data_11440 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11440 _Entry.Title ; Solution structure of Magnesium-bound form of calmodulin C-domain E104D/E140D mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-27 _Entry.Accession_date 2011-04-27 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Hiroshi Hirota . . . 11440 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'RIKEN Structural Genomics/Proteomics Initiative' . 11440 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID calcium . 11440 calmodulin . 11440 EF-hand . 11440 magnesium . 11440 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11440 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 11440 '15N chemical shifts' 66 11440 '1H chemical shifts' 468 11440 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 . . 2011-08-19 2011-04-27 original author . 11440 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RRT 'BMRB Entry Tracking System' 11440 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11440 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21312310 _Citation.Full_citation . _Citation.Title 'Solution structure and fluctuation of the Mg(2+) -bound form of calmodulin C-terminal domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 4 _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 690 _Citation.Page_last 701 _Citation.Year 2011 _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 Wakana Ohashi . . . 11440 1 2 Hiroshi Hirota . . . 11440 1 3 Toshio Yamazaki . . . 11440 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11440 _Assembly.ID 1 _Assembly.Name 'Mg(2+) -bound form of calmodulin C-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Mg(2+) -bound form of calmodulin C-terminal domain' 1 $entity A . yes native no no . . . 11440 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11440 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDTDSEEEIREAFRVFDKDG NGYISAADLRHVMTNLGEKL TDEEVDEMIREADIDGDGQV NYEDFVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8259.024 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 17881 . isolcated_c_domain_of_calmodulin . . . . . 98.61 71 97.18 100.00 1.29e-40 . . . . 11440 1 2 no BMRB 17981 . isolcated_c_domain_of_calmodulin . . . . . 98.61 71 97.18 100.00 1.29e-40 . . . . 11440 1 3 no BMRB 17982 . isolcated_c_domain_of_calmodulin . . . . . 98.61 71 97.18 100.00 1.29e-40 . . . . 11440 1 4 no BMRB 17983 . isolcated_c_domain_of_calmodulin . . . . . 98.61 71 97.18 100.00 1.29e-40 . . . . 11440 1 5 no BMRB 18084 . "Calmodulin C-Lobe" . . . . . 93.06 67 97.01 100.00 7.76e-38 . . . . 11440 1 6 no BMRB 18323 . entity . . . . . 98.61 71 97.18 100.00 1.29e-40 . . . . 11440 1 7 no BMRB 25344 . CaM_E140Q_Tr2C . . . . . 98.61 73 97.18 98.59 1.52e-40 . . . . 11440 1 8 no PDB 1CMF . "Nmr Solution Structure Of Apo Calmodulin Carboxy-Terminal Domain" . . . . . 98.61 73 97.18 100.00 1.10e-40 . . . . 11440 1 9 no PDB 1CMG . "Nmr Solution Structure Of Calcium-Loaded Calmodulin Carboxy- Terminal Domain" . . . . . 98.61 73 97.18 100.00 1.10e-40 . . . . 11440 1 10 no PDB 1F71 . "Refined Solution Structure Of Calmodulin C-Terminal Domain" . . . . . 93.06 67 97.01 100.00 7.76e-38 . . . . 11440 1 11 no PDB 1FW4 . "Crystal Structure Of E. Coli Fragment Tr2c From Calmodulin To 1.7 A Resolution" . . . . . 98.61 71 97.18 100.00 1.29e-40 . . . . 11440 1 12 no PDB 1J7P . "Solution Structure Of Calcium Calmodulin C-Terminal Domain" . . . . . 93.06 67 97.01 100.00 7.76e-38 . . . . 11440 1 13 no PDB 1YRT . "Crystal Structure Analysis Of The Adenylyl Cyclaes Catalytic Domain Of Adenylyl Cyclase Toxin Of Bordetella Pertussis In Presen" . . . . . 98.61 74 97.18 100.00 9.47e-41 . . . . 11440 1 14 no PDB 1YRU . "Crystal Structure Analysis Of The Adenylyl Cyclaes Catalytic Domain Of Adenylyl Cyclase Toxin Of Bordetella Pertussis In Presen" . . . . . 98.61 74 97.18 100.00 9.47e-41 . . . . 11440 1 15 no PDB 1ZOT . "Crystal Structure Analysis Of The CyaaC-Cam With Pmeapp" . . . . . 95.83 69 97.10 100.00 3.00e-39 . . . . 11440 1 16 no PDB 2COL . "Crystal Structure Analysis Of CyaaC-Cam With Pyrophosphate" . . . . . 93.06 67 97.01 100.00 1.13e-37 . . . . 11440 1 17 no PDB 2HF5 . "The Structure And Function Of A Novel Two-Site Calcium- Binding Fragment Of Calmodulin" . . . . . 50.00 68 97.22 100.00 3.18e-15 . . . . 11440 1 18 no PDB 2K3S . "Haddock-Derived Structure Of The Ch-Domain Of The Smoothelin-Like 1 Complexed With The C-Domain Of Apocalmodulin" . . . . . 93.06 67 97.01 100.00 7.76e-38 . . . . 11440 1 19 no PDB 2KUH . "Halothane Binds To Druggable Sites In Calcium-calmodulin: Solution Structure Of Halothane-cam C-terminal Domain" . . . . . 93.06 67 97.01 100.00 7.76e-38 . . . . 11440 1 20 no PDB 2LLQ . "Solution Nmr-derived Structure Of Calmodulin C-lobe Bound With Er Alpha Peptide" . . . . . 93.06 67 97.01 100.00 7.76e-38 . . . . 11440 1 21 no PDB 2LQP . "Nmr Solution Structure Of The Ca2+-Calmodulin C-Terminal Domain In A Complex With A Peptide (Nscate) From The L-Type Voltage-Ga" . . . . . 98.61 71 97.18 100.00 1.29e-40 . . . . 11440 1 22 no PDB 2RRT . "Solution Structure Of Magnesium-Bound Form Of Calmodulin C-Domain E104dE140D MUTANT" . . . . . 100.00 72 100.00 100.00 1.69e-42 . . . . 11440 1 23 no PDB 4RJD . "Tfp Bound In Alternate Orientations To Calcium-saturated Calmodulin C- Domains" . . . . . 91.67 66 96.97 100.00 5.23e-37 . . . . 11440 1 24 no DBJ BAF45809 . "calmodulin, partial [Thunnus thynnus]" . . . . . 