N 30.301 44.284 4.796 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 7 . 659 . 1 1 2 . NZ N 34.907 42.142 2.341 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 7 . 660 . 1 1 2 . O O 29.683 41.120 3.458 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 7 . 661 . 1 1 3 ASN C C 27.090 41.065 6.438 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 7 . 662 . 1 1 3 ASN CA C 28.525 40.802 6.019 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 7 . 663 . 1 1 3 ASN CB C 29.476 40.235 7.066 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 7 . 664 . 1 1 3 ASN CG C 30.929 39.892 6.764 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 7 . 665 . 1 1 3 ASN H H 29.093 42.898 5.876 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 7 . 666 . 1 1 3 ASN HA H 28.458 39.972 5.321 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 7 . 667 . 1 1 3 ASN HB2 H 29.610 41.029 7.808 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 7 . 668 . 1 1 3 ASN HB3 H 29.003 39.349 7.500 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 7 . 669 . 1 1 3 ASN HD21 H 30.432 38.616 5.212 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 7 . 670 . 1 1 3 ASN HD22 H 32.137 38.884 5.577 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 7 . 671 . 1 1 3 ASN N N 29.086 41.997 5.416 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 7 . 672 . 1 1 3 ASN ND2 N 31.166 39.071 5.741 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 7 . 673 . 1 1 3 ASN O O 26.156 40.686 5.731 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 7 . 674 . 1 1 3 ASN OD1 O 31.883 40.210 7.468 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 7 . 675 . 1 1 4 ASP C C 24.808 43.003 7.094 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 7 . 676 . 1 1 4 ASP CA C 25.559 42.090 8.051 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 7 . 677 . 1 1 4 ASP CB C 25.490 42.703 9.450 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 7 . 678 . 1 1 4 ASP CG C 24.128 42.592 10.132 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 7 . 679 . 1 1 4 ASP H H 27.714 42.115 8.020 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 7 . 680 . 1 1 4 ASP HA H 25.073 41.120 8.122 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 7 . 681 . 1 1 4 ASP HB2 H 26.235 42.219 10.079 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 7 . 682 . 1 1 4 ASP HB3 H 25.696 43.767 9.350 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 7 . 683 . 1 1 4 ASP N N 26.886 41.764 7.552 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 7 . 684 . 1 1 4 ASP O O 25.206 44.130 6.827 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 7 . 685 . 1 1 4 ASP OD1 O 24.060 42.126 11.291 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 7 . 686 . 1 1 4 ASP OD2 O 23.125 42.960 9.479 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 7 . 687 . 1 1 5 THR C C 23.378 43.374 4.312 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 7 . 688 . 1 1 5 THR CA C 22.761 43.067 5.663 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 7 . 689 . 1 1 5 THR CB C 22.007 44.227 6.312 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 7 . 690 . 1 1 5 THR CG2 C 20.787 44.840 5.619 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 7 . 691 . 1 1 5 THR H H 23.520 41.559 6.992 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 7 . 692 . 1 1 5 THR HA H 22.007 42.271 5.592 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 7 . 693 . 1 1 5 THR HB H 22.718 44.995 6.626 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 7 . 694 . 1 1 5 THR HG1 H 22.038 43.217 7.985 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 7 . 695 . 1 1 5 THR HG21 H 20.192 45.439 6.303 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 7 . 696 . 1 1 5 THR HG22 H 20.116 44.109 5.176 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 7 . 697 . 1 1 5 THR HG23 H 21.116 45.533 4.853 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 7 . 698 . 1 1 5 THR N N 23.724 42.447 6.541 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 7 . 699 . 1 1 5 THR O O 22.787 44.017 3.443 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 7 . 700 . 1 1 5 THR OG1 O 21.451 43.832 7.548 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 7 . 701 . 1 1 6 . C C 26.476 44.335 3.544 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 7 . 702 . 1 1 6 . CA C 25.508 43.298 2.979 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 7 . 703 . 1 1 6 . CB C 26.267 42.035 2.577 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 7 . 704 . 1 1 6 . CG C 25.341 40.948 2.055 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 7 . 705 . 1 1 6 . H H 25.119 42.517 4.835 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 7 . 706 . 1 1 6 . HA H 25.029 43.719 2.093 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 7 . 707 . 1 1 6 . HB2 H 26.792 41.580 3.409 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 7 . 708 . 1 1 6 . HB3 H 27.003 42.332 1.829 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 7 . 709 . 1 1 6 . HD21 H 25.106 40.182 3.903 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 7 . 710 . 1 1 6 . HD22 H 24.247 39.397 2.500 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 7 . 711 . 1 1 6 . N N 24.623 42.937 4.068 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 7 . 712 . 1 1 6 . ND2 N 24.806 40.112 2.944 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 7 . 713 . 1 1 6 . O O 27.342 44.006 4.355 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 7 . 714 . 1 1 6 . OD1 O 24.933 40.768 0.900 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 7 . 715 . 1 1 7 DPR C C 28.461 46.708 3.911 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 7 . 716 . 1 1 7 DPR CA C 26.947 46.618 4.031 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 7 . 717 . 1 1 7 DPR CB C 26.191 47.908 3.733 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 7 . 718 . 1 1 7 DPR CD C 25.455 46.249 2.220 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 7 . 719 . 1 1 7 DPR CG C 25.790 47.740 2.269 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 7 . 720 . 1 1 7 DPR HA H 26.752 46.296 5.054 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 7 . 721 . 1 1 7 DPR HB2 H 26.903 48.739 3.799 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 7 . 722 . 1 1 7 DPR HB3 H 25.318 48.179 4.331 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 7 . 723 . 1 1 7 DPR HD2 H 25.595 45.807 1.226 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 7 . 724 . 1 1 7 DPR HD3 H 24.413 46.133 2.497 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 7 . 725 . 1 1 7 DPR HG2 H 26.612 47.929 1.579 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 7 . 726 . 1 1 7 DPR HG3 H 24.974 48.428 2.088 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 7 . 727 . 1 1 7 DPR N N 26.289 45.612 3.217 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 7 . 728 . 1 1 7 DPR O O 29.049 46.770 2.839 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 8 . 729 . 1 1 1 THR C C 31.328 45.345 4.465 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 8 . 730 . 1 1 1 THR CA C 30.713 46.732 4.466 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 8 . 731 . 1 1 1 THR CB C 31.501 47.647 5.395 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 8 . 732 . 1 1 1 THR CG2 C 31.079 49.094 5.188 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 8 . 733 . 1 1 1 THR H1 H 29.073 46.170 5.614 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 8 . 734 . 1 1 1 THR HA H 30.814 47.068 3.435 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 8 . 735 . 1 1 1 THR HB H 32.564 47.604 5.154 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 8 . 736 . 1 1 1 THR HG1 H 30.576 47.691 7.077 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 8 . 737 . 1 1 1 THR HG21 H 31.433 49.636 6.073 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 8 . 738 . 1 1 1 THR HG22 H 30.006 49.062 5.029 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 8 . 739 . 1 1 1 THR HG23 H 31.671 49.463 4.351 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 8 . 740 . 1 1 1 THR N N 29.298 46.673 4.765 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 8 . 741 . 1 1 1 THR O O 32.536 45.204 4.288 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 8 . 742 . 1 1 1 THR OG1 O 31.405 47.316 6.756 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 8 . 743 . 1 1 2 . C C 30.388 41.752 4.829 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 8 . 744 . 1 1 2 . CA C 31.135 42.923 4.214 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 8 . 745 . 1 1 2 . CB C 31.419 42.757 2.724 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 8 . 746 . 1 1 2 . CD C 30.457 42.490 0.423 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 8 . 747 . 1 1 2 . CE C 29.230 42.791 -0.426 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 8 . 748 . 1 1 2 . CG C 30.183 42.961 1.856 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 8 . 749 . 1 1 2 . H H 29.611 44.346 4.665 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 8 . 750 . 1 1 2 . HA H 32.135 42.932 4.657 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 8 . 751 . 1 1 2 . HB2 H 31.719 41.725 2.574 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 8 . 752 . 1 1 2 . HB3 H 32.275 43.403 2.499 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 8 . 753 . 1 1 2 . HD2 H 30.532 41.403 0.441 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 8 . 754 . 1 1 2 . HD3 H 31.373 42.933 0.019 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 8 . 755 . 1 1 2 . HE2 H 29.095 43.869 -0.476 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 8 . 756 . 1 1 2 . HE3 H 28.379 42.302 0.047 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 8 . 757 . 1 1 2 . HG2 H 30.019 44.035 1.919 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 8 . 758 . 1 1 2 . HG3 H 29.345 42.407 2.272 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 8 . 759 . 1 1 2 . HZ1 H 30.329 42.384 -2.040 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 8 . 760 . 1 1 2 . HZ2 H 28.867 42.847 -2.489 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 8 . 761 . 1 1 2 . HZ3 H 29.114 41.309 -1.938 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 8 . 762 . 1 1 2 . N N 30.603 44.219 4.558 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 8 . 763 . 1 1 2 . NZ N 29.361 42.282 -1.804 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 8 . 764 . 1 1 2 . O O 30.833 40.608 4.741 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 8 . 765 . 1 1 3 ASN C C 27.241 41.351 6.496 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 8 . 766 . 1 1 3 ASN CA C 28.744 41.108 6.507 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 8 . 767 . 1 1 3 ASN CB C 29.429 41.236 7.868 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 8 . 768 . 1 1 3 ASN CG C 30.800 40.578 7.874 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 8 . 769 . 1 1 3 ASN H H 28.955 42.991 5.555 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 8 . 770 . 1 1 3 ASN HA H 28.851 40.107 6.077 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 8 . 771 . 1 1 3 ASN HB2 H 29.425 42.295 8.135 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 8 . 772 . 1 1 3 ASN HB3 H 28.790 40.686 8.562 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 8 . 773 . 1 1 3 ASN HD21 H 31.619 42.204 8.802 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 8 . 774 . 1 1 3 ASN HD22 H 32.714 40.875 8.521 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 8 . 775 . 1 1 3 ASN N N 29.336 42.063 5.586 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 8 . 776 . 1 1 3 ASN ND2 N 31.795 41.272 8.430 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 8 . 777 . 1 1 3 ASN O O 26.513 41.057 5.541 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 8 . 778 . 1 1 3 ASN OD1 O 31.004 39.426 7.488 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 8 . 779 . 1 1 4 ASP C C 24.440 42.618 6.932 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 8 . 780 . 1 1 4 ASP CA C 25.252 41.756 7.888 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 8 . 781 . 1 1 4 ASP CB C 25.011 42.058 9.362 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 8 . 782 . 1 1 4 ASP CG C 23.604 41.642 9.784 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 8 . 783 . 1 1 4 ASP H H 27.274 42.045 8.385 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 8 . 784 . 1 1 4 ASP HA H 24.880 40.741 7.718 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 8 . 785 . 1 1 4 ASP HB2 H 25.695 41.447 9.954 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 8 . 786 . 1 1 4 ASP HB3 H 25.227 43.078 9.655 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 8 . 787 . 1 1 4 ASP N N 26.679 41.826 7.606 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 8 . 788 . 1 1 4 ASP O O 24.761 43.780 6.702 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 8 . 789 . 1 1 4 ASP OD1 O 23.139 40.539 9.419 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 8 . 790 . 1 1 4 ASP OD2 O 22.987 42.407 10.556 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 8 . 791 . 1 1 5 THR C C 23.101 43.231 4.142 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 8 . 792 . 1 1 5 THR CA C 22.477 42.746 5.448 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 8 . 793 . 1 1 5 THR CB C 21.625 43.842 6.068 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 8 . 794 . 1 1 5 THR CG2 C 20.805 43.362 7.261 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 8 . 795 . 1 1 5 THR H H 23.173 41.105 6.578 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 8 . 796 . 1 1 5 THR HA H 21.807 41.986 5.062 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 8 . 797 . 1 1 5 THR HB H 20.822 44.212 5.434 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 8 . 798 . 1 1 5 THR HG1 H 23.295 44.554 6.582 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 8 . 799 . 1 1 5 THR HG21 H 19.951 43.984 7.547 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 8 . 800 . 1 1 5 THR HG22 H 21.424 43.205 8.148 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 8 . 801 . 1 1 5 THR HG23 H 20.376 42.369 7.101 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 8 . 802 . 1 1 5 THR N N 23.336 42.086 6.421 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 8 . 803 . 1 1 5 THR O O 22.280 43.446 3.243 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 8 . 804 . 1 1 5 THR OG1 O 22.407 44.915 6.551 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 8 . 805 . 1 1 6 . C C 26.368 44.674 3.475 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 8 . 806 . 1 1 6 . CA C 25.282 43.741 2.982 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 8 . 807 . 1 1 6 . CB C 25.806 42.442 2.362 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 8 . 808 . 1 1 6 . CG C 24.601 41.705 1.799 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 8 . 809 . 1 1 6 . H H 24.887 43.331 4.990 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 8 . 810 . 1 1 6 . HA H 24.666 44.198 2.213 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 8 . 811 . 1 1 6 . HB2 H 26.313 41.833 3.119 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 8 . 812 . 1 1 6 . HB3 H 26.423 42.712 1.504 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 8 . 813 . 1 1 6 . HD21 H 24.561 40.201 3.194 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 8 . 814 . 1 1 6 . HD22 H 23.356 40.122 1.929 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 8 . 815 . 1 1 6 . N N 24.422 43.406 4.099 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 8 . 816 . 1 1 6 . ND2 N 24.147 40.583 2.344 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 8 . 817 . 1 1 6 . O O 27.535 44.316 3.658 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 8 . 818 . 1 1 6 . OD1 O 24.088 42.194 0.786 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 8 . 819 . 1 1 7 DPR C C 28.297 47.068 3.970 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 8 . 820 . 1 1 7 DPR CA C 26.948 46.714 4.585 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 8 . 821 . 1 1 7 DPR CB C 26.156 47.957 4.961 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 8 . 822 . 1 1 7 DPR CD C 24.790 46.580 3.512 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 8 . 823 . 1 1 7 DPR CG C 25.085 48.024 3.880 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 8 . 824 . 1 1 7 DPR HA H 27.109 46.115 5.475 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 8 . 825 . 1 1 7 DPR HB2 H 26.746 48.868 5.047 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 8 . 826 . 1 1 7 DPR HB3 H 25.532 47.688 5.811 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 8 . 827 . 1 1 7 DPR HD2 H 24.445 46.439 2.483 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 8 . 828 . 1 1 7 DPR HD3 H 24.111 46.168 4.258 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 8 . 829 . 1 1 7 DPR HG2 H 25.544 48.474 2.992 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 8 . 830 . 1 1 7 DPR HG3 H 24.252 48.689 4.091 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 8 . 831 . 1 1 7 DPR N N 26.084 45.961 3.700 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 8 . 832 . 1 1 7 DPR O O 28.402 47.651 2.893 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 9 . 833 . 1 1 1 THR C C 31.278 45.222 3.877 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 9 . 834 . 1 1 1 THR CA C 30.868 46.546 4.493 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 9 . 835 . 1 1 1 THR CB C 31.855 46.948 5.578 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 9 . 836 . 1 1 1 THR CG2 C 31.792 48.389 6.073 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 9 . 837 . 1 1 1 THR H1 H 29.237 46.604 5.845 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 9 . 838 . 1 1 1 THR HA H 30.982 47.334 3.734 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 9 . 839 . 1 1 1 THR HB H 32.895 46.888 5.252 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 9 . 840 . 1 1 1 THR HG1 H 30.787 46.404 7.124 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 9 . 841 . 1 1 1 THR HG21 H 31.617 49.017 5.194 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 9 . 842 . 1 1 1 THR HG22 H 32.635 48.702 6.685 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 9 . 843 . 1 1 1 THR HG23 H 30.900 48.584 6.672 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 9 . 844 . 1 1 1 THR N N 29.467 46.668 4.869 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 9 . 845 . 1 1 1 THR O O 32.314 45.168 3.214 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 9 . 846 . 1 1 1 THR OG1 O 31.615 46.147 6.718 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 9 . 847 . 1 1 2 . C C 30.394 41.894 4.957 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 9 . 848 . 1 1 2 . CA C 30.793 42.808 3.810 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 9 . 849 . 1 1 2 . CB C 30.080 42.496 2.494 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 9 . 850 . 1 1 2 . CD C 29.644 42.494 0.069 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 9 . 851 . 1 1 2 . CE C 29.573 43.267 -1.249 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 9 . 852 . 1 1 2 . CG C 30.399 43.207 1.180 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 9 . 853 . 1 1 2 . H H 29.774 44.416 4.825 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 9 . 854 . 1 1 2 . HA H 31.875 42.703 3.694 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 9 . 855 . 1 1 2 . HB2 H 29.007 42.483 2.677 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 9 . 856 . 1 1 2 . HB3 H 30.444 41.475 2.433 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 9 . 