data_6754 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6754 _Entry.Title ; Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments for the PDZ domain of alpha syntrophin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-27 _Entry.Accession_date 2005-07-27 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jing Yan . . . 6754 2 Wenyu Wen . . . 6754 3 Weiguang Xu . . . 6754 4 Jia-fu Long . . . 6754 5 Marvin Adams . E. . 6754 6 Stanley Froehner . C. . 6754 7 Mingjie Zhang . . . 6754 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6754 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 6754 '15N chemical shifts' 84 6754 '1H chemical shifts' 582 6754 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 . . 2007-01-29 2005-07-27 original author . 6754 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6754 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16252003 _Citation.Full_citation . _Citation.Title ; Structure of the split PH domain and distinct lipid-binding properties of the PH-PDZ supramodule of alpha-syntrophin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3985 _Citation.Page_last 3995 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jing Yan . . . 6754 1 2 Wenyu Wen . . . 6754 1 3 Weiguang Xu . . . 6754 1 4 Jia-fu Long . . . 6754 1 5 Marvin Adams . E. . 6754 1 6 Stanley Froehner . C. . 6754 1 7 Mingjie Zhang . . . 6754 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6754 _Assembly.ID 1 _Assembly.Name 'PDZ domain of alpha-syntrophin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 'PDZ domain' 1 $PDZ_domain_of_alpha-syntrophin . . no native no no . . . 6754 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PDZ_domain_of_alpha-syntrophin _Entity.Sf_category entity _Entity.Sf_framecode PDZ_domain_of_alpha-syntrophin _Entity.Entry_ID 6754 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RRRVTVRKADAGGLGISIKG GRENKMPILISKIFKGLAAD QTEALFVGDAILSVNGEDLS SATHDEAVQALKKTGKEVVL EVKYMKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6752 . PH-PDZ_tandem_of_alpha-syntrophin . . . . . 100.00 263 100.00 100.00 2.35e-52 . . . . 6754 1 2 no PDB 1QAV . "Unexpected Modes Of Pdz Domain Scaffolding Revealed By Structure Of Nnos-Syntrophin Complex" . . . . . 98.85 90 100.00 100.00 1.36e-52 . . . . 6754 1 3 no PDB 1Z86 . "Solution Structure Of The Pdz Domain Of Alpha-Syntrophin" . . . . . 100.00 87 100.00 100.00 2.46e-53 . . . . 6754 1 4 no PDB 1Z87 . "Solution Structure Of The Split Ph-Pdz Supramodule Of Alpha- Syntrophin" . . . . . 100.00 263 100.00 100.00 2.35e-52 . . . . 6754 1 5 no PDB 2PDZ . "Solution Structure Of The Syntrophin Pdz Domain In Complex With The Peptide Gvkeslv, Nmr, 15 Structures" . . . . . 98.85 86 100.00 100.00 1.32e-52 . . . . 6754 1 6 no PDB 4HOP . "Crystal Structure Of The Computationally Designed Nnos-syntrophin Complex" . . . . . 96.55 88 98.81 98.81 1.27e-49 . . . . 6754 1 7 no DBJ BAE23334 . "unnamed protein product [Mus musculus]" . . . . . 100.00 499 100.00 100.00 7.83e-48 . . . . 6754 1 8 no DBJ BAF84683 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 505 97.70 98.85 2.91e-46 . . . . 6754 1 9 no DBJ BAG63252 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 430 97.70 98.85 7.25e-47 . . . . 6754 1 10 no DBJ BAJ20452 . "syntrophin, alpha 1 [synthetic construct]" . . . . . 100.00 505 97.70 98.85 2.91e-46 . . . . 6754 1 11 no GB AAA68937 . "alpha-syntrophin [Oryctolagus cuniculus]" . . . . . 100.00 505 100.00 100.00 3.35e-47 . . . . 6754 1 12 no GB AAB36398 . "alpha 1 syntrophin [Homo sapiens]" . . . . . 100.00 505 97.70 98.85 1.89e-46 . . . . 6754 1 13 no GB AAC50448 . "alpha1-syntrophin [Homo sapiens]" . . . . . 100.00 505 97.70 98.85 2.91e-46 . . . . 6754 1 14 no GB AAC52119 . "alpha-syntrophin [Mus musculus]" . . . . . 100.00 503 100.00 100.00 8.35e-48 . . . . 6754 1 15 no GB AAH18546 . "Snta1 protein [Mus musculus]" . . . . . 100.00 499 100.00 100.00 5.57e-48 . . . . 6754 1 16 no PRF 2208351A . syntrophin:ISOTYPE=alpha1 . . . . . 100.00 505 97.70 98.85 2.91e-46 . . . . 6754 1 17 no PRF 2208451B . syntrophin . . . . . 100.00 503 98.85 98.85 1.03e-46 . . . . 6754 1 18 no REF NP_001069366 . "alpha-1-syntrophin [Bos taurus]" . . . . . 98.85 505 98.84 98.84 5.91e-46 . . . . 6754 1 19 no REF NP_001075802 . "alpha-1-syntrophin [Oryctolagus cuniculus]" . . . . . 100.00 505 100.00 100.00 3.35e-47 . . . . 6754 1 20 no REF NP_001094371 . "alpha-1-syntrophin [Rattus norvegicus]" . . . . . 100.00 499 100.00 100.00 1.06e-47 . . . . 6754 1 21 no REF NP_001253168 . "alpha-1-syntrophin [Macaca mulatta]" . . . . . 100.00 505 97.70 100.00 5.56e-46 . . . . 6754 1 22 no REF NP_003089 . "alpha-1-syntrophin [Homo sapiens]" . . . . . 100.00 505 97.70 98.85 2.91e-46 . . . . 6754 1 23 no SP Q0P5E6 . "RecName: Full=Alpha-1-syntrophin [Bos taurus]" . . . . . 98.85 505 98.84 98.84 5.91e-46 . . . . 6754 1 24 no SP Q13424 . "RecName: Full=Alpha-1-syntrophin; AltName: Full=59 kDa dystrophin-associated protein A1 acidic component 1; AltName: Full=Pro-T" . . . . . 100.00 505 97.70 98.85 2.91e-46 . . . . 6754 1 25 no SP Q28626 . "RecName: Full=Alpha-1-syntrophin; AltName: Full=59 kDa dystrophin-associated protein A1 acidic component 1; AltName: Full=59-1 " . . . . . 100.00 505 100.00 100.00 3.35e-47 . . . . 6754 1 26 no SP Q61234 . "RecName: Full=Alpha-1-syntrophin; AltName: Full=59 kDa dystrophin-associated protein A1 acidic component 1; AltName: Full=Syntr" . . . . . 100.00 503 100.00 100.00 8.35e-48 . . . . 6754 1 27 no TPG DAA23263 . "TPA: alpha-1-syntrophin [Bos taurus]" . . . . . 98.85 505 98.84 98.84 5.91e-46 . . . . 6754 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . 6754 1 2 . ARG . 6754 1 3 . ARG . 6754 1 4 . VAL . 6754 1 5 . THR . 6754 1 6 . VAL . 6754 1 7 . ARG . 6754 1 8 . LYS . 6754 1 9 . ALA . 6754 1 10 . ASP . 6754 1 11 . ALA . 6754 1 12 . GLY . 6754 1 13 . GLY . 6754 1 14 . LEU . 6754 1 15 . GLY . 6754 1 16 . ILE . 6754 1 17 . SER . 6754 1 18 . ILE . 6754 1 19 . LYS . 6754 1 20 . GLY . 6754 1 21 . GLY . 6754 1 22 . ARG . 6754 1 23 . GLU . 6754 1 24 . ASN . 6754 1 25 . LYS . 6754 1 26 . MET . 6754 1 27 . PRO . 6754 1 28 . ILE . 6754 1 29 . LEU . 6754 1 30 . ILE . 6754 1 31 . SER . 6754 1 32 . LYS . 6754 1 33 . ILE . 6754 1 34 . PHE . 6754 1 35 . LYS . 6754 1 36 . GLY . 6754 1 37 . LEU . 6754 1 38 . ALA . 6754 1 39 . ALA . 6754 1 40 . ASP . 6754 1 41 . GLN . 6754 1 42 . THR . 6754 1 43 . GLU . 6754 1 44 . ALA . 6754 1 45 . LEU . 6754 1 46 . PHE . 6754 1 47 . VAL . 6754 1 48 . GLY . 6754 1 49 . ASP . 6754 1 50 . ALA . 6754 1 51 . ILE . 6754 1 52 . LEU . 6754 1 53 . SER . 6754 1 54 . VAL . 6754 1 55 . ASN . 6754 1 56 . GLY . 6754 1 57 . GLU . 6754 1 58 . ASP . 6754 1 59 . LEU . 6754 1 60 . SER . 6754 1 61 . SER . 6754 1 62 . ALA . 6754 1 63 . THR . 6754 1 64 . HIS . 6754 1 65 . ASP . 6754 1 66 . GLU . 6754 1 67 . ALA . 6754 1 68 . VAL . 6754 1 69 . GLN . 6754 1 70 . ALA . 6754 1 71 . LEU . 6754 1 72 . LYS . 6754 1 73 . LYS . 6754 1 74 . THR . 6754 1 75 . GLY . 6754 1 76 . LYS . 6754 1 77 . GLU . 6754 1 78 . VAL . 6754 1 79 . VAL . 6754 1 80 . LEU . 6754 1 81 . GLU . 6754 1 82 . VAL . 6754 1 83 . LYS . 6754 1 84 . TYR . 6754 1 85 . MET . 6754 1 86 . LYS . 6754 1 87 . GLU . 6754 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 . ARG 1 1 6754 1 . ARG 2 2 6754 1 . ARG 3 3 6754 1 . VAL 4 4 6754 1 . THR 5 5 6754 1 . VAL 6 6 6754 1 . ARG 7 7 6754 1 . LYS 8 8 6754 1 . ALA 9 9 6754 1 . ASP 10 10 6754 1 . ALA 11 11 6754 1 . GLY 12 12 6754 1 . GLY 13 13 6754 1 . LEU 14 14 6754 1 . GLY 15 15 6754 1 . ILE 16 16 6754 1 . SER 17 17 6754 1 . ILE 18 18 6754 1 . LYS 19 19 6754 1 . GLY 20 20 6754 1 . GLY 21 21 6754 1 . ARG 22 22 6754 1 . GLU 23 23 6754 1 . ASN 24 24 6754 1 . LYS 25 25 6754 1 . MET 26 26 6754 1 . PRO 27 27 6754 1 . ILE 28 28 6754 1 . LEU 29 29 6754 1 . ILE 30 30 6754 1 . SER 31 31 6754 1 . LYS 32 32 6754 1 . ILE 33 33 6754 1 . PHE 34 34 6754 1 . LYS 35 35 6754 1 . GLY 36 36 6754 1 . LEU 37 37 6754 1 . ALA 38 38 6754 1 . ALA 39 39 6754 1 . ASP 40 40 6754 1 . GLN 41 41 6754 1 . THR 42 42 6754 1 . GLU 43 43 6754 1 . ALA 44 44 6754 1 . LEU 45 45 6754 1 . PHE 46 46 6754 1 . VAL 47 47 6754 1 . GLY 48 48 6754 1 . ASP 49 49 6754 1 . ALA 50 50 6754 1 . ILE 51 51 6754 1 . LEU 52 52 6754 1 . SER 53 53 6754 1 . VAL 54 54 6754 1 . ASN 55 55 6754 1 . GLY 56 56 6754 1 . GLU 57 57 6754 1 . ASP 58 58 6754 1 . LEU 59 59 6754 1 . SER 60 60 6754 1 . SER 61 61 6754 1 . ALA 62 62 6754 1 . THR 63 63 6754 1 . HIS 64 64 6754 1 . ASP 65 65 6754 1 . GLU 66 66 6754 1 . ALA 67 67 6754 1 . VAL 68 68 6754 1 . GLN 69 69 6754 1 . ALA 70 70 6754 1 . LEU 71 71 6754 1 . LYS 72 72 6754 1 . LYS 73 73 6754 1 . THR 74 74 6754 1 . GLY 75 75 6754 1 . LYS 76 76 6754 1 . GLU 77 77 6754 1 . VAL 78 78 6754 1 . VAL 79 79 6754 1 . LEU 80 80 6754 1 . GLU 81 81 6754 1 . VAL 82 82 6754 1 . LYS 83 83 6754 1 . TYR 84 84 6754 1 . MET 85 85 6754 1 . LYS 86 86 6754 1 . GLU 87 87 6754 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 6754 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PDZ_domain_of_alpha-syntrophin . 10090 . yes . Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6754 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 6754 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PDZ_domain_of_alpha-syntrophin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6754 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6754 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'PDZ domain' '[U-13C; U-15N]' . . 1 $PDZ_domain_of_alpha-syntrophin . . 1 . . mM . . . . 6754 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6754 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'PDZ domain' [U-15N] . . 