79.17 66 98.25 100.00 4.25e-30 . . . . 11440 1 25 no DBJ BAI66111 . "calmodulin [Oryzias latipes]" . . . . . 54.17 56 97.44 100.00 1.58e-17 . . . . 11440 1 26 no DBJ BAI66112 . "calmodulin [Oryzias latipes]" . . . . . 54.17 56 97.44 100.00 1.58e-17 . . . . 11440 1 27 no DBJ BAI66113 . "calmodulin [Oryzias latipes]" . . . . . 54.17 56 97.44 100.00 1.58e-17 . . . . 11440 1 28 no DBJ BAI66114 . "calmodulin [Oryzias latipes]" . . . . . 54.17 56 97.44 100.00 1.58e-17 . . . . 11440 1 29 no GB AAH10730 . "Calm2 protein, partial [Mus musculus]" . . . . . 98.61 97 97.18 100.00 2.56e-40 . . . . 11440 1 30 no GB AAO17827 . "calmodulin, partial [Paralichthys olivaceus]" . . . . . 90.28 65 96.92 100.00 1.27e-36 . . . . 11440 1 31 no GB AAQ14324 . "calmodulin 1, partial [Sus scrofa]" . . . . . 98.61 77 97.18 100.00 9.62e-41 . . . . 11440 1 32 no GB AAX61134 . "calmodulin [Oreochromis mossambicus]" . . . . . 59.72 43 97.67 100.00 3.20e-20 . . . . 11440 1 33 no GB AAY87961 . "calmodulin [Prochilodus rubrotaeniatus]" . . . . . 50.00 41 97.22 100.00 1.52e-15 . . . . 11440 1 34 no REF XP_007442524 . "PREDICTED: calmodulin-like [Python bivittatus]" . . . . . 98.61 136 97.18 100.00 6.52e-40 . . . . 11440 1 35 no REF XP_010190430 . "PREDICTED: calmodulin-like, partial [Mesitornis unicolor]" . . . . . 98.61 89 97.18 100.00 1.63e-40 . . . . 11440 1 36 no REF XP_011906627 . "PREDICTED: calmodulin-like [Cercocebus atys]" . . . . . 86.11 90 98.39 100.00 2.28e-34 . . . . 11440 1 37 no REF XP_014456117 . "PREDICTED: calmodulin, partial [Alligator mississippiensis]" . . . . . 98.61 89 97.18 100.00 1.63e-40 . . . . 11440 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 . MET . 11440 1 2 . ASP . 11440 1 3 . THR . 11440 1 4 . ASP . 11440 1 5 . SER . 11440 1 6 . GLU . 11440 1 7 . GLU . 11440 1 8 . GLU . 11440 1 9 . ILE . 11440 1 10 . ARG . 11440 1 11 . GLU . 11440 1 12 . ALA . 11440 1 13 . PHE . 11440 1 14 . ARG . 11440 1 15 . VAL . 11440 1 16 . PHE . 11440 1 17 . ASP . 11440 1 18 . LYS . 11440 1 19 . ASP . 11440 1 20 . GLY . 11440 1 21 . ASN . 11440 1 22 . GLY . 11440 1 23 . TYR . 11440 1 24 . ILE . 11440 1 25 . SER . 11440 1 26 . ALA . 11440 1 27 . ALA . 11440 1 28 . ASP . 11440 1 29 . LEU . 11440 1 30 . ARG . 11440 1 31 . HIS . 11440 1 32 . VAL . 11440 1 33 . MET . 11440 1 34 . THR . 11440 1 35 . ASN . 11440 1 36 . LEU . 11440 1 37 . GLY . 11440 1 38 . GLU . 11440 1 39 . LYS . 11440 1 40 . LEU . 11440 1 41 . THR . 11440 1 42 . ASP . 11440 1 43 . GLU . 11440 1 44 . GLU . 11440 1 45 . VAL . 11440 1 46 . ASP . 11440 1 47 . GLU . 11440 1 48 . MET . 11440 1 49 . ILE . 11440 1 50 . ARG . 11440 1 51 . GLU . 11440 1 52 . ALA . 11440 1 53 . ASP . 11440 1 54 . ILE . 11440 1 55 . ASP . 11440 1 56 . GLY . 11440 1 57 . ASP . 11440 1 58 . GLY . 11440 1 59 . GLN . 11440 1 60 . VAL . 11440 1 61 . ASN . 11440 1 62 . TYR . 11440 1 63 . GLU . 11440 1 64 . ASP . 11440 1 65 . PHE . 11440 1 66 . VAL . 11440 1 67 . GLN . 11440 1 68 . MET . 11440 1 69 . MET . 11440 1 70 . THR . 11440 1 71 . ALA . 11440 1 72 . LYS . 11440 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 . MET 1 1 11440 1 . ASP 2 2 11440 1 . THR 3 3 11440 1 . ASP 4 4 11440 1 . SER 5 5 11440 1 . GLU 6 6 11440 1 . GLU 7 7 11440 1 . GLU 8 8 11440 1 . ILE 9 9 11440 1 . ARG 10 10 11440 1 . GLU 11 11 11440 1 . ALA 12 12 11440 1 . PHE 13 13 11440 1 . ARG 14 14 11440 1 . VAL 15 15 11440 1 . PHE 16 16 11440 1 . ASP 17 17 11440 1 . LYS 18 18 11440 1 . ASP 19 19 11440 1 . GLY 20 20 11440 1 . ASN 21 21 11440 1 . GLY 22 22 11440 1 . TYR 23 23 11440 1 . ILE 24 24 11440 1 . SER 25 25 11440 1 . ALA 26 26 11440 1 . ALA 27 27 11440 1 . ASP 28 28 11440 1 . LEU 29 29 11440 1 . ARG 30 30 11440 1 . HIS 31 31 11440 1 . VAL 32 32 11440 1 . MET 33 33 11440 1 . THR 34 34 11440 1 . ASN 35 35 11440 1 . LEU 36 36 11440 1 . GLY 37 37 11440 1 . GLU 38 38 11440 1 . LYS 39 39 11440 1 . LEU 40 40 11440 1 . THR 41 41 11440 1 . ASP 42 42 11440 1 . GLU 43 43 11440 1 . GLU 44 44 11440 1 . VAL 45 45 11440 1 . ASP 46 46 11440 1 . GLU 47 47 11440 1 . MET 48 48 11440 1 . ILE 49 49 11440 1 . ARG 50 50 11440 1 . GLU 51 51 11440 1 . ALA 52 52 11440 1 . ASP 53 53 11440 1 . ILE 54 54 11440 1 . ASP 55 55 11440 1 . GLY 56 56 11440 1 . ASP 57 57 11440 1 . GLY 58 58 11440 1 . GLN 59 59 11440 1 . VAL 60 60 11440 1 . ASN 61 61 11440 1 . TYR 62 62 11440 1 . GLU 63 63 11440 1 . ASP 64 64 11440 1 . PHE 65 65 11440 1 . VAL 66 66 11440 1 . GLN 67 67 11440 1 . MET 68 68 11440 1 . MET 69 69 11440 1 . THR 70 70 11440 1 . ALA 71 71 11440 1 . LYS 72 72 11440 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 11440 _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 $entity . 8355 organism . 'Xenopus laevis' 'African clawed frog' . . Eukaryota Metazoa Xenopus laevis . . . . . . . . . . . . . . . . . . . . . 11440 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 11440 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-11a . . . . . . 11440 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11440 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES [U-2H] . . 1 $entity . . 10 . . mM . . . . 