857 . 1 1 2 . HD2 H 28.639 42.260 0.423 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 9 . 858 . 1 1 2 . HD3 H 30.254 41.615 -0.122 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 9 . 859 . 1 1 2 . HE2 H 30.529 43.767 -1.385 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 9 . 860 . 1 1 2 . HE3 H 28.807 44.038 -1.133 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 9 . 861 . 1 1 2 . HG2 H 31.450 43.113 0.933 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 9 . 862 . 1 1 2 . HG3 H 30.091 44.251 1.275 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 9 . 863 . 1 1 2 . HZ1 H 28.306 41.914 -2.154 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 9 . 864 . 1 1 2 . HZ2 H 29.851 41.595 -2.546 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 9 . 865 . 1 1 2 . HZ3 H 28.964 42.953 -3.091 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 9 . 866 . 1 1 2 . N N 30.508 44.179 4.183 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 9 . 867 . 1 1 2 . NZ N 29.212 42.340 -2.330 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 9 . 868 . 1 1 2 . O O 31.044 40.913 5.315 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 9 . 869 . 1 1 3 ASN C C 27.174 41.637 6.808 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 9 . 870 . 1 1 3 ASN CA C 28.683 41.809 6.794 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 9 . 871 . 1 1 3 ASN CB C 29.254 42.789 7.823 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 9 . 872 . 1 1 3 ASN CG C 30.631 42.334 8.293 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 9 . 873 . 1 1 3 ASN H H 28.688 42.949 5.092 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 9 . 874 . 1 1 3 ASN HA H 29.075 40.808 6.982 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 9 . 875 . 1 1 3 ASN HB2 H 29.391 43.716 7.267 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 9 . 876 . 1 1 3 ASN HB3 H 28.547 43.049 8.609 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 9 . 877 . 1 1 3 ASN HD21 H 29.854 40.739 9.247 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 9 . 878 . 1 1 3 ASN HD22 H 31.554 40.948 9.503 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 9 . 879 . 1 1 3 ASN N N 29.198 42.181 5.490 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 9 . 880 . 1 1 3 ASN ND2 N 30.720 41.196 8.983 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 9 . 881 . 1 1 3 ASN O O 26.540 41.565 5.750 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 9 . 882 . 1 1 3 ASN OD1 O 31.634 42.951 7.952 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 9 . 883 . 1 1 4 ASP C C 24.231 42.301 7.179 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 9 . 884 . 1 1 4 ASP CA C 25.078 41.417 8.078 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 9 . 885 . 1 1 4 ASP CB C 24.741 41.631 9.553 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 9 . 886 . 1 1 4 ASP CG C 23.267 41.351 9.834 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 9 . 887 . 1 1 4 ASP H H 27.067 41.685 8.791 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 9 . 888 . 1 1 4 ASP HA H 24.818 40.387 7.839 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 9 . 889 . 1 1 4 ASP HB2 H 25.392 41.145 10.282 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 9 . 890 . 1 1 4 ASP HB3 H 24.914 42.695 9.708 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 9 . 891 . 1 1 4 ASP N N 26.496 41.664 7.959 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 9 . 892 . 1 1 4 ASP O O 24.463 43.501 7.200 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 9 . 893 . 1 1 4 ASP OD1 O 22.959 41.348 11.045 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 9 . 894 . 1 1 4 ASP OD2 O 22.383 41.250 8.952 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 9 . 895 . 1 1 5 THR C C 23.287 43.208 4.312 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 9 . 896 . 1 1 5 THR CA C 22.591 42.340 5.342 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 9 . 897 . 1 1 5 THR CB C 21.489 43.104 6.074 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 9 . 898 . 1 1 5 THR CG2 C 20.415 43.617 5.125 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 9 . 899 . 1 1 5 THR H H 23.245 40.679 6.328 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 9 . 900 . 1 1 5 THR HA H 22.092 41.589 4.737 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 9 . 901 . 1 1 5 THR HB H 21.900 43.889 6.713 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 9 . 902 . 1 1 5 THR HG1 H 21.574 41.810 7.496 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 9 . 903 . 1 1 5 THR HG21 H 19.562 43.977 5.691 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 9 . 904 . 1 1 5 THR HG22 H 20.123 42.839 4.411 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 9 . 905 . 1 1 5 THR HG23 H 20.784 44.475 4.565 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 9 . 906 . 1 1 5 THR N N 23.472 41.656 6.277 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 9 . 907 . 1 1 5 THR O O 22.621 43.712 3.420 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 9 . 908 . 1 1 5 THR OG1 O 20.885 42.142 6.909 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 9 . 909 . 1 1 6 . C C 26.477 44.739 3.724 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 9 . 910 . 1 1 6 . CA C 25.406 43.793 3.189 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 9 . 911 . 1 1 6 . CB C 25.992 42.582 2.462 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 9 . 912 . 1 1 6 . CG C 24.928 41.760 1.770 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 9 . 913 . 1 1 6 . H H 25.106 43.053 5.152 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 9 . 914 . 1 1 6 . HA H 24.732 44.230 2.459 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 9 . 915 . 1 1 6 . HB2 H 26.512 41.951 3.175 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 9 . 916 . 1 1 6 . HB3 H 26.703 42.960 1.721 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 9 . 917 . 1 1 6 . HD21 H 24.243 40.749 3.469 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 9 . 918 . 1 1 6 . HD22 H 23.554 40.354 1.906 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 9 . 919 . 1 1 6 . N N 24.621 43.340 4.312 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 9 . 920 . 1 1 6 . ND2 N 24.187 40.894 2.461 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 9 . 921 . 1 1 6 . O O 27.500 44.277 4.221 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 9 . 922 . 1 1 6 . OD1 O 24.703 41.851 0.558 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 9 . 923 . 1 1 7 DPR C C 28.566 46.872 3.904 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 9 . 924 . 1 1 7 DPR CA C 27.132 47.008 4.385 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 9 . 925 . 1 1 7 DPR CB C 26.538 48.378 4.059 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 9 . 926 . 1 1 7 DPR CD C 25.216 46.749 3.013 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 9 . 927 . 1 1 7 DPR CG C 25.077 48.131 3.661 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 9 . 928 . 1 1 7 DPR HA H 27.104 46.918 5.466 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 9 . 929 . 1 1 7 DPR HB2 H 26.977 48.859 3.191 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 9 . 930 . 1 1 7 DPR HB3 H 26.736 49.028 4.917 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 9 . 931 . 1 1 7 DPR HD2 H 25.632 46.826 2.010 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 9 . 932 . 1 1 7 DPR HD3 H 24.278 46.189 3.088 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 9 . 933 . 1 1 7 DPR HG2 H 24.751 48.926 2.994 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 9 . 934 . 1 1 7 DPR HG3 H 24.457 48.111 4.557 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 9 . 935 . 1 1 7 DPR N N 26.224 46.048 3.792 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 9 . 936 . 1 1 7 DPR O O 28.835 46.692 2.711 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 10 . 937 . 1 1 1 THR C C 31.045 45.389 5.011 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 10 . 938 . 1 1 1 THR CA C 30.368 46.710 5.366 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 10 . 939 . 1 1 1 THR CB C 30.737 47.234 6.750 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 10 . 940 . 1 1 1 THR CG2 C 29.970 48.475 7.210 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 10 . 941 . 1 1 1 THR H1 H 28.251 46.640 5.905 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 10 . 942 . 1 1 1 THR HA H 30.824 47.462 4.726 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 10 . 943 . 1 1 1 THR HB H 31.801 47.450 6.828 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 10 . 944 . 1 1 1 THR HG1 H 30.531 46.491 8.532 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 10 . 945 . 1 1 1 THR HG21 H 30.155 49.376 6.630 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 10 . 946 . 1 1 1 THR HG22 H 30.303 48.725 8.226 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 10 . 947 . 1 1 1 THR HG23 H 28.903 48.265 7.174 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 10 . 948 . 1 1 1 THR N N 28.935 46.746 5.163 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 10 . 949 . 1 1 1 THR O O 32.273 45.449 4.900 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 10 . 950 . 1 1 1 THR OG1 O 30.361 46.197 7.630 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 10 . 951 . 1 1 2 . C C 30.016 41.886 4.425 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 10 . 952 . 1 1 2 . CA C 30.897 43.089 4.122 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 10 . 953 . 1 1 2 . CB C 31.091 43.286 2.624 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 10 . 954 . 1 1 2 . CD C 33.097 41.718 2.160 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 10 . 955 . 1 1 2 . CE C 33.486 40.516 1.301 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 10 . 956 . 1 1 2 . CG C 31.728 42.233 1.725 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 10 . 957 . 1 1 2 . H H 29.343 44.353 4.791 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 10 . 958 . 1 1 2 . HA H 31.865 42.979 4.606 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 10 . 959 . 1 1 2 . HB2 H 31.700 44.183 2.535 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 10 . 960 . 1 1 2 . HB3 H 30.076 43.502 2.262 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 10 . 961 . 1 1 2 . HD2 H 32.972 41.344 3.176 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 10 . 962 . 1 1 2 . HD3 H 33.944 42.413 2.147 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 10 . 963 . 1 1 2 . HE2 H 32.570 40.097 0.873 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 10 . 964 . 1 1 2 . HE3 H 33.895 39.755 1.967 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 10 . 965 . 1 1 2 . HG2 H 31.883 42.794 0.796 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 10 . 966 . 1 1 2 . HG3 H 31.061 41.395 1.526 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 10 . 967 . 1 1 2 . HZ1 H 35.411 41.250 0.886 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 10 . 968 . 1 1 2 . HZ2 H 34.341 41.635 -0.250 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 10 . 969 . 1 1 2 . HZ3 H 34.872 40.167 -0.197 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 10 . 970 . 1 1 2 . N N 30.346 44.291 4.709 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 10 . 971 . 1 1 2 . NZ N 34.583 40.911 0.417 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 10 . 972 . 1 1 2 . O O 29.789 41.025 3.578 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 10 . 973 . 1 1 3 ASN C C 27.061 41.105 6.291 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 10 . 974 . 1 1 3 ASN CA C 28.483 40.712 5.933 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 10 . 975 . 1 1 3 ASN CB C 29.058 39.983 7.148 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 10 . 976 . 1 1 3 ASN CG C 30.394 39.289 6.962 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 10 . 977 . 1 1 3 ASN H H 29.458 42.603 6.207 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 10 . 978 . 1 1 3 ASN HA H 28.442 39.926 5.176 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 10 . 979 . 1 1 3 ASN HB2 H 29.092 40.671 7.993 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 10 . 980 . 1 1 3 ASN HB3 H 28.341 39.226 7.470 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 10 . 981 . 1 1 3 ASN HD21 H 29.548 37.473 6.565 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 10 . 982 . 1 1 3 ASN HD22 H 31.232 37.432 6.683 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 10 . 983 . 1 1 3 ASN N N 29.389 41.809 5.600 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 10 . 984 . 1 1 3 ASN ND2 N 30.406 38.007 6.616 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 10 . 985 . 1 1 3 ASN O O 26.154 40.549 5.671 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 10 . 986 . 1 1 3 ASN OD1 O 31.449 39.887 7.185 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 10 . 987 . 1 1 4 ASP C C 24.694 43.033 7.275 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 10 . 988 . 1 1 4 ASP CA C 25.568 42.027 8.015 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 10 . 989 . 1 1 4 ASP CB C 25.658 42.440 9.479 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 10 . 990 . 1 1 4 ASP CG C 24.327 42.526 10.234 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 10 . 991 . 1 1 4 ASP H H 27.631 42.390 7.738 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 10 . 992 . 1 1 4 ASP HA H 25.141 41.026 8.022 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 10 . 993 . 1 1 4 ASP HB2 H 26.305 41.710 9.952 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 10 . 994 . 1 1 4 ASP HB3 H 26.156 43.406 9.434 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 10 . 995 . 1 1 4 ASP N N 26.843 41.895 7.342 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 10 . 996 . 1 1 4 ASP O O 25.076 44.184 7.080 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 10 . 997 . 1 1 4 ASP OD1 O 24.337 43.039 11.365 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 10 . 998 . 1 1 4 ASP OD2 O 23.343 41.928 9.751 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 10 . 999 . 1 1 5 THR C C 23.413 43.194 4.323 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 10 . 1000 . 1 1 5 THR CA C 22.758 43.168 5.695 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 10 . 1001 . 1 1 5 THR CB C 22.039 44.487 5.938 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 10 . 1002 . 1 1 5 THR CG2 C 21.242 44.445 7.243 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 10 . 1003 . 1 1 5 THR H H 23.249 41.652 7.048 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 10 . 1004 . 1 1 5 THR HA H 21.916 42.469 5.616 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 10 . 1005 . 1 1 5 THR HB H 21.334 44.689 5.138 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 10 . 1006 . 1 1 5 THR HG1 H 23.796 45.131 6.416 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 10 . 1007 . 1 1 5 THR HG21 H 20.976 45.461 7.518 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 10 . 1008 . 1 1 5 THR HG22 H 21.729 43.879 8.034 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 10 . 1009 . 1 1 5 THR HG23 H 20.293 43.968 6.987 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 10 . 1010 . 1 1 5 THR N N 23.564 42.562 6.737 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 10 . 1011 . 1 1 5 THR O O 22.742 43.537 3.359 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 10 . 1012 . 1 1 5 THR OG1 O 22.983 45.523 6.092 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 10 . 1013 . 1 1 6 . C C 26.503 44.358 3.614 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 10 . 1014 . 1 1 6 . CA C 25.571 43.261 3.126 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 10 . 1015 . 1 1 6 . CB C 26.290 42.003 2.635 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 10 . 1016 . 1 1 6 . CG C 25.470 40.829 2.126 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 10 . 1017 . 1 1 6 . H H 25.120 42.660 5.115 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 10 . 1018 . 1 1 6 . HA H 24.977 43.655 2.296 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 10 . 1019 . 1 1 6 . HB2 H 27.051 41.573 3.291 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 10 . 1020 . 1 1 6 . HB3 H 26.922 42.272 1.789 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 10 . 1021 . 1 1 6 . HD21 H 25.361 39.904 3.925 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 10 . 1022 . 1 1 6 . HD22 H 24.534 39.124 2.601 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 10 . 1023 . 1 1 6 . N N 24.704 42.850 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 10 . 1024 . 1 1 6 . ND2 N 25.209 39.800 2.929 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 10 . 1025 . 1 1 6 . O O 27.423 44.074 4.382 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 10 . 1026 . 1 1 6 . OD1 O 25.057 40.743 0.960 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 10 . 1027 . 1 1 7 DPR C C 28.426 46.781 3.933 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 10 . 1028 . 1 1 7 DPR CA C 26.904 46.752 3.834 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 10 . 1029 . 1 1 7 DPR CB C 26.386 47.989 3.108 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 10 . 1030 . 1 1 7 DPR CD C 25.609 46.009 1.981 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 10 . 1031 . 1 1 7 DPR CG C 26.008 47.454 1.725 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 10 . 1032 . 1 1 7 DPR HA H 26.514 46.711 4.843 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 10 . 1033 . 1 1 7 DPR HB2 H 27.133 48.777 2.999 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 10 . 1034 . 1 1 7 DPR HB3 H 25.479 48.384 3.568 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 10 . 1035 . 1 1 7 DPR HD2 H 25.815 45.342 1.139 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 10 . 1036 . 1 1 7 DPR HD3 H 24.552 45.872 2.221 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 10 . 1037 . 1 1 7 DPR HG2 H 26.895 47.484 1.092 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 10 . 1038 . 1 1 7 DPR HG3 H 25.171 48.035 1.318 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 10 . 1039 . 1 1 7 DPR N N 26.375 45.596 3.145 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 10 . 1040 . 1 1 7 DPR O O 29.053 47.029 2.910 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 11 . 1041 . 1 1 1 THR C C 30.930 45.033 4.660 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 11 . 1042 . 1 1 1 THR CA C 30.536 46.413 5.164 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 11 . 1043 . 1 1 1 THR CB C 31.120 46.653 6.555 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 11 . 1044 . 1 1 1 THR CG2 C 31.143 48.169 6.779 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 11 . 1045 . 1 1 1 THR H1 H 28.605 46.606 5.858 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 11 . 1046 . 1 1 1 THR HA H 30.999 47.132 4.475 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 11 . 1047 . 1 1 1 THR HB H 32.140 46.254 6.519 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 11 . 1048 . 1 1 1 THR HG1 H 30.936 45.396 8.008 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 11 . 1049 . 1 1 1 THR HG21 H 30.220 48.656 6.458 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 11 . 1050 . 1 1 1 THR HG22 H 31.898 48.693 6.194 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 11 . 1051 . 1 1 1 THR HG23 H 31.185 48.390 7.849 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 11 . 1052 . 1 1 1 THR N N 29.124 46.689 4.992 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 11 . 1053 . 