1 $PDZ_domain_of_alpha-syntrophin . . 1 . . mM . . . . 6754 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6754 _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 pH 7 0.5 pH 6754 1 temperature 303 . K 6754 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 6754 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6754 _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 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6754 1 2 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6754 1 3 HN(CO)CA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6754 1 4 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6754 1 5 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6754 1 6 HCCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6754 1 7 '3D 15N-separated NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6754 1 8 '3D 15C-separated NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6754 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6754 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6754 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6754 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6754 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6754 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6754 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG H H 1 8.6700 0.04 . . . . . . 1 ARG H . 6754 1 2 . 1 1 1 1 ARG HA H 1 4.3000 0.04 . . . . . . 1 ARG HA . 6754 1 3 . 1 1 1 1 ARG HB2 H 1 1.8000 0.04 . . . . . . 1 ARG HB1 . 6754 1 4 . 1 1 1 1 ARG HB3 H 1 1.7100 0.04 . . . . . . 1 ARG HB2 . 6754 1 5 . 1 1 1 1 ARG HG2 H 1 1.4700 0.04 . . . . . . 1 ARG HG . 6754 1 6 . 1 1 1 1 ARG HG3 H 1 1.4700 0.04 . . . . . . 1 ARG HG . 6754 1 7 . 1 1 1 1 ARG HD2 H 1 3.2300 0.04 . . . . . . 1 ARG HD . 6754 1 8 . 1 1 1 1 ARG HD3 H 1 3.2300 0.04 . . . . . . 1 ARG HD . 6754 1 9 . 1 1 1 1 ARG CA C 13 56.6100 0.50 . . . . . . 1 ARG CA . 6754 1 10 . 1 1 1 1 ARG CB C 13 29.4400 0.50 . . . . . . 1 ARG CB . 6754 1 11 . 1 1 1 1 ARG CG C 13 25.6300 0.50 . . . . . . 1 ARG CG . 6754 1 12 . 1 1 1 1 ARG CD C 13 43.5600 0.50 . . . . . . 1 ARG CD . 6754 1 13 . 1 1 1 1 ARG N N 15 124.0200 0.40 . . . . . . 1 ARG N . 6754 1 14 . 1 1 2 2 ARG H H 1 9.3300 0.04 . . . . . . 2 ARG H . 6754 1 15 . 1 1 2 2 ARG HA H 1 4.8200 0.04 . . . . . . 2 ARG HA . 6754 1 16 . 1 1 2 2 ARG HB2 H 1 1.8000 0.04 . . . . . . 2 ARG HB1 . 6754 1 17 . 1 1 2 2 ARG HB3 H 1 1.7000 0.04 . . . . . . 2 ARG HB2 . 6754 1 18 . 1 1 2 2 ARG HG2 H 1 1.6000 0.04 . . . . . . 2 ARG HG1 . 6754 1 19 . 1 1 2 2 ARG HG3 H 1 1.4200 0.04 . . . . . . 2 ARG HG2 . 6754 1 20 . 1 1 2 2 ARG HD2 H 1 3.1700 0.04 . . . . . . 2 ARG HD . 6754 1 21 . 1 1 2 2 ARG HD3 H 1 3.1700 0.04 . . . . . . 2 ARG HD . 6754 1 22 . 1 1 2 2 ARG CA C 13 56.6100 0.50 . . . . . . 2 ARG CA . 6754 1 23 . 1 1 2 2 ARG CB C 13 32.0200 0.50 . . . . . . 2 ARG CB . 6754 1 24 . 1 1 2 2 ARG CG C 13 28.0900 0.50 . . . . . . 2 ARG CG . 6754 1 25 . 1 1 2 2 ARG CD C 13 43.9800 0.50 . . . . . . 2 ARG CD . 6754 1 26 . 1 1 2 2 ARG N N 15 124.1800 0.40 . . . . . . 2 ARG N . 6754 1 27 . 1 1 3 3 ARG H H 1 8.5200 0.04 . . . . . . 3 ARG H . 6754 1 28 . 1 1 3 3 ARG HA H 1 5.1500 0.04 . . . . . . 3 ARG HA . 6754 1 29 . 1 1 3 3 ARG HB2 H 1 1.6700 0.04 . . . . . . 3 ARG HB . 6754 1 30 . 1 1 3 3 ARG HB3 H 1 1.6700 0.04 . . . . . . 3 ARG HB . 6754 1 31 . 1 1 3 3 ARG HG2 H 1 1.4200 0.04 . . . . . . 3 ARG HG . 6754 1 32 . 1 1 3 3 ARG HG3 H 1 1.4200 0.04 . . . . . . 3 ARG HG . 6754 1 33 . 1 1 3 3 ARG HD2 H 1 3.1100 0.04 . . . . . . 3 ARG HD . 6754 1 34 . 1 1 3 3 ARG HD3 H 1 3.1100 0.04 . . . . . . 3 ARG HD . 6754 1 35 . 1 1 3 3 ARG CA C 13 55.4900 0.50 . . . . . . 3 ARG CA . 6754 1 36 . 1 1 3 3 ARG CB C 13 32.3700 0.50 . . . . . . 3 ARG CB . 6754 1 37 . 1 1 3 3 ARG CG C 13 28.4400 0.50 . . . . . . 3 ARG CG . 6754 1 38 . 1 1 3 3 ARG CD C 13 43.8700 0.50 . . . . . . 3 ARG CD . 6754 1 39 . 1 1 3 3 ARG N N 15 122.5300 0.40 . . . . . . 3 ARG N . 6754 1 40 . 1 1 4 4 VAL H H 1 9.2800 0.04 . . . . . . 4 VAL H . 6754 1 41 . 1 1 4 4 VAL HA H 1 4.3000 0.04 . . . . . . 4 VAL HA . 6754 1 42 . 1 1 4 4 VAL HB H 1 1.8000 0.04 . . . . . . 4 VAL HB . 6754 1 43 . 1 1 4 4 VAL HG11 H 1 0.8100 0.04 . . . . . . 4 VAL HG1 . 6754 1 44 . 1 1 4 4 VAL HG12 H 1 0.8100 0.04 . . . . . . 4 VAL HG1 . 6754 1 45 . 1 1 4 4 VAL HG13 H 1 0.8100 0.04 . . . . . . 4 VAL HG1 . 6754 1 46 . 1 1 4 4 VAL CA C 13 62.0000 0.50 . . . . . . 4 VAL CA . 6754 1 47 . 1 1 4 4 VAL CB C 13 36.8500 0.50 . . . . . . 4 VAL CB . 6754 1 48 . 1 1 4 4 VAL CG1 C 13 21.5700 0.50 . . . . . . 4 VAL CG1 . 6754 1 49 . 1 1 4 4 VAL CG2 C 13 21.2400 0.50 . . . . . . 4 VAL CG2 . 6754 1 50 . 1 1 4 4 VAL N N 15 127.7400 0.40 . . . . . . 4 VAL N . 6754 1 51 . 1 1 5 5 THR H H 1 8.6700 0.04 . . . . . . 5 THR H . 6754 1 52 . 1 1 5 5 THR HA H 1 4.9000 0.04 . . . . . . 5 THR HA . 6754 1 53 . 1 1 5 5 THR HB H 1 3.9700 0.04 . . . . . . 5 THR HB . 6754 1 54 . 1 1 5 5 THR HG21 H 1 0.9900 0.04 . . . . . . 5 THR HG2 . 6754 1 55 . 1 1 5 5 THR HG22 H 1 0.9900 0.04 . . . . . . 5 THR HG2 . 6754 1 56 . 1 1 5 5 THR HG23 H 1 0.9900 0.04 . . . . . . 5 THR HG2 . 6754 1 57 . 1 1 5 5 THR CA C 13 63.0800 0.50 . . . . . . 5 THR CA . 6754 1 58 . 1 1 5 5 THR CB C 13 69.6900 0.50 . . . . . . 5 THR CB . 6754 1 59 . 1 1 5 5 THR CG2 C 13 22.1300 0.50 . . . . . . 5 THR CG2 . 6754 1 60 . 1 1 5 5 THR N N 15 124.0200 0.40 . . . . . . 5 THR N . 6754 1 61 . 1 1 6 6 VAL H H 1 9.4600 0.04 . . . . . . 6 VAL H . 6754 1 62 . 1 1 6 6 VAL HA H 1 4.0100 0.04 . . . . . . 6 VAL HA . 6754 1 63 . 1 1 6 6 VAL HB H 1 1.9100 0.04 . . . . . . 6 VAL HB . 6754 1 64 . 1 1 6 6 VAL HG11 H 1 0.8000 0.04 . . . . . . 6 VAL HG1 . 6754 1 65 . 1 1 6 6 VAL HG12 H 1 0.8000 0.04 . . . . . . 6 VAL HG1 . 6754 1 66 . 1 1 6 6 VAL HG13 H 1 0.8000 0.04 . . . . . . 6 VAL HG1 . 6754 1 67 . 1 1 6 6 VAL HG21 H 1 0.7200 0.04 . . . . . . 6 VAL HG2 . 6754 1 68 . 1 1 6 6 VAL HG22 H 1 0.7200 0.04 . . . . . . 6 VAL HG2 . 6754 1 69 . 1 1 6 6 VAL HG23 H 1 0.7200 0.04 . . . . . . 6 VAL HG2 . 6754 1 70 . 1 1 6 6 VAL CA C 13 61.4600 0.50 . . . . . . 6 VAL CA . 6754 1 71 . 1 1 6 6 VAL CB C 13 33.7200 0.50 . . . . . . 6 VAL CB . 6754 1 72 . 1 1 6 6 VAL CG1 C 13 21.9700 0.50 . . . . . . 6 VAL CG1 . 6754 1 73 . 1 1 6 6 VAL CG2 C 13 23.2000 0.50 . . . . . . 6 VAL CG2 . 6754 1 74 . 1 1 6 6 VAL N N 15 127.8300 0.40 . . . . . . 6 VAL N . 6754 1 75 . 1 1 7 7 ARG H H 1 8.3900 0.04 . . . . . . 7 ARG H . 6754 1 76 . 1 1 7 7 ARG HA H 1 4.9300 0.04 . . . . . . 7 ARG HA . 6754 1 77 . 1 1 7 7 ARG HB2 H 1 1.8000 0.04 . . . . . . 7 ARG HB1 . 6754 1 78 . 1 1 7 7 ARG HB3 H 1 1.6600 0.04 . . . . . . 7 ARG HB2 . 6754 1 79 . 1 1 7 7 ARG HG2 H 1 1.5100 0.04 . . . . . . 7 ARG HG . 6754 1 80 . 1 1 7 7 ARG HG3 H 1 1.5100 0.04 . . . . . . 7 ARG HG . 6754 1 81 . 1 1 7 7 ARG HD2 H 1 3.1800 0.04 . . . . . . 7 ARG HD . 6754 1 82 . 1 1 7 7 ARG HD3 H 1 3.1800 0.04 . . . . . . 7 ARG HD . 6754 1 83 . 1 1 7 7 ARG CA C 13 55.4900 0.50 . . . . . . 7 ARG CA . 6754 1 84 . 1 1 7 7 ARG CB C 13 31.0500 0.50 . . . . . . 7 ARG CB . 6754 1 85 . 1 1 7 7 ARG CG C 13 28.5200 0.50 . . . . . . 7 ARG CG . 6754 1 86 . 1 1 7 7 ARG CD C 13 43.6800 0.50 . . . . . . 7 ARG CD . 6754 1 87 . 1 1 7 7 ARG N N 15 127.1000 0.40 . . . . . . 7 ARG N . 6754 1 88 . 1 1 8 8 LYS H H 1 8.6700 0.04 . . . . . . 8 LYS H . 6754 1 89 . 1 1 8 8 LYS HA H 1 4.0700 0.04 . . . . . . 8 LYS HA . 6754 1 90 . 1 1 8 8 LYS HB2 H 1 1.8200 0.04 . . . . . . 8 LYS HB1 . 6754 1 91 . 1 1 8 8 LYS HB3 H 1 1.6800 0.04 . . . . . . 8 LYS HB2 . 6754 1 92 . 1 1 8 8 LYS HG2 H 1 1.1300 0.04 . . . . . . 8 LYS HG . 6754 1 93 . 1 1 8 8 LYS HG3 H 1 1.1300 0.04 . . . . . . 8 LYS HG . 6754 1 94 . 1 1 8 8 LYS HD2 H 1 1.5400 0.04 . . . . . . 8 LYS HD1 . 6754 1 95 . 1 1 8 8 LYS HD3 H 1 1.3200 0.04 . . . . . . 8 LYS HD2 . 6754 1 96 . 1 1 8 8 LYS HE2 H 1 2.8300 0.04 . . . . . . 8 LYS HE . 6754 1 97 . 1 1 8 8 LYS HE3 H 1 2.8300 0.04 . . . . . . 8 LYS HE . 6754 1 98 . 1 1 8 8 LYS CA C 13 56.9800 0.50 . . . . . . 8 LYS CA . 6754 1 99 . 1 1 8 8 LYS CB C 13 33.9800 0.50 . . . . . . 8 LYS CB . 6754 1 100 . 1 1 8 8 LYS CG C 13 24.91 0.50 . . . . . . 8 LYS CG . 6754 1 101 . 1 1 8 8 LYS CD C 13 30.2600 0.50 . . . . . . 8 LYS CD . 6754 1 102 . 1 1 8 8 LYS CE C 13 42.6100 0.50 . . . . . . 8 LYS CE . 6754 1 103 . 1 1 8 8 LYS N N 15 122.4700 0.40 . . . . . . 8 LYS N . 6754 1 104 . 1 1 9 9 ALA H H 1 8.2800 0.04 . . . . . . 9 ALA H . 6754 1 105 . 1 1 9 9 ALA HA H 1 4.3400 0.04 . . . . . . 9 ALA HA . 6754 1 106 . 1 1 9 9 ALA HB1 H 1 1.4100 0.04 . . . . . . 9 ALA HB . 6754 1 107 . 1 1 9 9 ALA HB2 H 1 1.4100 0.04 . . . . . . 9 ALA HB . 6754 1 108 . 1 1 9 9 ALA HB3 H 1 1.4100 0.04 . . . . . . 9 ALA HB . 6754 1 109 . 1 1 9 9 ALA CA C 13 52.5700 0.50 . . . . . . 9 ALA CA . 6754 1 110 . 1 1 9 9 ALA CB C 13 19.7800 0.50 . . . . . . 9 ALA CB . 6754 1 111 . 1 1 9 9 ALA N N 15 123.4000 0.40 . . . . . . 9 ALA N . 6754 1 112 . 1 1 10 10 ASP H H 1 8.3700 0.04 . . . . . . 10 ASP H . 6754 1 113 . 1 1 10 10 ASP HA H 1 4.4300 0.04 . . . . . . 10 ASP HA . 6754 1 114 . 1 1 10 10 ASP HB2 H 1 2.6600 0.04 . . . . . . 10 ASP HB . 6754 1 115 . 1 1 10 10 ASP HB3 H 1 2.6600 0.04 . . . . . . 10 ASP HB . 6754 1 116 . 1 1 10 10 ASP CA C 13 55.8600 0.50 . . . . . . 10 ASP CA . 6754 1 117 . 1 1 10 10 ASP CB C 13 41.4700 0.50 . . . . . . 10 ASP CB . 6754 1 118 . 1 1 10 10 ASP N N 15 118.9800 0.40 . . . . . . 10 ASP N . 6754 1 119 . 1 1 11 11 ALA H H 1 8.0600 0.04 . . . . . . 11 ALA H . 6754 1 120 . 1 1 11 11 ALA HA H 1 4.4200 0.04 . . . . . . 11 ALA HA . 6754 1 121 . 1 1 11 11 ALA HB1 H 1 1.4000 0.04 . . . . . . 11 ALA HB . 6754 1 122 . 1 1 11 11 ALA HB2 H 1 1.4000 0.04 . . . . . . 11 ALA HB . 6754 1 123 . 1 1 11 11 ALA HB3 H 1 1.4000 0.04 . . . . . . 11 ALA HB . 6754 1 124 . 