11440 1 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11440 1 3 'magnesium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11440 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11440 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 11440 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11440 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.5 . M 11440 1 pH 6.5 . pH 11440 1 pressure 1 . atm 11440 1 temperature 273 . K 11440 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11440 _Software.ID 1 _Software.Name CYANA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11440 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11440 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11440 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11440 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11440 2 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11440 _Software.ID 3 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11440 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11440 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11440 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11440 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11440 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11440 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11440 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11440 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11440 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11440 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 11440 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11440 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 11 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 13 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 14 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11440 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11440 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1.000000000 . . . . . . . . . 11440 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11440 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 11440 1 2 '3D 1H-13C NOESY' . . . 11440 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 MET HA H 1 4.256 0.02 . 1 . . . A 1 MET HA . 11440 1 2 . 1 1 1 1 MET HB2 H 1 2.322 0.02 . 2 . . . A 1 MET HB2 . 11440 1 3 . 1 1 1 1 MET HB3 H 1 2.322 0.02 . 2 . . . A 1 MET HB3 . 11440 1 4 . 1 1 1 1 MET HG2 H 1 2.78 0.02 . 2 . . . A 1 MET HG2 . 11440 1 5 . 1 1 1 1 MET HG3 H 1 2.78 0.02 . 2 . . . A 1 MET HG3 . 11440 1 6 . 1 1 1 1 MET CA C 13 55.024 0.3 . 1 . . . A 1 MET CA . 11440 1 7 . 1 1 1 1 MET CB C 13 33.1102 0.3 . 1 . . . A 1 MET CB . 11440 1 8 . 1 1 1 1 MET CG C 13 30.6422 0.3 . 1 . . . A 1 MET CG . 11440 1 9 . 1 1 2 2 ASP HA H 1 4.95 0.02 . 1 . . . A 2 ASP HA . 11440 1 10 . 1 1 2 2 ASP HB2 H 1 2.911 0.02 . 2 . . . A 2 ASP HB2 . 11440 1 11 . 1 1 2 2 ASP HB3 H 1 2.967 0.02 . 2 . . . A 2 ASP HB3 . 11440 1 12 . 1 1 2 2 ASP C C 13 176.089 0.3 . 1 . . . A 2 ASP C . 11440 1 13 . 1 1 2 2 ASP CA C 13 53.951 0.3 . 1 . . . A 2 ASP CA . 11440 1 14 . 1 1 2 2 ASP CB C 13 41.0352 0.3 . 1 . . . A 2 ASP CB . 11440 1 15 . 1 1 3 3 THR H H 1 8.349 0.02 . 1 . . . A 3 THR H . 11440 1 16 . 1 1 3 3 THR HA H 1 4.448 0.02 . 1 . . . A 3 THR HA . 11440 1 17 . 1 1 3 3 THR HB H 1 4.447 0.02 . 1 . . . A 3 THR HB . 11440 1 18 . 1 1 3 3 THR HG21 H 1 1.404 0.02 . 1 . . . A 3 THR HG21 . 11440 1 19 . 1 1 3 3 THR HG22 H 1 1.404 0.02 . 1 . . . A 3 THR HG22 . 11440 1 20 . 1 1 3 3 THR HG23 H 1 1.404 0.02 . 1 . . . A 3 THR HG23 . 11440 1 21 . 1 1 3 3 THR C C 13 174.73 0.3 . 1 . . . A 3 THR C . 11440 1 22 . 1 1 3 3 THR CA C 13 62.351 0.3 . 1 . . . A 3 THR CA . 11440 1 23 . 1 1 3 3 THR CB C 13 68.856 0.3 . 1 . . . A 3 THR CB . 11440 1 24 . 1 1 3 3 THR CG2 C 13 21.2312 0.3 . 1 . . . A 3 THR CG2 . 11440 1 25 . 1 1 3 3 THR N N 15 113.974 0.4 . 1 . . . A 3 THR N . 11440 1 26 . 1 1 4 4 ASP H H 1 8.484 0.02 . 1 . . . A 4 ASP H . 11440 1 27 . 1 1 4 4 ASP HA H 1 4.831 0.02 . 1 . . . A 4 ASP HA . 11440 1 28 . 1 1 4 4 ASP HB2 H 1 2.91 0.02 . 2 . . . A 4 ASP HB2 . 11440 1 29 . 1 1 4 4 ASP HB3 H 1 2.91 0.02 . 2 . . . A 4 ASP HB3 . 11440 1 30 . 1 1 4 4 ASP C C 13 177.069 0.3 . 1 . . . A 4 ASP C . 11440 1 31 . 1 1 4 4 ASP CA C 13 54.748 0.3 . 1 . . . A 4 ASP CA . 11440 1 32 . 1 1 4 4 ASP CB C 13 40.4812 0.3 . 1 . . . A 4 ASP CB . 11440 1 33 . 1 1 4 4 ASP N N 15 121.821 0.4 . 1 . . . A 4 ASP N . 11440 1 34 . 1 1 5 5 SER H H 1 8.278 0.02 . 1 . . . A 5 SER H . 11440 1 35 . 1 1 5 5 SER HA H 1 4.664 0.02 . 1 . . . A 5 SER HA . 11440 1 36 . 1 1 5 5 SER HB2 H 1 4.179 0.02 . 2 . . . A 5 SER HB2 . 11440 1 37 . 1 1 5 5 SER HB3 H 1 4.134 0.02 . 2 . . . A 5 SER HB3 . 11440 1 38 . 1 1 5 5 SER C C 13 175.307 0.3 . 1 . . . A 5 SER C . 11440 1 39 . 1 1 5 5 SER CA C 13 58.859 0.3 . 1 . . . A 5 SER CA . 11440 1 40 . 1 1 5 5 SER CB C 13 63.202 0.3 . 1 . . . A 5 SER CB . 11440 1 41 . 1 1 5 5 SER N N 15 116.002 0.4 . 1 . . . A 5 SER N . 11440 1 42 . 1 1 6 6 GLU H H 1 8.574 0.02 . 1 . . . A 6 GLU H . 11440 1 43 . 1 1 6 6 GLU HA H 1 4.155 0.02 . 1 . . . A 6 GLU HA . 11440 1 44 . 1 1 6 6 GLU HB2 H 1 2.264 0.02 . 2 . . . A 6 GLU HB2 . 11440 1 45 . 1 1 6 6 GLU HB3 H 1 2.264 0.02 . 2 . . . A 6 GLU HB3 . 11440 1 46 . 1 1 6 6 GLU HG2 H 1 2.425 0.02 . 2 . . . A 6 GLU HG2 . 11440 1 47 . 1 1 6 6 GLU HG3 H 1 2.506 0.02 . 2 . . . A 6 GLU HG3 . 11440 1 48 . 1 1 6 6 GLU C C 13 177.796 0.3 . 1 . . . A 6 GLU C . 11440 1 49 . 1 1 6 6 GLU CA C 13 59.106 0.3 . 1 . . . A 6 GLU CA . 11440 1 50 . 1 1 6 6 GLU CB C 13 29.2242 0.3 . 1 . . . A 6 GLU CB . 11440 1 51 . 1 1 6 6 GLU CG C 13 36.0722 0.3 . 1 . . . A 6 GLU CG . 11440 1 52 . 1 1 6 6 GLU N N 15 122.576 0.4 . 1 . . . A 6 GLU N . 11440 1 53 . 1 1 7 7 GLU H H 1 8.382 0.02 . 1 . . . A 7 GLU H . 11440 1 54 . 1 1 7 7 GLU HA H 1 4.224 0.02 . 1 . . . A 7 GLU HA . 11440 1 55 . 1 1 7 7 GLU HB2 H 1 2.26 0.02 . 2 . . . A 7 GLU HB2 . 