1 1 1 THR O O 32.101 44.750 4.444 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 11 . 1054 . 1 1 1 THR OG1 O 30.348 45.974 7.520 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 11 . 1055 . 1 1 2 . C C 29.398 41.855 4.658 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 11 . 1056 . 1 1 2 . CA C 30.230 42.852 3.857 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 11 . 1057 . 1 1 2 . CB C 30.012 42.779 2.344 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 11 . 1058 . 1 1 2 . CD C 32.462 43.155 1.622 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 11 . 1059 . 1 1 2 . CE C 33.428 43.676 0.556 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 11 . 1060 . 1 1 2 . CG C 31.011 43.606 1.523 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 11 . 1061 . 1 1 2 . H H 28.988 44.494 4.413 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 11 . 1062 . 1 1 2 . HA H 31.265 42.685 4.161 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 11 . 1063 . 1 1 2 . HB2 H 28.969 43.060 2.196 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 11 . 1064 . 1 1 2 . HB3 H 30.272 41.745 2.108 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 11 . 1065 . 1 1 2 . HD2 H 32.451 42.059 1.516 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 11 . 1066 . 1 1 2 . HD3 H 32.765 43.321 2.661 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 11 . 1067 . 1 1 2 . HE2 H 33.664 44.724 0.742 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 11 . 1068 . 1 1 2 . HE3 H 32.951 43.566 -0.417 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 11 . 1069 . 1 1 2 . HG2 H 31.033 44.622 1.933 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 11 . 1070 . 1 1 2 . HG3 H 30.627 43.527 0.513 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 11 . 1071 . 1 1 2 . HZ1 H 35.201 43.085 -0.418 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 11 . 1072 . 1 1 2 . HZ2 H 34.510 41.972 0.640 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 11 . 1073 . 1 1 2 . HZ3 H 35.287 43.228 1.219 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 11 . 1074 . 1 1 2 . N N 29.949 44.191 4.347 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 11 . 1075 . 1 1 2 . NZ N 34.695 42.936 0.445 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 11 . 1076 . 1 1 2 . O O 28.953 40.848 4.115 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 11 . 1077 . 1 1 3 ASN C C 27.765 40.536 7.281 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 11 . 1078 . 1 1 3 ASN CA C 29.191 40.871 6.872 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 11 . 1079 . 1 1 3 ASN CB C 30.218 40.885 8.011 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 11 . 1080 . 1 1 3 ASN CG C 30.406 39.553 8.721 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 11 . 1081 . 1 1 3 ASN H H 29.609 42.886 6.396 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 11 . 1082 . 1 1 3 ASN HA H 29.531 40.015 6.287 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 11 . 1083 . 1 1 3 ASN HB2 H 31.174 41.248 7.630 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 11 . 1084 . 1 1 3 ASN HB3 H 29.775 41.584 8.721 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 11 . 1085 . 1 1 3 ASN HD21 H 30.085 40.206 10.615 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 11 . 1086 . 1 1 3 ASN HD22 H 30.387 38.594 10.444 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 11 . 1087 . 1 1 3 ASN N N 29.359 41.998 5.985 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 11 . 1088 . 1 1 3 ASN ND2 N 30.543 39.510 10.044 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 11 . 1089 . 1 1 3 ASN O O 27.392 39.399 7.541 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 11 . 1090 . 1 1 3 ASN OD1 O 30.580 38.485 8.141 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 11 . 1091 . 1 1 4 ASP C C 24.817 42.699 7.128 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 11 . 1092 . 1 1 4 ASP CA C 25.566 41.619 7.903 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 11 . 1093 . 1 1 4 ASP CB C 25.686 42.094 9.344 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 11 . 1094 . 1 1 4 ASP CG C 24.351 42.378 10.027 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 11 . 1095 . 1 1 4 ASP H H 27.359 42.497 7.515 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 11 . 1096 . 1 1 4 ASP HA H 25.136 40.618 7.840 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 11 . 1097 . 1 1 4 ASP HB2 H 26.306 41.342 9.829 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 11 . 1098 . 1 1 4 ASP HB3 H 26.248 43.029 9.390 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 11 . 1099 . 1 1 4 ASP N N 26.953 41.579 7.470 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 11 . 1100 . 1 1 4 ASP O O 25.121 43.885 7.097 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 11 . 1101 . 1 1 4 ASP OD1 O 23.278 42.184 9.422 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 11 . 1102 . 1 1 4 ASP OD2 O 24.388 42.637 11.250 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 11 . 1103 . 1 1 5 THR C C 23.450 43.809 4.503 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 11 . 1104 . 1 1 5 THR CA C 22.826 42.973 5.615 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 11 . 1105 . 1 1 5 THR CB C 21.808 43.728 6.461 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 11 . 1106 . 1 1 5 THR CG2 C 20.507 44.045 5.728 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 11 . 1107 . 1 1 5 THR H H 23.680 41.238 6.578 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 11 . 1108 . 1 1 5 THR HA H 22.259 42.217 5.073 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 11 . 1109 . 1 1 5 THR HB H 22.332 44.648 6.742 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 11 . 1110 . 1 1 5 THR HG1 H 22.225 42.701 8.044 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 11 . 1111 . 1 1 5 THR HG21 H 19.847 43.192 5.654 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 11 . 1112 . 1 1 5 THR HG22 H 20.767 44.395 4.727 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 11 . 1113 . 1 1 5 THR HG23 H 19.934 44.817 6.245 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 11 . 1114 . 1 1 5 THR N N 23.732 42.246 6.494 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 11 . 1115 . 1 1 5 THR O O 23.043 44.936 4.223 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 11 . 1116 . 1 1 5 THR OG1 O 21.428 42.993 7.604 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 11 . 1117 . 1 1 6 . C C 26.249 44.794 3.482 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 11 . 1118 . 1 1 6 . CA C 25.248 43.879 2.796 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 11 . 1119 . 1 1 6 . CB C 25.933 42.779 1.993 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 11 . 1120 . 1 1 6 . CG C 24.919 41.946 1.224 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 11 . 1121 . 1 1 6 . H H 24.837 42.375 4.136 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 11 . 1122 . 1 1 6 . HA H 24.684 44.474 2.071 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 11 . 1123 . 1 1 6 . HB2 H 26.549 42.118 2.597 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 11 . 1124 . 1 1 6 . HB3 H 26.513 43.266 1.203 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 11 . 1125 . 1 1 6 . HD21 H 24.989 40.463 2.587 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 11 . 1126 . 1 1 6 . HD22 H 23.981 40.127 1.191 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 11 . 1127 . 1 1 6 . N N 24.435 43.237 3.813 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 11 . 1128 . 1 1 6 . ND2 N 24.639 40.729 1.672 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 11 . 1129 . 1 1 6 . O O 27.071 44.356 4.283 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 11 . 1130 . 1 1 6 . OD1 O 24.349 42.367 0.220 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 11 . 1131 . 1 1 7 DPR C C 28.452 46.839 3.855 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 11 . 1132 . 1 1 7 DPR CA C 26.953 47.113 3.883 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 11 . 1133 . 1 1 7 DPR CB C 26.514 48.458 3.298 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 11 . 1134 . 1 1 7 DPR CD C 25.598 46.678 1.983 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 11 . 1135 . 1 1 7 DPR CG C 26.218 48.075 1.855 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 11 . 1136 . 1 1 7 DPR HA H 26.611 47.036 4.923 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 11 . 1137 . 1 1 7 DPR HB2 H 27.280 49.230 3.329 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 11 . 1138 . 1 1 7 DPR HB3 H 25.656 48.862 3.852 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 11 . 1139 . 1 1 7 DPR HD2 H 25.783 46.070 1.107 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 11 . 1140 . 1 1 7 DPR HD3 H 24.526 46.646 2.153 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 11 . 1141 . 1 1 7 DPR HG2 H 27.164 47.960 1.344 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 11 . 1142 . 1 1 7 DPR HG3 H 25.597 48.858 1.400 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 11 . 1143 . 1 1 7 DPR N N 26.229 46.084 3.156 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 11 . 1144 . 1 1 7 DPR O O 29.042 46.805 2.768 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 12 . 1145 . 1 1 1 THR C C 31.140 45.058 4.238 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 12 . 1146 . 1 1 1 THR CA C 30.705 46.436 4.741 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 12 . 1147 . 1 1 1 THR CB C 31.459 46.776 6.020 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 12 . 1148 . 1 1 1 THR CG2 C 32.955 46.765 5.719 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 12 . 1149 . 1 1 1 THR H1 H 28.895 46.928 5.755 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 12 . 1150 . 1 1 1 THR HA H 31.093 47.102 3.975 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 12 . 1151 . 1 1 1 THR HB H 31.291 46.000 6.764 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 12 . 1152 . 1 1 1 THR HG1 H 31.001 48.609 5.686 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 12 . 1153 . 1 1 1 THR HG21 H 33.330 47.481 6.448 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 12 . 1154 . 1 1 1 THR HG22 H 33.142 47.225 4.746 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 12 . 1155 . 1 1 1 THR HG23 H 33.318 45.742 5.772 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 12 . 1156 . 1 1 1 THR N N 29.279 46.603 4.881 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 12 . 1157 . 1 1 1 THR O O 32.178 44.954 3.592 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 12 . 1158 . 1 1 1 THR OG1 O 31.092 48.059 6.464 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 12 . 1159 . 1 1 2 . C C 30.237 41.598 5.019 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 12 . 1160 . 1 1 2 . CA C 30.405 42.733 4.016 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 12 . 1161 . 1 1 2 . CB C 29.281 42.564 2.998 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 12 . 1162 . 1 1 2 . CD C 30.480 42.854 0.737 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 12 . 1163 . 1 1 2 . CE C 30.438 43.500 -0.641 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 12 . 1164 . 1 1 2 . CG C 29.394 43.340 1.690 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 12 . 1165 . 1 1 2 . H H 29.646 44.206 5.307 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 12 . 1166 . 1 1 2 . HA H 31.432 42.692 3.637 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 12 . 1167 . 1 1 2 . HB2 H 28.405 42.893 3.560 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 12 . 1168 . 1 1 2 . HB3 H 29.131 41.520 2.738 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 12 . 1169 . 1 1 2 . HD2 H 30.318 41.782 0.650 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 12 . 1170 . 1 1 2 . HD3 H 31.469 43.103 1.120 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 12 . 1171 . 1 1 2 . HE2 H 30.115 44.543 -0.599 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 12 . 1172 . 1 1 2 . HE3 H 29.683 42.957 -1.208 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 12 . 1173 . 1 1 2 . HG2 H 29.495 44.400 1.920 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 12 . 1174 . 1 1 2 . HG3 H 28.468 43.234 1.120 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 12 . 1175 . 1 1 2 . HZ1 H 31.710 43.611 -2.358 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 12 . 1176 . 1 1 2 . HZ2 H 31.935 42.441 -1.172 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 12 . 1177 . 1 1 2 . HZ3 H 32.316 43.988 -0.825 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 12 . 1178 . 1 1 2 . N N 30.400 44.033 4.667 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 12 . 1179 . 1 1 2 . NZ N 31.713 43.400 -1.378 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 12 . 1180 . 1 1 2 . O O 30.621 40.451 4.811 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 12 . 1181 . 1 1 3 ASN C C 27.842 40.672 7.483 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 12 . 1182 . 1 1 3 ASN CA C 29.332 40.855 7.214 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 12 . 1183 . 1 1 3 ASN CB C 30.080 41.290 8.475 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 12 . 1184 . 1 1 3 ASN CG C 31.558 41.362 8.122 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 12 . 1185 . 1 1 3 ASN H H 29.452 42.808 6.360 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 12 . 1186 . 1 1 3 ASN HA H 29.756 39.899 6.897 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 12 . 1187 . 1 1 3 ASN HB2 H 29.747 42.246 8.879 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 12 . 1188 . 1 1 3 ASN HB3 H 29.929 40.479 9.185 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 12 . 1189 . 1 1 3 ASN HD21 H 31.869 39.303 7.775 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 12 . 1190 . 1 1 3 ASN HD22 H 33.142 40.408 7.424 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 12 . 1191 . 1 1 3 ASN N N 29.623 41.823 6.179 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 12 . 1192 . 1 1 3 ASN ND2 N 32.219 40.241 7.800 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 12 . 1193 . 1 1 3 ASN O O 27.380 39.614 7.927 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 12 . 1194 . 1 1 3 ASN OD1 O 32.108 42.457 8.039 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 12 . 1195 . 1 1 4 ASP C C 24.672 42.528 6.905 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 12 . 1196 . 1 1 4 ASP CA C 25.561 41.590 7.715 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 12 . 1197 . 1 1 4 ASP CB C 25.208 41.948 9.156 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 12 . 1198 . 1 1 4 ASP CG C 23.735 41.868 9.540 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 12 . 1199 . 1 1 4 ASP H H 27.322 42.551 7.044 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 12 . 1200 . 1 1 4 ASP HA H 25.206 40.563 7.587 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 12 . 1201 . 1 1 4 ASP HB2 H 25.795 41.329 9.828 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 12 . 1202 . 1 1 4 ASP HB3 H 25.449 42.977 9.412 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 12 . 1203 . 1 1 4 ASP N N 26.985 41.689 7.457 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 12 . 1204 . 1 1 4 ASP O O 24.765 43.757 6.900 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 12 . 1205 . 1 1 4 ASP OD1 O 23.055 40.982 8.989 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 12 . 1206 . 1 1 4 ASP OD2 O 23.339 42.506 10.534 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 12 . 1207 . 1 1 5 THR C C 23.142 43.628 4.415 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 12 . 1208 . 1 1 5 THR CA C 22.611 42.641 5.442 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 12 . 1209 . 1 1 5 THR CB C 21.605 43.155 6.473 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 12 . 1210 . 1 1 5 THR CG2 C 20.202 43.582 6.066 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 12 . 1211 . 1 1 5 THR H H 23.645 41.016 6.357 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 12 . 1212 . 1 1 5 THR HA H 22.016 41.918 4.890 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 12 . 1213 . 1 1 5 THR HB H 22.128 43.972 6.979 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 12 . 1214 . 1 1 5 THR HG1 H 22.104 41.801 7.841 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 12 . 1215 . 1 1 5 THR HG21 H 19.556 42.752 5.781 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 12 . 1216 . 1 1 5 THR HG22 H 20.216 44.333 5.282 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 12 . 1217 . 1 1 5 THR HG23 H 19.801 44.129 6.919 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 12 . 1218 . 1 1 5 THR N N 23.622 42.023 6.273 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 12 . 1219 . 1 1 5 THR O O 22.535 44.632 4.072 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 12 . 1220 . 1 1 5 THR OG1 O 21.311 42.178 7.447 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 12 . 1221 . 1 1 6 . C C 25.963 45.078 3.630 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 12 . 1222 . 1 1 6 . CA C 24.922 44.263 2.871 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 12 . 1223 . 1 1 6 . CB C 25.512 43.564 1.651 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 12 . 1224 . 1 1 6 . CG C 24.500 42.575 1.103 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 12 . 1225 . 1 1 6 . H H 24.883 42.574 4.122 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 12 . 1226 . 1 1 6 . HA H 24.114 44.874 2.494 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 12 . 1227 . 1 1 6 . HB2 H 26.385 42.998 1.991 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 12 . 1228 . 1 1 6 . HB3 H 25.609 44.285 0.837 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 12 . 1229 . 1 1 6 . HD21 H 25.009 41.148 2.485 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 12 . 1230 . 1 1 6 . HD22 H 23.617 40.797 1.456 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 12 . 1231 . 1 1 6 . N N 24.311 43.357 3.827 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 12 . 1232 . 1 1 6 . ND2 N 24.354 41.420 1.756 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 12 . 1233 . 1 1 6 . O O 26.711 44.520 4.437 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 12 . 1234 . 1 1 6 . OD1 O 23.819 42.789 0.103 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 12 . 1235 . 1 1 7 DPR C C 28.479 46.843 3.832 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 12 . 1236 . 1 1 7 DPR CA C 27.014 47.202 4.091 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 12 . 1237 . 1 1 7 DPR CB C 26.816 48.642 3.626 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 12 . 1238 . 1 1 7 DPR CD C 25.343 47.240 2.454 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 12 . 1239 . 1 1 7 DPR CG C 25.417 48.655 3.017 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 12 . 1240 . 1 1 7 DPR HA H 26.764 47.116 5.150 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 12 . 1241 . 1 1 7 DPR HB2 H 27.497 48.937 2.829 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 12 . 1242 . 1 1 7 DPR HB3 H 26.884 49.348 4.454 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 12 . 1243 . 1 1 7 DPR HD2 H 25.837 47.195 1.483 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 12 . 1244 . 1 1 7 DPR HD3 H 24.302 46.951 2.341 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 12 . 1245 . 1 1 7 DPR HG2 H 25.358 49.395 2.217 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 12 . 1246 . 1 1 7 DPR HG3 H 24.672 48.938 3.756 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 12 . 1247 . 1 1 7 DPR N N 26.071 46.382 3.375 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 12 . 