1 1 11 11 ALA CA C 13 52.6600 0.50 . . . . . . 11 ALA CA . 6754 1 125 . 1 1 11 11 ALA CB C 13 19.3600 0.50 . . . . . . 11 ALA CB . 6754 1 126 . 1 1 11 11 ALA N N 15 121.0000 0.40 . . . . . . 11 ALA N . 6754 1 127 . 1 1 12 12 GLY H H 1 8.3010 0.04 . . . . . . 12 GLY H . 6754 1 128 . 1 1 12 12 GLY HA2 H 1 4.2600 0.04 . . . . . . 12 GLY HA1 . 6754 1 129 . 1 1 12 12 GLY HA3 H 1 3.9000 0.04 . . . . . . 12 GLY HA2 . 6754 1 130 . 1 1 12 12 GLY CA C 13 45.7900 0.50 . . . . . . 12 GLY CA . 6754 1 131 . 1 1 12 12 GLY N N 15 107.3000 0.40 . . . . . . 12 GLY N . 6754 1 132 . 1 1 13 13 GLY H H 1 8.0500 0.04 . . . . . . 13 GLY H . 6754 1 133 . 1 1 13 13 GLY HA2 H 1 4.0400 0.04 . . . . . . 13 GLY HA . 6754 1 134 . 1 1 13 13 GLY HA3 H 1 4.0400 0.04 . . . . . . 13 GLY HA . 6754 1 135 . 1 1 13 13 GLY CA C 13 46.1700 0.50 . . . . . . 13 GLY CA . 6754 1 136 . 1 1 13 13 GLY N N 15 107.5400 0.40 . . . . . . 13 GLY N . 6754 1 137 . 1 1 14 14 LEU HA H 1 4.1000 0.04 . . . . . . 14 LEU HA . 6754 1 138 . 1 1 14 14 LEU HB2 H 1 1.8000 0.04 . . . . . . 14 LEU HB1 . 6754 1 139 . 1 1 14 14 LEU HB3 H 1 1.5700 0.04 . . . . . . 14 LEU HB2 . 6754 1 140 . 1 1 14 14 LEU HG H 1 1.7300 0.04 . . . . . . 14 LEU HG . 6754 1 141 . 1 1 14 14 LEU HD11 H 1 0.9500 0.04 . . . . . . 14 LEU HD1 . 6754 1 142 . 1 1 14 14 LEU HD12 H 1 0.9500 0.04 . . . . . . 14 LEU HD1 . 6754 1 143 . 1 1 14 14 LEU HD13 H 1 0.9500 0.04 . . . . . . 14 LEU HD1 . 6754 1 144 . 1 1 14 14 LEU HD21 H 1 0.8200 0.04 . . . . . . 14 LEU HD2 . 6754 1 145 . 1 1 14 14 LEU HD22 H 1 0.8200 0.04 . . . . . . 14 LEU HD2 . 6754 1 146 . 1 1 14 14 LEU HD23 H 1 0.8200 0.04 . . . . . . 14 LEU HD2 . 6754 1 147 . 1 1 14 14 LEU CA C 13 57.3800 0.50 . . . . . . 14 LEU CA . 6754 1 148 . 1 1 14 14 LEU CB C 13 43.7500 0.50 . . . . . . 14 LEU CB . 6754 1 149 . 1 1 14 14 LEU CG C 13 27.9000 0.50 . . . . . . 14 LEU CG . 6754 1 150 . 1 1 14 14 LEU CD1 C 13 26.2300 0.50 . . . . . . 14 LEU CD1 . 6754 1 151 . 1 1 14 14 LEU CD2 C 13 25.2900 0.50 . . . . . . 14 LEU CD2 . 6754 1 152 . 1 1 15 15 GLY H H 1 8.6100 0.04 . . . . . . 15 GLY H . 6754 1 153 . 1 1 15 15 GLY HA2 H 1 4.1100 0.04 . . . . . . 15 GLY HA1 . 6754 1 154 . 1 1 15 15 GLY HA3 H 1 3.7700 0.04 . . . . . . 15 GLY HA2 . 6754 1 155 . 1 1 15 15 GLY CA C 13 48.4100 0.50 . . . . . . 15 GLY CA . 6754 1 156 . 1 1 15 15 GLY N N 15 104.2500 0.40 . . . . . . 15 GLY N . 6754 1 157 . 1 1 16 16 ILE H H 1 7.5900 0.04 . . . . . . 16 ILE H . 6754 1 158 . 1 1 16 16 ILE HA H 1 5.2100 0.04 . . . . . . 16 ILE HA . 6754 1 159 . 1 1 16 16 ILE HB H 1 1.8300 0.04 . . . . . . 16 ILE HB . 6754 1 160 . 1 1 16 16 ILE HG12 H 1 1.3100 0.04 . . . . . . 16 ILE HG1 . 6754 1 161 . 1 1 16 16 ILE HG13 H 1 1.3100 0.04 . . . . . . 16 ILE HG1 . 6754 1 162 . 1 1 16 16 ILE HG21 H 1 0.8000 0.04 . . . . . . 16 ILE HG2 . 6754 1 163 . 1 1 16 16 ILE HG22 H 1 0.8000 0.04 . . . . . . 16 ILE HG2 . 6754 1 164 . 1 1 16 16 ILE HG23 H 1 0.8000 0.04 . . . . . . 16 ILE HG2 . 6754 1 165 . 1 1 16 16 ILE HD11 H 1 0.6400 0.04 . . . . . . 16 ILE HD1 . 6754 1 166 . 1 1 16 16 ILE HD12 H 1 0.6400 0.04 . . . . . . 16 ILE HD1 . 6754 1 167 . 1 1 16 16 ILE HD13 H 1 0.6400 0.04 . . . . . . 16 ILE HD1 . 6754 1 168 . 1 1 16 16 ILE CA C 13 59.9100 0.50 . . . . . . 16 ILE CA . 6754 1 169 . 1 1 16 16 ILE CB C 13 43.2000 0.50 . . . . . . 16 ILE CB . 6754 1 170 . 1 1 16 16 ILE CG1 C 13 25.6100 0.50 . . . . . . 16 ILE CG1 . 6754 1 171 . 1 1 16 16 ILE CG2 C 13 19.1000 0.50 . . . . . . 16 ILE CG2 . 6754 1 172 . 1 1 16 16 ILE CD1 C 13 13.9400 0.50 . . . . . . 16 ILE CD1 . 6754 1 173 . 1 1 16 16 ILE N N 15 113.5200 0.40 . . . . . . 16 ILE N . 6754 1 174 . 1 1 17 17 SER H H 1 8.5500 0.04 . . . . . . 17 SER H . 6754 1 175 . 1 1 17 17 SER HA H 1 5.0100 0.04 . . . . . . 17 SER HA . 6754 1 176 . 1 1 17 17 SER HB2 H 1 3.9200 0.04 . . . . . . 17 SER HB1 . 6754 1 177 . 1 1 17 17 SER HB3 H 1 3.7000 0.04 . . . . . . 17 SER HB2 . 6754 1 178 . 1 1 17 17 SER CA C 13 57.6100 0.50 . . . . . . 17 SER CA . 6754 1 179 . 1 1 17 17 SER CB C 13 65.7400 0.50 . . . . . . 17 SER CB . 6754 1 180 . 1 1 17 17 SER N N 15 118.2500 0.40 . . . . . . 17 SER N . 6754 1 181 . 1 1 18 18 ILE H H 1 8.5700 0.04 . . . . . . 18 ILE H . 6754 1 182 . 1 1 18 18 ILE HA H 1 5.6200 0.04 . . . . . . 18 ILE HA . 6754 1 183 . 1 1 18 18 ILE HB H 1 1.7900 0.04 . . . . . . 18 ILE HB . 6754 1 184 . 1 1 18 18 ILE HG12 H 1 1.3300 0.04 . . . . . . 18 ILE HG11 . 6754 1 185 . 1 1 18 18 ILE HG13 H 1 0.8900 0.04 . . . . . . 18 ILE HG12 . 6754 1 186 . 1 1 18 18 ILE HG21 H 1 0.6100 0.04 . . . . . . 18 ILE HG2 . 6754 1 187 . 1 1 18 18 ILE HG22 H 1 0.6100 0.04 . . . . . . 18 ILE HG2 . 6754 1 188 . 1 1 18 18 ILE HG23 H 1 0.6100 0.04 . . . . . . 18 ILE HG2 . 6754 1 189 . 1 1 18 18 ILE HD11 H 1 0.4800 0.04 . . . . . . 18 ILE HD1 . 6754 1 190 . 1 1 18 18 ILE HD12 H 1 0.4800 0.04 . . . . . . 18 ILE HD1 . 6754 1 191 . 1 1 18 18 ILE HD13 H 1 0.4800 0.04 . . . . . . 18 ILE HD1 . 6754 1 192 . 1 1 18 18 ILE CA C 13 59.2900 0.50 . . . . . . 18 ILE CA . 6754 1 193 . 1 1 18 18 ILE CB C 13 43.5800 0.50 . . . . . . 18 ILE CB . 6754 1 194 . 1 1 18 18 ILE CG1 C 13 25.9200 0.50 . . . . . . 18 ILE CG1 . 6754 1 195 . 1 1 18 18 ILE CG2 C 13 19.5900 0.50 . . . . . . 18 ILE CG2 . 6754 1 196 . 1 1 18 18 ILE CD1 C 13 15.5800 0.50 . . . . . . 18 ILE CD1 . 6754 1 197 . 1 1 18 18 ILE N N 15 116.2500 0.40 . . . . . . 18 ILE N . 6754 1 198 . 1 1 19 19 LYS H H 1 9.3400 0.04 . . . . . . 19 LYS H . 6754 1 199 . 1 1 19 19 LYS HA H 1 4.8300 0.04 . . . . . . 19 LYS HA . 6754 1 200 . 1 1 19 19 LYS HB2 H 1 1.9300 0.04 . . . . . . 19 LYS HB1 . 6754 1 201 . 1 1 19 19 LYS HB3 H 1 1.7800 0.04 . . . . . . 19 LYS HB2 . 6754 1 202 . 1 1 19 19 LYS HG2 H 1 1.3200 0.04 . . . . . . 19 LYS HG1 . 6754 1 203 . 1 1 19 19 LYS HG3 H 1 1.1900 0.04 . . . . . . 19 LYS HG2 . 6754 1 204 . 1 1 19 19 LYS HD2 H 1 1.6500 0.04 . . . . . . 19 LYS HD . 6754 1 205 . 1 1 19 19 LYS HD3 H 1 1.6500 0.04 . . . . . . 19 LYS HD . 6754 1 206 . 1 1 19 19 LYS HE2 H 1 2.9000 0.04 . . . . . . 19 LYS HE . 6754 1 207 . 1 1 19 19 LYS HE3 H 1 2.9000 0.04 . . . . . . 19 LYS HE . 6754 1 208 . 1 1 19 19 LYS CA C 13 54.9300 0.50 . . . . . . 19 LYS CA . 6754 1 209 . 1 1 19 19 LYS CB C 13 36.9800 0.50 . . . . . . 19 LYS CB . 6754 1 210 . 1 1 19 19 LYS CG C 13 22.4600 0.50 . . . . . . 19 LYS CG . 6754 1 211 . 1 1 19 19 LYS CD C 13 29.9200 0.50 . . . . . . 19 LYS CD . 6754 1 212 . 1 1 19 19 LYS CE C 13 42.4900 0.50 . . . . . . 19 LYS CE . 6754 1 213 . 1 1 19 19 LYS N N 15 120.0100 0.40 . . . . . . 19 LYS N . 6754 1 214 . 1 1 20 20 GLY H H 1 8.7000 0.04 . . . . . . 20 GLY H . 6754 1 215 . 1 1 20 20 GLY HA2 H 1 5.1600 0.04 . . . . . . 20 GLY HA1 . 6754 1 216 . 1 1 20 20 GLY HA3 H 1 3.7500 0.04 . . . . . . 20 GLY HA2 . 6754 1 217 . 1 1 20 20 GLY CA C 13 45.2700 0.50 . . . . . . 20 GLY CA . 6754 1 218 . 1 1 20 20 GLY N N 15 106.3800 0.40 . . . . . . 20 GLY N . 6754 1 219 . 1 1 21 21 GLY H H 1 7.0800 0.04 . . . . . . 21 GLY H . 6754 1 220 . 1 1 21 21 GLY HA2 H 1 4.8100 0.04 . . . . . . 21 GLY HA1 . 6754 1 221 . 1 1 21 21 GLY HA3 H 1 3.7300 0.04 . . . . . . 21 GLY HA2 . 6754 1 222 . 1 1 21 21 GLY CA C 13 44.6800 0.50 . . . . . . 21 GLY CA . 6754 1 223 . 1 1 21 21 GLY N N 15 109.7500 0.40 . . . . . . 21 GLY N . 6754 1 224 . 1 1 22 22 ARG H H 1 8.5600 0.04 . . . . . . 22 ARG H . 6754 1 225 . 1 1 22 22 ARG HA H 1 4.0300 0.04 . . . . . . 22 ARG HA . 6754 1 226 . 1 1 22 22 ARG HB2 H 1 1.7000 0.04 . . . . . . 22 ARG HB1 . 6754 1 227 . 1 1 22 22 ARG HB3 H 1 1.5500 0.04 . . . . . . 22 ARG HB2 . 6754 1 228 . 1 1 22 22 ARG HG2 H 1 1.5500 0.04 . . . . . . 22 ARG HG . 6754 1 229 . 1 1 22 22 ARG HG3 H 1 1.5500 0.04 . . . . . . 22 ARG HG . 6754 1 230 . 1 1 22 22 ARG HD2 H 1 3.2200 0.04 . . . . . . 22 ARG HD . 6754 1 231 . 1 1 22 22 ARG HD3 H 1 3.2200 0.04 . . . . . . 22 ARG HD . 6754 1 232 . 1 1 22 22 ARG CA C 13 60.1500 0.50 . . . . . . 22 ARG CA . 6754 1 233 . 1 1 22 22 ARG CB C 13 30.7000 0.50 . . . . . . 22 ARG CB . 6754 1 234 . 1 1 22 22 ARG CG C 13 27.0200 0.50 . . . . . . 22 ARG CG . 6754 1 235 . 1 1 22 22 ARG CD C 13 43.4500 0.50 . . . . . . 22 ARG CD . 6754 1 236 . 1 1 22 22 ARG N N 15 122.5000 0.40 . . . . . . 22 ARG N . 6754 1 237 . 1 1 23 23 GLU H H 1 7.1900 0.04 . . . . . . 23 GLU H . 6754 1 238 . 1 1 23 23 GLU HA H 1 4.3300 0.04 . . . . . . 23 GLU HA . 6754 1 239 . 1 1 23 23 GLU HB2 H 1 2.1100 0.04 . . . . . . 23 GLU HB . 6754 1 240 . 1 1 23 23 GLU HB3 H 1 2.1100 0.04 . . . . . . 23 GLU HB . 6754 1 241 . 1 1 23 23 GLU HG2 H 1 2.4500 0.04 . . . . . . 23 GLU HG . 6754 1 242 . 1 1 23 23 GLU HG3 H 1 2.4500 0.04 . . . . . . 23 GLU HG . 6754 1 243 . 1 1 23 23 GLU CA C 13 59.2100 0.50 . . . . . . 23 GLU CA . 6754 1 244 . 1 1 23 23 GLU CB C 13 28.0800 0.50 . . . . . . 23 GLU CB . 6754 1 245 . 1 1 23 23 GLU CG C 13 36.2700 0.50 . . . . . . 23 GLU CG . 6754 1 246 . 1 1 24 24 ASN H H 1 8.0500 0.04 . . . . . . 24 ASN H . 6754 1 247 . 1 1 24 24 ASN HA H 1 4.9900 0.04 . . . . . . 24 ASN HA . 6754 1 248 . 1 1 24 24 ASN HB2 H 1 3.0500 0.04 . . . . . . 24 ASN HB1 . 6754 1 249 . 1 1 24 24 ASN HB3 H 1 2.3100 0.04 . . . . . . 24 ASN HB2 . 6754 1 250 . 1 1 24 24 ASN HD21 H 1 7.1900 0.04 . . . . . . 24 ASN HD2 . 6754 1 251 . 1 1 24 24 ASN HD22 H 1 7.1900 0.04 . . . . . . 24 ASN HD2 . 6754 1 252 . 1 1 24 24 ASN CA C 13 53.3900 0.50 . . . . . . 24 ASN CA . 6754 1 253 . 1 1 24 24 ASN CB C 13 40.9500 0.50 . . . . . . 24 ASN CB . 6754 1 254 . 1 1 24 24 ASN N N 15 118.7300 0.40 . . . . . . 24 ASN N . 6754 1 255 . 1 1 25 25 LYS H H 1 8.1600 0.04 . . . . . . 25 LYS H . 6754 1 256 . 1 1 25 25 LYS HA H 1 3.9100 0.04 . . . . . . 25 LYS HA . 6754 1 257 . 1 1 25 25 LYS HB2 H 1 1.9800 0.04 . . . . . . 25 LYS HB1 . 6754 1 258 . 1 1 25 25 LYS HB3 H 1 1.7100 0.04 . . . . . . 