11440 1 56 . 1 1 7 7 GLU HB3 H 1 2.26 0.02 . 2 . . . A 7 GLU HB3 . 11440 1 57 . 1 1 7 7 GLU HG2 H 1 2.528 0.02 . 2 . . . A 7 GLU HG2 . 11440 1 58 . 1 1 7 7 GLU HG3 H 1 2.528 0.02 . 2 . . . A 7 GLU HG3 . 11440 1 59 . 1 1 7 7 GLU C C 13 178.421 0.3 . 1 . . . A 7 GLU C . 11440 1 60 . 1 1 7 7 GLU CA C 13 58.995 0.3 . 1 . . . A 7 GLU CA . 11440 1 61 . 1 1 7 7 GLU CB C 13 28.8562 0.3 . 1 . . . A 7 GLU CB . 11440 1 62 . 1 1 7 7 GLU CG C 13 35.7612 0.3 . 1 . . . A 7 GLU CG . 11440 1 63 . 1 1 7 7 GLU N N 15 118.536 0.4 . 1 . . . A 7 GLU N . 11440 1 64 . 1 1 8 8 GLU H H 1 8.062 0.02 . 1 . . . A 8 GLU H . 11440 1 65 . 1 1 8 8 GLU HA H 1 4.278 0.02 . 1 . . . A 8 GLU HA . 11440 1 66 . 1 1 8 8 GLU HB2 H 1 2.273 0.02 . 2 . . . A 8 GLU HB2 . 11440 1 67 . 1 1 8 8 GLU HB3 H 1 2.318 0.02 . 2 . . . A 8 GLU HB3 . 11440 1 68 . 1 1 8 8 GLU HG2 H 1 2.534 0.02 . 2 . . . A 8 GLU HG2 . 11440 1 69 . 1 1 8 8 GLU HG3 H 1 2.534 0.02 . 2 . . . A 8 GLU HG3 . 11440 1 70 . 1 1 8 8 GLU C C 13 179.409 0.3 . 1 . . . A 8 GLU C . 11440 1 71 . 1 1 8 8 GLU CA C 13 58.992 0.3 . 1 . . . A 8 GLU CA . 11440 1 72 . 1 1 8 8 GLU CB C 13 28.7802 0.3 . 1 . . . A 8 GLU CB . 11440 1 73 . 1 1 8 8 GLU CG C 13 35.9942 0.3 . 1 . . . A 8 GLU CG . 11440 1 74 . 1 1 8 8 GLU N N 15 118.461 0.4 . 1 . . . A 8 GLU N . 11440 1 75 . 1 1 9 9 ILE H H 1 8.054 0.02 . 1 . . . A 9 ILE H . 11440 1 76 . 1 1 9 9 ILE HA H 1 3.993 0.02 . 1 . . . A 9 ILE HA . 11440 1 77 . 1 1 9 9 ILE HB H 1 2.207 0.02 . 1 . . . A 9 ILE HB . 11440 1 78 . 1 1 9 9 ILE HG12 H 1 1.944 0.02 . 2 . . . A 9 ILE HG12 . 11440 1 79 . 1 1 9 9 ILE HG13 H 1 1.27 0.02 . 2 . . . A 9 ILE HG13 . 11440 1 80 . 1 1 9 9 ILE HG21 H 1 1.168 0.02 . 1 . . . A 9 ILE HG21 . 11440 1 81 . 1 1 9 9 ILE HG22 H 1 1.168 0.02 . 1 . . . A 9 ILE HG22 . 11440 1 82 . 1 1 9 9 ILE HG23 H 1 1.168 0.02 . 1 . . . A 9 ILE HG23 . 11440 1 83 . 1 1 9 9 ILE HD11 H 1 0.951 0.02 . 1 . . . A 9 ILE HD11 . 11440 1 84 . 1 1 9 9 ILE HD12 H 1 0.951 0.02 . 1 . . . A 9 ILE HD12 . 11440 1 85 . 1 1 9 9 ILE HD13 H 1 0.951 0.02 . 1 . . . A 9 ILE HD13 . 11440 1 86 . 1 1 9 9 ILE C C 13 177.156 0.3 . 1 . . . A 9 ILE C . 11440 1 87 . 1 1 9 9 ILE CA C 13 64.388 0.3 . 1 . . . A 9 ILE CA . 11440 1 88 . 1 1 9 9 ILE CB C 13 37.2312 0.3 . 1 . . . A 9 ILE CB . 11440 1 89 . 1 1 9 9 ILE CG1 C 13 28.4612 0.3 . 1 . . . A 9 ILE CG1 . 11440 1 90 . 1 1 9 9 ILE CG2 C 13 18.1062 0.3 . 1 . . . A 9 ILE CG2 . 11440 1 91 . 1 1 9 9 ILE CD1 C 13 13.1064 0.3 . 1 . . . A 9 ILE CD1 . 11440 1 92 . 1 1 9 9 ILE N N 15 119.731 0.4 . 1 . . . A 9 ILE N . 11440 1 93 . 1 1 10 10 ARG H H 1 8.447 0.02 . 1 . . . A 10 ARG H . 11440 1 94 . 1 1 10 10 ARG HA H 1 4.139 0.02 . 1 . . . A 10 ARG HA . 11440 1 95 . 1 1 10 10 ARG HB2 H 1 2.194 0.02 . 2 . . . A 10 ARG HB2 . 11440 1 96 . 1 1 10 10 ARG HB3 H 1 2.126 0.02 . 2 . . . A 10 ARG HB3 . 11440 1 97 . 1 1 10 10 ARG HG2 H 1 1.772 0.02 . 2 . . . A 10 ARG HG2 . 11440 1 98 . 1 1 10 10 ARG HG3 H 1 1.675 0.02 . 2 . . . A 10 ARG HG3 . 11440 1 99 . 1 1 10 10 ARG HD2 H 1 3.317 0.02 . 2 . . . A 10 ARG HD2 . 11440 1 100 . 1 1 10 10 ARG HD3 H 1 3.317 0.02 . 2 . . . A 10 ARG HD3 . 11440 1 101 . 1 1 10 10 ARG C C 13 178.897 0.3 . 1 . . . A 10 ARG C . 11440 1 102 . 1 1 10 10 ARG CA C 13 60.034 0.3 . 1 . . . A 10 ARG CA . 11440 1 103 . 1 1 10 10 ARG CB C 13 29.6062 0.3 . 1 . . . A 10 ARG CB . 11440 1 104 . 1 1 10 10 ARG CG C 13 27.7042 0.3 . 1 . . . A 10 ARG CG . 11440 1 105 . 1 1 10 10 ARG CD C 13 43.0032 0.3 . 1 . . . A 10 ARG CD . 11440 1 106 . 1 1 10 10 ARG N N 15 120.055 0.4 . 1 . . . A 10 ARG N . 11440 1 107 . 1 1 11 11 GLU H H 1 8.265 0.02 . 1 . . . A 11 GLU H . 11440 1 108 . 1 1 11 11 GLU HA H 1 4.235 0.02 . 1 . . . A 11 GLU HA . 11440 1 109 . 1 1 11 11 GLU HB2 H 1 2.261 0.02 . 2 . . . A 11 GLU HB2 . 11440 1 110 . 1 1 11 11 GLU HB3 H 1 2.261 0.02 . 2 . . . A 11 GLU HB3 . 11440 1 111 . 1 1 11 11 GLU HG2 H 1 2.547 0.02 . 2 . . . A 11 GLU HG2 . 11440 1 112 . 1 1 11 11 GLU HG3 H 1 2.547 0.02 . 2 . . . A 11 GLU HG3 . 11440 1 113 . 1 1 11 11 GLU C C 13 178.147 0.3 . 1 . . . A 11 GLU C . 11440 1 114 . 1 1 11 11 GLU CA C 13 58.506 0.3 . 1 . . . A 11 GLU CA . 11440 1 115 . 1 1 11 11 GLU CB C 13 28.9792 0.3 . 1 . . . A 11 GLU CB . 11440 1 116 . 1 1 11 11 GLU CG C 13 35.5282 0.3 . 1 . . . A 11 GLU CG . 11440 1 117 . 1 1 11 11 GLU N N 15 117.339 0.4 . 1 . . . A 11 GLU N . 11440 1 118 . 1 1 12 12 ALA H H 1 7.894 0.02 . 1 . . . A 12 ALA H . 11440 1 119 . 1 1 12 12 ALA HA H 1 4.365 0.02 . 1 . . . A 12 ALA HA . 11440 1 120 . 1 1 12 12 ALA HB1 H 1 1.747 0.02 . 1 . . . A 12 ALA HB1 . 11440 1 121 . 1 1 12 12 ALA HB2 H 1 1.747 0.02 . 1 . . . A 12 ALA HB2 . 11440 1 122 . 1 1 12 12 ALA HB3 H 1 1.747 0.02 . 1 . . . A 12 ALA HB3 . 11440 1 123 . 1 1 12 12 ALA C C 13 179.269 0.3 . 1 . . . A 12 ALA C . 11440 1 124 . 1 1 12 12 ALA CA C 13 54.356 0.3 . 1 . . . A 12 ALA CA . 11440 1 125 . 1 1 12 12 ALA CB C 13 17.9812 0.3 . 1 . . . A 12 ALA CB . 11440 1 126 . 1 1 12 12 ALA N N 15 120.961 0.4 . 1 . . . A 12 ALA N . 11440 1 127 . 1 1 13 13 PHE H H 1 8.139 0.02 . 1 . . . A 13 PHE H . 11440 1 128 . 1 1 13 13 PHE HA H 1 4.161 0.02 . 1 . . . A 13 PHE HA . 11440 1 129 . 1 1 13 13 PHE HB2 H 1 3.098 0.02 . 2 . . . A 13 PHE HB2 . 11440 1 130 . 1 1 13 13 PHE HB3 H 1 3.098 0.02 . 2 . . . A 13 PHE HB3 . 11440 1 131 . 1 1 13 13 PHE HD1 H 1 7.09 0.02 . 3 . . . A 13 PHE HD1 . 11440 1 132 . 1 1 13 13 PHE HD2 H 1 7.09 0.02 . 3 . . . A 13 PHE HD2 . 11440 1 133 . 1 1 13 13 PHE HE1 H 1 7.13 0.02 . 3 . . . A 13 PHE HE1 . 11440 1 134 . 1 1 13 13 PHE HE2 H 1 7.13 0.02 . 