1248 . 1 1 7 DPR O O 28.951 46.849 2.702 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 13 . 1249 . 1 1 1 THR C C 31.030 45.326 5.160 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 13 . 1250 . 1 1 1 THR CA C 30.406 46.636 5.614 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 13 . 1251 . 1 1 1 THR CB C 30.573 46.818 7.124 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 13 . 1252 . 1 1 1 THR CG2 C 30.134 48.163 7.673 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 13 . 1253 . 1 1 1 THR H1 H 28.348 46.697 5.970 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 13 . 1254 . 1 1 1 THR HA H 30.966 47.463 5.177 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 13 . 1255 . 1 1 1 THR HB H 31.606 46.711 7.448 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 13 . 1256 . 1 1 1 THR HG1 H 28.969 45.930 7.698 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 13 . 1257 . 1 1 1 THR HG21 H 30.803 48.975 7.388 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 13 . 1258 . 1 1 1 THR HG22 H 30.331 48.150 8.746 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 13 . 1259 . 1 1 1 THR HG23 H 29.138 48.482 7.364 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 13 . 1260 . 1 1 1 THR N N 29.023 46.779 5.227 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 13 . 1261 . 1 1 1 THR O O 32.241 45.154 5.045 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 13 . 1262 . 1 1 1 THR OG1 O 29.903 45.834 7.893 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 13 . 1263 . 1 1 2 . C C 29.940 41.862 4.275 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 13 . 1264 . 1 1 2 . CA C 30.697 43.147 3.992 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 13 . 1265 . 1 1 2 . CB C 30.636 43.498 2.510 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 13 . 1266 . 1 1 2 . CD C 33.214 43.715 2.081 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 13 . 1267 . 1 1 2 . CE C 34.149 44.715 1.411 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 13 . 1268 . 1 1 2 . CG C 31.801 44.282 1.915 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 13 . 1269 . 1 1 2 . H H 29.280 44.423 4.920 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 13 . 1270 . 1 1 2 . HA H 31.744 42.938 4.180 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 13 . 1271 . 1 1 2 . HB2 H 29.671 43.930 2.250 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 13 . 1272 . 1 1 2 . HB3 H 30.729 42.526 2.023 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 13 . 1273 . 1 1 2 . HD2 H 33.348 42.751 1.598 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 13 . 1274 . 1 1 2 . HD3 H 33.515 43.692 3.126 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 13 . 1275 . 1 1 2 . HE2 H 33.936 45.674 1.892 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 13 . 1276 . 1 1 2 . HE3 H 33.826 44.888 0.387 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 13 . 1277 . 1 1 2 . HG2 H 31.804 45.283 2.358 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 13 . 1278 . 1 1 2 . HG3 H 31.668 44.424 0.846 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 13 . 1279 . 1 1 2 . HZ1 H 35.876 43.605 0.947 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 13 . 1280 . 1 1 2 . HZ2 H 35.738 43.970 2.521 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 13 . 1281 . 1 1 2 . HZ3 H 36.112 45.156 1.505 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 13 . 1282 . 1 1 2 . N N 30.270 44.294 4.785 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 13 . 1283 . 1 1 2 . NZ N 35.558 44.311 1.588 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 13 . 1284 . 1 1 2 . O O 30.003 40.880 3.539 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 13 . 1285 . 1 1 3 ASN C C 27.045 41.153 6.330 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 13 . 1286 . 1 1 3 ASN CA C 28.428 40.712 5.881 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 13 . 1287 . 1 1 3 ASN CB C 29.041 39.822 6.957 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 13 . 1288 . 1 1 3 ASN CG C 30.440 39.273 6.693 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 13 . 1289 . 1 1 3 ASN H H 29.332 42.680 5.948 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 13 . 1290 . 1 1 3 ASN HA H 28.227 40.026 5.065 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 13 . 1291 . 1 1 3 ASN HB2 H 29.089 40.317 7.929 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 13 . 1292 . 1 1 3 ASN HB3 H 28.377 38.965 6.905 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 13 . 1293 . 1 1 3 ASN HD21 H 29.879 38.441 4.923 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 13 . 1294 . 1 1 3 ASN HD22 H 31.557 38.290 5.258 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 13 . 1295 . 1 1 3 ASN N N 29.249 41.822 5.419 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 13 . 1296 . 1 1 3 ASN ND2 N 30.649 38.636 5.535 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 13 . 1297 . 1 1 3 ASN O O 26.077 40.743 5.694 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 13 . 1298 . 1 1 3 ASN OD1 O 31.341 39.194 7.520 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 13 . 1299 . 1 1 4 ASP C C 24.864 43.169 7.094 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 13 . 1300 . 1 1 4 ASP CA C 25.687 42.289 8.018 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 13 . 1301 . 1 1 4 ASP CB C 25.855 42.984 9.364 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 13 . 1302 . 1 1 4 ASP CG C 24.482 43.189 10.001 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 13 . 1303 . 1 1 4 ASP H H 27.826 42.068 7.918 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 13 . 1304 . 1 1 4 ASP HA H 25.185 41.335 8.161 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 13 . 1305 . 1 1 4 ASP HB2 H 26.481 42.370 10.003 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 13 . 1306 . 1 1 4 ASP HB3 H 26.295 43.950 9.138 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 13 . 1307 . 1 1 4 ASP N N 26.958 41.902 7.430 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 13 . 1308 . 1 1 4 ASP O O 25.220 44.276 6.688 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 13 . 1309 . 1 1 4 ASP OD1 O 23.739 42.172 9.996 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 13 . 1310 . 1 1 4 ASP OD2 O 24.195 44.192 10.676 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 13 . 1311 . 1 1 5 THR C C 23.558 43.514 4.568 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 13 . 1312 . 1 1 5 THR CA C 22.795 42.979 5.757 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 13 . 1313 . 1 1 5 THR CB C 21.732 43.986 6.188 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 13 . 1314 . 1 1 5 THR CG2 C 20.361 43.959 5.509 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 13 . 1315 . 1 1 5 THR H H 23.530 41.647 7.192 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 13 . 1316 . 1 1 5 THR HA H 22.362 42.041 5.413 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 13 . 1317 . 1 1 5 THR HB H 22.098 45.011 6.173 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 13 . 1318 . 1 1 5 THR HG1 H 21.375 42.775 7.562 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 13 . 1319 . 1 1 5 THR HG21 H 19.619 44.276 6.244 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 13 . 1320 . 1 1 5 THR HG22 H 20.091 42.950 5.198 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 13 . 1321 . 1 1 5 THR HG23 H 20.357 44.668 4.685 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 13 . 1322 . 1 1 5 THR N N 23.695 42.570 6.812 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 13 . 1323 . 1 1 5 THR O O 23.118 44.457 3.911 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 13 . 1324 . 1 1 5 THR OG1 O 21.420 43.731 7.542 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 13 . 1325 . 1 1 6 . C C 26.451 44.291 3.644 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 13 . 1326 . 1 1 6 . CA C 25.538 43.220 3.076 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 13 . 1327 . 1 1 6 . CB C 26.453 42.078 2.610 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 13 . 1328 . 1 1 6 . CG C 25.679 40.867 2.119 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 13 . 1329 . 1 1 6 . H H 24.934 42.060 4.686 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 13 . 1330 . 1 1 6 . HA H 24.879 43.557 2.283 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 13 . 1331 . 1 1 6 . HB2 H 27.100 41.812 3.441 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 13 . 1332 . 1 1 6 . HB3 H 26.972 42.554 1.784 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 13 . 1333 . 1 1 6 . HD21 H 25.881 40.071 3.854 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 13 . 1334 . 1 1 6 . HD22 H 25.056 39.021 2.687 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 13 . 1335 . 1 1 6 . N N 24.599 42.819 4.104 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 13 . 1336 . 1 1 6 . ND2 N 25.665 39.795 2.907 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 13 . 1337 . 1 1 6 . O O 27.333 44.028 4.461 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 13 . 1338 . 1 1 6 . OD1 O 25.158 40.905 1.006 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 13 . 1339 . 1 1 7 DPR C C 28.503 46.772 3.999 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 13 . 1340 . 1 1 7 DPR CA C 26.999 46.737 3.752 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 13 . 1341 . 1 1 7 DPR CB C 26.411 47.939 3.014 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 13 . 1342 . 1 1 7 DPR CD C 25.796 45.913 1.945 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 13 . 1343 . 1 1 7 DPR CG C 25.336 47.360 2.098 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 13 . 1344 . 1 1 7 DPR HA H 26.551 46.849 4.748 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 13 . 1345 . 1 1 7 DPR HB2 H 27.192 48.332 2.365 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 13 . 1346 . 1 1 7 DPR HB3 H 26.133 48.814 3.606 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 13 . 1347 . 1 1 7 DPR HD2 H 26.360 45.697 1.030 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 13 . 1348 . 1 1 7 DPR HD3 H 24.832 45.403 1.919 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 13 . 1349 . 1 1 7 DPR HG2 H 25.207 47.913 1.173 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 13 . 1350 . 1 1 7 DPR HG3 H 24.402 47.257 2.656 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 13 . 1351 . 1 1 7 DPR N N 26.548 45.519 3.118 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 13 . 1352 . 1 1 7 DPR O O 29.220 46.805 2.993 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 14 . 1353 . 1 1 1 THR C C 31.121 45.106 4.628 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 14 . 1354 . 1 1 1 THR CA C 30.767 46.529 5.027 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 14 . 1355 . 1 1 1 THR CB C 31.569 46.850 6.277 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 14 . 1356 . 1 1 1 THR CG2 C 31.991 48.319 6.367 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 14 . 1357 . 1 1 1 THR H1 H 28.954 47.002 6.026 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 14 . 1358 . 1 1 1 THR HA H 31.227 47.112 4.224 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 14 . 1359 . 1 1 1 THR HB H 32.508 46.293 6.350 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 14 . 1360 . 1 1 1 THR HG1 H 30.598 47.426 7.885 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 14 . 1361 . 1 1 1 THR HG21 H 31.051 48.887 6.360 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 14 . 1362 . 1 1 1 THR HG22 H 32.618 48.677 5.553 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 14 . 1363 . 1 1 1 THR HG23 H 32.520 48.460 7.308 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 14 . 1364 . 1 1 1 THR N N 29.356 46.825 5.112 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 14 . 1365 . 1 1 1 THR O O 32.277 44.710 4.444 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 14 . 1366 . 1 1 1 THR OG1 O 30.714 46.625 7.379 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 14 . 1367 . 1 1 2 . C C 29.636 41.756 4.519 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 14 . 1368 . 1 1 2 . CA C 30.292 42.915 3.776 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 14 . 1369 . 1 1 2 . CB C 29.820 42.977 2.325 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 14 . 1370 . 1 1 2 . CD C 30.320 43.654 -0.082 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 14 . 1371 . 1 1 2 . CE C 30.978 44.584 -1.084 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 14 . 1372 . 1 1 2 . CG C 30.630 43.872 1.395 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 14 . 1373 . 1 1 2 . H H 29.204 44.462 4.634 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 14 . 1374 . 1 1 2 . HA H 31.350 42.703 3.778 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 14 . 1375 . 1 1 2 . HB2 H 28.826 43.427 2.212 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 14 . 1376 . 1 1 2 . HB3 H 29.825 41.957 1.949 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 14 . 1377 . 1 1 2 . HD2 H 29.247 43.822 -0.202 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 14 . 1378 . 1 1 2 . HD3 H 30.564 42.606 -0.305 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 14 . 1379 . 1 1 2 . HE2 H 30.621 45.598 -0.887 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 14 . 1380 . 1 1 2 . HE3 H 30.632 44.379 -2.092 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 14 . 1381 . 1 1 2 . HG2 H 31.670 43.588 1.533 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 14 . 1382 . 1 1 2 . HG3 H 30.465 44.925 1.651 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 14 . 1383 . 1 1 2 . HZ1 H 32.758 45.052 -0.173 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 14 . 1384 . 1 1 2 . HZ2 H 32.902 45.005 -1.768 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 14 . 1385 . 1 1 2 . HZ3 H 32.703 43.569 -1.024 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 14 . 1386 . 1 1 2 . N N 30.157 44.202 4.444 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 14 . 1387 . 1 1 2 . NZ N 32.451 44.551 -0.989 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 14 . 1388 . 1 1 2 . O O 29.271 40.716 3.972 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 14 . 1389 . 1 1 3 ASN C C 27.630 40.868 7.204 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 14 . 1390 . 1 1 3 ASN CA C 29.090 40.912 6.786 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 14 . 1391 . 1 1 3 ASN CB C 29.829 41.242 8.086 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 14 . 1392 . 1 1 3 ASN CG C 31.319 41.228 7.808 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 14 . 1393 . 1 1 3 ASN H H 29.559 42.864 6.170 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 14 . 1394 . 1 1 3 ASN HA H 29.306 39.941 6.345 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 14 . 1395 . 1 1 3 ASN HB2 H 29.509 42.189 8.536 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 14 . 1396 . 1 1 3 ASN HB3 H 29.682 40.435 8.803 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 14 . 1397 . 1 1 3 ASN HD21 H 31.641 42.932 8.892 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 14 . 1398 . 1 1 3 ASN HD22 H 32.994 42.264 7.947 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 14 . 1399 . 1 1 3 ASN N N 29.350 41.942 5.809 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 14 . 1400 . 1 1 3 ASN ND2 N 32.064 42.206 8.342 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 14 . 1401 . 1 1 3 ASN O O 27.163 39.733 7.242 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 14 . 1402 . 1 1 3 ASN OD1 O 31.923 40.294 7.295 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 14 . 1403 . 1 1 4 ASP C C 24.693 42.788 6.950 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 14 . 1404 . 1 1 4 ASP CA C 25.541 41.962 7.916 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 14 . 1405 . 1 1 4 ASP CB C 25.348 42.535 9.317 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 14 . 1406 . 1 1 4 ASP CG C 23.907 42.490 9.791 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 14 . 1407 . 1 1 4 ASP H H 27.412 42.856 7.453 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 14 . 1408 . 1 1 4 ASP HA H 25.170 40.945 7.951 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 14 . 1409 . 1 1 4 ASP HB2 H 26.044 42.022 9.985 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 14 . 1410 . 1 1 4 ASP HB3 H 25.694 43.570 9.264 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 14 . 1411 . 1 1 4 ASP N N 26.939 41.971 7.530 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 14 . 1412 . 1 1 4 ASP O O 25.081 43.915 6.647 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 14 . 1413 . 1 1 4 ASP OD1 O 23.402 43.510 10.303 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 14 . 1414 . 1 1 4 ASP OD2 O 23.340 41.387 9.655 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 14 . 1415 . 1 1 5 THR C C 23.258 43.516 4.266 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 14 . 1416 . 1 1 5 THR CA C 22.692 42.745 5.457 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 14 . 1417 . 1 1 5 THR CB C 21.531 43.417 6.195 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 14 . 1418 . 1 1 5 THR CG2 C 21.929 44.619 7.055 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 14 . 1419 . 1 1 5 THR H H 23.558 41.196 6.587 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 14 . 1420 . 1 1 5 THR HA H 22.284 41.834 5.025 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 14 . 1421 . 1 1 5 THR HB H 20.981 42.705 6.798 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 14 . 1422 . 1 1 5 THR HG1 H 20.805 44.630 4.923 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 14 . 1423 . 1 1 5 THR HG21 H 22.631 44.306 7.834 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 14 . 1424 . 1 1 5 THR HG22 H 20.997 44.923 7.541 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 14 . 1425 . 1 1 5 THR HG23 H 22.378 45.431 6.495 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 14 . 1426 . 1 1 5 THR N N 23.635 42.187 6.395 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 14 . 1427 . 1 1 5 THR O O 22.675 44.448 3.717 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 14 . 1428 . 1 1 5 THR OG1 O 20.478 43.848 5.363 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 14 . 1429 . 1 1 6 . C C 26.286 44.695 3.456 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 14 . 1430 . 1 1 6 . CA C 25.218 43.825 2.792 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 14 . 1431 . 1 1 6 . CB C 25.824 42.886 1.756 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 14 . 1432 . 1 1 6 . CG C 24.816 41.992 1.035 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 14 . 1433 . 1 1 6 . H H 24.923 42.341 4.187 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 14 . 1434 . 1 1 6 . HA H 24.561 44.488 2.234 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 14 . 1435 . 1 1 6 . HB2 H 26.520 42.230 2.283 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 14 . 1436 . 1 1 6 . HB3 H 26.317 43.455 0.974 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 14 . 1437 . 1 1 6 . HD21 H 24.466 40.718 2.662 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 14 . 1438 . 1 1 6 . HD22 H 23.485 40.502 1.289 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 14 . 1439 . 1 1 6 . N N 24.415 43.099 3.753 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 14 . 1440 . 1 1 6 . ND2 N 24.282 40.966 1.700 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 14 . 1441 . 1 1 6 . O O 27.216 44.179 4.057 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 14 . 1442 . 