25 LYS HB2 . 6754 1 259 . 1 1 25 25 LYS HG2 H 1 1.3700 0.04 . . . . . . 25 LYS HG . 6754 1 260 . 1 1 25 25 LYS HG3 H 1 1.3700 0.04 . . . . . . 25 LYS HG . 6754 1 261 . 1 1 25 25 LYS HD2 H 1 1.7100 0.04 . . . . . . 25 LYS HD . 6754 1 262 . 1 1 25 25 LYS HD3 H 1 1.7100 0.04 . . . . . . 25 LYS HD . 6754 1 263 . 1 1 25 25 LYS HE2 H 1 3.0500 0.04 . . . . . . 25 LYS HE . 6754 1 264 . 1 1 25 25 LYS HE3 H 1 3.0500 0.04 . . . . . . 25 LYS HE . 6754 1 265 . 1 1 25 25 LYS CA C 13 57.5400 0.50 . . . . . . 25 LYS CA . 6754 1 266 . 1 1 25 25 LYS CB C 13 30.0400 0.50 . . . . . . 25 LYS CB . 6754 1 267 . 1 1 25 25 LYS CG C 13 26.0900 0.50 . . . . . . 25 LYS CG . 6754 1 268 . 1 1 25 25 LYS CD C 13 29.6200 0.50 . . . . . . 25 LYS CD . 6754 1 269 . 1 1 25 25 LYS CE C 13 42.6500 0.50 . . . . . . 25 LYS CE . 6754 1 270 . 1 1 25 25 LYS N N 15 115.5500 0.40 . . . . . . 25 LYS N . 6754 1 271 . 1 1 26 26 MET H H 1 7.4200 0.04 . . . . . . 26 MET H . 6754 1 272 . 1 1 26 26 MET HA H 1 4.9900 0.04 . . . . . . 26 MET HA . 6754 1 273 . 1 1 26 26 MET HB2 H 1 2.3300 0.04 . . . . . . 26 MET HB1 . 6754 1 274 . 1 1 26 26 MET HB3 H 1 1.6900 0.04 . . . . . . 26 MET HB2 . 6754 1 275 . 1 1 26 26 MET HG2 H 1 2.7200 0.04 . . . . . . 26 MET HG1 . 6754 1 276 . 1 1 26 26 MET HG3 H 1 2.5800 0.04 . . . . . . 26 MET HG2 . 6754 1 277 . 1 1 26 26 MET HE1 H 1 2.1000 0.04 . . . . . . 26 MET HE . 6754 1 278 . 1 1 26 26 MET HE2 H 1 2.1000 0.04 . . . . . . 26 MET HE . 6754 1 279 . 1 1 26 26 MET HE3 H 1 2.1000 0.04 . . . . . . 26 MET HE . 6754 1 280 . 1 1 26 26 MET CA C 13 54.0000 0.50 . . . . . . 26 MET CA . 6754 1 281 . 1 1 26 26 MET CB C 13 37.9700 0.50 . . . . . . 26 MET CB . 6754 1 282 . 1 1 26 26 MET CG C 13 32.1770 0.50 . . . . . . 26 MET CG . 6754 1 283 . 1 1 26 26 MET N N 15 116.7300 0.40 . . . . . . 26 MET N . 6754 1 284 . 1 1 27 27 PRO HA H 1 4.6700 0.04 . . . . . . 27 PRO HA . 6754 1 285 . 1 1 27 27 PRO HB2 H 1 2.4000 0.04 . . . . . . 27 PRO HB1 . 6754 1 286 . 1 1 27 27 PRO HB3 H 1 1.6900 0.04 . . . . . . 27 PRO HB2 . 6754 1 287 . 1 1 27 27 PRO HD2 H 1 3.8100 0.04 . . . . . . 27 PRO HD1 . 6754 1 288 . 1 1 27 27 PRO HD3 H 1 3.4500 0.04 . . . . . . 27 PRO HD2 . 6754 1 289 . 1 1 27 27 PRO CA C 13 62.5700 0.50 . . . . . . 27 PRO CA . 6754 1 290 . 1 1 27 27 PRO CB C 13 32.8000 0.50 . . . . . . 27 PRO CB . 6754 1 291 . 1 1 28 28 ILE H H 1 8.4600 0.04 . . . . . . 28 ILE H . 6754 1 292 . 1 1 28 28 ILE HA H 1 4.3700 0.04 . . . . . . 28 ILE HA . 6754 1 293 . 1 1 28 28 ILE HB H 1 2.4000 0.04 . . . . . . 28 ILE HB . 6754 1 294 . 1 1 28 28 ILE HG12 H 1 1.9500 0.04 . . . . . . 28 ILE HG11 . 6754 1 295 . 1 1 28 28 ILE HG13 H 1 1.2000 0.04 . . . . . . 28 ILE HG12 . 6754 1 296 . 1 1 28 28 ILE HG21 H 1 0.7200 0.04 . . . . . . 28 ILE HG2 . 6754 1 297 . 1 1 28 28 ILE HG22 H 1 0.7200 0.04 . . . . . . 28 ILE HG2 . 6754 1 298 . 1 1 28 28 ILE HG23 H 1 0.7200 0.04 . . . . . . 28 ILE HG2 . 6754 1 299 . 1 1 28 28 ILE HD11 H 1 0.5100 0.04 . . . . . . 28 ILE HD1 . 6754 1 300 . 1 1 28 28 ILE HD12 H 1 0.5100 0.04 . . . . . . 28 ILE HD1 . 6754 1 301 . 1 1 28 28 ILE HD13 H 1 0.5100 0.04 . . . . . . 28 ILE HD1 . 6754 1 302 . 1 1 28 28 ILE CA C 13 58.7700 0.50 . . . . . . 28 ILE CA . 6754 1 303 . 1 1 28 28 ILE CB C 13 34.6100 0.50 . . . . . . 28 ILE CB . 6754 1 304 . 1 1 28 28 ILE CG1 C 13 26.4000 0.50 . . . . . . 28 ILE CG1 . 6754 1 305 . 1 1 28 28 ILE CG2 C 13 18.9400 0.50 . . . . . . 28 ILE CG2 . 6754 1 306 . 1 1 28 28 ILE CD1 C 13 9.4300 0.50 . . . . . . 28 ILE CD1 . 6754 1 307 . 1 1 28 28 ILE N N 15 118.9600 0.40 . . . . . . 28 ILE N . 6754 1 308 . 1 1 29 29 LEU H H 1 8.6700 0.04 . . . . . . 29 LEU H . 6754 1 309 . 1 1 29 29 LEU HA H 1 5.2800 0.04 . . . . . . 29 LEU HA . 6754 1 310 . 1 1 29 29 LEU HB2 H 1 1.4100 0.04 . . . . . . 29 LEU HB1 . 6754 1 311 . 1 1 29 29 LEU HB3 H 1 1.0700 0.04 . . . . . . 29 LEU HB2 . 6754 1 312 . 1 1 29 29 LEU HG H 1 1.5000 0.04 . . . . . . 29 LEU HG . 6754 1 313 . 1 1 29 29 LEU HD11 H 1 0.7800 0.04 . . . . . . 29 LEU HD1 . 6754 1 314 . 1 1 29 29 LEU HD12 H 1 0.7800 0.04 . . . . . . 29 LEU HD1 . 6754 1 315 . 1 1 29 29 LEU HD13 H 1 0.7800 0.04 . . . . . . 29 LEU HD1 . 6754 1 316 . 1 1 29 29 LEU HD21 H 1 0.7200 0.04 . . . . . . 29 LEU HD2 . 6754 1 317 . 1 1 29 29 LEU HD22 H 1 0.7200 0.04 . . . . . . 29 LEU HD2 . 6754 1 318 . 1 1 29 29 LEU HD23 H 1 0.7200 0.04 . . . . . . 29 LEU HD2 . 6754 1 319 . 1 1 29 29 LEU CA C 13 53.2600 0.50 . . . . . . 29 LEU CA . 6754 1 320 . 1 1 29 29 LEU CB C 13 46.4800 0.50 . . . . . . 29 LEU CB . 6754 1 321 . 1 1 29 29 LEU CG C 13 26.9700 0.50 . . . . . . 29 LEU CG . 6754 1 322 . 1 1 29 29 LEU CD1 C 13 26.7900 0.50 . . . . . . 29 LEU CD1 . 6754 1 323 . 1 1 29 29 LEU CD2 C 13 24.3700 0.50 . . . . . . 29 LEU CD2 . 6754 1 324 . 1 1 29 29 LEU N N 15 127.8300 0.40 . . . . . . 29 LEU N . 6754 1 325 . 1 1 30 30 ILE H H 1 9.1400 0.04 . . . . . . 30 ILE H . 6754 1 326 . 1 1 30 30 ILE HA H 1 4.1700 0.04 . . . . . . 30 ILE HA . 6754 1 327 . 1 1 30 30 ILE HB H 1 2.2600 0.04 . . . . . . 30 ILE HB . 6754 1 328 . 1 1 30 30 ILE HG12 H 1 1.9600 0.04 . . . . . . 30 ILE HG1 . 6754 1 329 . 1 1 30 30 ILE HG13 H 1 1.9600 0.04 . . . . . . 30 ILE HG1 . 6754 1 330 . 1 1 30 30 ILE HG21 H 1 0.8300 0.04 . . . . . . 30 ILE HG2 . 6754 1 331 . 1 1 30 30 ILE HG22 H 1 0.8300 0.04 . . . . . . 30 ILE HG2 . 6754 1 332 . 1 1 30 30 ILE HG23 H 1 0.8300 0.04 . . . . . . 30 ILE HG2 . 6754 1 333 . 1 1 30 30 ILE HD11 H 1 0.9200 0.04 . . . . . . 30 ILE HD1 . 6754 1 334 . 1 1 30 30 ILE HD12 H 1 0.9200 0.04 . . . . . . 30 ILE HD1 . 6754 1 335 . 1 1 30 30 ILE HD13 H 1 0.9200 0.04 . . . . . . 30 ILE HD1 . 6754 1 336 . 1 1 30 30 ILE CA C 13 64.4100 0.50 . . . . . . 30 ILE CA . 6754 1 337 . 1 1 30 30 ILE CB C 13 37.6100 0.50 . . . . . . 30 ILE CB . 6754 1 338 . 1 1 30 30 ILE CG1 C 13 29.0200 0.50 . . . . . . 30 ILE CG1 . 6754 1 339 . 1 1 30 30 ILE CG2 C 13 18.4200 0.50 . . . . . . 30 ILE CG2 . 6754 1 340 . 1 1 30 30 ILE CD1 C 13 13.7500 0.50 . . . . . . 30 ILE CD1 . 6754 1 341 . 1 1 30 30 ILE N N 15 119.8100 0.40 . . . . . . 30 ILE N . 6754 1 342 . 1 1 31 31 SER H H 1 9.4100 0.04 . . . . . . 31 SER H . 6754 1 343 . 1 1 31 31 SER HA H 1 4.5700 0.04 . . . . . . 31 SER HA . 6754 1 344 . 1 1 31 31 SER HB2 H 1 3.9100 0.04 . . . . . . 31 SER HB1 . 6754 1 345 . 1 1 31 31 SER HB3 H 1 3.3600 0.04 . . . . . . 31 SER HB2 . 6754 1 346 . 1 1 31 31 SER CA C 13 58.5600 0.50 . . . . . . 31 SER CA . 6754 1 347 . 1 1 31 31 SER CB C 13 65.1800 0.50 . . . . . . 31 SER CB . 6754 1 348 . 1 1 31 31 SER N N 15 125.7800 0.40 . . . . . . 31 SER N . 6754 1 349 . 1 1 32 32 LYS H H 1 7.4000 0.04 . . . . . . 32 LYS H . 6754 1 350 . 1 1 32 32 LYS HA H 1 4.1900 0.04 . . . . . . 32 LYS HA . 6754 1 351 . 1 1 32 32 LYS HB2 H 1 1.6500 0.04 . . . . . . 32 LYS HB1 . 6754 1 352 . 1 1 32 32 LYS HB3 H 1 1.3700 0.04 . . . . . . 32 LYS HB2 . 6754 1 353 . 1 1 32 32 LYS HG2 H 1 1.1500 0.04 . . . . . . 32 LYS HG1 . 6754 1 354 . 1 1 32 32 LYS HG3 H 1 0.6900 0.04 . . . . . . 32 LYS HG2 . 6754 1 355 . 1 1 32 32 LYS HD2 H 1 1.4200 0.04 . . . . . . 32 LYS HD1 . 6754 1 356 . 1 1 32 32 LYS HD3 H 1 1.3000 0.04 . . . . . . 32 LYS HD2 . 6754 1 357 . 1 1 32 32 LYS HE2 H 1 2.5500 0.04 . . . . . . 32 LYS HE1 . 6754 1 358 . 1 1 32 32 LYS HE3 H 1 2.4400 0.04 . . . . . . 32 LYS HE2 . 6754 1 359 . 1 1 32 32 LYS CA C 13 57.3500 0.50 . . . . . . 32 LYS CA . 6754 1 360 . 1 1 32 32 LYS CB C 13 36.8500 0.50 . . . . . . 32 LYS CB . 6754 1 361 . 1 1 32 32 LYS CG C 13 25.5100 0.50 . . . . . . 32 LYS CG . 6754 1 362 . 1 1 32 32 LYS CD C 13 29.6000 0.50 . . . . . . 32 LYS CD . 6754 1 363 . 1 1 32 32 LYS CE C 13 42.2500 0.50 . . . . . . 32 LYS CE . 6754 1 364 . 1 1 32 32 LYS N N 15 121.5200 0.40 . . . . . . 32 LYS N . 6754 1 365 . 1 1 33 33 ILE H H 1 8.4600 0.04 . . . . . . 33 ILE H . 6754 1 366 . 1 1 33 33 ILE HA H 1 4.3900 0.04 . . . . . . 33 ILE HA . 6754 1 367 . 1 1 33 33 ILE HB H 1 1.6600 0.04 . . . . . . 33 ILE HB . 6754 1 368 . 1 1 33 33 ILE HG12 H 1 1.3800 0.04 . . . . . . 33 ILE HG1 . 6754 1 369 . 1 1 33 33 ILE HG13 H 1 1.3800 0.04 . . . . . . 33 ILE HG1 . 6754 1 370 . 1 1 33 33 ILE HG21 H 1 0.7800 0.04 . . . . . . 33 ILE HG2 . 6754 1 371 . 1 1 33 33 ILE HG22 H 1 0.7800 0.04 . . . . . . 33 ILE HG2 . 6754 1 372 . 1 1 33 33 ILE HG23 H 1 0.7800 0.04 . . . . . . 33 ILE HG2 . 6754 1 373 . 1 1 33 33 ILE HD11 H 1 0.6000 0.04 . . . . . . 33 ILE HD1 . 6754 1 374 . 1 1 33 33 ILE HD12 H 1 0.6000 0.04 . . . . . . 33 ILE HD1 . 6754 1 375 . 1 1 33 33 ILE HD13 H 1 0.6000 0.04 . . . . . . 33 ILE HD1 . 6754 1 376 . 1 1 33 33 ILE CA C 13 60.3700 0.50 . . . . . . 33 ILE CA . 6754 1 377 . 1 1 33 33 ILE CB C 13 39.6500 0.50 . . . . . . 33 ILE CB . 6754 1 378 . 1 1 33 33 ILE CG1 C 13 28.3200 0.50 . . . . . . 33 ILE CG1 . 6754 1 379 . 1 1 33 33 ILE CG2 C 13 17.9400 0.50 . . . . . . 33 ILE CG2 . 6754 1 380 . 1 1 33 33 ILE CD1 C 13 13.7500 0.50 . . . . . . 33 ILE CD1 . 6754 1 381 . 1 1 33 33 ILE N N 15 124.7800 0.40 . . . . . . 33 ILE N . 6754 1 382 . 1 1 34 34 PHE H H 1 8.2900 0.04 . . . . . . 34 PHE H . 6754 1 383 . 1 1 34 34 PHE HA H 1 4.3900 0.04 . . . . . . 34 PHE HA . 6754 1 384 . 1 1 34 34 PHE HB2 H 1 3.1300 0.04 . . . . . . 34 PHE HB1 . 6754 1 385 . 1 1 34 34 PHE HB3 H 1 2.7900 0.04 . . . . . . 34 PHE HB2 . 6754 1 386 . 1 1 34 34 PHE HD1 H 1 7.0800 0.04 . . . . . . 34 PHE HD1 . 6754 1 387 . 1 1 34 34 PHE HE1 H 1 7.3200 0.04 . . . . . . 34 PHE HE1 . 6754 1 388 . 1 1 34 34 PHE HZ H 1 7.2600 0.04 . . . . . . 34 PHE HZ . 6754 1 389 . 1 1 34 34 PHE CA C 13 58.5300 0.50 . . . . . . 34 PHE CA . 6754 1 390 . 1 1 34 34 PHE CB C 13 39.2700 0.50 . . . . . . 34 PHE CB . 6754 1 391 . 1 1 34 34 PHE N N 15 126.4400 0.40 . . . . . . 34 PHE N . 6754 1 392 . 1 1 35 35 LYS H H 1 8.9800 0.04 . . . . . . 35 LYS H . 