3 . . . A 13 PHE HE2 . 11440 1 135 . 1 1 13 13 PHE HZ H 1 7.255 0.02 . 1 . . . A 13 PHE HZ . 11440 1 136 . 1 1 13 13 PHE C C 13 177.325 0.3 . 1 . . . A 13 PHE C . 11440 1 137 . 1 1 13 13 PHE CA C 13 60.594 0.3 . 1 . . . A 13 PHE CA . 11440 1 138 . 1 1 13 13 PHE CB C 13 39.3562 0.3 . 1 . . . A 13 PHE CB . 11440 1 139 . 1 1 13 13 PHE CD1 C 13 131.3556 0.3 . 3 . . . A 13 PHE CD1 . 11440 1 140 . 1 1 13 13 PHE CD2 C 13 131.3556 0.3 . 3 . . . A 13 PHE CD2 . 11440 1 141 . 1 1 13 13 PHE CE1 C 13 130.9726 0.3 . 3 . . . A 13 PHE CE1 . 11440 1 142 . 1 1 13 13 PHE CE2 C 13 130.9726 0.3 . 3 . . . A 13 PHE CE2 . 11440 1 143 . 1 1 13 13 PHE CZ C 13 129.6336 0.3 . 1 . . . A 13 PHE CZ . 11440 1 144 . 1 1 13 13 PHE N N 15 115.578 0.4 . 1 . . . A 13 PHE N . 11440 1 145 . 1 1 14 14 ARG H H 1 8.24 0.02 . 1 . . . A 14 ARG H . 11440 1 146 . 1 1 14 14 ARG HA H 1 4.116 0.02 . 1 . . . A 14 ARG HA . 11440 1 147 . 1 1 14 14 ARG HB2 H 1 2.138 0.02 . 2 . . . A 14 ARG HB2 . 11440 1 148 . 1 1 14 14 ARG HB3 H 1 2.138 0.02 . 2 . . . A 14 ARG HB3 . 11440 1 149 . 1 1 14 14 ARG HG2 H 1 1.907 0.02 . 2 . . . A 14 ARG HG2 . 11440 1 150 . 1 1 14 14 ARG HG3 H 1 2.033 0.02 . 2 . . . A 14 ARG HG3 . 11440 1 151 . 1 1 14 14 ARG HD2 H 1 3.38 0.02 . 2 . . . A 14 ARG HD2 . 11440 1 152 . 1 1 14 14 ARG HD3 H 1 3.38 0.02 . 2 . . . A 14 ARG HD3 . 11440 1 153 . 1 1 14 14 ARG C C 13 178.536 0.3 . 1 . . . A 14 ARG C . 11440 1 154 . 1 1 14 14 ARG CA C 13 58.871 0.3 . 1 . . . A 14 ARG CA . 11440 1 155 . 1 1 14 14 ARG CB C 13 29.7192 0.3 . 1 . . . A 14 ARG CB . 11440 1 156 . 1 1 14 14 ARG CG C 13 27.0282 0.3 . 1 . . . A 14 ARG CG . 11440 1 157 . 1 1 14 14 ARG CD C 13 43.2952 0.3 . 1 . . . A 14 ARG CD . 11440 1 158 . 1 1 14 14 ARG N N 15 116.594 0.4 . 1 . . . A 14 ARG N . 11440 1 159 . 1 1 15 15 VAL H H 1 7.58 0.02 . 1 . . . A 15 VAL H . 11440 1 160 . 1 1 15 15 VAL HA H 1 3.733 0.02 . 1 . . . A 15 VAL HA . 11440 1 161 . 1 1 15 15 VAL HB H 1 2.054 0.02 . 1 . . . A 15 VAL HB . 11440 1 162 . 1 1 15 15 VAL HG11 H 1 1.079 0.02 . 2 . . . A 15 VAL HG11 . 11440 1 163 . 1 1 15 15 VAL HG12 H 1 1.079 0.02 . 2 . . . A 15 VAL HG12 . 11440 1 164 . 1 1 15 15 VAL HG13 H 1 1.079 0.02 . 2 . . . A 15 VAL HG13 . 11440 1 165 . 1 1 15 15 VAL HG21 H 1 0.62 0.02 . 2 . . . A 15 VAL HG21 . 11440 1 166 . 1 1 15 15 VAL HG22 H 1 0.62 0.02 . 2 . . . A 15 VAL HG22 . 11440 1 167 . 1 1 15 15 VAL HG23 H 1 0.62 0.02 . 2 . . . A 15 VAL HG23 . 11440 1 168 . 1 1 15 15 VAL C C 13 176.846 0.3 . 1 . . . A 15 VAL C . 11440 1 169 . 1 1 15 15 VAL CA C 13 64.871 0.3 . 1 . . . A 15 VAL CA . 11440 1 170 . 1 1 15 15 VAL CB C 13 31.1422 0.3 . 1 . . . A 15 VAL CB . 11440 1 171 . 1 1 15 15 VAL CG1 C 13 21.4062 0.3 . 2 . . . A 15 VAL CG1 . 11440 1 172 . 1 1 15 15 VAL CG2 C 13 20.2782 0.3 . 2 . . . A 15 VAL CG2 . 11440 1 173 . 1 1 15 15 VAL N N 15 116.492 0.4 . 1 . . . A 15 VAL N . 11440 1 174 . 1 1 16 16 PHE H H 1 7.42 0.02 . 1 . . . A 16 PHE H . 11440 1 175 . 1 1 16 16 PHE HA H 1 4.545 0.02 . 1 . . . A 16 PHE HA . 11440 1 176 . 1 1 16 16 PHE HB2 H 1 3.452 0.02 . 2 . . . A 16 PHE HB2 . 11440 1 177 . 1 1 16 16 PHE HB3 H 1 2.777 0.02 . 2 . . . A 16 PHE HB3 . 11440 1 178 . 1 1 16 16 PHE HD1 H 1 7.432 0.02 . 3 . . . A 16 PHE HD1 . 11440 1 179 . 1 1 16 16 PHE HD2 H 1 7.432 0.02 . 3 . . . A 16 PHE HD2 . 11440 1 180 . 1 1 16 16 PHE HE1 H 1 7.386 0.02 . 3 . . . A 16 PHE HE1 . 11440 1 181 . 1 1 16 16 PHE HE2 H 1 7.386 0.02 . 3 . . . A 16 PHE HE2 . 11440 1 182 . 1 1 16 16 PHE HZ H 1 7.262 0.02 . 1 . . . A 16 PHE HZ . 11440 1 183 . 1 1 16 16 PHE C C 13 175.774 0.3 . 1 . . . A 16 PHE C . 11440 1 184 . 1 1 16 16 PHE CA C 13 59.121 0.3 . 1 . . . A 16 PHE CA . 11440 1 185 . 1 1 16 16 PHE CB C 13 39.2462 0.3 . 1 . . . A 16 PHE CB . 11440 1 186 . 1 1 16 16 PHE CD1 C 13 131.2526 0.3 . 3 . . . A 16 PHE CD1 . 11440 1 187 . 1 1 16 16 PHE CD2 C 13 131.2526 0.3 . 3 . . . A 16 PHE CD2 . 11440 1 188 . 1 1 16 16 PHE CE1 C 13 130.9206 0.3 . 3 . . . A 16 PHE CE1 . 11440 1 189 . 1 1 16 16 PHE CE2 C 13 130.9206 0.3 . 3 . . . A 16 PHE CE2 . 11440 1 190 . 1 1 16 16 PHE CZ C 13 129.1606 0.3 . 1 . . . A 16 PHE CZ . 11440 1 191 . 1 1 16 16 PHE N N 15 115.041 0.4 . 1 . . . A 16 PHE N . 11440 1 192 . 1 1 17 17 ASP H H 1 7.877 0.02 . 1 . . . A 17 ASP H . 11440 1 193 . 1 1 17 17 ASP HA H 1 5.526 0.02 . 1 . . . A 17 ASP HA . 11440 1 194 . 1 1 17 17 ASP HB2 H 1 3.126 0.02 . 2 . . . A 17 ASP HB2 . 11440 1 195 . 1 1 17 17 ASP HB3 H 1 2.37 0.02 . 2 . . . A 17 ASP HB3 . 11440 1 196 . 1 1 17 17 ASP C C 13 175.546 0.3 . 1 . . . A 17 ASP C . 11440 1 197 . 1 1 17 17 ASP CA C 13 51.871 0.3 . 1 . . . A 17 ASP CA . 11440 1 198 . 1 1 17 17 ASP CB C 13 39.4002 0.3 . 1 . . . A 17 ASP CB . 11440 1 199 . 1 1 17 17 ASP N N 15 121.836 0.4 . 1 . . . A 17 ASP N . 11440 1 200 . 1 1 18 18 LYS H H 1 8.125 0.02 . 1 . . . A 18 LYS H . 11440 1 201 . 1 1 18 18 LYS HA H 1 4.22 0.02 . 1 . . . A 18 LYS HA . 11440 1 202 . 1 1 18 18 LYS HB2 H 1 2.053 0.02 . 2 . . . A 18 LYS HB2 . 11440 1 203 . 1 1 18 18 LYS HB3 H 1 2.053 0.02 . 2 . . . A 18 LYS HB3 . 11440 1 204 . 1 1 18 18 LYS HG2 H 1 1.661 0.02 . 2 . . . A 18 LYS HG2 . 11440 1 205 . 1 1 18 18 LYS HG3 H 1 1.661 0.02 . 2 . . . A 18 LYS HG3 . 11440 1 206 . 1 1 18 18 LYS HD2 H 1 1.873 0.02 . 2 . . . A 18 LYS HD2 . 11440 1 207 . 1 1 18 18 LYS HD3 H 1 1.876 0.02 . 2 . . . A 18 LYS HD3 . 11440 1 208 . 1 1 18 18 LYS HE2 H 1 3.188 0.02 . 2 . . . A 18 LYS HE2 . 11440 1 209 . 1 1 18 18 LYS HE3 H 1 3.188 0.02 . 2 . . . A 18 LYS HE3 . 11440 1 210 . 1 1 18 18 LYS CA C 13 58.554 0.3 . 1 . . . A 18 LYS CA . 