1 1 6 . OD1 O 24.473 42.310 -0.108 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 14 . 1443 . 1 1 7 DPR C C 28.464 46.776 4.122 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 14 . 1444 . 1 1 7 DPR CA C 26.951 46.832 4.337 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 14 . 1445 . 1 1 7 DPR CB C 26.360 48.226 4.185 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 14 . 1446 . 1 1 7 DPR CD C 25.301 46.816 2.595 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 14 . 1447 . 1 1 7 DPR CG C 25.592 48.287 2.870 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 14 . 1448 . 1 1 7 DPR HA H 26.757 46.576 5.376 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 14 . 1449 . 1 1 7 DPR HB2 H 27.222 48.885 4.268 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 14 . 1450 . 1 1 7 DPR HB3 H 25.662 48.421 5.005 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 14 . 1451 . 1 1 7 DPR HD2 H 25.331 46.638 1.524 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 14 . 1452 . 1 1 7 DPR HD3 H 24.324 46.648 3.047 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 14 . 1453 . 1 1 7 DPR HG2 H 26.217 48.820 2.149 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 14 . 1454 . 1 1 7 DPR HG3 H 24.660 48.822 3.042 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 14 . 1455 . 1 1 7 DPR N N 26.256 46.032 3.359 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 14 . 1456 . 1 1 7 DPR O O 28.808 46.749 2.947 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 15 . 1457 . 1 1 1 THR C C 30.852 45.258 5.475 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 15 . 1458 . 1 1 1 THR CA C 30.124 46.577 5.700 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 15 . 1459 . 1 1 1 THR CB C 29.959 46.880 7.188 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 15 . 1460 . 1 1 1 THR CG2 C 29.372 48.252 7.483 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 15 . 1461 . 1 1 1 THR H1 H 28.063 46.655 5.837 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 15 . 1462 . 1 1 1 THR HA H 30.657 47.380 5.207 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 15 . 1463 . 1 1 1 THR HB H 30.961 46.791 7.607 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 15 . 1464 . 1 1 1 THR HG1 H 28.340 46.176 7.854 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 15 . 1465 . 1 1 1 THR HG21 H 29.190 48.334 8.560 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 15 . 1466 . 1 1 1 THR HG22 H 28.435 48.431 6.969 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 15 . 1467 . 1 1 1 THR HG23 H 30.051 49.019 7.113 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 15 . 1468 . 1 1 1 THR N N 28.791 46.609 5.141 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 15 . 1469 . 1 1 1 THR O O 32.079 45.301 5.589 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 15 . 1470 . 1 1 1 THR OG1 O 29.236 45.832 7.796 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 15 . 1471 . 1 1 2 . C C 29.968 41.840 4.393 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 15 . 1472 . 1 1 2 . CA C 30.802 43.104 4.231 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 15 . 1473 . 1 1 2 . CB C 31.115 43.348 2.758 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 15 . 1474 . 1 1 2 . CD C 32.533 44.536 1.018 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 15 . 1475 . 1 1 2 . CE C 33.670 45.504 0.711 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 15 . 1476 . 1 1 2 . CG C 32.090 44.482 2.478 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 15 . 1477 . 1 1 2 . H H 29.231 44.473 4.779 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 15 . 1478 . 1 1 2 . HA H 31.709 42.845 4.769 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 15 . 1479 . 1 1 2 . HB2 H 30.135 43.385 2.267 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 15 . 1480 . 1 1 2 . HB3 H 31.659 42.472 2.396 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 15 . 1481 . 1 1 2 . HD2 H 31.701 44.822 0.375 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 15 . 1482 . 1 1 2 . HD3 H 32.842 43.564 0.635 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 15 . 1483 . 1 1 2 . HE2 H 34.546 45.173 1.280 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 15 . 1484 . 1 1 2 . HE3 H 33.277 46.479 1.011 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 15 . 1485 . 1 1 2 . HG2 H 32.961 44.295 3.108 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 15 . 1486 . 1 1 2 . HG3 H 31.534 45.397 2.710 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 15 . 1487 . 1 1 2 . HZ1 H 34.371 46.372 -1.003 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 15 . 1488 . 1 1 2 . HZ2 H 33.285 45.280 -1.354 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 15 . 1489 . 1 1 2 . HZ3 H 34.660 44.706 -0.971 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 15 . 1490 . 1 1 2 . N N 30.212 44.256 4.879 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 15 . 1491 . 1 1 2 . NZ N 34.038 45.465 -0.707 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 15 . 1492 . 1 1 2 . O O 30.235 40.906 3.634 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 15 . 1493 . 1 1 3 ASN C C 26.894 40.998 6.303 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 15 . 1494 . 1 1 3 ASN CA C 28.212 40.572 5.677 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 15 . 1495 . 1 1 3 ASN CB C 28.934 39.574 6.577 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 15 . 1496 . 1 1 3 ASN CG C 30.273 38.996 6.154 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 15 . 1497 . 1 1 3 ASN H H 29.167 42.448 6.058 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 15 . 1498 . 1 1 3 ASN HA H 28.044 40.029 4.745 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 15 . 1499 . 1 1 3 ASN HB2 H 29.235 40.229 7.394 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 15 . 1500 . 1 1 3 ASN HB3 H 28.206 38.875 7.000 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 15 . 1501 . 1 1 3 ASN HD21 H 29.620 38.374 4.300 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 15 . 1502 . 1 1 3 ASN HD22 H 31.296 38.181 4.602 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 15 . 1503 . 1 1 3 ASN N N 29.078 41.704 5.381 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 15 . 1504 . 1 1 3 ASN ND2 N 30.381 38.387 4.965 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 15 . 1505 . 1 1 3 ASN O O 25.831 40.604 5.814 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 15 . 1506 . 1 1 3 ASN OD1 O 31.281 39.134 6.845 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 15 . 1507 . 1 1 4 ASP C C 24.890 43.137 7.338 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 15 . 1508 . 1 1 4 ASP CA C 25.891 42.340 8.175 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 15 . 1509 . 1 1 4 ASP CB C 26.429 43.142 9.358 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 15 . 1510 . 1 1 4 ASP CG C 25.441 43.929 10.205 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 15 . 1511 . 1 1 4 ASP H H 27.890 41.963 7.727 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 15 . 1512 . 1 1 4 ASP HA H 25.337 41.545 8.671 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 15 . 1513 . 1 1 4 ASP HB2 H 26.954 42.486 10.060 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 15 . 1514 . 1 1 4 ASP HB3 H 27.165 43.833 8.944 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 15 . 1515 . 1 1 4 ASP N N 26.955 41.744 7.402 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 15 . 1516 . 1 1 4 ASP O O 24.986 44.351 7.217 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 15 . 1517 . 1 1 4 ASP OD1 O 24.261 43.540 10.322 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 15 . 1518 . 1 1 4 ASP OD2 O 25.877 44.906 10.843 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 15 . 1519 . 1 1 5 THR C C 23.678 43.616 4.561 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 15 . 1520 . 1 1 5 THR CA C 22.966 43.003 5.755 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 15 . 1521 . 1 1 5 THR CB C 21.892 43.972 6.228 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 15 . 1522 . 1 1 5 THR CG2 C 20.509 43.777 5.605 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 15 . 1523 . 1 1 5 THR H H 23.776 41.530 7.045 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 15 . 1524 . 1 1 5 THR HA H 22.455 42.098 5.390 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 15 . 1525 . 1 1 5 THR HB H 22.209 45.016 6.185 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 15 . 1526 . 1 1 5 THR HG1 H 22.225 44.255 8.111 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 15 . 1527 . 1 1 5 THR HG21 H 19.766 44.083 6.338 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 15 . 1528 . 1 1 5 THR HG22 H 20.367 42.752 5.259 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 15 . 1529 . 1 1 5 THR HG23 H 20.616 44.279 4.635 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 15 . 1530 . 1 1 5 THR N N 23.873 42.493 6.767 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 15 . 1531 . 1 1 5 THR O O 23.325 44.628 3.952 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 15 . 1532 . 1 1 5 THR OG1 O 21.623 43.728 7.588 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 15 . 1533 . 1 1 6 . C C 26.468 44.442 3.314 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 15 . 1534 . 1 1 6 . CA C 25.543 43.270 3.007 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 15 . 1535 . 1 1 6 . CB C 26.197 41.982 2.515 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 15 . 1536 . 1 1 6 . CG C 25.265 40.825 2.192 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 15 . 1537 . 1 1 6 . H H 25.097 42.235 4.828 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 15 . 1538 . 1 1 6 . HA H 24.828 43.582 2.253 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 15 . 1539 . 1 1 6 . HB2 H 26.985 41.693 3.220 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 15 . 1540 . 1 1 6 . HB3 H 26.683 42.206 1.570 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 15 . 1541 . 1 1 6 . HD21 H 25.055 40.249 4.120 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 15 . 1542 . 1 1 6 . HD22 H 24.123 39.326 2.938 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 15 . 1543 . 1 1 6 . N N 24.777 42.964 4.190 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 15 . 1544 . 1 1 6 . ND2 N 24.816 40.016 3.160 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 15 . 1545 . 1 1 6 . O O 27.503 44.111 3.910 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 15 . 1546 . 1 1 6 . OD1 O 24.939 40.539 1.050 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 15 . 1547 . 1 1 7 DPR C C 28.497 46.745 3.848 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 15 . 1548 . 1 1 7 DPR CA C 27.011 46.855 3.545 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 15 . 1549 . 1 1 7 DPR CB C 26.562 48.090 2.764 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 15 . 1550 . 1 1 7 DPR CD C 25.387 46.212 1.974 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 15 . 1551 . 1 1 7 DPR CG C 25.177 47.695 2.250 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 15 . 1552 . 1 1 7 DPR HA H 26.556 46.996 4.524 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 15 . 1553 . 1 1 7 DPR HB2 H 27.202 48.225 1.897 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 15 . 1554 . 1 1 7 DPR HB3 H 26.507 49.010 3.343 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 15 . 1555 . 1 1 7 DPR HD2 H 25.800 46.153 0.970 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 15 . 1556 . 1 1 7 DPR HD3 H 24.374 45.803 1.922 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 15 . 1557 . 1 1 7 DPR HG2 H 24.955 48.265 1.352 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 15 . 1558 . 1 1 7 DPR HG3 H 24.476 47.806 3.079 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 15 . 1559 . 1 1 7 DPR N N 26.343 45.711 2.947 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 15 . 1560 . 1 1 7 DPR O O 29.345 46.641 2.956 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 16 . 1561 . 1 1 1 THR C C 31.166 45.589 5.311 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 16 . 1562 . 1 1 1 THR CA C 30.433 46.881 4.978 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 16 . 1563 . 1 1 1 THR CB C 30.655 47.941 6.062 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 16 . 1564 . 1 1 1 THR CG2 C 30.554 49.338 5.448 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 16 . 1565 . 1 1 1 THR H1 H 28.443 46.963 5.488 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 16 . 1566 . 1 1 1 THR HA H 30.954 47.348 4.135 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 16 . 1567 . 1 1 1 THR HB H 31.650 47.755 6.454 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 16 . 1568 . 1 1 1 THR HG1 H 29.783 47.086 7.591 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 16 . 1569 . 1 1 1 THR HG21 H 31.341 49.409 4.696 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 16 . 1570 . 1 1 1 THR HG22 H 30.674 50.201 6.105 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 16 . 1571 . 1 1 1 THR HG23 H 29.652 49.347 4.839 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 16 . 1572 . 1 1 1 THR N N 29.025 46.781 4.688 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 16 . 1573 . 1 1 1 THR O O 32.180 45.537 6.014 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 16 . 1574 . 1 1 1 THR OG1 O 29.725 47.920 7.125 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 16 . 1575 . 1 1 2 . C C 29.871 42.181 4.812 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 16 . 1576 . 1 1 2 . CA C 31.038 43.116 5.084 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 16 . 1577 . 1 1 2 . CB C 32.297 42.616 4.382 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 16 . 1578 . 1 1 2 . CD C 34.273 41.132 4.482 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 16 . 1579 . 1 1 2 . CE C 34.827 39.881 5.147 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 16 . 1580 . 1 1 2 . CG C 32.866 41.357 5.029 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 16 . 1581 . 1 1 2 . H H 30.058 44.760 4.019 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 16 . 1582 . 1 1 2 . HA H 31.232 43.137 6.153 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 16 . 1583 . 1 1 2 . HB2 H 33.056 43.391 4.411 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 16 . 1584 . 1 1 2 . HB3 H 32.070 42.422 3.327 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 16 . 1585 . 1 1 2 . HD2 H 34.887 42.011 4.661 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 16 . 1586 . 1 1 2 . HD3 H 34.279 41.037 3.385 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 16 . 1587 . 1 1 2 . HE2 H 35.789 39.593 4.701 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 16 . 1588 . 1 1 2 . HE3 H 34.152 39.033 5.099 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 16 . 1589 . 1 1 2 . HG2 H 32.192 40.550 4.715 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 16 . 1590 . 1 1 2 . HG3 H 32.875 41.553 6.103 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 16 . 1591 . 1 1 2 . HZ1 H 35.671 40.939 6.700 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 16 . 1592 . 1 1 2 . HZ2 H 35.635 39.307 6.940 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 16 . 1593 . 1 1 2 . HZ3 H 34.314 40.186 7.155 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 16 . 1594 . 1 1 2 . N N 30.744 44.487 4.702 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 16 . 1595 . 1 1 2 . NZ N 35.136 40.094 6.571 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 16 . 1596 . 1 1 2 . O O 29.528 42.043 3.636 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 16 . 1597 . 1 1 3 ASN C C 26.974 40.845 6.169 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 16 . 1598 . 1 1 3 ASN CA C 28.323 40.498 5.548 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 16 . 1599 . 1 1 3 ASN CB C 28.837 39.117 5.952 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 16 . 1600 . 1 1 3 ASN CG C 30.115 38.643 5.274 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 16 . 1601 . 1 1 3 ASN H H 29.787 41.590 6.708 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 16 . 1602 . 1 1 3 ASN HA H 28.086 40.362 4.489 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 16 . 1603 . 1 1 3 ASN HB2 H 29.029 39.051 7.018 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 16 . 1604 . 1 1 3 ASN HB3 H 28.042 38.400 5.736 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 16 . 1605 . 1 1 3 ASN HD21 H 29.506 39.046 3.327 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 16 . 1606 . 1 1 3 ASN HD22 H 31.166 38.595 3.568 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 16 . 1607 . 1 1 3 ASN N N 29.306 41.527 5.828 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 16 . 1608 . 1 1 3 ASN ND2 N 30.240 38.748 3.948 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 16 . 1609 . 1 1 3 ASN O O 25.969 40.643 5.503 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 16 . 1610 . 1 1 3 ASN OD1 O 31.110 38.293 5.898 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 16 . 1611 . 1 1 4 ASP C C 24.925 42.705 7.180 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 16 . 1612 . 1 1 4 ASP CA C 25.688 41.718 8.047 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 16 . 1613 . 1 1 4 ASP CB C 25.932 42.292 9.446 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 16 . 1614 . 1 1 4 ASP CG C 24.686 42.892 10.095 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 16 . 1615 . 1 1 4 ASP H H 27.822 41.690 7.768 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 16 . 1616 . 1 1 4 ASP HA H 25.098 40.831 8.261 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 16 . 1617 . 1 1 4 ASP HB2 H 26.486 41.566 10.041 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 16 . 1618 . 1 1 4 ASP HB3 H 26.628 43.124 9.345 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 16 . 1619 . 1 1 4 ASP N N 26.936 41.367 7.394 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 16 . 1620 . 1 1 4 ASP O O 25.298 43.835 6.871 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 16 . 1621 . 1 1 4 ASP OD1 O 24.879 43.730 11.008 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 16 . 1622 . 1 1 4 ASP OD2 O 23.538 42.526 9.756 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 16 . 1623 . 1 1 5 THR C C 23.451 43.750 4.674 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 16 . 1624 . 1 1 5 THR CA C 22.828 43.176 5.934 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 16 . 1625 . 1 1 5 THR CB C 22.056 44.193 6.774 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 16 . 1626 . 1 1 5 THR CG2 C 20.699 44.630 6.207 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 16 . 1627 . 1 1 5 THR H H 23.336 41.453 6.953 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 16 . 1628 . 1 1 5 THR HA H 22.027 42.494 5.617 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 16 . 1629 . 1 1 5 THR HB H 22.608 45.032 7.183 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 16 . 1630 . 1 1 5 THR HG1 H 22.346 43.434 8.558 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 16 . 1631 . 1 1 5 THR HG21 H 20.060 43.761 6.103 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 16 . 1632 . 1 1 5 THR HG22 H 20.833 45.031 5.206 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 16 . 1633 . 1 1 5 THR HG23 H 20.205 45.291 6.916 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 16 . 1634 . 1 1 5 THR N N 23.715 42.363 6.730 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 16 . 1635 . 1 1 5 THR O O 23.205 44.905 4.306 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 16 . 1636 . 1 1 5 THR OG1 O 21.615 43.548 7.951 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 16 . 