6754 1 393 . 1 1 35 35 LYS HA H 1 4.2900 0.04 . . . . . . 35 LYS HA . 6754 1 394 . 1 1 35 35 LYS HB2 H 1 1.8900 0.04 . . . . . . 35 LYS HB1 . 6754 1 395 . 1 1 35 35 LYS HB3 H 1 1.8100 0.04 . . . . . . 35 LYS HB2 . 6754 1 396 . 1 1 35 35 LYS HG2 H 1 1.6800 0.04 . . . . . . 35 LYS HG1 . 6754 1 397 . 1 1 35 35 LYS HG3 H 1 1.6300 0.04 . . . . . . 35 LYS HG2 . 6754 1 398 . 1 1 35 35 LYS HD2 H 1 1.9800 0.04 . . . . . . 35 LYS HD . 6754 1 399 . 1 1 35 35 LYS HD3 H 1 1.9800 0.04 . . . . . . 35 LYS HD . 6754 1 400 . 1 1 35 35 LYS HE2 H 1 3.0800 0.04 . . . . . . 35 LYS HE . 6754 1 401 . 1 1 35 35 LYS HE3 H 1 3.0800 0.04 . . . . . . 35 LYS HE . 6754 1 402 . 1 1 35 35 LYS CA C 13 57.3501 0.50 . . . . . . 35 LYS CA . 6754 1 403 . 1 1 35 35 LYS CB C 13 31.0000 0.50 . . . . . . 35 LYS CB . 6754 1 404 . 1 1 35 35 LYS CG C 13 27.9200 0.50 . . . . . . 35 LYS CG . 6754 1 405 . 1 1 35 35 LYS CD C 13 30.8300 0.50 . . . . . . 35 LYS CD . 6754 1 406 . 1 1 35 35 LYS CE C 13 43.6400 0.50 . . . . . . 35 LYS CE . 6754 1 407 . 1 1 35 35 LYS N N 15 127.9200 0.40 . . . . . . 35 LYS N . 6754 1 408 . 1 1 36 36 GLY H H 1 8.2850 0.04 . . . . . . 36 GLY H . 6754 1 409 . 1 1 36 36 GLY HA2 H 1 3.9900 0.04 . . . . . . 36 GLY HA1 . 6754 1 410 . 1 1 36 36 GLY HA3 H 1 3.8600 0.04 . . . . . . 36 GLY HA2 . 6754 1 411 . 1 1 36 36 GLY CA C 13 45.8000 0.50 . . . . . . 36 GLY CA . 6754 1 412 . 1 1 36 36 GLY N N 15 109.8000 0.40 . . . . . . 36 GLY N . 6754 1 413 . 1 1 37 37 LEU H H 1 7.1300 0.04 . . . . . . 37 LEU H . 6754 1 414 . 1 1 37 37 LEU HA H 1 4.2200 0.04 . . . . . . 37 LEU HA . 6754 1 415 . 1 1 37 37 LEU HB2 H 1 1.9400 0.04 . . . . . . 37 LEU HB1 . 6754 1 416 . 1 1 37 37 LEU HB3 H 1 1.8000 0.04 . . . . . . 37 LEU HB2 . 6754 1 417 . 1 1 37 37 LEU HG H 1 1.6200 0.04 . . . . . . 37 LEU HG . 6754 1 418 . 1 1 37 37 LEU HD11 H 1 0.9100 0.04 . . . . . . 37 LEU HD1 . 6754 1 419 . 1 1 37 37 LEU HD12 H 1 0.9100 0.04 . . . . . . 37 LEU HD1 . 6754 1 420 . 1 1 37 37 LEU HD13 H 1 0.9100 0.04 . . . . . . 37 LEU HD1 . 6754 1 421 . 1 1 37 37 LEU HD21 H 1 0.8300 0.04 . . . . . . 37 LEU HD2 . 6754 1 422 . 1 1 37 37 LEU HD22 H 1 0.8300 0.04 . . . . . . 37 LEU HD2 . 6754 1 423 . 1 1 37 37 LEU HD23 H 1 0.8300 0.04 . . . . . . 37 LEU HD2 . 6754 1 424 . 1 1 37 37 LEU CA C 13 55.4900 0.50 . . . . . . 37 LEU CA . 6754 1 425 . 1 1 37 37 LEU CB C 13 41.6900 0.50 . . . . . . 37 LEU CB . 6754 1 426 . 1 1 37 37 LEU CG C 13 27.7200 0.50 . . . . . . 37 LEU CG . 6754 1 427 . 1 1 37 37 LEU CD1 C 13 25.3300 0.50 . . . . . . 37 LEU CD1 . 6754 1 428 . 1 1 37 37 LEU CD2 C 13 23.9900 0.50 . . . . . . 37 LEU CD2 . 6754 1 429 . 1 1 37 37 LEU N N 15 120.3100 0.40 . . . . . . 37 LEU N . 6754 1 430 . 1 1 38 38 ALA H H 1 7.7300 0.04 . . . . . . 38 ALA H . 6754 1 431 . 1 1 38 38 ALA HA H 1 3.9600 0.04 . . . . . . 38 ALA HA . 6754 1 432 . 1 1 38 38 ALA HB1 H 1 1.4000 0.04 . . . . . . 38 ALA HB . 6754 1 433 . 1 1 38 38 ALA HB2 H 1 1.4000 0.04 . . . . . . 38 ALA HB . 6754 1 434 . 1 1 38 38 ALA HB3 H 1 1.4000 0.04 . . . . . . 38 ALA HB . 6754 1 435 . 1 1 38 38 ALA CA C 13 57.1700 0.50 . . . . . . 38 ALA CA . 6754 1 436 . 1 1 38 38 ALA CB C 13 20.0800 0.50 . . . . . . 38 ALA CB . 6754 1 437 . 1 1 38 38 ALA N N 15 118.2100 0.40 . . . . . . 38 ALA N . 6754 1 438 . 1 1 39 39 ALA H H 1 8.1700 0.04 . . . . . . 39 ALA H . 6754 1 439 . 1 1 39 39 ALA HA H 1 3.9900 0.04 . . . . . . 39 ALA HA . 6754 1 440 . 1 1 39 39 ALA HB1 H 1 1.3400 0.04 . . . . . . 39 ALA HB . 6754 1 441 . 1 1 39 39 ALA HB2 H 1 1.3400 0.04 . . . . . . 39 ALA HB . 6754 1 442 . 1 1 39 39 ALA HB3 H 1 1.3400 0.04 . . . . . . 39 ALA HB . 6754 1 443 . 1 1 39 39 ALA CA C 13 55.6600 0.50 . . . . . . 39 ALA CA . 6754 1 444 . 1 1 39 39 ALA CB C 13 19.6800 0.50 . . . . . . 39 ALA CB . 6754 1 445 . 1 1 39 39 ALA N N 15 118.4300 0.40 . . . . . . 39 ALA N . 6754 1 446 . 1 1 40 40 ASP H H 1 9.0800 0.04 . . . . . . 40 ASP H . 6754 1 447 . 1 1 40 40 ASP HA H 1 4.2600 0.04 . . . . . . 40 ASP HA . 6754 1 448 . 1 1 40 40 ASP HB2 H 1 2.8300 0.04 . . . . . . 40 ASP HB . 6754 1 449 . 1 1 40 40 ASP HB3 H 1 2.8300 0.04 . . . . . . 40 ASP HB . 6754 1 450 . 1 1 40 40 ASP CA C 13 57.6100 0.50 . . . . . . 40 ASP CA . 6754 1 451 . 1 1 40 40 ASP CB C 13 43.3100 0.50 . . . . . . 40 ASP CB . 6754 1 452 . 1 1 40 40 ASP N N 15 124.1400 0.40 . . . . . . 40 ASP N . 6754 1 453 . 1 1 41 41 GLN H H 1 7.9300 0.04 . . . . . . 41 GLN H . 6754 1 454 . 1 1 41 41 GLN HA H 1 4.1000 0.04 . . . . . . 41 GLN HA . 6754 1 455 . 1 1 41 41 GLN HB2 H 1 2.2100 0.04 . . . . . . 41 GLN HB1 . 6754 1 456 . 1 1 41 41 GLN HB3 H 1 2.0700 0.04 . . . . . . 41 GLN HB2 . 6754 1 457 . 1 1 41 41 GLN HG2 H 1 2.4500 0.04 . . . . . . 41 GLN HG1 . 6754 1 458 . 1 1 41 41 GLN HG3 H 1 2.3800 0.04 . . . . . . 41 GLN HG2 . 6754 1 459 . 1 1 41 41 GLN CA C 13 58.4700 0.50 . . . . . . 41 GLN CA . 6754 1 460 . 1 1 41 41 GLN CB C 13 29.2100 0.50 . . . . . . 41 GLN CB . 6754 1 461 . 1 1 41 41 GLN CG C 13 34.5900 0.50 . . . . . . 41 GLN CG . 6754 1 462 . 1 1 41 41 GLN N N 15 114.3400 0.40 . . . . . . 41 GLN N . 6754 1 463 . 1 1 42 42 THR H H 1 7.4100 0.04 . . . . . . 42 THR H . 6754 1 464 . 1 1 42 42 THR HA H 1 4.1400 0.04 . . . . . . 42 THR HA . 6754 1 465 . 1 1 42 42 THR HB H 1 4.2100 0.04 . . . . . . 42 THR HB . 6754 1 466 . 1 1 42 42 THR HG21 H 1 1.4900 0.04 . . . . . . 42 THR HG2 . 6754 1 467 . 1 1 42 42 THR HG22 H 1 1.4900 0.04 . . . . . . 42 THR HG2 . 6754 1 468 . 1 1 42 42 THR HG23 H 1 1.4900 0.04 . . . . . . 42 THR HG2 . 6754 1 469 . 1 1 42 42 THR CA C 13 64.8100 0.50 . . . . . . 42 THR CA . 6754 1 470 . 1 1 42 42 THR CB C 13 70.6500 0.50 . . . . . . 42 THR CB . 6754 1 471 . 1 1 42 42 THR CG2 C 13 23.2400 0.50 . . . . . . 42 THR CG2 . 6754 1 472 . 1 1 42 42 THR N N 15 107.1000 0.40 . . . . . . 42 THR N . 6754 1 473 . 1 1 43 43 GLU H H 1 7.6700 0.04 . . . . . . 43 GLU H . 6754 1 474 . 1 1 43 43 GLU HA H 1 4.0000 0.04 . . . . . . 43 GLU HA . 6754 1 475 . 1 1 43 43 GLU HB2 H 1 2.2100 0.04 . . . . . . 43 GLU HB . 6754 1 476 . 1 1 43 43 GLU HB3 H 1 2.2100 0.04 . . . . . . 43 GLU HB . 6754 1 477 . 1 1 43 43 GLU HG2 H 1 2.2100 0.04 . . . . . . 43 GLU HG . 6754 1 478 . 1 1 43 43 GLU HG3 H 1 2.2100 0.04 . . . . . . 43 GLU HG . 6754 1 479 . 1 1 43 43 GLU CA C 13 58.1000 0.50 . . . . . . 43 GLU CA . 6754 1 480 . 1 1 43 43 GLU CB C 13 28.6000 0.50 . . . . . . 43 GLU CB . 6754 1 481 . 1 1 43 43 GLU CG C 13 37.4400 0.50 . . . . . . 43 GLU CG . 6754 1 482 . 1 1 43 43 GLU N N 15 115.5300 0.40 . . . . . . 43 GLU N . 6754 1 483 . 1 1 44 44 ALA H H 1 7.8200 0.04 . . . . . . 44 ALA H . 6754 1 484 . 1 1 44 44 ALA HA H 1 4.5100 0.04 . . . . . . 44 ALA HA . 6754 1 485 . 1 1 44 44 ALA HB1 H 1 1.2600 0.04 . . . . . . 44 ALA HB . 6754 1 486 . 1 1 44 44 ALA HB2 H 1 1.2600 0.04 . . . . . . 44 ALA HB . 6754 1 487 . 1 1 44 44 ALA HB3 H 1 1.2600 0.04 . . . . . . 44 ALA HB . 6754 1 488 . 1 1 44 44 ALA CA C 13 52.2900 0.50 . . . . . . 44 ALA CA . 6754 1 489 . 1 1 44 44 ALA CB C 13 22.6600 0.50 . . . . . . 44 ALA CB . 6754 1 490 . 1 1 44 44 ALA N N 15 118.8800 0.40 . . . . . . 44 ALA N . 6754 1 491 . 1 1 45 45 LEU H H 1 7.4200 0.04 . . . . . . 45 LEU H . 6754 1 492 . 1 1 45 45 LEU HA H 1 4.3400 0.04 . . . . . . 45 LEU HA . 6754 1 493 . 1 1 45 45 LEU HB2 H 1 1.2900 0.04 . . . . . . 45 LEU HB1 . 6754 1 494 . 1 1 45 45 LEU HB3 H 1 1.0600 0.04 . . . . . . 45 LEU HB2 . 6754 1 495 . 1 1 45 45 LEU HG H 1 1.4200 0.04 . . . . . . 45 LEU HG . 6754 1 496 . 1 1 45 45 LEU HD11 H 1 0.8100 0.04 . . . . . . 45 LEU HD1 . 6754 1 497 . 1 1 45 45 LEU HD12 H 1 0.8100 0.04 . . . . . . 45 LEU HD1 . 6754 1 498 . 1 1 45 45 LEU HD13 H 1 0.8100 0.04 . . . . . . 45 LEU HD1 . 6754 1 499 . 1 1 45 45 LEU HD21 H 1 0.6900 0.04 . . . . . . 45 LEU HD2 . 6754 1 500 . 1 1 45 45 LEU HD22 H 1 0.6900 0.04 . . . . . . 45 LEU HD2 . 6754 1 501 . 1 1 45 45 LEU HD23 H 1 0.6900 0.04 . . . . . . 45 LEU HD2 . 6754 1 502 . 1 1 45 45 LEU CA C 13 53.4300 0.50 . . . . . . 45 LEU CA . 6754 1 503 . 1 1 45 45 LEU CB C 13 46.9200 0.50 . . . . . . 45 LEU CB . 6754 1 504 . 1 1 45 45 LEU CD1 C 13 25.4800 0.50 . . . . . . 45 LEU CD1 . 6754 1 505 . 1 1 45 45 LEU CD2 C 13 26.7900 0.50 . . . . . . 45 LEU CD2 . 6754 1 506 . 1 1 45 45 LEU N N 15 119.2400 0.40 . . . . . . 45 LEU N . 6754 1 507 . 1 1 46 46 PHE H H 1 9.2700 0.04 . . . . . . 46 PHE H . 6754 1 508 . 1 1 46 46 PHE HA H 1 4.6300 0.04 . . . . . . 46 PHE HA . 6754 1 509 . 1 1 46 46 PHE HB2 H 1 3.1000 0.04 . . . . . . 46 PHE HB1 . 6754 1 510 . 1 1 46 46 PHE HB3 H 1 2.5200 0.04 . . . . . . 46 PHE HB2 . 6754 1 511 . 1 1 46 46 PHE HD1 H 1 7.2000 0.04 . . . . . . 46 PHE HD1 . 6754 1 512 . 1 1 46 46 PHE HE1 H 1 7.0000 0.04 . . . . . . 46 PHE HE1 . 6754 1 513 . 1 1 46 46 PHE HZ H 1 6.7900 0.04 . . . . . . 46 PHE HZ . 6754 1 514 . 1 1 46 46 PHE CA C 13 56.9800 0.50 . . . . . . 46 PHE CA . 6754 1 515 . 1 1 46 46 PHE CB C 13 42.8100 0.50 . . . . . . 46 PHE CB . 6754 1 516 . 1 1 46 46 PHE N N 15 119.5200 0.40 . . . . . . 46 PHE N . 6754 1 517 . 1 1 47 47 VAL H H 1 8.6700 0.04 . . . . . . 47 VAL H . 6754 1 518 . 1 1 47 47 VAL HA H 1 3.4900 0.04 . . . . . . 47 VAL HA . 6754 1 519 . 1 1 47 47 VAL HB H 1 1.9500 0.04 . . . . . . 47 VAL HB . 6754 1 520 . 1 1 47 47 VAL HG11 H 1 0.9300 0.04 . . . . . . 47 VAL HG1 . 6754 1 521 . 1 1 47 47 VAL HG12 H 1 0.9300 0.04 . . . . . . 47 VAL HG1 . 6754 1 522 . 1 1 47 47 VAL HG13 H 1 0.9300 0.04 . . . . . . 47 VAL HG1 . 6754 1 523 . 1 1 47 47 VAL CA C 13 65.7400 0.50 . . . . . . 47 VAL CA . 6754 1 524 . 1 1 47 47 VAL CB C 13 31.4900 0.50 . . . . . . 47 VAL CB . 6754 1 525 . 1 1 47 47 VAL CG1 C 13 23.4000 0.50 . . . . . . 47 VAL CG1 . 6754 1 526 . 1 1 47 47 VAL CG2 C 13 21.9000 0.50 . . . . . . 47 VAL CG2 . 6754 1 527 . 1 1 47 47 VAL N N 15 121.9100 0.40 . . . . . . 47 VAL N . 