11440 1 211 . 1 1 18 18 LYS CB C 13 31.6632 0.3 . 1 . . . A 18 LYS CB . 11440 1 212 . 1 1 18 18 LYS CG C 13 24.6212 0.3 . 1 . . . A 18 LYS CG . 11440 1 213 . 1 1 18 18 LYS CD C 13 28.3702 0.3 . 1 . . . A 18 LYS CD . 11440 1 214 . 1 1 18 18 LYS CE C 13 41.7822 0.3 . 1 . . . A 18 LYS CE . 11440 1 215 . 1 1 18 18 LYS N N 15 123.134 0.4 . 1 . . . A 18 LYS N . 11440 1 216 . 1 1 19 19 ASP HA H 1 4.785 0.02 . 1 . . . A 19 ASP HA . 11440 1 217 . 1 1 19 19 ASP HB2 H 1 3.112 0.02 . 2 . . . A 19 ASP HB2 . 11440 1 218 . 1 1 19 19 ASP HB3 H 1 2.901 0.02 . 2 . . . A 19 ASP HB3 . 11440 1 219 . 1 1 19 19 ASP CB C 13 39.1212 0.3 . 1 . . . A 19 ASP CB . 11440 1 220 . 1 1 20 20 GLY H H 1 8.039 0.02 . 1 . . . A 20 GLY H . 11440 1 221 . 1 1 20 20 GLY HA2 H 1 4.023 0.02 . 2 . . . A 20 GLY HA2 . 11440 1 222 . 1 1 20 20 GLY HA3 H 1 4.075 0.02 . 2 . . . A 20 GLY HA3 . 11440 1 223 . 1 1 20 20 GLY CA C 13 46.9 0.3 . 1 . . . A 20 GLY CA . 11440 1 224 . 1 1 20 20 GLY N N 15 108.379 0.4 . 1 . . . A 20 GLY N . 11440 1 225 . 1 1 21 21 ASN H H 1 8.335 0.02 . 1 . . . A 21 ASN H . 11440 1 226 . 1 1 21 21 ASN HA H 1 4.77 0.02 . 1 . . . A 21 ASN HA . 11440 1 227 . 1 1 21 21 ASN HB2 H 1 3.13 0.02 . 2 . . . A 21 ASN HB2 . 11440 1 228 . 1 1 21 21 ASN HB3 H 1 2.694 0.02 . 2 . . . A 21 ASN HB3 . 11440 1 229 . 1 1 21 21 ASN CA C 13 52.99 0.3 . 1 . . . A 21 ASN CA . 11440 1 230 . 1 1 21 21 ASN CB C 13 40.6212 0.3 . 1 . . . A 21 ASN CB . 11440 1 231 . 1 1 21 21 ASN N N 15 118.461 0.4 . 1 . . . A 21 ASN N . 11440 1 232 . 1 1 22 22 GLY HA2 H 1 4.384 0.02 . 2 . . . A 22 GLY HA2 . 11440 1 233 . 1 1 22 22 GLY HA3 H 1 3.69 0.02 . 2 . . . A 22 GLY HA3 . 11440 1 234 . 1 1 22 22 GLY CA C 13 45.2232 0.3 . 1 . . . A 22 GLY CA . 11440 1 235 . 1 1 23 23 TYR H H 1 7.928 0.02 . 1 . . . A 23 TYR H . 11440 1 236 . 1 1 23 23 TYR HA H 1 5.765 0.02 . 1 . . . A 23 TYR HA . 11440 1 237 . 1 1 23 23 TYR HB2 H 1 2.968 0.02 . 2 . . . A 23 TYR HB2 . 11440 1 238 . 1 1 23 23 TYR HB3 H 1 2.968 0.02 . 2 . . . A 23 TYR HB3 . 11440 1 239 . 1 1 23 23 TYR HD1 H 1 7.021 0.02 . 3 . . . A 23 TYR HD1 . 11440 1 240 . 1 1 23 23 TYR HD2 H 1 7.021 0.02 . 3 . . . A 23 TYR HD2 . 11440 1 241 . 1 1 23 23 TYR HE1 H 1 7.092 0.02 . 3 . . . A 23 TYR HE1 . 11440 1 242 . 1 1 23 23 TYR HE2 H 1 7.092 0.02 . 3 . . . A 23 TYR HE2 . 11440 1 243 . 1 1 23 23 TYR CA C 13 55.996 0.3 . 1 . . . A 23 TYR CA . 11440 1 244 . 1 1 23 23 TYR CB C 13 41.1202 0.3 . 1 . . . A 23 TYR CB . 11440 1 245 . 1 1 23 23 TYR CD1 C 13 132.7306 0.3 . 3 . . . A 23 TYR CD1 . 11440 1 246 . 1 1 23 23 TYR CD2 C 13 132.7306 0.3 . 3 . . . A 23 TYR CD2 . 11440 1 247 . 1 1 23 23 TYR CE1 C 13 118.1056 0.3 . 3 . . . A 23 TYR CE1 . 11440 1 248 . 1 1 23 23 TYR CE2 C 13 118.1056 0.3 . 3 . . . A 23 TYR CE2 . 11440 1 249 . 1 1 23 23 TYR N N 15 116.586 0.4 . 1 . . . A 23 TYR N . 11440 1 250 . 1 1 24 24 ILE H H 1 9.198 0.02 . 1 . . . A 24 ILE H . 11440 1 251 . 1 1 24 24 ILE HA H 1 5.107 0.02 . 1 . . . A 24 ILE HA . 11440 1 252 . 1 1 24 24 ILE HB H 1 2.185 0.02 . 1 . . . A 24 ILE HB . 11440 1 253 . 1 1 24 24 ILE HG12 H 1 1.415 0.02 . 2 . . . A 24 ILE HG12 . 11440 1 254 . 1 1 24 24 ILE HG13 H 1 0.983 0.02 . 2 . . . A 24 ILE HG13 . 11440 1 255 . 1 1 24 24 ILE HG21 H 1 0.752 0.02 . 1 . . . A 24 ILE HG21 . 11440 1 256 . 1 1 24 24 ILE HG22 H 1 0.752 0.02 . 1 . . . A 24 ILE HG22 . 11440 1 257 . 1 1 24 24 ILE HG23 H 1 0.752 0.02 . 1 . . . A 24 ILE HG23 . 11440 1 258 . 1 1 24 24 ILE HD11 H 1 0.392 0.02 . 1 . . . A 24 ILE HD11 . 11440 1 259 . 1 1 24 24 ILE HD12 H 1 0.392 0.02 . 1 . . . A 24 ILE HD12 . 11440 1 260 . 1 1 24 24 ILE HD13 H 1 0.392 0.02 . 1 . . . A 24 ILE HD13 . 11440 1 261 . 1 1 24 24 ILE C C 13 174.251 0.3 . 1 . . . A 24 ILE C . 11440 1 262 . 1 1 24 24 ILE CA C 13 58.996 0.3 . 1 . . . A 24 ILE CA . 11440 1 263 . 1 1 24 24 ILE CB C 13 41.1062 0.3 . 1 . . . A 24 ILE CB . 11440 1 264 . 1 1 24 24 ILE CG1 C 13 24.1212 0.3 . 1 . . . A 24 ILE CG1 . 11440 1 265 . 1 1 24 24 ILE CG2 C 13 16.9962 0.3 . 1 . . . A 24 ILE CG2 . 11440 1 266 . 1 1 24 24 ILE CD1 C 13 13.1994 0.3 . 1 . . . A 24 ILE CD1 . 11440 1 267 . 1 1 24 24 ILE N N 15 117.096 0.4 . 1 . . . A 24 ILE N . 11440 1 268 . 1 1 25 25 SER H H 1 9.031 0.02 . 1 . . . A 25 SER H . 11440 1 269 . 1 1 25 25 SER HA H 1 4.984 0.02 . 1 . . . A 25 SER HA . 11440 1 270 . 1 1 25 25 SER HB2 H 1 4.435 0.02 . 2 . . . A 25 SER HB2 . 11440 1 271 . 1 1 25 25 SER HB3 H 1 4.21 0.02 . 2 . . . A 25 SER HB3 . 11440 1 272 . 1 1 25 25 SER C C 13 175.613 0.3 . 1 . . . A 25 SER C . 11440 1 273 . 1 1 25 25 SER CA C 13 57.246 0.3 . 1 . . . A 25 SER CA . 11440 1 274 . 1 1 25 25 SER CB C 13 64.371 0.3 . 1 . . . A 25 SER CB . 11440 1 275 . 1 1 25 25 SER N N 15 117.843 0.4 . 1 . . . A 25 SER N . 11440 1 276 . 1 1 26 26 ALA H H 1 8.727 0.02 . 1 . . . A 26 ALA H . 11440 1 277 . 1 1 26 26 ALA HA H 1 3.96 0.02 . 1 . . . A 26 ALA HA . 11440 1 278 . 1 1 26 26 ALA HB1 H 1 1.509 0.02 . 1 . . . A 26 ALA HB1 . 11440 1 279 . 1 1 26 26 ALA HB2 H 1 1.509 0.02 . 1 . . . A 26 ALA HB2 . 11440 1 280 . 1 1 26 26 ALA HB3 H 1 1.509 0.02 . 1 . . . A 26 ALA HB3 . 11440 1 281 . 1 1 26 26 ALA C C 13 178.713 0.3 . 1 . . . A 26 ALA C . 11440 1 282 . 1 1 26 26 ALA CA C 13 54.871 0.3 . 1 . . . A 26 ALA CA . 11440 1 283 . 1 1 26 26 ALA CB C 13 17.6212 0.3 . 1 . . . A 26 ALA CB . 11440 1 284 . 1 1 26 26 ALA N N 15 125.211 0.4 . 1 . . . A 26 ALA N . 11440 1 285 . 1 1 27 27 ALA H H 1 8.196 0.02 . 1 . . . A 27 ALA H . 11440 1 286 . 1 1 27 27 ALA HA H 1 4.152 0.02 . 1 . . . A 27 ALA HA . 11440 1 287 . 