1637 . 1 1 6 . C C 26.303 44.522 3.417 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 16 . 1638 . 1 1 6 . CA C 25.302 43.456 2.990 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 16 . 1639 . 1 1 6 . CB C 26.075 42.222 2.555 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 16 . 1640 . 1 1 6 . CG C 25.211 41.083 2.033 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 16 . 1641 . 1 1 6 . H H 24.692 42.247 4.618 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 16 . 1642 . 1 1 6 . HA H 24.706 43.756 2.122 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 16 . 1643 . 1 1 6 . HB2 H 26.701 41.890 3.384 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 16 . 1644 . 1 1 6 . HB3 H 26.753 42.571 1.769 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 16 . 1645 . 1 1 6 . HD21 H 25.372 39.756 3.618 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 16 . 1646 . 1 1 6 . HD22 H 24.450 39.209 2.288 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 16 . 1647 . 1 1 6 . N N 24.447 43.078 4.101 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 16 . 1648 . 1 1 6 . ND2 N 24.992 39.958 2.702 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 16 . 1649 . 1 1 6 . O O 27.182 44.149 4.191 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 16 . 1650 . 1 1 6 . OD1 O 24.594 41.274 0.981 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 16 . 1651 . 1 1 7 DPR C C 28.423 46.534 3.516 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 16 . 1652 . 1 1 7 DPR CA C 26.938 46.875 3.510 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 16 . 1653 . 1 1 7 DPR CB C 26.647 48.102 2.644 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 16 . 1654 . 1 1 7 DPR CD C 25.240 46.286 1.983 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 16 . 1655 . 1 1 7 DPR CG C 25.249 47.810 2.103 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 16 . 1656 . 1 1 7 DPR HA H 26.675 47.185 4.523 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 16 . 1657 . 1 1 7 DPR HB2 H 27.289 47.970 1.776 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 16 . 1658 . 1 1 7 DPR HB3 H 26.724 49.034 3.193 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 16 . 1659 . 1 1 7 DPR HD2 H 25.536 46.069 0.959 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 16 . 1660 . 1 1 7 DPR HD3 H 24.200 45.986 2.144 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 16 . 1661 . 1 1 7 DPR HG2 H 25.046 48.373 1.191 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 16 . 1662 . 1 1 7 DPR HG3 H 24.411 48.101 2.734 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 16 . 1663 . 1 1 7 DPR N N 26.120 45.786 3.015 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 16 . 1664 . 1 1 7 DPR O O 29.027 46.155 2.528 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 17 . 1665 . 1 1 1 THR C C 30.970 44.992 4.148 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 17 . 1666 . 1 1 1 THR CA C 30.614 46.395 4.600 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 17 . 1667 . 1 1 1 THR CB C 31.557 46.765 5.750 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 17 . 1668 . 1 1 1 THR CG2 C 31.801 48.276 5.713 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 17 . 1669 . 1 1 1 THR H1 H 29.000 46.241 5.861 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 17 . 1670 . 1 1 1 THR HA H 30.921 47.059 3.794 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 17 . 1671 . 1 1 1 THR HB H 32.521 46.271 5.631 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 17 . 1672 . 1 1 1 THR HG1 H 31.430 45.538 7.216 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 17 . 1673 . 1 1 1 THR HG21 H 32.620 48.547 6.376 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 17 . 1674 . 1 1 1 THR HG22 H 30.850 48.759 5.946 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 17 . 1675 . 1 1 1 THR HG23 H 32.162 48.579 4.730 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 17 . 1676 . 1 1 1 THR N N 29.225 46.605 4.952 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 17 . 1677 . 1 1 1 THR O O 32.050 44.818 3.581 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 17 . 1678 . 1 1 1 THR OG1 O 31.032 46.389 7.002 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 17 . 1679 . 1 1 2 . C C 29.654 41.656 4.878 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 17 . 1680 . 1 1 2 . CA C 30.307 42.652 3.927 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 17 . 1681 . 1 1 2 . CB C 29.819 42.521 2.492 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 17 . 1682 . 1 1 2 . CD C 29.618 43.353 0.125 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 17 . 1683 . 1 1 2 . CE C 30.251 44.176 -0.999 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 17 . 1684 . 1 1 2 . CG C 30.231 43.608 1.503 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 17 . 1685 . 1 1 2 . H H 29.189 44.258 4.773 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 17 . 1686 . 1 1 2 . HA H 31.386 42.478 3.981 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 17 . 1687 . 1 1 2 . HB2 H 28.735 42.414 2.398 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 17 . 1688 . 1 1 2 . HB3 H 30.305 41.609 2.152 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 17 . 1689 . 1 1 2 . HD2 H 28.535 43.481 0.120 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 17 . 1690 . 1 1 2 . HD3 H 29.874 42.331 -0.156 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 17 . 1691 . 1 1 2 . HE2 H 29.824 43.705 -1.892 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 17 . 1692 . 1 1 2 . HE3 H 31.331 44.083 -0.848 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 17 . 1693 . 1 1 2 . HG2 H 31.316 43.586 1.417 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 17 . 1694 . 1 1 2 . HG3 H 29.897 44.580 1.881 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 17 . 1695 . 1 1 2 . HZ1 H 30.116 45.882 0.030 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 17 . 1696 . 1 1 2 . HZ2 H 28.836 45.679 -1.014 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 17 . 1697 . 1 1 2 . HZ3 H 30.161 46.099 -1.686 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 17 . 1698 . 1 1 2 . N N 30.067 44.029 4.328 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 17 . 1699 . 1 1 2 . NZ N 29.828 45.578 -0.886 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 17 . 1700 . 1 1 2 . O O 29.372 40.563 4.380 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 17 . 1701 . 1 1 3 ASN C C 27.744 40.831 7.355 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 17 . 1702 . 1 1 3 ASN CA C 29.251 40.889 7.143 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 17 . 1703 . 1 1 3 ASN CB C 29.982 41.168 8.451 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 17 . 1704 . 1 1 3 ASN CG C 29.637 40.127 9.497 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 17 . 1705 . 1 1 3 ASN H H 30.131 42.739 6.497 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 17 . 1706 . 1 1 3 ASN HA H 29.408 39.900 6.719 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 17 . 1707 . 1 1 3 ASN HB2 H 31.046 41.152 8.201 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 17 . 1708 . 1 1 3 ASN HB3 H 29.683 42.113 8.897 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 17 . 1709 . 1 1 3 ASN HD21 H 30.469 38.542 8.470 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 17 . 1710 . 1 1 3 ASN HD22 H 29.774 38.151 9.981 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 17 . 1711 . 1 1 3 ASN N N 29.661 41.904 6.187 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 17 . 1712 . 1 1 3 ASN ND2 N 29.898 38.844 9.252 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 17 . 1713 . 1 1 3 ASN O O 27.200 39.743 7.473 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 17 . 1714 . 1 1 3 ASN OD1 O 29.145 40.492 10.556 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 17 . 1715 . 1 1 4 ASP C C 24.766 42.801 6.732 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 17 . 1716 . 1 1 4 ASP CA C 25.590 41.992 7.712 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 17 . 1717 . 1 1 4 ASP CB C 25.445 42.556 9.119 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 17 . 1718 . 1 1 4 ASP CG C 24.010 42.699 9.613 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 17 . 1719 . 1 1 4 ASP H H 27.412 42.809 7.033 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 17 . 1720 . 1 1 4 ASP HA H 25.108 41.012 7.783 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 17 . 1721 . 1 1 4 ASP HB2 H 25.896 41.909 9.868 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 17 . 1722 . 1 1 4 ASP HB3 H 25.986 43.506 9.167 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 17 . 1723 . 1 1 4 ASP N N 26.993 41.937 7.332 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 17 . 1724 . 1 1 4 ASP O O 24.840 44.027 6.647 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 17 . 1725 . 1 1 4 ASP OD1 O 23.072 42.024 9.139 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 17 . 1726 . 1 1 4 ASP OD2 O 23.794 43.555 10.496 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 17 . 1727 . 1 1 5 THR C C 23.265 43.527 4.157 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 17 . 1728 . 1 1 5 THR CA C 22.748 42.640 5.269 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 17 . 1729 . 1 1 5 THR CB C 21.586 43.192 6.109 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 17 . 1730 . 1 1 5 THR CG2 C 20.256 43.407 5.405 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 17 . 1731 . 1 1 5 THR H H 23.630 41.162 6.382 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 17 . 1732 . 1 1 5 THR HA H 22.350 41.711 4.847 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 17 . 1733 . 1 1 5 THR HB H 21.787 44.107 6.656 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 17 . 1734 . 1 1 5 THR HG1 H 21.888 42.197 7.738 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 17 . 1735 . 1 1 5 THR HG21 H 20.366 44.152 4.615 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 17 . 1736 . 1 1 5 THR HG22 H 19.453 43.675 6.091 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 17 . 1737 . 1 1 5 THR HG23 H 19.965 42.492 4.885 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 17 . 1738 . 1 1 5 THR N N 23.811 42.121 6.106 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 17 . 1739 . 1 1 5 THR O O 22.524 44.346 3.607 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 17 . 1740 . 1 1 5 THR OG1 O 21.208 42.228 7.068 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 17 . 1741 . 1 1 6 . C C 26.211 44.991 3.529 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 17 . 1742 . 1 1 6 . CA C 25.204 44.127 2.781 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 17 . 1743 . 1 1 6 . CB C 25.931 43.147 1.854 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 17 . 1744 . 1 1 6 . CG C 24.890 42.294 1.153 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 17 . 1745 . 1 1 6 . H H 25.157 42.860 4.431 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 17 . 1746 . 1 1 6 . HA H 24.551 44.752 2.169 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 17 . 1747 . 1 1 6 . HB2 H 26.712 42.555 2.345 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 17 . 1748 . 1 1 6 . HB3 H 26.443 43.841 1.184 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 17 . 1749 . 1 1 6 . HD21 H 25.211 40.702 2.341 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 17 . 1750 . 1 1 6 . HD22 H 23.990 40.438 1.148 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 17 . 1751 . 1 1 6 . N N 24.536 43.346 3.795 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 17 . 1752 . 1 1 6 . ND2 N 24.738 41.013 1.509 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 17 . 1753 . 1 1 6 . O O 27.165 44.424 4.034 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 17 . 1754 . 1 1 6 . OD1 O 24.234 42.797 0.247 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 17 . 1755 . 1 1 7 DPR C C 28.269 47.044 4.125 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 17 . 1756 . 1 1 7 DPR CA C 26.837 47.026 4.658 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 17 . 1757 . 1 1 7 DPR CB C 26.248 48.436 4.640 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 17 . 1758 . 1 1 7 DPR CD C 24.655 46.920 3.645 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 17 . 1759 . 1 1 7 DPR CG C 24.753 48.211 4.455 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 17 . 1760 . 1 1 7 DPR HA H 26.777 46.615 5.665 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 17 . 1761 . 1 1 7 DPR HB2 H 26.530 48.987 3.740 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 17 . 1762 . 1 1 7 DPR HB3 H 26.499 49.028 5.522 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 17 . 1763 . 1 1 7 DPR HD2 H 24.584 47.159 2.581 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 17 . 1764 . 1 1 7 DPR HD3 H 23.805 46.291 3.920 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 17 . 1765 . 1 1 7 DPR HG2 H 24.221 49.085 4.078 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 17 . 1766 . 1 1 7 DPR HG3 H 24.483 48.066 5.505 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 17 . 1767 . 1 1 7 DPR N N 25.931 46.269 3.824 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 17 . 1768 . 1 1 7 DPR O O 28.581 47.626 3.089 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 18 . 1769 . 1 1 1 THR C C 31.372 45.257 4.521 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 18 . 1770 . 1 1 1 THR CA C 30.866 46.659 4.827 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 18 . 1771 . 1 1 1 THR CB C 31.659 47.246 5.991 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 18 . 1772 . 1 1 1 THR CG2 C 31.625 48.768 5.896 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 18 . 1773 . 1 1 1 THR H1 H 29.166 46.989 6.034 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 18 . 1774 . 1 1 1 THR HA H 31.190 47.223 3.954 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 18 . 1775 . 1 1 1 THR HB H 32.692 46.899 5.949 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 18 . 1776 . 1 1 1 THR HG1 H 31.822 47.287 7.817 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 18 . 1777 . 1 1 1 THR HG21 H 32.271 49.160 6.680 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 18 . 1778 . 1 1 1 THR HG22 H 30.587 49.110 5.818 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 18 . 1779 . 1 1 1 THR HG23 H 32.027 49.187 4.972 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 18 . 1780 . 1 1 1 THR N N 29.448 46.817 5.074 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 18 . 1781 . 1 1 1 THR O O 32.563 44.994 4.480 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 18 . 1782 . 1 1 1 THR OG1 O 31.202 46.816 7.248 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 18 . 1783 . 1 1 2 . C C 29.915 41.866 4.518 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 18 . 1784 . 1 1 2 . CA C 30.670 42.985 3.828 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 18 . 1785 . 1 1 2 . CB C 30.348 42.957 2.328 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 18 . 1786 . 1 1 2 . CD C 30.584 43.844 -0.012 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 18 . 1787 . 1 1 2 . CE C 31.169 44.833 -1.024 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 18 . 1788 . 1 1 2 . CG C 30.923 44.072 1.458 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 18 . 1789 . 1 1 2 . H H 29.507 44.662 4.545 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 18 . 1790 . 1 1 2 . HA H 31.718 42.743 3.945 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 18 . 1791 . 1 1 2 . HB2 H 29.271 42.887 2.238 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 18 . 1792 . 1 1 2 . HB3 H 30.743 42.034 1.921 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 18 . 1793 . 1 1 2 . HD2 H 29.509 43.954 -0.044 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 18 . 1794 . 1 1 2 . HD3 H 31.012 42.869 -0.262 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 18 . 1795 . 1 1 2 . HE2 H 32.258 44.757 -0.999 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 18 . 1796 . 1 1 2 . HE3 H 30.998 45.862 -0.708 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 18 . 1797 . 1 1 2 . HG2 H 32.004 44.136 1.634 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 18 . 1798 . 1 1 2 . HG3 H 30.611 45.082 1.691 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 18 . 1799 . 1 1 2 . HZ1 H 29.663 44.604 -2.495 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 18 . 1800 . 1 1 2 . HZ2 H 30.882 43.638 -2.642 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 18 . 1801 . 1 1 2 . HZ3 H 30.989 45.273 -3.058 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 18 . 1802 . 1 1 2 . N N 30.447 44.293 4.402 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 18 . 1803 . 1 1 2 . NZ N 30.668 44.594 -2.390 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 18 . 1804 . 1 1 2 . O O 29.919 40.753 3.995 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 18 . 1805 . 1 1 3 ASN C C 27.194 41.196 6.720 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 18 . 1806 . 1 1 3 ASN CA C 28.667 41.010 6.440 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 18 . 1807 . 1 1 3 ASN CB C 29.448 40.863 7.748 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 18 . 1808 . 1 1 3 ASN CG C 29.114 39.628 8.581 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 18 . 1809 . 1 1 3 ASN H H 29.216 43.040 5.954 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 18 . 1810 . 1 1 3 ASN HA H 28.754 40.112 5.842 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 18 . 1811 . 1 1 3 ASN HB2 H 30.459 40.663 7.389 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 18 . 1812 . 1 1 3 ASN HB3 H 29.497 41.751 8.371 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 18 . 1813 . 1 1 3 ASN HD21 H 29.324 38.263 7.076 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 18 . 1814 . 1 1 3 ASN HD22 H 28.872 37.644 8.669 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 18 . 1815 . 1 1 3 ASN N N 29.272 42.075 5.665 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 18 . 1816 . 1 1 3 ASN ND2 N 29.076 38.411 8.036 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 18 . 1817 . 1 1 3 ASN O O 26.460 40.217 6.709 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 18 . 1818 . 1 1 3 ASN OD1 O 28.826 39.820 9.758 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 18 . 1819 . 1 1 4 ASP C C 24.357 43.116 6.752 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 18 . 1820 . 1 1 4 ASP CA C 25.493 42.733 7.684 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 18 . 1821 . 1 1 4 ASP CB C 25.808 43.839 8.697 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 18 . 1822 . 1 1 4 ASP CG C 24.651 44.298 9.544 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 18 . 1823 . 1 1 4 ASP H H 27.234 43.245 6.772 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 18 . 1824 . 1 1 4 ASP HA H 25.161 41.830 8.189 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 18 . 1825 . 1 1 4 ASP HB2 H 26.620 43.478 9.336 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 18 . 1826 . 1 1 4 ASP HB3 H 26.194 44.744 8.225 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 18 . 1827 . 1 1 4 ASP N N 26.680 42.413 6.919 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 18 . 1828 . 1 1 4 ASP O O 24.158 44.277 6.418 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 18 . 1829 . 1 1 4 ASP OD1 O 23.754 43.472 9.823 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 18 . 1830 . 1 1 4 ASP OD2 O 24.554 45.500 9.903 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 18 . 1831 . 