6754 1 528 . 1 1 48 48 GLY H H 1 8.7400 0.04 . . . . . . 48 GLY H . 6754 1 529 . 1 1 48 48 GLY HA2 H 1 4.4700 0.04 . . . . . . 48 GLY HA1 . 6754 1 530 . 1 1 48 48 GLY HA3 H 1 3.4800 0.04 . . . . . . 48 GLY HA2 . 6754 1 531 . 1 1 48 48 GLY CA C 13 45.2600 0.50 . . . . . . 48 GLY CA . 6754 1 532 . 1 1 48 48 GLY N N 15 116.0200 0.40 . . . . . . 48 GLY N . 6754 1 533 . 1 1 49 49 ASP H H 1 8.2000 0.04 . . . . . . 49 ASP H . 6754 1 534 . 1 1 49 49 ASP HA H 1 5.0700 0.04 . . . . . . 49 ASP HA . 6754 1 535 . 1 1 49 49 ASP HB2 H 1 3.1200 0.04 . . . . . . 49 ASP HB1 . 6754 1 536 . 1 1 49 49 ASP HB3 H 1 2.1600 0.04 . . . . . . 49 ASP HB2 . 6754 1 537 . 1 1 49 49 ASP CA C 13 56.1500 0.50 . . . . . . 49 ASP CA . 6754 1 538 . 1 1 49 49 ASP CB C 13 42.6300 0.50 . . . . . . 49 ASP CB . 6754 1 539 . 1 1 49 49 ASP N N 15 120.5700 0.40 . . . . . . 49 ASP N . 6754 1 540 . 1 1 50 50 ALA H H 1 9.1300 0.04 . . . . . . 50 ALA H . 6754 1 541 . 1 1 50 50 ALA HA H 1 5.4700 0.04 . . . . . . 50 ALA HA . 6754 1 542 . 1 1 50 50 ALA HB1 H 1 1.3200 0.04 . . . . . . 50 ALA HB . 6754 1 543 . 1 1 50 50 ALA HB2 H 1 1.3200 0.04 . . . . . . 50 ALA HB . 6754 1 544 . 1 1 50 50 ALA HB3 H 1 1.3200 0.04 . . . . . . 50 ALA HB . 6754 1 545 . 1 1 50 50 ALA CA C 13 50.2400 0.50 . . . . . . 50 ALA CA . 6754 1 546 . 1 1 50 50 ALA CB C 13 20.4500 0.50 . . . . . . 50 ALA CB . 6754 1 547 . 1 1 50 50 ALA N N 15 123.7600 0.40 . . . . . . 50 ALA N . 6754 1 548 . 1 1 51 51 ILE H H 1 8.8300 0.04 . . . . . . 51 ILE H . 6754 1 549 . 1 1 51 51 ILE HA H 1 4.2200 0.04 . . . . . . 51 ILE HA . 6754 1 550 . 1 1 51 51 ILE HB H 1 1.6300 0.04 . . . . . . 51 ILE HB . 6754 1 551 . 1 1 51 51 ILE HG12 H 1 1.3300 0.04 . . . . . . 51 ILE HG1 . 6754 1 552 . 1 1 51 51 ILE HG13 H 1 1.3300 0.04 . . . . . . 51 ILE HG1 . 6754 1 553 . 1 1 51 51 ILE HG21 H 1 0.7100 0.04 . . . . . . 51 ILE HG2 . 6754 1 554 . 1 1 51 51 ILE HG22 H 1 0.7100 0.04 . . . . . . 51 ILE HG2 . 6754 1 555 . 1 1 51 51 ILE HG23 H 1 0.7100 0.04 . . . . . . 51 ILE HG2 . 6754 1 556 . 1 1 51 51 ILE HD11 H 1 0.6700 0.04 . . . . . . 51 ILE HD1 . 6754 1 557 . 1 1 51 51 ILE HD12 H 1 0.6700 0.04 . . . . . . 51 ILE HD1 . 6754 1 558 . 1 1 51 51 ILE HD13 H 1 0.6700 0.04 . . . . . . 51 ILE HD1 . 6754 1 559 . 1 1 51 51 ILE CA C 13 62.3500 0.50 . . . . . . 51 ILE CA . 6754 1 560 . 1 1 51 51 ILE CB C 13 38.5000 0.50 . . . . . . 51 ILE CB . 6754 1 561 . 1 1 51 51 ILE CG1 C 13 25.9200 0.50 . . . . . . 51 ILE CG1 . 6754 1 562 . 1 1 51 51 ILE CG2 C 13 19.9500 0.50 . . . . . . 51 ILE CG2 . 6754 1 563 . 1 1 51 51 ILE CD1 C 13 13.9200 0.50 . . . . . . 51 ILE CD1 . 6754 1 564 . 1 1 51 51 ILE N N 15 120.0800 0.40 . . . . . . 51 ILE N . 6754 1 565 . 1 1 52 52 LEU H H 1 9.2000 0.04 . . . . . . 52 LEU H . 6754 1 566 . 1 1 52 52 LEU HA H 1 4.2500 0.04 . . . . . . 52 LEU HA . 6754 1 567 . 1 1 52 52 LEU HB2 H 1 1.4500 0.04 . . . . . . 52 LEU HB . 6754 1 568 . 1 1 52 52 LEU HB3 H 1 1.4500 0.04 . . . . . . 52 LEU HB . 6754 1 569 . 1 1 52 52 LEU HG H 1 1.6200 0.04 . . . . . . 52 LEU HG . 6754 1 570 . 1 1 52 52 LEU HD11 H 1 0.7700 0.04 . . . . . . 52 LEU HD1 . 6754 1 571 . 1 1 52 52 LEU HD12 H 1 0.7700 0.04 . . . . . . 52 LEU HD1 . 6754 1 572 . 1 1 52 52 LEU HD13 H 1 0.7700 0.04 . . . . . . 52 LEU HD1 . 6754 1 573 . 1 1 52 52 LEU CA C 13 55.5200 0.50 . . . . . . 52 LEU CA . 6754 1 574 . 1 1 52 52 LEU CB C 13 43.0000 0.50 . . . . . . 52 LEU CB . 6754 1 575 . 1 1 52 52 LEU CG C 13 27.4400 0.50 . . . . . . 52 LEU CG . 6754 1 576 . 1 1 52 52 LEU CD1 C 13 25.2400 0.50 . . . . . . 52 LEU CD1 . 6754 1 577 . 1 1 52 52 LEU CD2 C 13 23.8200 0.50 . . . . . . 52 LEU CD2 . 6754 1 578 . 1 1 52 52 LEU N N 15 127.0300 0.40 . . . . . . 52 LEU N . 6754 1 579 . 1 1 53 53 SER H H 1 7.8400 0.04 . . . . . . 53 SER H . 6754 1 580 . 1 1 53 53 SER HA H 1 5.2300 0.04 . . . . . . 53 SER HA . 6754 1 581 . 1 1 53 53 SER HB2 H 1 3.8700 0.04 . . . . . . 53 SER HB1 . 6754 1 582 . 1 1 53 53 SER HB3 H 1 3.3700 0.04 . . . . . . 53 SER HB2 . 6754 1 583 . 1 1 53 53 SER CA C 13 57.7800 0.50 . . . . . . 53 SER CA . 6754 1 584 . 1 1 53 53 SER CB C 13 65.9200 0.50 . . . . . . 53 SER CB . 6754 1 585 . 1 1 53 53 SER N N 15 110.9300 0.40 . . . . . . 53 SER N . 6754 1 586 . 1 1 54 54 VAL H H 1 8.1700 0.04 . . . . . . 54 VAL H . 6754 1 587 . 1 1 54 54 VAL HA H 1 4.6400 0.04 . . . . . . 54 VAL HA . 6754 1 588 . 1 1 54 54 VAL HB H 1 1.7700 0.04 . . . . . . 54 VAL HB . 6754 1 589 . 1 1 54 54 VAL HG11 H 1 0.7600 0.04 . . . . . . 54 VAL HG1 . 6754 1 590 . 1 1 54 54 VAL HG12 H 1 0.7600 0.04 . . . . . . 54 VAL HG1 . 6754 1 591 . 1 1 54 54 VAL HG13 H 1 0.7600 0.04 . . . . . . 54 VAL HG1 . 6754 1 592 . 1 1 54 54 VAL CA C 13 60.5500 0.50 . . . . . . 54 VAL CA . 6754 1 593 . 1 1 54 54 VAL CB C 13 34.7900 0.50 . . . . . . 54 VAL CB . 6754 1 594 . 1 1 54 54 VAL CG1 C 13 23.0600 0.50 . . . . . . 54 VAL CG1 . 6754 1 595 . 1 1 54 54 VAL CG2 C 13 20.9800 0.50 . . . . . . 54 VAL CG2 . 6754 1 596 . 1 1 54 54 VAL N N 15 118.2800 0.40 . . . . . . 54 VAL N . 6754 1 597 . 1 1 55 55 ASN H H 1 9.9600 0.04 . . . . . . 55 ASN H . 6754 1 598 . 1 1 55 55 ASN HA H 1 4.4700 0.04 . . . . . . 55 ASN HA . 6754 1 599 . 1 1 55 55 ASN HB2 H 1 3.2300 0.04 . . . . . . 55 ASN HB1 . 6754 1 600 . 1 1 55 55 ASN HB3 H 1 2.9600 0.04 . . . . . . 55 ASN HB2 . 6754 1 601 . 1 1 55 55 ASN CA C 13 54.7000 0.50 . . . . . . 55 ASN CA . 6754 1 602 . 1 1 55 55 ASN CB C 13 37.2200 0.50 . . . . . . 55 ASN CB . 6754 1 603 . 1 1 55 55 ASN N N 15 128.2600 0.40 . . . . . . 55 ASN N . 6754 1 604 . 1 1 56 56 GLY H H 1 8.7600 0.04 . . . . . . 56 GLY H . 6754 1 605 . 1 1 56 56 GLY HA2 H 1 4.1900 0.04 . . . . . . 56 GLY HA1 . 6754 1 606 . 1 1 56 56 GLY HA3 H 1 3.5700 0.04 . . . . . . 56 GLY HA2 . 6754 1 607 . 1 1 56 56 GLY CA C 13 45.6900 0.50 . . . . . . 56 GLY CA . 6754 1 608 . 1 1 56 56 GLY N N 15 102.7800 0.40 . . . . . . 56 GLY N . 6754 1 609 . 1 1 57 57 GLU H H 1 8.1400 0.04 . . . . . . 57 GLU H . 6754 1 610 . 1 1 57 57 GLU HA H 1 4.3800 0.04 . . . . . . 57 GLU HA . 6754 1 611 . 1 1 57 57 GLU HB2 H 1 2.0500 0.04 . . . . . . 57 GLU HB . 6754 1 612 . 1 1 57 57 GLU HB3 H 1 2.0500 0.04 . . . . . . 57 GLU HB . 6754 1 613 . 1 1 57 57 GLU HG2 H 1 2.2400 0.04 . . . . . . 57 GLU HG1 . 6754 1 614 . 1 1 57 57 GLU HG3 H 1 2.0500 0.04 . . . . . . 57 GLU HG2 . 6754 1 615 . 1 1 57 57 GLU CA C 13 55.8600 0.50 . . . . . . 57 GLU CA . 6754 1 616 . 1 1 57 57 GLU CB C 13 30.1400 0.50 . . . . . . 57 GLU CB . 6754 1 617 . 1 1 57 57 GLU CG C 13 36.1300 0.50 . . . . . . 57 GLU CG . 6754 1 618 . 1 1 57 57 GLU N N 15 122.7800 0.40 . . . . . . 57 GLU N . 6754 1 619 . 1 1 58 58 ASP H H 1 8.6000 0.04 . . . . . . 58 ASP H . 6754 1 620 . 1 1 58 58 ASP HA H 1 4.4300 0.04 . . . . . . 58 ASP HA . 6754 1 621 . 1 1 58 58 ASP HB2 H 1 2.8100 0.04 . . . . . . 58 ASP HB . 6754 1 622 . 1 1 58 58 ASP HB3 H 1 2.8100 0.04 . . . . . . 58 ASP HB . 6754 1 623 . 1 1 58 58 ASP CA C 13 55.7600 0.50 . . . . . . 58 ASP CA . 6754 1 624 . 1 1 58 58 ASP CB C 13 42.0900 0.50 . . . . . . 58 ASP CB . 6754 1 625 . 1 1 58 58 ASP N N 15 125.7600 0.40 . . . . . . 58 ASP N . 6754 1 626 . 1 1 59 59 LEU H H 1 8.7200 0.04 . . . . . . 59 LEU H . 6754 1 627 . 1 1 59 59 LEU HA H 1 4.7000 0.04 . . . . . . 59 LEU HA . 6754 1 628 . 1 1 59 59 LEU HB2 H 1 1.8400 0.04 . . . . . . 59 LEU HB1 . 6754 1 629 . 1 1 59 59 LEU HB3 H 1 1.2600 0.04 . . . . . . 59 LEU HB2 . 6754 1 630 . 1 1 59 59 LEU HG H 1 1.6900 0.04 . . . . . . 59 LEU HG . 6754 1 631 . 1 1 59 59 LEU HD11 H 1 0.7000 0.04 . . . . . . 59 LEU HD1 . 6754 1 632 . 1 1 59 59 LEU HD12 H 1 0.7000 0.04 . . . . . . 59 LEU HD1 . 6754 1 633 . 1 1 59 59 LEU HD13 H 1 0.7000 0.04 . . . . . . 59 LEU HD1 . 6754 1 634 . 1 1 59 59 LEU CA C 13 54.1800 0.50 . . . . . . 59 LEU CA . 6754 1 635 . 1 1 59 59 LEU N N 15 128.0200 0.40 . . . . . . 59 LEU N . 6754 1 636 . 1 1 60 60 SER H H 1 9.0100 0.04 . . . . . . 60 SER H . 6754 1 637 . 1 1 60 60 SER HA H 1 4.2600 0.04 . . . . . . 60 SER HA . 6754 1 638 . 1 1 60 60 SER HB2 H 1 4.0900 0.04 . . . . . . 60 SER HB1 . 6754 1 639 . 1 1 60 60 SER HB3 H 1 4.0200 0.04 . . . . . . 60 SER HB2 . 6754 1 640 . 1 1 60 60 SER CA C 13 62.9400 0.50 . . . . . . 60 SER CA . 6754 1 641 . 1 1 60 60 SER CB C 13 63.3700 0.50 . . . . . . 60 SER CB . 6754 1 642 . 1 1 60 60 SER N N 15 119.5000 0.40 . . . . . . 60 SER N . 6754 1 643 . 1 1 61 61 SER H H 1 8.5100 0.04 . . . . . . 61 SER H . 6754 1 644 . 1 1 61 61 SER HA H 1 4.7300 0.04 . . . . . . 61 SER HA . 6754 1 645 . 1 1 61 61 SER HB2 H 1 3.8700 0.04 . . . . . . 61 SER HB . 6754 1 646 . 1 1 61 61 SER HB3 H 1 3.8700 0.04 . . . . . . 61 SER HB . 6754 1 647 . 1 1 61 61 SER CA C 13 56.9800 0.50 . . . . . . 61 SER CA . 6754 1 648 . 1 1 61 61 SER CB C 13 64.2100 0.50 . . . . . . 61 SER CB . 6754 1 649 . 1 1 61 61 SER N N 15 115.5800 0.40 . . . . . . 61 SER N . 6754 1 650 . 1 1 62 62 ALA H H 1 7.0600 0.04 . . . . . . 62 ALA H . 6754 1 651 . 1 1 62 62 ALA HA H 1 4.6000 0.04 . . . . . . 62 ALA HA . 6754 1 652 . 1 1 62 62 ALA HB1 H 1 1.5300 0.04 . . . . . . 62 ALA HB . 6754 1 653 . 1 1 62 62 ALA HB2 H 1 1.5300 0.04 . . . . . . 62 ALA HB . 6754 1 654 . 1 1 62 62 ALA HB3 H 1 1.5300 0.04 . . . . . . 62 ALA HB . 6754 1 655 . 1 1 62 62 ALA CA C 13 52.7200 0.50 . . . . . . 62 ALA CA . 6754 1 656 . 1 1 62 62 ALA CB C 13 21.1200 0.50 . . . . . . 62 ALA CB . 6754 1 657 . 1 1 62 62 ALA N N 15 123.4700 0.40 . . . . . . 62 ALA N . 6754 1 658 . 1 1 63 63 THR H H 1 8.6500 0.04 . . . . . . 63 THR H . 6754 1 659 . 1 1 63 63 THR HA H 1 5.0100 0.04 . . . . . . 63 THR HA . 6754 1 660 . 1 1 63 63 THR HB H 1 4.8100 0.04 . . . . . . 63 THR HB . 6754 1 661 . 1 1 63 63 THR HG21 H 1 1.3200 0.04 . . . . . . 63 THR HG2 . 6754 1 662 . 1 1 63 63 THR HG22 H 1 1.3200 0.04 . . . . . . 63 THR HG2 . 6754 1 663 . 