1 1 27 27 ALA HB1 H 1 1.538 0.02 . 1 . . . A 27 ALA HB1 . 11440 1 288 . 1 1 27 27 ALA HB2 H 1 1.538 0.02 . 1 . . . A 27 ALA HB2 . 11440 1 289 . 1 1 27 27 ALA HB3 H 1 1.538 0.02 . 1 . . . A 27 ALA HB3 . 11440 1 290 . 1 1 27 27 ALA C C 13 179.916 0.3 . 1 . . . A 27 ALA C . 11440 1 291 . 1 1 27 27 ALA CA C 13 54.371 0.3 . 1 . . . A 27 ALA CA . 11440 1 292 . 1 1 27 27 ALA CB C 13 17.7992 0.3 . 1 . . . A 27 ALA CB . 11440 1 293 . 1 1 27 27 ALA N N 15 117.767 0.4 . 1 . . . A 27 ALA N . 11440 1 294 . 1 1 28 28 ASP H H 1 7.749 0.02 . 1 . . . A 28 ASP H . 11440 1 295 . 1 1 28 28 ASP HA H 1 4.454 0.02 . 1 . . . A 28 ASP HA . 11440 1 296 . 1 1 28 28 ASP HB2 H 1 2.859 0.02 . 2 . . . A 28 ASP HB2 . 11440 1 297 . 1 1 28 28 ASP HB3 H 1 2.295 0.02 . 2 . . . A 28 ASP HB3 . 11440 1 298 . 1 1 28 28 ASP C C 13 177.745 0.3 . 1 . . . A 28 ASP C . 11440 1 299 . 1 1 28 28 ASP CA C 13 56.196 0.3 . 1 . . . A 28 ASP CA . 11440 1 300 . 1 1 28 28 ASP CB C 13 39.9962 0.3 . 1 . . . A 28 ASP CB . 11440 1 301 . 1 1 28 28 ASP N N 15 118.477 0.4 . 1 . . . A 28 ASP N . 11440 1 302 . 1 1 29 29 LEU H H 1 8.081 0.02 . 1 . . . A 29 LEU H . 11440 1 303 . 1 1 29 29 LEU HA H 1 3.841 0.02 . 1 . . . A 29 LEU HA . 11440 1 304 . 1 1 29 29 LEU HB2 H 1 1.866 0.02 . 2 . . . A 29 LEU HB2 . 11440 1 305 . 1 1 29 29 LEU HB3 H 1 1.554 0.02 . 2 . . . A 29 LEU HB3 . 11440 1 306 . 1 1 29 29 LEU HG H 1 1.612 0.02 . 1 . . . A 29 LEU HG . 11440 1 307 . 1 1 29 29 LEU HD11 H 1 0.739 0.02 . 2 . . . A 29 LEU HD11 . 11440 1 308 . 1 1 29 29 LEU HD12 H 1 0.739 0.02 . 2 . . . A 29 LEU HD12 . 11440 1 309 . 1 1 29 29 LEU HD13 H 1 0.739 0.02 . 2 . . . A 29 LEU HD13 . 11440 1 310 . 1 1 29 29 LEU HD21 H 1 0.68 0.02 . 2 . . . A 29 LEU HD21 . 11440 1 311 . 1 1 29 29 LEU HD22 H 1 0.68 0.02 . 2 . . . A 29 LEU HD22 . 11440 1 312 . 1 1 29 29 LEU HD23 H 1 0.68 0.02 . 2 . . . A 29 LEU HD23 . 11440 1 313 . 1 1 29 29 LEU C C 13 178.305 0.3 . 1 . . . A 29 LEU C . 11440 1 314 . 1 1 29 29 LEU CA C 13 57.496 0.3 . 1 . . . A 29 LEU CA . 11440 1 315 . 1 1 29 29 LEU CB C 13 41.1212 0.3 . 1 . . . A 29 LEU CB . 11440 1 316 . 1 1 29 29 LEU CG C 13 26.3812 0.3 . 1 . . . A 29 LEU CG . 11440 1 317 . 1 1 29 29 LEU CD1 C 13 24.8712 0.3 . 2 . . . A 29 LEU CD1 . 11440 1 318 . 1 1 29 29 LEU CD2 C 13 23.8712 0.3 . 2 . . . A 29 LEU CD2 . 11440 1 319 . 1 1 29 29 LEU N N 15 120.898 0.4 . 1 . . . A 29 LEU N . 11440 1 320 . 1 1 30 30 ARG H H 1 8.077 0.02 . 1 . . . A 30 ARG H . 11440 1 321 . 1 1 30 30 ARG HA H 1 3.834 0.02 . 1 . . . A 30 ARG HA . 11440 1 322 . 1 1 30 30 ARG HB2 H 1 1.907 0.02 . 2 . . . A 30 ARG HB2 . 11440 1 323 . 1 1 30 30 ARG HB3 H 1 1.84 0.02 . 2 . . . A 30 ARG HB3 . 11440 1 324 . 1 1 30 30 ARG HG2 H 1 1.627 0.02 . 2 . . . A 30 ARG HG2 . 11440 1 325 . 1 1 30 30 ARG HG3 H 1 1.627 0.02 . 2 . . . A 30 ARG HG3 . 11440 1 326 . 1 1 30 30 ARG HD2 H 1 3.23 0.02 . 2 . . . A 30 ARG HD2 . 11440 1 327 . 1 1 30 30 ARG HD3 H 1 3.356 0.02 . 2 . . . A 30 ARG HD3 . 11440 1 328 . 1 1 30 30 ARG C C 13 178.094 0.3 . 1 . . . A 30 ARG C . 11440 1 329 . 1 1 30 30 ARG CA C 13 59.496 0.3 . 1 . . . A 30 ARG CA . 11440 1 330 . 1 1 30 30 ARG CB C 13 29.3792 0.3 . 1 . . . A 30 ARG CB . 11440 1 331 . 1 1 30 30 ARG CG C 13 27.4292 0.3 . 1 . . . A 30 ARG CG . 11440 1 332 . 1 1 30 30 ARG CD C 13 42.7222 0.3 . 1 . . . A 30 ARG CD . 11440 1 333 . 1 1 30 30 ARG N N 15 117.251 0.4 . 1 . . . A 30 ARG N . 11440 1 334 . 1 1 31 31 HIS H H 1 7.363 0.02 . 1 . . . A 31 HIS H . 11440 1 335 . 1 1 31 31 HIS HA H 1 4.529 0.02 . 1 . . . A 31 HIS HA . 11440 1 336 . 1 1 31 31 HIS HB2 H 1 3.118 0.02 . 2 . . . A 31 HIS HB2 . 11440 1 337 . 1 1 31 31 HIS HB3 H 1 3.316 0.02 . 2 . . . A 31 HIS HB3 . 11440 1 338 . 1 1 31 31 HIS HD2 H 1 7.273 0.02 . 1 . . . A 31 HIS HD2 . 11440 1 339 . 1 1 31 31 HIS HE1 H 1 8.179 0.02 . 1 . . . A 31 HIS HE1 . 11440 1 340 . 1 1 31 31 HIS C C 13 177.447 0.3 . 1 . . . A 31 HIS C . 11440 1 341 . 1 1 31 31 HIS CA C 13 57.966 0.3 . 1 . . . A 31 HIS CA . 11440 1 342 . 1 1 31 31 HIS CB C 13 29.4962 0.3 . 1 . . . A 31 HIS CB . 11440 1 343 . 1 1 31 31 HIS CD2 C 13 119.7306 0.3 . 1 . . . A 31 HIS CD2 . 11440 1 344 . 1 1 31 31 HIS CE1 C 13 137.7306 0.3 . 1 . . . A 31 HIS CE1 . 11440 1 345 . 1 1 31 31 HIS N N 15 117.78 0.4 . 1 . . . A 31 HIS N . 11440 1 346 . 1 1 32 32 VAL H H 1 7.908 0.02 . 1 . . . A 32 VAL H . 11440 1 347 . 1 1 32 32 VAL HA H 1 3.697 0.02 . 1 . . . A 32 VAL HA . 11440 1 348 . 1 1 32 32 VAL HB H 1 2.186 0.02 . 1 . . . A 32 VAL HB . 11440 1 349 . 1 1 32 32 VAL HG11 H 1 0.941 0.02 . 2 . . . A 32 VAL HG11 . 11440 1 350 . 1 1 32 32 VAL HG12 H 1 0.941 0.02 . 2 . . . A 32 VAL HG12 . 11440 1 351 . 1 1 32 32 VAL HG13 H 1 0.941 0.02 . 2 . . . A 32 VAL HG13 . 11440 1 352 . 1 1 32 32 VAL HG21 H 1 0.822 0.02 . 2 . . . A 32 VAL HG21 . 11440 1 353 . 1 1 32 32 VAL HG22 H 1 0.822 0.02 . 2 . . . A 32 VAL HG22 . 11440 1 354 . 1 1 32 32 VAL HG23 H 1 0.822 0.02 . 2 . . . A 32 VAL HG23 . 11440 1 355 . 1 1 32 32 VAL C C 13 177.935 0.3 . 1 . . . A 32 VAL C . 11440 1 356 . 1 1 32 32 VAL CA C 13 65.996 0.3 . 1 . . . A 32 VAL CA . 11440 1 357 . 1 1 32 32 VAL CB C 13 31.4022 0.3 . 1 . . . A 32 VAL CB . 11440 1 358 . 1 1 32 32 VAL CG1 C 13 22.7312 0.3 . 2 . . . A 32 VAL CG1 . 11440 1 359 . 1 1 32 32 VAL CG2 C 13 20.8712 0.3 . 2 . . . A 32 VAL CG2 . 11440 1 360 . 1 1 32 32 VAL N N 15 119.913 0.4 . 1 . . . A 32 VAL N . 11440 1 361 . 1 1 33 33 MET H H 1 8.209 0.02 . 1 . . . A 33 MET H . 11440 1 362 . 1 1 33 33 MET HA H 1 4.439 0.02 . 1 . . . A 33 MET HA . 11440 1 363 . 1 1 33 33 MET HB2 H 1 2.32 0.02 . 