1 1 5 THR C C 23.076 43.080 4.187 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 18 . 1832 . 1 1 5 THR CA C 22.537 42.240 5.334 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 18 . 1833 . 1 1 5 THR CB C 21.139 42.706 5.727 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 18 . 1834 . 1 1 5 THR CG2 C 20.062 42.231 4.752 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 18 . 1835 . 1 1 5 THR H H 23.752 41.223 6.701 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 18 . 1836 . 1 1 5 THR HA H 22.368 41.221 4.987 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 18 . 1837 . 1 1 5 THR HB H 21.039 43.780 5.879 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 18 . 1838 . 1 1 5 THR HG1 H 21.463 42.170 7.462 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 18 . 1839 . 1 1 5 THR HG21 H 19.155 42.585 5.247 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 18 . 1840 . 1 1 5 THR HG22 H 20.135 41.156 4.584 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 18 . 1841 . 1 1 5 THR HG23 H 20.177 42.672 3.757 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 18 . 1842 . 1 1 5 THR N N 23.482 42.157 6.427 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 18 . 1843 . 1 1 5 THR O O 22.419 43.991 3.705 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 18 . 1844 . 1 1 5 THR OG1 O 20.673 42.110 6.908 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 18 . 1845 . 1 1 6 . C C 26.287 44.362 3.928 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 18 . 1846 . 1 1 6 . CA C 25.262 43.610 3.094 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 18 . 1847 . 1 1 6 . CB C 25.899 42.648 2.097 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 18 . 1848 . 1 1 6 . CG C 24.914 41.754 1.367 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 18 . 1849 . 1 1 6 . H H 24.774 41.984 4.266 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 18 . 1850 . 1 1 6 . HA H 24.586 44.252 2.521 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 18 . 1851 . 1 1 6 . HB2 H 26.543 41.954 2.634 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 18 . 1852 . 1 1 6 . HB3 H 26.385 43.157 1.259 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 18 . 1853 . 1 1 6 . HD21 H 24.667 40.309 2.825 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 18 . 1854 . 1 1 6 . HD22 H 23.931 40.050 1.236 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 18 . 1855 . 1 1 6 . N N 24.364 42.856 3.940 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 18 . 1856 . 1 1 6 . ND2 N 24.426 40.636 1.901 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 18 . 1857 . 1 1 6 . O O 27.229 43.771 4.442 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 18 . 1858 . 1 1 6 . OD1 O 24.426 42.200 0.335 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 18 . 1859 . 1 1 7 DPR C C 28.432 46.584 4.243 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 18 . 1860 . 1 1 7 DPR CA C 27.055 46.483 4.883 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 18 . 1861 . 1 1 7 DPR CB C 26.427 47.843 5.156 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 18 . 1862 . 1 1 7 DPR CD C 24.875 46.387 4.008 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 18 . 1863 . 1 1 7 DPR CG C 24.958 47.455 5.097 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 18 . 1864 . 1 1 7 DPR HA H 27.180 45.948 5.824 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 18 . 1865 . 1 1 7 DPR HB2 H 26.694 48.562 4.379 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 18 . 1866 . 1 1 7 DPR HB3 H 26.719 48.204 6.143 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 18 . 1867 . 1 1 7 DPR HD2 H 24.754 46.824 3.024 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 18 . 1868 . 1 1 7 DPR HD3 H 23.999 45.765 4.201 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 18 . 1869 . 1 1 7 DPR HG2 H 24.372 48.294 4.740 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 18 . 1870 . 1 1 7 DPR HG3 H 24.583 47.024 6.027 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 18 . 1871 . 1 1 7 DPR N N 26.139 45.684 4.086 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 18 . 1872 . 1 1 7 DPR O O 28.645 46.219 3.093 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 19 . 1873 . 1 1 1 THR C C 31.402 45.296 4.123 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 19 . 1874 . 1 1 1 THR CA C 30.933 46.699 4.451 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 19 . 1875 . 1 1 1 THR CB C 31.754 47.285 5.593 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 19 . 1876 . 1 1 1 THR CG2 C 31.671 48.803 5.694 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 19 . 1877 . 1 1 1 THR H1 H 29.266 46.590 5.699 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 19 . 1878 . 1 1 1 THR HA H 31.203 47.293 3.577 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 19 . 1879 . 1 1 1 THR HB H 32.782 47.038 5.353 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 19 . 1880 . 1 1 1 THR HG1 H 31.258 47.648 7.408 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 19 . 1881 . 1 1 1 THR HG21 H 30.637 49.121 5.826 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 19 . 1882 . 1 1 1 THR HG22 H 32.069 49.272 4.797 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 19 . 1883 . 1 1 1 THR HG23 H 32.255 49.164 6.554 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 19 . 1884 . 1 1 1 THR N N 29.519 46.829 4.745 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 19 . 1885 . 1 1 1 THR O O 32.569 45.091 3.806 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 19 . 1886 . 1 1 1 THR OG1 O 31.277 46.863 6.853 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 19 . 1887 . 1 1 2 . C C 30.066 41.830 4.800 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 19 . 1888 . 1 1 2 . CA C 30.703 42.888 3.899 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 19 . 1889 . 1 1 2 . CB C 30.131 42.683 2.500 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 19 . 1890 . 1 1 2 . CD C 30.665 42.642 0.151 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 19 . 1891 . 1 1 2 . CE C 31.267 43.312 -1.075 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 19 . 1892 . 1 1 2 . CG C 30.891 43.448 1.426 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 19 . 1893 . 1 1 2 . H H 29.559 44.558 4.398 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 19 . 1894 . 1 1 2 . HA H 31.754 42.625 3.920 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 19 . 1895 . 1 1 2 . HB2 H 29.134 43.121 2.414 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 19 . 1896 . 1 1 2 . HB3 H 30.002 41.620 2.303 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 19 . 1897 . 1 1 2 . HD2 H 29.592 42.533 -0.011 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 19 . 1898 . 1 1 2 . HD3 H 31.086 41.640 0.249 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 19 . 1899 . 1 1 2 . HE2 H 30.926 42.777 -1.963 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 19 . 1900 . 1 1 2 . HE3 H 32.361 43.221 -1.024 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 19 . 1901 . 1 1 2 . HG2 H 31.950 43.548 1.640 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 19 . 1902 . 1 1 2 . HG3 H 30.433 44.430 1.247 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 19 . 1903 . 1 1 2 . HZ1 H 29.953 44.945 -1.258 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 19 . 1904 . 1 1 2 . HZ2 H 31.147 44.970 -2.217 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 19 . 1905 . 1 1 2 . HZ3 H 31.501 45.296 -0.637 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 19 . 1906 . 1 1 2 . N N 30.522 44.290 4.219 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 19 . 1907 . 1 1 2 . NZ N 30.937 44.736 -1.252 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 19 . 1908 . 1 1 2 . O O 30.424 40.648 4.799 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 19 . 1909 . 1 1 3 ASN C C 27.078 42.050 7.020 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 19 . 1910 . 1 1 3 ASN CA C 28.431 41.495 6.598 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 19 . 1911 . 1 1 3 ASN CB C 29.426 41.568 7.754 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 19 . 1912 . 1 1 3 ASN CG C 29.301 40.461 8.784 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 19 . 1913 . 1 1 3 ASN H H 28.933 43.296 5.544 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 19 . 1914 . 1 1 3 ASN HA H 28.316 40.443 6.327 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 19 . 1915 . 1 1 3 ASN HB2 H 30.445 41.521 7.368 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 19 . 1916 . 1 1 3 ASN HB3 H 29.249 42.532 8.220 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 19 . 1917 . 1 1 3 ASN HD21 H 28.592 41.726 10.215 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 19 . 1918 . 1 1 3 ASN HD22 H 28.712 39.980 10.623 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 19 . 1919 . 1 1 3 ASN N N 29.134 42.310 5.623 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 19 . 1920 . 1 1 3 ASN ND2 N 28.758 40.749 9.977 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 19 . 1921 . 1 1 3 ASN O O 26.787 43.218 6.775 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 19 . 1922 . 1 1 3 ASN OD1 O 29.679 39.325 8.505 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 19 . 1923 . 1 1 4 ASP C C 24.133 42.321 7.374 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 19 . 1924 . 1 1 4 ASP CA C 25.050 41.527 8.293 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 19 . 1925 . 1 1 4 ASP CB C 25.305 42.370 9.534 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 19 . 1926 . 1 1 4 ASP CG C 24.071 42.684 10.364 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 19 . 1927 . 1 1 4 ASP H H 26.698 40.261 7.816 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 19 . 1928 . 1 1 4 ASP HA H 24.531 40.606 8.564 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 19 . 1929 . 1 1 4 ASP HB2 H 25.935 41.800 10.215 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 19 . 1930 . 1 1 4 ASP HB3 H 25.752 43.349 9.344 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 19 . 1931 . 1 1 4 ASP N N 26.320 41.183 7.678 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 19 . 1932 . 1 1 4 ASP O O 23.906 43.525 7.453 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 19 . 1933 . 1 1 4 ASP OD1 O 23.041 41.989 10.217 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 19 . 1934 . 1 1 4 ASP OD2 O 24.155 43.576 11.245 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 19 . 1935 . 1 1 5 THR C C 23.320 43.296 4.419 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 19 . 1936 . 1 1 5 THR CA C 22.798 42.113 5.229 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 19 . 1937 . 1 1 5 THR CB C 21.416 42.439 5.782 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 19 . 1938 . 1 1 5 THR CG2 C 20.226 42.424 4.831 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 19 . 1939 . 1 1 5 THR H H 23.881 40.693 6.224 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 19 . 1940 . 1 1 5 THR HA H 22.764 41.222 4.590 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 19 . 1941 . 1 1 5 THR HB H 21.431 43.420 6.237 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 19 . 1942 . 1 1 5 THR HG1 H 21.137 40.663 6.562 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 19 . 1943 . 1 1 5 THR HG21 H 20.563 42.783 3.848 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 19 . 1944 . 1 1 5 THR HG22 H 19.463 43.116 5.180 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 19 . 1945 . 1 1 5 THR HG23 H 19.809 41.444 4.630 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 19 . 1946 . 1 1 5 THR N N 23.653 41.667 6.313 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 19 . 1947 . 1 1 5 THR O O 22.657 43.762 3.497 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 19 . 1948 . 1 1 5 THR OG1 O 21.143 41.579 6.859 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 19 . 1949 . 1 1 6 . C C 26.597 44.816 3.796 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 19 . 1950 . 1 1 6 . CA C 25.490 43.851 3.365 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 19 . 1951 . 1 1 6 . CB C 26.101 42.536 2.894 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 19 . 1952 . 1 1 6 . CG C 25.089 41.500 2.437 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 19 . 1953 . 1 1 6 . H H 25.118 43.336 5.324 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 19 . 1954 . 1 1 6 . HA H 24.947 44.258 2.519 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 19 . 1955 . 1 1 6 . HB2 H 26.693 41.979 3.625 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 19 . 1956 . 1 1 6 . HB3 H 26.781 42.711 2.059 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 19 . 1957 . 1 1 6 . HD21 H 25.651 39.935 3.647 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 19 . 1958 . 1 1 6 . HD22 H 24.371 39.689 2.408 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 19 . 1959 . 1 1 6 . N N 24.610 43.610 4.493 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 19 . 1960 . 1 1 6 . ND2 N 25.004 40.267 2.952 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 19 . 1961 . 1 1 6 . O O 27.635 44.411 4.308 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 19 . 1962 . 1 1 6 . OD1 O 24.243 41.785 1.585 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 19 . 1963 . 1 1 7 DPR C C 28.590 46.948 3.795 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 19 . 1964 . 1 1 7 DPR CA C 27.145 47.148 4.255 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 19 . 1965 . 1 1 7 DPR CB C 26.577 48.504 3.871 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 19 . 1966 . 1 1 7 DPR CD C 25.049 46.705 3.295 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 19 . 1967 . 1 1 7 DPR CG C 25.121 48.203 3.569 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 19 . 1968 . 1 1 7 DPR HA H 27.135 46.988 5.326 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 19 . 1969 . 1 1 7 DPR HB2 H 27.141 48.889 3.017 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 19 . 1970 . 1 1 7 DPR HB3 H 26.629 49.235 4.680 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 19 . 1971 . 1 1 7 DPR HD2 H 24.936 46.547 2.220 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 19 . 1972 . 1 1 7 DPR HD3 H 24.229 46.309 3.899 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 19 . 1973 . 1 1 7 DPR HG2 H 24.692 48.831 2.793 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 19 . 1974 . 1 1 7 DPR HG3 H 24.504 48.334 4.457 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 19 . 1975 . 1 1 7 DPR N N 26.309 46.117 3.699 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 19 . 1976 . 1 1 7 DPR O O 28.901 46.991 2.611 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 1 . 20 . 1977 . 1 1 1 THR C C 31.416 45.233 3.948 . . . 1.0 . . . . . . . . . . . . A . 1 THR C . . . . . . . . . c30356_6be9 1 . 20 . 1978 . 1 1 1 THR CA C 30.953 46.677 4.089 . . . 1.0 . . . . . . . . . . . . A . 1 THR CA . . . . . . . . . c30356_6be9 1 . 20 . 1979 . 1 1 1 THR CB C 31.954 47.491 4.906 . . . 1.0 . . . . . . . . . . . . A . 1 THR CB . . . . . . . . . c30356_6be9 1 . 20 . 1980 . 1 1 1 THR CG2 C 31.670 48.977 4.654 . . . 1.0 . . . . . . . . . . . . A . 1 THR CG2 . . . . . . . . . c30356_6be9 1 . 20 . 1981 . 1 1 1 THR H1 H 29.665 46.549 5.704 . . . 1.0 . . . . . . . . . . . . A . 1 THR H1 . . . . . . . . . c30356_6be9 1 . 20 . 1982 . 1 1 1 THR HA H 30.877 47.195 3.130 . . . 1.0 . . . . . . . . . . . . A . 1 THR HA . . . . . . . . . c30356_6be9 1 . 20 . 1983 . 1 1 1 THR HB H 32.978 47.303 4.594 . . . 1.0 . . . . . . . . . . . . A . 1 THR HB . . . . . . . . . c30356_6be9 1 . 20 . 1984 . 1 1 1 THR HG1 H 31.095 47.902 6.656 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG1 . . . . . . . . . c30356_6be9 1 . 20 . 1985 . 1 1 1 THR HG21 H 32.320 49.504 5.347 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG21 . . . . . . . . . c30356_6be9 1 . 20 . 1986 . 1 1 1 THR HG22 H 30.631 49.155 4.929 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG22 . . . . . . . . . c30356_6be9 1 . 20 . 1987 . 1 1 1 THR HG23 H 31.880 49.190 3.599 . . . 1.0 . . . . . . . . . . . . A . 1 THR HG23 . . . . . . . . . c30356_6be9 1 . 20 . 1988 . 1 1 1 THR N N 29.656 46.787 4.719 . . . 1.0 . . . . . . . . . . . . A . 1 THR N . . . . . . . . . c30356_6be9 1 . 20 . 1989 . 1 1 1 THR O O 32.537 44.974 3.517 . . . 1.0 . . . . . . . . . . . . A . 1 THR O . . . . . . . . . c30356_6be9 1 . 20 . 1990 . 1 1 1 THR OG1 O 31.784 47.332 6.299 . . . 1.0 . . . . . . . . . . . . A . 1 THR OG1 . . . . . . . . . c30356_6be9 1 . 20 . 1991 . 1 1 2 . C C 30.167 41.885 4.969 . . . 1.0 . . . . . . . . . . . . A . 2 DLY C . . . . . . . . . c30356_6be9 1 . 20 . 1992 . 1 1 2 . CA C 30.768 42.813 3.927 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CA . . . . . . . . . c30356_6be9 1 . 20 . 1993 . 1 1 2 . CB C 30.424 42.505 2.470 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CB . . . . . . . . . c30356_6be9 1 . 20 . 1994 . 1 1 2 . CD C 30.246 40.707 0.678 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CD . . . . . . . . . c30356_6be9 1 . 20 . 1995 . 1 1 2 . CE C 30.227 39.217 0.333 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CE . . . . . . . . . c30356_6be9 1 . 20 . 1996 . 1 1 2 . CG C 30.628 41.040 2.110 . . . 1.0 . . . . . . . . . . . . A . 2 DLY CG . . . . . . . . . c30356_6be9 1 . 20 . 1997 . 1 1 2 . H H 29.601 44.477 4.356 . . . 1.0 . . . . . . . . . . . . A . 2 DLY H . . . . . . . . . c30356_6be9 1 . 20 . 1998 . 1 1 2 . HA H 31.833 42.600 4.036 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HA . . . . . . . . . c30356_6be9 1 . 20 . 1999 . 1 1 2 . HB2 H 31.126 42.992 1.794 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB2 . . . . . . . . . c30356_6be9 1 . 20 . 2000 . 1 1 2 . HB3 H 29.379 42.754 2.319 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HB3 . . . . . . . . . c30356_6be9 1 . 20 . 2001 . 1 1 2 . HD2 H 30.942 41.191 -0.006 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD2 . . . . . . . . . c30356_6be9 1 . 20 . 2002 . 1 1 2 . HD3 H 29.206 41.006 0.568 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HD3 . . . . . . . . . c30356_6be9 1 . 20 . 2003 . 1 1 2 . HE2 H 29.565 38.718 1.051 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE2 . . . . . . . . . c30356_6be9 1 . 20 . 2004 . 1 1 2 . HE3 H 31.191 38.784 0.605 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HE3 . . . . . . . . . c30356_6be9 1 . 20 . 2005 . 1 1 2 . HG2 H 30.000 40.439 2.767 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG2 . . . . . . . . . c30356_6be9 1 . 20 . 2006 . 1 1 2 . HG3 H 31.647 40.658 2.244 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HG3 . . . . . . . . . c30356_6be9 1 . 20 . 2007 . 1 1 2 . HZ1 H 30.489 39.412 -1.685 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ1 . . . . . . . . . c30356_6be9 1 . 20 . 2008 . 1 1 2 . HZ2 H 28.943 39.100 -1.301 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ2 . . . . . . . . . c30356_6be9 1 . 20 . 2009 . 1 1 2 . HZ3 H 30.166 37.908 -1.105 . . . 1.0 . . . . . . . . . . . . A . 2 DLY HZ3 . . . . . . . . . c30356_6be9 1 . 20 . 2010 . 1 1 2 . N N 30.566 44.225 4.190 . . . 1.0 . . . . . . . . . . . . A . 2 DLY N . . . . . . . . . c30356_6be9 1 . 20 . 2011 . 1 1 2 . NZ N 29.897 38.878 -1.056 . . . 1.0 . . . . . . . . . . . . A . 2 DLY NZ . . . . . . . . . c30356_6be9 1 . 20 . 2012 . 1 1 2 . O O 30.736 40.839 5.292 . . . 1.0 . . . . . . . . . . . . A . 2 DLY O . . . . . . . . . c30356_6be9 1 . 20 . 2013 . 1 1 3 ASN C C 27.107 42.156 7.065 . . . 1.0 . . . . . . . . . . . . A . 3 ASN C . . . . . . . . . c30356_6be9 1 . 20 . 2014 . 