1 1 63 63 THR HG23 H 1 1.3200 0.04 . . . . . . 63 THR HG2 . 6754 1 664 . 1 1 63 63 THR CA C 13 61.2400 0.50 . . . . . . 63 THR CA . 6754 1 665 . 1 1 63 63 THR CB C 13 71.3300 0.50 . . . . . . 63 THR CB . 6754 1 666 . 1 1 63 63 THR CG2 C 13 22.8700 0.50 . . . . . . 63 THR CG2 . 6754 1 667 . 1 1 63 63 THR N N 15 112.2200 0.40 . . . . . . 63 THR N . 6754 1 668 . 1 1 64 64 HIS H H 1 10.0800 0.04 . . . . . . 64 HIS H . 6754 1 669 . 1 1 64 64 HIS HA H 1 3.8700 0.04 . . . . . . 64 HIS HA . 6754 1 670 . 1 1 64 64 HIS HB2 H 1 3.5800 0.04 . . . . . . 64 HIS HB1 . 6754 1 671 . 1 1 64 64 HIS HB3 H 1 3.2200 0.04 . . . . . . 64 HIS HB2 . 6754 1 672 . 1 1 64 64 HIS HD2 H 1 7.0300 0.04 . . . . . . 64 HIS HD2 . 6754 1 673 . 1 1 64 64 HIS HE1 H 1 8.5900 0.04 . . . . . . 64 HIS HE1 . 6754 1 674 . 1 1 64 64 HIS CA C 13 62.5700 0.50 . . . . . . 64 HIS CA . 6754 1 675 . 1 1 64 64 HIS CB C 13 29.4700 0.50 . . . . . . 64 HIS CB . 6754 1 676 . 1 1 64 64 HIS N N 15 122.1200 0.40 . . . . . . 64 HIS N . 6754 1 677 . 1 1 65 65 ASP H H 1 8.9100 0.04 . . . . . . 65 ASP H . 6754 1 678 . 1 1 65 65 ASP HA H 1 4.3400 0.04 . . . . . . 65 ASP HA . 6754 1 679 . 1 1 65 65 ASP HB2 H 1 2.6800 0.04 . . . . . . 65 ASP HB1 . 6754 1 680 . 1 1 65 65 ASP HB3 H 1 2.6100 0.04 . . . . . . 65 ASP HB2 . 6754 1 681 . 1 1 65 65 ASP CA C 13 57.9100 0.50 . . . . . . 65 ASP CA . 6754 1 682 . 1 1 65 65 ASP CB C 13 41.5100 0.50 . . . . . . 65 ASP CB . 6754 1 683 . 1 1 65 65 ASP N N 15 115.5200 0.40 . . . . . . 65 ASP N . 6754 1 684 . 1 1 66 66 GLU H H 1 7.8300 0.04 . . . . . . 66 GLU H . 6754 1 685 . 1 1 66 66 GLU HA H 1 3.8800 0.04 . . . . . . 66 GLU HA . 6754 1 686 . 1 1 66 66 GLU HB2 H 1 2.3800 0.04 . . . . . . 66 GLU HB1 . 6754 1 687 . 1 1 66 66 GLU HB3 H 1 1.8800 0.04 . . . . . . 66 GLU HB2 . 6754 1 688 . 1 1 66 66 GLU HG2 H 1 2.3100 0.04 . . . . . . 66 GLU HG . 6754 1 689 . 1 1 66 66 GLU HG3 H 1 2.3100 0.04 . . . . . . 66 GLU HG . 6754 1 690 . 1 1 66 66 GLU CA C 13 59.5900 0.50 . . . . . . 66 GLU CA . 6754 1 691 . 1 1 66 66 GLU CB C 13 30.5900 0.50 . . . . . . 66 GLU CB . 6754 1 692 . 1 1 66 66 GLU CG C 13 37.8000 0.50 . . . . . . 66 GLU CG . 6754 1 693 . 1 1 66 66 GLU N N 15 119.1900 0.40 . . . . . . 66 GLU N . 6754 1 694 . 1 1 67 67 ALA H H 1 8.1700 0.04 . . . . . . 67 ALA H . 6754 1 695 . 1 1 67 67 ALA HA H 1 4.0000 0.04 . . . . . . 67 ALA HA . 6754 1 696 . 1 1 67 67 ALA HB1 H 1 1.3500 0.04 . . . . . . 67 ALA HB . 6754 1 697 . 1 1 67 67 ALA HB2 H 1 1.3500 0.04 . . . . . . 67 ALA HB . 6754 1 698 . 1 1 67 67 ALA HB3 H 1 1.3500 0.04 . . . . . . 67 ALA HB . 6754 1 699 . 1 1 67 67 ALA CA C 13 55.6600 0.50 . . . . . . 67 ALA CA . 6754 1 700 . 1 1 67 67 ALA CB C 13 19.6800 0.50 . . . . . . 67 ALA CB . 6754 1 701 . 1 1 67 67 ALA N N 15 122.7900 0.40 . . . . . . 67 ALA N . 6754 1 702 . 1 1 68 68 VAL H H 1 8.3700 0.04 . . . . . . 68 VAL H . 6754 1 703 . 1 1 68 68 VAL HA H 1 3.3500 0.04 . . . . . . 68 VAL HA . 6754 1 704 . 1 1 68 68 VAL HB H 1 2.1400 0.04 . . . . . . 68 VAL HB . 6754 1 705 . 1 1 68 68 VAL HG11 H 1 0.9000 0.04 . . . . . . 68 VAL HG1 . 6754 1 706 . 1 1 68 68 VAL HG12 H 1 0.9000 0.04 . . . . . . 68 VAL HG1 . 6754 1 707 . 1 1 68 68 VAL HG13 H 1 0.9000 0.04 . . . . . . 68 VAL HG1 . 6754 1 708 . 1 1 68 68 VAL HG21 H 1 0.8400 0.04 . . . . . . 68 VAL HG2 . 6754 1 709 . 1 1 68 68 VAL HG22 H 1 0.8400 0.04 . . . . . . 68 VAL HG2 . 6754 1 710 . 1 1 68 68 VAL HG23 H 1 0.8400 0.04 . . . . . . 68 VAL HG2 . 6754 1 711 . 1 1 68 68 VAL CA C 13 67.5400 0.50 . . . . . . 68 VAL CA . 6754 1 712 . 1 1 68 68 VAL CB C 13 32.3800 0.50 . . . . . . 68 VAL CB . 6754 1 713 . 1 1 68 68 VAL CG1 C 13 21.5600 0.50 . . . . . . 68 VAL CG1 . 6754 1 714 . 1 1 68 68 VAL CG2 C 13 23.5700 0.50 . . . . . . 68 VAL CG2 . 6754 1 715 . 1 1 68 68 VAL N N 15 118.0100 0.40 . . . . . . 68 VAL N . 6754 1 716 . 1 1 69 69 GLN H H 1 7.9400 0.04 . . . . . . 69 GLN H . 6754 1 717 . 1 1 69 69 GLN HA H 1 3.9600 0.04 . . . . . . 69 GLN HA . 6754 1 718 . 1 1 69 69 GLN HB2 H 1 2.1000 0.04 . . . . . . 69 GLN HB . 6754 1 719 . 1 1 69 69 GLN HB3 H 1 2.1000 0.04 . . . . . . 69 GLN HB . 6754 1 720 . 1 1 69 69 GLN HG2 H 1 2.5000 0.04 . . . . . . 69 GLN HG . 6754 1 721 . 1 1 69 69 GLN HG3 H 1 2.5000 0.04 . . . . . . 69 GLN HG . 6754 1 722 . 1 1 69 69 GLN CA C 13 59.0300 0.50 . . . . . . 69 GLN CA . 6754 1 723 . 1 1 69 69 GLN CB C 13 28.5500 0.50 . . . . . . 69 GLN CB . 6754 1 724 . 1 1 69 69 GLN CG C 13 34.0500 0.50 . . . . . . 69 GLN CG . 6754 1 725 . 1 1 69 69 GLN N N 15 116.8100 0.40 . . . . . . 69 GLN N . 6754 1 726 . 1 1 70 70 ALA H H 1 7.9500 0.04 . . . . . . 70 ALA H . 6754 1 727 . 1 1 70 70 ALA HA H 1 4.0900 0.04 . . . . . . 70 ALA HA . 6754 1 728 . 1 1 70 70 ALA HB1 H 1 1.4200 0.04 . . . . . . 70 ALA HB . 6754 1 729 . 1 1 70 70 ALA HB2 H 1 1.4200 0.04 . . . . . . 70 ALA HB . 6754 1 730 . 1 1 70 70 ALA HB3 H 1 1.4200 0.04 . . . . . . 70 ALA HB . 6754 1 731 . 1 1 70 70 ALA CA C 13 55.3700 0.50 . . . . . . 70 ALA CA . 6754 1 732 . 1 1 70 70 ALA CB C 13 18.4000 0.50 . . . . . . 70 ALA CB . 6754 1 733 . 1 1 70 70 ALA N N 15 121.4400 0.40 . . . . . . 70 ALA N . 6754 1 734 . 1 1 71 71 LEU H H 1 7.9600 0.04 . . . . . . 71 LEU H . 6754 1 735 . 1 1 71 71 LEU HA H 1 3.9600 0.04 . . . . . . 71 LEU HA . 6754 1 736 . 1 1 71 71 LEU HB2 H 1 1.9000 0.04 . . . . . . 71 LEU HB1 . 6754 1 737 . 1 1 71 71 LEU HB3 H 1 1.4200 0.04 . . . . . . 71 LEU HB2 . 6754 1 738 . 1 1 71 71 LEU HG H 1 1.7700 0.04 . . . . . . 71 LEU HG . 6754 1 739 . 1 1 71 71 LEU HD11 H 1 0.6900 0.04 . . . . . . 71 LEU HD1 . 6754 1 740 . 1 1 71 71 LEU HD12 H 1 0.6900 0.04 . . . . . . 71 LEU HD1 . 6754 1 741 . 1 1 71 71 LEU HD13 H 1 0.6900 0.04 . . . . . . 71 LEU HD1 . 6754 1 742 . 1 1 71 71 LEU CA C 13 57.5400 0.50 . . . . . . 71 LEU CA . 6754 1 743 . 1 1 71 71 LEU CB C 13 41.8900 0.50 . . . . . . 71 LEU CB . 6754 1 744 . 1 1 71 71 LEU CG C 13 27.9000 0.50 . . . . . . 71 LEU CG . 6754 1 745 . 1 1 71 71 LEU CD1 C 13 25.9900 0.50 . . . . . . 71 LEU CD1 . 6754 1 746 . 1 1 71 71 LEU CD2 C 13 23.4300 0.50 . . . . . . 71 LEU CD2 . 6754 1 747 . 1 1 71 71 LEU N N 15 114.9700 0.40 . . . . . . 71 LEU N . 6754 1 748 . 1 1 72 72 LYS H H 1 7.9700 0.04 . . . . . . 72 LYS H . 6754 1 749 . 1 1 72 72 LYS HA H 1 4.1700 0.04 . . . . . . 72 LYS HA . 6754 1 750 . 1 1 72 72 LYS HB2 H 1 1.9300 0.04 . . . . . . 72 LYS HB . 6754 1 751 . 1 1 72 72 LYS HB3 H 1 1.9300 0.04 . . . . . . 72 LYS HB . 6754 1 752 . 1 1 72 72 LYS HG2 H 1 1.5700 0.04 . . . . . . 72 LYS HG1 . 6754 1 753 . 1 1 72 72 LYS HG3 H 1 1.4800 0.04 . . . . . . 72 LYS HG2 . 6754 1 754 . 1 1 72 72 LYS HD2 H 1 1.6300 0.04 . . . . . . 72 LYS HD . 6754 1 755 . 1 1 72 72 LYS HD3 H 1 1.6300 0.04 . . . . . . 72 LYS HD . 6754 1 756 . 1 1 72 72 LYS HE2 H 1 2.9300 0.04 . . . . . . 72 LYS HE . 6754 1 757 . 1 1 72 72 LYS HE3 H 1 2.9300 0.04 . . . . . . 72 LYS HE . 6754 1 758 . 1 1 72 72 LYS CA C 13 58.8400 0.50 . . . . . . 72 LYS CA . 6754 1 759 . 1 1 72 72 LYS CB C 13 33.3000 0.50 . . . . . . 72 LYS CB . 6754 1 760 . 1 1 72 72 LYS CG C 13 25.9900 0.50 . . . . . . 72 LYS CG . 6754 1 761 . 1 1 72 72 LYS CD C 13 29.8900 0.50 . . . . . . 72 LYS CD . 6754 1 762 . 1 1 72 72 LYS CE C 13 42.2900 0.50 . . . . . . 72 LYS CE . 6754 1 763 . 1 1 72 72 LYS N N 15 120.5100 0.40 . . . . . . 72 LYS N . 6754 1 764 . 1 1 73 73 LYS H H 1 7.4000 0.04 . . . . . . 73 LYS H . 6754 1 765 . 1 1 73 73 LYS HA H 1 4.4200 0.04 . . . . . . 73 LYS HA . 6754 1 766 . 1 1 73 73 LYS HB2 H 1 1.9400 0.04 . . . . . . 73 LYS HB1 . 6754 1 767 . 1 1 73 73 LYS HB3 H 1 1.8100 0.04 . . . . . . 73 LYS HB2 . 6754 1 768 . 1 1 73 73 LYS HG2 H 1 1.5500 0.04 . . . . . . 73 LYS HG . 6754 1 769 . 1 1 73 73 LYS HG3 H 1 1.5500 0.04 . . . . . . 73 LYS HG . 6754 1 770 . 1 1 73 73 LYS HD2 H 1 1.6700 0.04 . . . . . . 73 LYS HD . 6754 1 771 . 1 1 73 73 LYS HD3 H 1 1.6700 0.04 . . . . . . 73 LYS HD . 6754 1 772 . 1 1 73 73 LYS HE2 H 1 2.9700 0.04 . . . . . . 73 LYS HE . 6754 1 773 . 1 1 73 73 LYS HE3 H 1 2.9700 0.04 . . . . . . 73 LYS HE . 6754 1 774 . 1 1 73 73 LYS CA C 13 56.6100 0.50 . . . . . . 73 LYS CA . 6754 1 775 . 1 1 73 73 LYS CB C 13 32.7900 0.50 . . . . . . 73 LYS CB . 6754 1 776 . 1 1 73 73 LYS CG C 13 25.4800 0.50 . . . . . . 73 LYS CG . 6754 1 777 . 1 1 73 73 LYS CD C 13 29.7300 0.50 . . . . . . 73 LYS CD . 6754 1 778 . 1 1 73 73 LYS CE C 13 42.3900 0.50 . . . . . . 73 LYS CE . 6754 1 779 . 1 1 73 73 LYS N N 15 118.7900 0.40 . . . . . . 73 LYS N . 6754 1 780 . 1 1 74 74 THR H H 1 7.4000 0.04 . . . . . . 74 THR H . 6754 1 781 . 1 1 74 74 THR HA H 1 4.2100 0.04 . . . . . . 74 THR HA . 6754 1 782 . 1 1 74 74 THR HB H 1 4.2100 0.04 . . . . . . 74 THR HB . 6754 1 783 . 1 1 74 74 THR HG21 H 1 1.3100 0.04 . . . . . . 74 THR HG2 . 6754 1 784 . 1 1 74 74 THR HG22 H 1 1.3100 0.04 . . . . . . 74 THR HG2 . 6754 1 785 . 1 1 74 74 THR HG23 H 1 1.3100 0.04 . . . . . . 74 THR HG2 . 6754 1 786 . 1 1 74 74 THR CA C 13 62.0000 0.50 . . . . . . 74 THR CA . 6754 1 787 . 1 1 74 74 THR CB C 13 72.1100 0.50 . . . . . . 74 THR CB . 6754 1 788 . 1 1 74 74 THR CG2 C 13 22.7000 0.50 . . . . . . 74 THR CG2 . 6754 1 789 . 1 1 74 74 THR N N 15 110.4000 0.40 . . . . . . 74 THR N . 6754 1 790 . 1 1 75 75 GLY H H 1 8.5100 0.04 . . . . . . 75 GLY H . 6754 1 791 . 1 1 75 75 GLY HA2 H 1 4.2900 0.04 . . . . . . 75 GLY HA1 . 6754 1 792 . 1 1 75 75 GLY HA3 H 1 3.8300 0.04 . . . . . . 75 GLY HA2 . 6754 1 793 . 1 1 75 75 GLY CA C 13 44.7000 0.50 . . . . . . 75 GLY CA . 6754 1 794 . 1 1 75 75 GLY N N 15 110.2500 0.40 . . . . . . 75 GLY N . 6754 1 795 . 1 1 76 76 LYS H H 1 8.2520 0.04 . . . . . . 76 LYS H . 6754 1 796 . 1 1 76 76 LYS HA H 1 4.0900 0.04 . . . . . . 76 LYS HA . 6754 1 797 . 1 1 76 76 LYS HB2 H 1 1.8700 0.04 . . . . . . 76 LYS HB1 . 6754 1 798 . 