1 1 3 ASN CA C 28.503 41.625 6.792 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CA . . . . . . . . . c30356_6be9 1 . 20 . 2015 . 1 1 3 ASN CB C 29.414 41.749 8.005 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CB . . . . . . . . . c30356_6be9 1 . 20 . 2016 . 1 1 3 ASN CG C 29.083 40.706 9.067 . . . 1.0 . . . . . . . . . . . . A . 3 ASN CG . . . . . . . . . c30356_6be9 1 . 20 . 2017 . 1 1 3 ASN H H 28.628 43.142 5.363 . . . 1.0 . . . . . . . . . . . . A . 3 ASN H . . . . . . . . . c30356_6be9 1 . 20 . 2018 . 1 1 3 ASN HA H 28.390 40.580 6.504 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HA . . . . . . . . . c30356_6be9 1 . 20 . 2019 . 1 1 3 ASN HB2 H 30.501 41.686 7.909 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB2 . . . . . . . . . c30356_6be9 1 . 20 . 2020 . 1 1 3 ASN HB3 H 29.237 42.697 8.503 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HB3 . . . . . . . . . c30356_6be9 1 . 20 . 2021 . 1 1 3 ASN HD21 H 29.641 41.904 10.698 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD21 . . . . . . . . . c30356_6be9 1 . 20 . 2022 . 1 1 3 ASN HD22 H 29.031 40.294 10.996 . . . 1.0 . . . . . . . . . . . . A . 3 ASN HD22 . . . . . . . . . c30356_6be9 1 . 20 . 2023 . 1 1 3 ASN N N 29.065 42.275 5.631 . . . 1.0 . . . . . . . . . . . . A . 3 ASN N . . . . . . . . . c30356_6be9 1 . 20 . 2024 . 1 1 3 ASN ND2 N 29.287 41.025 10.348 . . . 1.0 . . . . . . . . . . . . A . 3 ASN ND2 . . . . . . . . . c30356_6be9 1 . 20 . 2025 . 1 1 3 ASN O O 26.825 43.346 6.879 . . . 1.0 . . . . . . . . . . . . A . 3 ASN O . . . . . . . . . c30356_6be9 1 . 20 . 2026 . 1 1 3 ASN OD1 O 28.600 39.635 8.732 . . . 1.0 . . . . . . . . . . . . A . 3 ASN OD1 . . . . . . . . . c30356_6be9 1 . 20 . 2027 . 1 1 4 ASP C C 23.990 42.286 7.262 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c30356_6be9 1 . 20 . 2028 . 1 1 4 ASP CA C 24.955 41.601 8.218 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c30356_6be9 1 . 20 . 2029 . 1 1 4 ASP CB C 25.108 42.194 9.607 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c30356_6be9 1 . 20 . 2030 . 1 1 4 ASP CG C 23.764 42.284 10.332 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c30356_6be9 1 . 20 . 2031 . 1 1 4 ASP H H 26.620 40.430 8.036 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c30356_6be9 1 . 20 . 2032 . 1 1 4 ASP HA H 24.546 40.600 8.346 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c30356_6be9 1 . 20 . 2033 . 1 1 4 ASP HB2 H 25.758 41.546 10.191 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c30356_6be9 1 . 20 . 2034 . 1 1 4 ASP HB3 H 25.645 43.139 9.577 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c30356_6be9 1 . 20 . 2035 . 1 1 4 ASP N N 26.269 41.313 7.685 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c30356_6be9 1 . 20 . 2036 . 1 1 4 ASP O O 23.762 43.490 7.303 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c30356_6be9 1 . 20 . 2037 . 1 1 4 ASP OD1 O 23.452 43.384 10.839 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c30356_6be9 1 . 20 . 2038 . 1 1 4 ASP OD2 O 23.021 41.286 10.258 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c30356_6be9 1 . 20 . 2039 . 1 1 5 THR C C 23.360 43.152 4.383 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c30356_6be9 1 . 20 . 2040 . 1 1 5 THR CA C 22.800 41.935 5.110 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c30356_6be9 1 . 20 . 2041 . 1 1 5 THR CB C 21.307 41.953 5.426 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c30356_6be9 1 . 20 . 2042 . 1 1 5 THR CG2 C 20.418 41.686 4.216 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c30356_6be9 1 . 20 . 2043 . 1 1 5 THR H H 23.905 40.555 6.336 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c30356_6be9 1 . 20 . 2044 . 1 1 5 THR HA H 22.955 41.187 4.327 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c30356_6be9 1 . 20 . 2045 . 1 1 5 THR HB H 21.033 42.893 5.919 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c30356_6be9 1 . 20 . 2046 . 1 1 5 THR HG1 H 20.805 41.332 7.129 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c30356_6be9 1 . 20 . 2047 . 1 1 5 THR HG21 H 20.623 42.451 3.474 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c30356_6be9 1 . 20 . 2048 . 1 1 5 THR HG22 H 19.350 41.727 4.438 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c30356_6be9 1 . 20 . 2049 . 1 1 5 THR HG23 H 20.657 40.734 3.741 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c30356_6be9 1 . 20 . 2050 . 1 1 5 THR N N 23.601 41.517 6.244 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c30356_6be9 1 . 20 . 2051 . 1 1 5 THR O O 22.566 44.001 3.990 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c30356_6be9 1 . 20 . 2052 . 1 1 5 THR OG1 O 20.976 40.889 6.289 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c30356_6be9 1 . 20 . 2053 . 1 1 6 . C C 26.464 44.915 3.755 . . . 1.0 . . . . . . . . . . . . A . 6 DSG C . . . . . . . . . c30356_6be9 1 . 20 . 2054 . 1 1 6 . CA C 25.375 43.977 3.233 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CA . . . . . . . . . c30356_6be9 1 . 20 . 2055 . 1 1 6 . CB C 25.848 43.053 2.123 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CB . . . . . . . . . c30356_6be9 1 . 20 . 2056 . 1 1 6 . CG C 24.728 42.232 1.498 . . . 1.0 . . . . . . . . . . . . A . 6 DSG CG . . . . . . . . . c30356_6be9 1 . 20 . 2057 . 1 1 6 . H H 25.197 42.603 4.876 . . . 1.0 . . . . . . . . . . . . A . 6 DSG H . . . . . . . . . c30356_6be9 1 . 20 . 2058 . 1 1 6 . HA H 24.627 44.595 2.745 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HA . . . . . . . . . c30356_6be9 1 . 20 . 2059 . 1 1 6 . HB2 H 26.643 42.383 2.457 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB2 . . . . . . . . . c30356_6be9 1 . 20 . 2060 . 1 1 6 . HB3 H 26.303 43.703 1.377 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HB3 . . . . . . . . . c30356_6be9 1 . 20 . 2061 . 1 1 6 . HD21 H 25.136 40.521 2.621 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD21 . . . . . . . . . c30356_6be9 1 . 20 . 2062 . 1 1 6 . HD22 H 23.616 40.646 1.708 . . . 1.0 . . . . . . . . . . . . A . 6 DSG HD22 . . . . . . . . . c30356_6be9 1 . 20 . 2063 . 1 1 6 . N N 24.684 43.168 4.214 . . . 1.0 . . . . . . . . . . . . A . 6 DSG N . . . . . . . . . c30356_6be9 1 . 20 . 2064 . 1 1 6 . ND2 N 24.517 41.001 1.979 . . . 1.0 . . . . . . . . . . . . A . 6 DSG ND2 . . . . . . . . . c30356_6be9 1 . 20 . 2065 . 1 1 6 . O O 27.567 44.437 3.983 . . . 1.0 . . . . . . . . . . . . A . 6 DSG O . . . . . . . . . c30356_6be9 1 . 20 . 2066 . 1 1 6 . OD1 O 23.945 42.724 0.683 . . . 1.0 . . . . . . . . . . . . A . 6 DSG OD1 . . . . . . . . . c30356_6be9 1 . 20 . 2067 . 1 1 7 DPR C C 28.554 47.142 4.048 . . . 1.0 . . . . . . . . . . . . A . 7 DPR C . . . . . . . . . c30356_6be9 1 . 20 . 2068 . 1 1 7 DPR CA C 27.197 47.092 4.722 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CA . . . . . . . . . c30356_6be9 1 . 20 . 2069 . 1 1 7 DPR CB C 26.569 48.465 4.944 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CB . . . . . . . . . c30356_6be9 1 . 20 . 2070 . 1 1 7 DPR CD C 24.997 46.888 3.964 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CD . . . . . . . . . c30356_6be9 1 . 20 . 2071 . 1 1 7 DPR CG C 25.087 48.184 4.764 . . . 1.0 . . . . . . . . . . . . A . 7 DPR CG . . . . . . . . . c30356_6be9 1 . 20 . 2072 . 1 1 7 DPR HA H 27.287 46.693 5.726 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HA . . . . . . . . . c30356_6be9 1 . 20 . 2073 . 1 1 7 DPR HB2 H 26.819 49.263 4.235 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB2 . . . . . . . . . c30356_6be9 1 . 20 . 2074 . 1 1 7 DPR HB3 H 26.668 48.802 5.982 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HB3 . . . . . . . . . c30356_6be9 1 . 20 . 2075 . 1 1 7 DPR HD2 H 24.584 46.924 2.951 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD2 . . . . . . . . . c30356_6be9 1 . 20 . 2076 . 1 1 7 DPR HD3 H 24.250 46.291 4.498 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HD3 . . . . . . . . . c30356_6be9 1 . 20 . 2077 . 1 1 7 DPR HG2 H 24.440 48.988 4.400 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG2 . . . . . . . . . c30356_6be9 1 . 20 . 2078 . 1 1 7 DPR HG3 H 24.740 47.876 5.749 . . . 1.0 . . . . . . . . . . . . A . 7 DPR HG3 . . . . . . . . . c30356_6be9 1 . 20 . 2079 . 1 1 7 DPR N N 26.267 46.194 4.068 . . . 1.0 . . . . . . . . . . . . A . 7 DPR N . . . . . . . . . c30356_6be9 1 . 20 . 2080 . 1 1 7 DPR O O 28.596 47.423 2.853 . . . 1.0 . . . . . . . . . . . . A . 7 DPR O . . . . . . . . . c30356_6be9 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 c30356_6be9 _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 6be9.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30356_6be9 1 1 6be9.mr . . XPLOR/CNS 2 distance NOE simple 72 c30356_6be9 1 1 6be9.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30356_6be9 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 c30356_6be9 _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 . . . . c30356_6be9 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 THR HB H . . . 1 1 1 1 THR HA H . . . . . 3.2 2.0 4.4 . . . . . A . 1 THR HB . . A . 1 THR HA . . . 1 . HB . . . . . 1 . HA . . c30356_6be9 1 2 1 . . 1 1 3 3 ASN HA H . . . 1 1 3 3 ASN H H . . . . . 3.2 2.0 4.4 . . . . . A . 3 ASN HA . . A . 3 ASN H . . . 3 . HA . . . . . 3 . HN . . c30356_6be9 1 3 1 . . 1 1 3 3 ASN HB3 H . . . 1 1 4 4 ASP H H . . . . . 3.2 2.0 4.4 . . . . . A . 3 ASN HB3 . . A . 4 ASP H . . . 3 . HB2 . . . . . 4 . HN . . c30356_6be9 1 4 1 . . 1 1 4 4 ASP H H . . . 1 1 3 3 ASN HB2 H . . . . . 3.2 2.0 4.4 . . . . . A . 4 ASP H . . A . 3 ASN HB2 . . . 4 . HN . . . . . 3 . HB1 . . c30356_6be9 1 5 1 . . 1 1 4 4 ASP H H . . . 1 1 4 4 ASP HA H . . . . . 3.2 2.0 4.4 . . . . . A . 4 ASP H . . A . 4 ASP HA . . . 4 . HN . . . . . 4 . HA . . c30356_6be9 1 6 1 . . 1 1 4 4 ASP H H . . . 1 1 4 4 ASP HB3 H . . . . . 3.2 2.0 4.4 . . . . . A . 4 ASP H . . A . 4 ASP HB3 . . . 4 . HN . . . . . 4 . HB2 . . c30356_6be9 1 7 1 . . 1 1 4 4 ASP H H . . . 1 1 4 4 ASP HB2 H . . . . . 3.2 2.0 4.4 . . . . . A . 4 ASP H . . A . 4 ASP HB2 . . . 4 . HN . . . . . 4 . HB1 . . c30356_6be9 1 8 1 . . 1 1 5 5 THR HA H . . . 1 1 5 5 THR H H . . . . . 3.2 2.0 4.4 . . . . . A . 5 THR HA . . A . 5 THR H . . . 5 . HA . . . . . 5 . HN . . c30356_6be9 1 9 1 . . 1 1 4 4 ASP H H . . . 1 1 5 5 THR H H . . . . . 3.2 2.0 4.4 . . . . . A . 4 ASP H . . A . 5 THR H . . . 4 . HN . . . . . 5 . HN . . c30356_6be9 1 10 1 . . 1 1 7 7 DPR HA H . . . 1 1 7 7 DPR HB3 H . . . . . 3.2 2.0 4.4 . . . . . A . 7 DPR HA . . A . 7 DPR HB3 . . . 7 . HA . . . . . 7 . HB2 . . c30356_6be9 1 11 1 . . 1 1 3 3 ASN HB3 H . . . 1 1 3 3 ASN HD21 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 ASN HB3 . . A . 3 ASN HD21 . . . 3 . HB2 . . . . . 3 . HD21 . . c30356_6be9 1 12 1 . . 1 1 3 3 ASN H H . . . 1 1 3 3 ASN HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 ASN H . . A . 3 ASN HB3 . . . 3 . HN . . . . . 3 . HB2 . . c30356_6be9 1 13 1 . . 1 1 3 3 ASN HB2 H . . . 1 1 3 3 ASN HD21 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 ASN HB2 . . A . 3 ASN HD21 . . . 3 . HB1 . . . . . 3 . HD21 . . c30356_6be9 1 14 1 . . 1 1 3 3 ASN HB2 H . . . 1 1 3 3 ASN HD22 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 ASN HB2 . . A . 3 ASN HD22 . . . 3 . HB1 . . . . . 3 . HD22 . . c30356_6be9 1 15 1 . . 1 1 3 3 ASN H H . . . 1 1 3 3 ASN HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 ASN H . . A . 3 ASN HB2 . . . 3 . HN . . . . . 3 . HB1 . . c30356_6be9 1 16 1 . . 1 1 3 3 ASN HB2 H . . . 1 1 5 5 THR H H . . . . . 4.5 2.9 6.1 . . . . . A . 3 ASN HB2 . . A . 5 THR H . . . 3 . HB1 . . . . . 5 . HN . . c30356_6be9 1 17 1 . . 1 1 3 3 ASN H H . . . 1 1 3 3 ASN HD21 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 ASN H . . A . 3 ASN HD21 . . . 3 . HN . . . . . 3 . HD21 . . c30356_6be9 1 18 1 . . 1 1 3 3 ASN H H . . . 1 1 4 4 ASP H H . . . . . 4.5 2.9 6.1 . . . . . A . 3 ASN H . . A . 4 ASP H . . . 3 . HN . . . . . 4 . HN . . c30356_6be9 1 19 1 . . 1 1 3 3 ASN H H . . . 1 1 4 4 ASP HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 3 ASN H . . A . 4 ASP HB2 . . . 3 . HN . . . . . 4 . HB1 . . c30356_6be9 1 20 1 . . 1 1 4 4 ASP HB2 H . . . 1 1 5 5 THR H H . . . . . 4.5 2.9 6.1 . . . . . A . 4 ASP HB2 . . A . 5 THR H . . . 4 . HB1 . . . . . 5 . HN . . c30356_6be9 1 21 1 . . 1 1 5 5 THR H H . . . 1 1 5 5 THR HB H . . . . . 4.5 2.9 6.1 . . . . . A . 5 THR H . . A . 5 THR HB . . . 5 . HN . . . . . 5 . HB . . c30356_6be9 1 22 1 . . 1 1 7 7 DPR HA H . . . 1 1 7 7 DPR HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 DPR HA . . A . 7 DPR HB2 . . . 7 . HA . . . . . 7 . HB1 . . c30356_6be9 1 23 1 . . 1 1 7 7 DPR HA H . . . 1 1 7 7 DPR HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 DPR HA . . A . 7 DPR HG3 . . . 7 . HA . . . . . 7 . HG2 . . c30356_6be9 1 24 1 . . 1 1 7 7 DPR HD3 H . . . 1 1 7 7 DPR HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 DPR HD3 . . A . 7 DPR HB3 . . . 7 . HD2 . . . . . 7 . HB2 . . c30356_6be9 1 25 1 . . 1 1 7 7 DPR HD3 H . . . 1 1 7 7 DPR HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 DPR HD3 . . A . 7 DPR HB2 . . . 7 . HD2 . . . . . 7 . HB1 . . c30356_6be9 1 26 1 . . 1 1 7 7 DPR HD3 H . . . 1 1 7 7 DPR HG3 H . . . . . 3.5 2.3 4.7 . . . . . A . 7 DPR HD3 . . A . 7 DPR HG3 . . . 7 . HD2 . . . . . 7 . HG2 . . c30356_6be9 1 27 1 . . 1 1 7 7 DPR HD3 H . . . 1 1 7 7 DPR HG2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 DPR HD3 . . A . 7 DPR HG2 . . . 7 . HD2 . . . . . 7 . HG1 . . c30356_6be9 1 28 1 . . 1 1 7 7 DPR HD2 H . . . 1 1 7 7 DPR HB3 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 DPR HD2 . . A . 7 DPR HB3 . . . 7 . HD1 . . . . . 7 . HB2 . . c30356_6be9 1 29 1 . . 1 1 7 7 DPR HD2 H . . . 1 1 7 7 DPR HB2 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 DPR HD2 . . A . 7 DPR HB2 . . . 7 . HD1 . . . . . 7 . HB1 . . c30356_6be9 1 30 1 . . 1 1 7 7 DPR HD2 H . . . 1 1 7 7 DPR HG3 H . . . . . 4.5 2.9 6.1 . . . . . A . 7 DPR HD2 . . A . 7 DPR HG3 . . . 7 . HD1 . . . . . 7 . HG2 . . c30356_6be9 1 31 1 . . 1 1 7 7 DPR HD2 H . . . 1 1 7 7 DPR HG2 H . . . . . 3.5 2.3 4.7 . . . . . A . 7 DPR HD2 . . A . 7 DPR HG2 . . . 7 . HD1 . . . . . 7 . HG1 . . c30356_6be9 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: crazy_noe.tbl' 1 1 1 34 c30356_6be9 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 Crazy peptide ! Updated 022317 mds Crazy, 7mer THR lys ASN ASP THR asn pro 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 = 72 long range (j-i >6) = 2 short range (2 > j-i < 5) = 8 sequential (i to j) = 20 intraresidue (i to i) = 42 ------------------------------------------------------------------------! ; 2 1 21 75 c30356_6be9 1 2 'assign ( resid 3 and name HD22 ) ( resid 3 and name HD21 ) 3.2 1.2 1.2' 37 1 37 74 c30356_6be9 1 3 'assign ( resid 6 and name HD22 ) ( resid 6 and name HD21 ) 3.2 1.2 1.2' 49 1 49 74 c30356_6be9 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 2 1 "Not handling restraint 2, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30356_6be9 1 2 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .2.HA' (nmrStar names),' .2.HN' (nmrStar names) not linked" c30356_6be9 1 3 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .2.HN' (nmrStar names) not linked" c30356_6be9 1 4 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30356_6be9 1 5 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30356_6be9 1 6 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30356_6be9 1 7 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30356_6be9 1 8 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30356_6be9 1 9 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .1.HN' (nmrStar names),' .1.HG2#' (nmrStar names) not linked" c30356_6be9 1 10 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HB2' (nmrStar names) not linked" c30356_6be9 1 11 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .2.HB2' (nmrStar names) not linked" c30356_6be9 1 12 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HB1' (nmrStar names) not linked" c30356_6be9 1 13 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .2.HB1' (nmrStar names) not linked" c30356_6be9 1 14 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HD#' (nmrStar names) not linked" c30356_6be9 1 15 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HE#' (nmrStar names) not linked" c30356_6be9 1 16 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HG2' (nmrStar names) not linked" c30356_6be9 1 17 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .2.HN' (nmrStar names),' .2.HG1' (nmrStar names) not linked" c30356_6be9 1 18 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .6.HD22' (nmrStar names) not linked" c30356_6be9 1 19 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30356_6be9 1 20 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .5.HG2#' (nmrStar names) not linked" c30356_6be9 1 21 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .6.HN' (nmrStar names),' .5.HG2#' (nmrStar names) not linked" c30356_6be9 1 22 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .6.HA' (nmrStar names) not linked" c30356_6be9 1 23 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HA' (nmrStar names) not linked" c30356_6be9 1 24 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .2.HB2' (nmrStar names),' .6.HB2' (nmrStar names) not linked" c30356_6be9 1 25 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .2.HB1' (nmrStar names),' .6.HB2' (nmrStar names) not linked" c30356_6be9 1 26 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .6.HB2' (nmrStar names),' .6.HD21' (nmrStar names) not linked" c30356_6be9 1 27 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .6.HD22' (nmrStar names),' .6.HB2' (nmrStar names) not linked" c30356_6be9 1 28 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HB2' (nmrStar names) not linked" c30356_6be9 1 29 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .2.HB2' (nmrStar names),' .6.HB1' (nmrStar names) not linked" c30356_6be9 1 30 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .2.HB1' (nmrStar names),' .6.HB1' (nmrStar names) not linked" c30356_6be9 1 31 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .6.HD21' (nmrStar names),' .6.HB1' (nmrStar names) not linked" c30356_6be9 1 32 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .6.HD22' (nmrStar names),' .6.HB1' (nmrStar names) not linked" c30356_6be9 1 33 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HB1' (nmrStar names) not linked" c30356_6be9 1 34 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30356_6be9 1 35 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30356_6be9 1 36 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .1.HN' (nmrStar names) not linked" c30356_6be9 1 37 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .6.HB2' (nmrStar names) not linked" c30356_6be9 1 38 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .6.HB1' (nmrStar names) not linked" c30356_6be9 1 39 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .6.HB2' (nmrStar names) not linked" c30356_6be9 1 40 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .6.HB1' (nmrStar names) not linked" c30356_6be9 1 41 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30356_6be9 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 c30356_6be9 _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 6BE9 *TITLE SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN7.1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: T(DLY)NDT(DSG)(DPR); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_TAXID: 9606 *KEYWDS MACROCYCLE, DE NOVO, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,B.BAKER *REVDAT 1 27-DEC-17 6BE9 0' save_