1 1 76 76 LYS HB3 H 1 1.8500 0.04 . . . . . . 76 LYS HB2 . 6754 1 799 . 1 1 76 76 LYS HG2 H 1 1.5700 0.04 . . . . . . 76 LYS HG1 . 6754 1 800 . 1 1 76 76 LYS HG3 H 1 1.4700 0.04 . . . . . . 76 LYS HG2 . 6754 1 801 . 1 1 76 76 LYS HD2 H 1 1.7200 0.04 . . . . . . 76 LYS HD . 6754 1 802 . 1 1 76 76 LYS HD3 H 1 1.7200 0.04 . . . . . . 76 LYS HD . 6754 1 803 . 1 1 76 76 LYS HE2 H 1 3.0200 0.04 . . . . . . 76 LYS HE . 6754 1 804 . 1 1 76 76 LYS HE3 H 1 3.0200 0.04 . . . . . . 76 LYS HE . 6754 1 805 . 1 1 76 76 LYS CA C 13 59.2100 0.50 . . . . . . 76 LYS CA . 6754 1 806 . 1 1 76 76 LYS CB C 13 33.9800 0.50 . . . . . . 76 LYS CB . 6754 1 807 . 1 1 76 76 LYS CD C 13 29.5500 0.50 . . . . . . 76 LYS CD . 6754 1 808 . 1 1 76 76 LYS CE C 13 42.4200 0.50 . . . . . . 76 LYS CE . 6754 1 809 . 1 1 76 76 LYS N N 15 119.4000 0.40 . . . . . . 76 LYS N . 6754 1 810 . 1 1 77 77 GLU H H 1 7.7900 0.04 . . . . . . 77 GLU H . 6754 1 811 . 1 1 77 77 GLU HA H 1 5.0000 0.04 . . . . . . 77 GLU HA . 6754 1 812 . 1 1 77 77 GLU HB2 H 1 1.8500 0.04 . . . . . . 77 GLU HB . 6754 1 813 . 1 1 77 77 GLU HB3 H 1 1.8500 0.04 . . . . . . 77 GLU HB . 6754 1 814 . 1 1 77 77 GLU HG2 H 1 2.0200 0.04 . . . . . . 77 GLU HG . 6754 1 815 . 1 1 77 77 GLU HG3 H 1 2.0200 0.04 . . . . . . 77 GLU HG . 6754 1 816 . 1 1 77 77 GLU CA C 13 55.4900 0.50 . . . . . . 77 GLU CA . 6754 1 817 . 1 1 77 77 GLU CB C 13 32.9300 0.50 . . . . . . 77 GLU CB . 6754 1 818 . 1 1 77 77 GLU CG C 13 37.6200 0.50 . . . . . . 77 GLU CG . 6754 1 819 . 1 1 77 77 GLU N N 15 115.9500 0.40 . . . . . . 77 GLU N . 6754 1 820 . 1 1 78 78 VAL H H 1 8.9400 0.04 . . . . . . 78 VAL H . 6754 1 821 . 1 1 78 78 VAL HA H 1 4.6200 0.04 . . . . . . 78 VAL HA . 6754 1 822 . 1 1 78 78 VAL HB H 1 1.9100 0.04 . . . . . . 78 VAL HB . 6754 1 823 . 1 1 78 78 VAL HG11 H 1 0.8700 0.04 . . . . . . 78 VAL HG1 . 6754 1 824 . 1 1 78 78 VAL HG12 H 1 0.8700 0.04 . . . . . . 78 VAL HG1 . 6754 1 825 . 1 1 78 78 VAL HG13 H 1 0.8700 0.04 . . . . . . 78 VAL HG1 . 6754 1 826 . 1 1 78 78 VAL CA C 13 61.1200 0.50 . . . . . . 78 VAL CA . 6754 1 827 . 1 1 78 78 VAL CB C 13 35.4300 0.50 . . . . . . 78 VAL CB . 6754 1 828 . 1 1 78 78 VAL CG1 C 13 22.8500 0.50 . . . . . . 78 VAL CG1 . 6754 1 829 . 1 1 78 78 VAL CG2 C 13 22.5800 0.50 . . . . . . 78 VAL CG2 . 6754 1 830 . 1 1 78 78 VAL N N 15 125.0100 0.40 . . . . . . 78 VAL N . 6754 1 831 . 1 1 79 79 VAL H H 1 8.7100 0.04 . . . . . . 79 VAL H . 6754 1 832 . 1 1 79 79 VAL HA H 1 4.7000 0.04 . . . . . . 79 VAL HA . 6754 1 833 . 1 1 79 79 VAL HB H 1 1.9800 0.04 . . . . . . 79 VAL HB . 6754 1 834 . 1 1 79 79 VAL HG11 H 1 0.9500 0.04 . . . . . . 79 VAL HG1 . 6754 1 835 . 1 1 79 79 VAL HG12 H 1 0.9500 0.04 . . . . . . 79 VAL HG1 . 6754 1 836 . 1 1 79 79 VAL HG13 H 1 0.9500 0.04 . . . . . . 79 VAL HG1 . 6754 1 837 . 1 1 79 79 VAL HG21 H 1 0.7500 0.04 . . . . . . 79 VAL HG2 . 6754 1 838 . 1 1 79 79 VAL HG22 H 1 0.7500 0.04 . . . . . . 79 VAL HG2 . 6754 1 839 . 1 1 79 79 VAL HG23 H 1 0.7500 0.04 . . . . . . 79 VAL HG2 . 6754 1 840 . 1 1 79 79 VAL CA C 13 61.8200 0.50 . . . . . . 79 VAL CA . 6754 1 841 . 1 1 79 79 VAL CB C 13 33.1200 0.50 . . . . . . 79 VAL CB . 6754 1 842 . 1 1 79 79 VAL CG1 C 13 21.5700 0.50 . . . . . . 79 VAL CG1 . 6754 1 843 . 1 1 79 79 VAL CG2 C 13 21.7500 0.50 . . . . . . 79 VAL CG2 . 6754 1 844 . 1 1 79 79 VAL N N 15 126.2800 0.40 . . . . . . 79 VAL N . 6754 1 845 . 1 1 80 80 LEU H H 1 9.5300 0.04 . . . . . . 80 LEU H . 6754 1 846 . 1 1 80 80 LEU HA H 1 5.2000 0.04 . . . . . . 80 LEU HA . 6754 1 847 . 1 1 80 80 LEU HB2 H 1 1.7800 0.04 . . . . . . 80 LEU HB1 . 6754 1 848 . 1 1 80 80 LEU HB3 H 1 1.3300 0.04 . . . . . . 80 LEU HB2 . 6754 1 849 . 1 1 80 80 LEU HG H 1 1.6400 0.04 . . . . . . 80 LEU HG . 6754 1 850 . 1 1 80 80 LEU HD11 H 1 0.7700 0.04 . . . . . . 80 LEU HD1 . 6754 1 851 . 1 1 80 80 LEU HD12 H 1 0.7700 0.04 . . . . . . 80 LEU HD1 . 6754 1 852 . 1 1 80 80 LEU HD13 H 1 0.7700 0.04 . . . . . . 80 LEU HD1 . 6754 1 853 . 1 1 80 80 LEU CA C 13 53.8200 0.50 . . . . . . 80 LEU CA . 6754 1 854 . 1 1 80 80 LEU CB C 13 45.2400 0.50 . . . . . . 80 LEU CB . 6754 1 855 . 1 1 80 80 LEU CG C 13 27.7500 0.50 . . . . . . 80 LEU CG . 6754 1 856 . 1 1 80 80 LEU CD1 C 13 25.4700 0.50 . . . . . . 80 LEU CD1 . 6754 1 857 . 1 1 80 80 LEU CD2 C 13 26.6000 0.50 . . . . . . 80 LEU CD2 . 6754 1 858 . 1 1 80 80 LEU N N 15 130.5800 0.40 . . . . . . 80 LEU N . 6754 1 859 . 1 1 81 81 GLU H H 1 7.9000 0.04 . . . . . . 81 GLU H . 6754 1 860 . 1 1 81 81 GLU HA H 1 5.4900 0.04 . . . . . . 81 GLU HA . 6754 1 861 . 1 1 81 81 GLU HB2 H 1 1.8900 0.04 . . . . . . 81 GLU HB . 6754 1 862 . 1 1 81 81 GLU HB3 H 1 1.8900 0.04 . . . . . . 81 GLU HB . 6754 1 863 . 1 1 81 81 GLU HG2 H 1 2.1800 0.04 . . . . . . 81 GLU HG1 . 6754 1 864 . 1 1 81 81 GLU HG3 H 1 1.9600 0.04 . . . . . . 81 GLU HG2 . 6754 1 865 . 1 1 81 81 GLU CA C 13 55.8600 0.50 . . . . . . 81 GLU CA . 6754 1 866 . 1 1 81 81 GLU CB C 13 31.7900 0.50 . . . . . . 81 GLU CB . 6754 1 867 . 1 1 81 81 GLU CG C 13 37.6100 0.50 . . . . . . 81 GLU CG . 6754 1 868 . 1 1 81 81 GLU N N 15 120.7600 0.40 . . . . . . 81 GLU N . 6754 1 869 . 1 1 82 82 VAL H H 1 9.0400 0.04 . . . . . . 82 VAL H . 6754 1 870 . 1 1 82 82 VAL HA H 1 5.8600 0.04 . . . . . . 82 VAL HA . 6754 1 871 . 1 1 82 82 VAL HB H 1 2.0400 0.04 . . . . . . 82 VAL HB . 6754 1 872 . 1 1 82 82 VAL HG11 H 1 0.7900 0.04 . . . . . . 82 VAL HG1 . 6754 1 873 . 1 1 82 82 VAL HG12 H 1 0.7900 0.04 . . . . . . 82 VAL HG1 . 6754 1 874 . 1 1 82 82 VAL HG13 H 1 0.7900 0.04 . . . . . . 82 VAL HG1 . 6754 1 875 . 1 1 82 82 VAL CA C 13 58.5300 0.50 . . . . . . 82 VAL CA . 6754 1 876 . 1 1 82 82 VAL CB C 13 37.7800 0.50 . . . . . . 82 VAL CB . 6754 1 877 . 1 1 82 82 VAL CG1 C 13 22.8300 0.50 . . . . . . 82 VAL CG1 . 6754 1 878 . 1 1 82 82 VAL CG2 C 13 18.2400 0.50 . . . . . . 82 VAL CG2 . 6754 1 879 . 1 1 82 82 VAL N N 15 116.7000 0.40 . . . . . . 82 VAL N . 6754 1 880 . 1 1 83 83 LYS H H 1 8.5300 0.04 . . . . . . 83 LYS H . 6754 1 881 . 1 1 83 83 LYS HA H 1 4.2200 0.04 . . . . . . 83 LYS HA . 6754 1 882 . 1 1 83 83 LYS HB2 H 1 1.6300 0.04 . . . . . . 83 LYS HB . 6754 1 883 . 1 1 83 83 LYS HB3 H 1 1.6300 0.04 . . . . . . 83 LYS HB . 6754 1 884 . 1 1 83 83 LYS HG2 H 1 1.3200 0.04 . . . . . . 83 LYS HG . 6754 1 885 . 1 1 83 83 LYS HG3 H 1 1.3200 0.04 . . . . . . 83 LYS HG . 6754 1 886 . 1 1 83 83 LYS HE2 H 1 3.1300 0.04 . . . . . . 83 LYS HE . 6754 1 887 . 1 1 83 83 LYS HE3 H 1 3.1300 0.04 . . . . . . 83 LYS HE . 6754 1 888 . 1 1 83 83 LYS N N 15 118.5000 0.40 . . . . . . 83 LYS N . 6754 1 889 . 1 1 84 84 TYR H H 1 9.0400 0.04 . . . . . . 84 TYR H . 6754 1 890 . 1 1 84 84 TYR HA H 1 4.9500 0.04 . . . . . . 84 TYR HA . 6754 1 891 . 1 1 84 84 TYR HB2 H 1 3.0500 0.04 . . . . . . 84 TYR HB1 . 6754 1 892 . 1 1 84 84 TYR HB3 H 1 2.8300 0.04 . . . . . . 84 TYR HB2 . 6754 1 893 . 1 1 84 84 TYR HD1 H 1 7.0200 0.04 . . . . . . 84 TYR HD . 6754 1 894 . 1 1 84 84 TYR HD2 H 1 7.0200 0.04 . . . . . . 84 TYR HD . 6754 1 895 . 1 1 84 84 TYR HE1 H 1 6.7900 0.04 . . . . . . 84 TYR HE . 6754 1 896 . 1 1 84 84 TYR HE2 H 1 6.7900 0.04 . . . . . . 84 TYR HE . 6754 1 897 . 1 1 84 84 TYR CA C 13 60.3400 0.50 . . . . . . 84 TYR CA . 6754 1 898 . 1 1 84 84 TYR CB C 13 38.7100 0.50 . . . . . . 84 TYR CB . 6754 1 899 . 1 1 84 84 TYR N N 15 128.4900 0.40 . . . . . . 84 TYR N . 6754 1 900 . 1 1 85 85 MET H H 1 7.8300 0.04 . . . . . . 85 MET H . 6754 1 901 . 1 1 85 85 MET HA H 1 4.5700 0.04 . . . . . . 85 MET HA . 6754 1 902 . 1 1 85 85 MET HB2 H 1 2.5000 0.04 . . . . . . 85 MET HB1 . 6754 1 903 . 1 1 85 85 MET HB3 H 1 2.1000 0.04 . . . . . . 85 MET HB2 . 6754 1 904 . 1 1 85 85 MET HG2 H 1 1.8800 0.04 . . . . . . 85 MET HG . 6754 1 905 . 1 1 85 85 MET HG3 H 1 1.8800 0.04 . . . . . . 85 MET HG . 6754 1 906 . 1 1 85 85 MET CA C 13 55.1100 0.50 . . . . . . 85 MET CA . 6754 1 907 . 1 1 85 85 MET CB C 13 33.3000 0.50 . . . . . . 85 MET CB . 6754 1 908 . 1 1 85 85 MET CG C 13 33.3000 0.50 . . . . . . 85 MET CG . 6754 1 909 . 1 1 85 85 MET N N 15 126.7000 0.40 . . . . . . 85 MET N . 6754 1 910 . 1 1 86 86 LYS H H 1 6.7800 0.04 . . . . . . 86 LYS H . 6754 1 911 . 1 1 86 86 LYS HA H 1 4.0400 0.04 . . . . . . 86 LYS HA . 6754 1 912 . 1 1 86 86 LYS HB2 H 1 1.7200 0.04 . . . . . . 86 LYS HB1 . 6754 1 913 . 1 1 86 86 LYS HB3 H 1 1.4700 0.04 . . . . . . 86 LYS HB2 . 6754 1 914 . 1 1 86 86 LYS HG2 H 1 1.3600 0.04 . . . . . . 86 LYS HG . 6754 1 915 . 1 1 86 86 LYS HG3 H 1 1.3600 0.04 . . . . . . 86 LYS HG . 6754 1 916 . 1 1 86 86 LYS HE2 H 1 3.0400 0.04 . . . . . . 86 LYS HE . 6754 1 917 . 1 1 86 86 LYS HE3 H 1 3.0400 0.04 . . . . . . 86 LYS HE . 6754 1 918 . 1 1 86 86 LYS CA C 13 57.1600 0.50 . . . . . . 86 LYS CA . 6754 1 919 . 1 1 86 86 LYS CB C 13 33.8600 0.50 . . . . . . 86 LYS CB . 6754 1 920 . 1 1 86 86 LYS CG C 13 25.4200 0.50 . . . . . . 86 LYS CG . 6754 1 921 . 1 1 86 86 LYS CE C 13 41.78 0.50 . . . . . . 86 LYS CE . 6754 1 922 . 1 1 86 86 LYS N N 15 120.4400 0.40 . . . . . . 86 LYS N . 6754 1 923 . 1 1 87 87 GLU H H 1 7.9100 0.04 . . . . . . 87 GLU H . 6754 1 924 . 1 1 87 87 GLU HA H 1 4.0400 0.04 . . . . . . 87 GLU HA . 6754 1 925 . 1 1 87 87 GLU HB2 H 1 2.0200 0.04 . . . . . . 87 GLU HB1 . 6754 1 926 . 1 1 87 87 GLU HB3 H 1 1.8600 0.04 . . . . . . 87 GLU HB2 . 6754 1 927 . 1 1 87 87 GLU HG2 H 1 2.1800 0.04 . . . . . . 87 GLU HG . 6754 1 928 . 1 1 87 87 GLU HG3 H 1 2.1800 0.04 . . . . . . 87 GLU HG . 6754 1 929 . 1 1 87 87 GLU CA C 13 58.6900 0.50 . . . . . . 87 GLU CA . 6754 1 930 . 1 1 87 87 GLU CB C 13 31.8100 0.50 . . . . . . 87 GLU CB . 6754 1 931 . 1 1 87 87 GLU CG C 13 37.2400 0.50 . . . . . . 87 GLU CG . 6754 1 932 . 1 1 87 87 GLU N N 15 127.4600 0.40 . . . . . . 87 GLU N . 6754 1 stop_ save_