2 . . . A 33 MET HB2 . 11440 1 364 . 1 1 33 33 MET HB3 H 1 2.202 0.02 . 2 . . . A 33 MET HB3 . 11440 1 365 . 1 1 33 33 MET HG2 H 1 2.819 0.02 . 2 . . . A 33 MET HG2 . 11440 1 366 . 1 1 33 33 MET HG3 H 1 2.819 0.02 . 2 . . . A 33 MET HG3 . 11440 1 367 . 1 1 33 33 MET HE1 H 1 2.253 0.02 . 1 . . . A 33 MET HE1 . 11440 1 368 . 1 1 33 33 MET HE2 H 1 2.253 0.02 . 1 . . . A 33 MET HE2 . 11440 1 369 . 1 1 33 33 MET HE3 H 1 2.253 0.02 . 1 . . . A 33 MET HE3 . 11440 1 370 . 1 1 33 33 MET C C 13 178.631 0.3 . 1 . . . A 33 MET C . 11440 1 371 . 1 1 33 33 MET CA C 13 57.371 0.3 . 1 . . . A 33 MET CA . 11440 1 372 . 1 1 33 33 MET CB C 13 31.1802 0.3 . 1 . . . A 33 MET CB . 11440 1 373 . 1 1 33 33 MET CG C 13 32.3712 0.3 . 1 . . . A 33 MET CG . 11440 1 374 . 1 1 33 33 MET CE C 13 16.9962 0.3 . 1 . . . A 33 MET CE . 11440 1 375 . 1 1 33 33 MET N N 15 114.845 0.4 . 1 . . . A 33 MET N . 11440 1 376 . 1 1 34 34 THR H H 1 8.066 0.02 . 1 . . . A 34 THR H . 11440 1 377 . 1 1 34 34 THR HA H 1 4.352 0.02 . 1 . . . A 34 THR HA . 11440 1 378 . 1 1 34 34 THR HB H 1 4.536 0.02 . 1 . . . A 34 THR HB . 11440 1 379 . 1 1 34 34 THR HG21 H 1 1.482 0.02 . 1 . . . A 34 THR HG21 . 11440 1 380 . 1 1 34 34 THR HG22 H 1 1.482 0.02 . 1 . . . A 34 THR HG22 . 11440 1 381 . 1 1 34 34 THR HG23 H 1 1.482 0.02 . 1 . . . A 34 THR HG23 . 11440 1 382 . 1 1 34 34 THR C C 13 176.599 0.3 . 1 . . . A 34 THR C . 11440 1 383 . 1 1 34 34 THR CA C 13 64.996 0.3 . 1 . . . A 34 THR CA . 11440 1 384 . 1 1 34 34 THR CB C 13 68.621 0.3 . 1 . . . A 34 THR CB . 11440 1 385 . 1 1 34 34 THR CG2 C 13 21.3712 0.3 . 1 . . . A 34 THR CG2 . 11440 1 386 . 1 1 34 34 THR N N 15 113.151 0.4 . 1 . . . A 34 THR N . 11440 1 387 . 1 1 35 35 ASN H H 1 8.06 0.02 . 1 . . . A 35 ASN H . 11440 1 388 . 1 1 35 35 ASN HA H 1 4.833 0.02 . 1 . . . A 35 ASN HA . 11440 1 389 . 1 1 35 35 ASN HB2 H 1 3.087 0.02 . 2 . . . A 35 ASN HB2 . 11440 1 390 . 1 1 35 35 ASN HB3 H 1 3.087 0.02 . 2 . . . A 35 ASN HB3 . 11440 1 391 . 1 1 35 35 ASN C C 13 176.224 0.3 . 1 . . . A 35 ASN C . 11440 1 392 . 1 1 35 35 ASN CA C 13 54.584 0.3 . 1 . . . A 35 ASN CA . 11440 1 393 . 1 1 35 35 ASN CB C 13 38.3712 0.3 . 1 . . . A 35 ASN CB . 11440 1 394 . 1 1 35 35 ASN N N 15 121.077 0.4 . 1 . . . A 35 ASN N . 11440 1 395 . 1 1 36 36 LEU H H 1 7.871 0.02 . 1 . . . A 36 LEU H . 11440 1 396 . 1 1 36 36 LEU HA H 1 4.559 0.02 . 1 . . . A 36 LEU HA . 11440 1 397 . 1 1 36 36 LEU HB2 H 1 2.042 0.02 . 2 . . . A 36 LEU HB2 . 11440 1 398 . 1 1 36 36 LEU HB3 H 1 1.897 0.02 . 2 . . . A 36 LEU HB3 . 11440 1 399 . 1 1 36 36 LEU HG H 1 2.05 0.02 . 1 . . . A 36 LEU HG . 11440 1 400 . 1 1 36 36 LEU HD11 H 1 1.122 0.02 . 2 . . . A 36 LEU HD11 . 11440 1 401 . 1 1 36 36 LEU HD12 H 1 1.122 0.02 . 2 . . . A 36 LEU HD12 . 11440 1 402 . 1 1 36 36 LEU HD13 H 1 1.122 0.02 . 2 . . . A 36 LEU HD13 . 11440 1 403 . 1 1 36 36 LEU HD21 H 1 1.051 0.02 . 2 . . . A 36 LEU HD21 . 11440 1 404 . 1 1 36 36 LEU HD22 H 1 1.051 0.02 . 2 . . . A 36 LEU HD22 . 11440 1 405 . 1 1 36 36 LEU HD23 H 1 1.051 0.02 . 2 . . . A 36 LEU HD23 . 11440 1 406 . 1 1 36 36 LEU C C 13 177.434 0.3 . 1 . . . A 36 LEU C . 11440 1 407 . 1 1 36 36 LEU CA C 13 55.095 0.3 . 1 . . . A 36 LEU CA . 11440 1 408 . 1 1 36 36 LEU CB C 13 42.2312 0.3 . 1 . . . A 36 LEU CB . 11440 1 409 . 1 1 36 36 LEU CG C 13 26.0002 0.3 . 1 . . . A 36 LEU CG . 11440 1 410 . 1 1 36 36 LEU CD1 C 13 25.6632 0.3 . 2 . . . A 36 LEU CD1 . 11440 1 411 . 1 1 36 36 LEU CD2 C 13 22.6012 0.3 . 2 . . . A 36 LEU CD2 . 11440 1 412 . 1 1 36 36 LEU N N 15 118.836 0.4 . 1 . . . A 36 LEU N . 11440 1 413 . 1 1 37 37 GLY H H 1 8.18 0.02 . 1 . . . A 37 GLY H . 11440 1 414 . 1 1 37 37 GLY HA2 H 1 4.238 0.02 . 2 . . . A 37 GLY HA2 . 11440 1 415 . 1 1 37 37 GLY HA3 H 1 4.048 0.02 . 2 . . . A 37 GLY HA3 . 11440 1 416 . 1 1 37 37 GLY C C 13 174.549 0.3 . 1 . . . A 37 GLY C . 11440 1 417 . 1 1 37 37 GLY CA C 13 45.341 0.3 . 1 . . . A 37 GLY CA . 11440 1 418 . 1 1 37 37 GLY N N 15 107.211 0.4 . 1 . . . A 37 GLY N . 11440 1 419 . 1 1 38 38 GLU H H 1 7.999 0.02 . 1 . . . A 38 GLU H . 11440 1 420 . 1 1 38 38 GLU HA H 1 4.532 0.02 . 1 . . . A 38 GLU HA . 11440 1 421 . 1 1 38 38 GLU HB2 H 1 2.184 0.02 . 2 . . . A 38 GLU HB2 . 11440 1 422 . 1 1 38 38 GLU HB3 H 1 1.984 0.02 . 2 . . . A 38 GLU HB3 . 11440 1 423 . 1 1 38 38 GLU HG2 H 1 2.357 0.02 . 2 . . . A 38 GLU HG2 . 11440 1 424 . 1 1 38 38 GLU HG3 H 1 2.409 0.02 . 2 . . . A 38 GLU HG3 . 11440 1 425 . 1 1 38 38 GLU C C 13 175.827 0.3 . 1 . . . A 38 GLU C . 11440 1 426 . 1 1 38 38 GLU CA C 13 55.617 0.3 . 1 . . . A 38 GLU CA . 11440 1 427 . 1 1 38 38 GLU CB C 13 29.7462 0.3 . 1 . . . A 38 GLU CB . 11440 1 428 . 1 1 38 38 GLU CG C 13 35.2952 0.3 . 1 . . . A 38 GLU CG . 11440 1 429 . 1 1 38 38 GLU N N 15 119.701 0.4 . 1 . . . A 38 GLU N . 11440 1 430 . 1 1 39 39 LYS H H 1 8.529 0.02 . 1 . . . A 39 LYS H . 11440 1 431 . 1 1 39 39 LYS HA H 1 4.495 0.02 . 1 . . . A 39 LYS HA . 11440 1 432 . 1 1 39 39 LYS HB2 H 1 1.92 0.02 . 2 . . . A 39 LYS HB2 . 11440 1 433 . 1 1 39 39 LYS HB3 H 1 2 0.02 . 2 . . . A 39 LYS HB3 . 11440 1 434 . 1 1 39 39 LYS HG2 H 1 1.598 0.02 . 2 . . . A 39 LYS HG2 . 11440 1 435 . 1 1 39 39 LYS HG3 H 1 1.598 0.02 . 2 . . . A 39 LYS HG3 . 11440 1 436 . 1 1 39 39 LYS HD2 H 1 1.847 0.02 . 2 . . . A 39 LYS HD2 . 11440 1 437 . 1 1 39 39 LYS HD3 H 1 1.847 0.02 . 2 . . . A 39 LYS HD3 . 11440 1 438 . 1 1 39 39 LYS HE2 H 1 3.189 0.02 . 2 . . . A 39 LYS HE2 . 11440 1 439 . 1 1 39 39 LYS HE3 H 1 3.189 0.02 . 2 . . . A 39 LYS HE3 . 11440 1 440 . 1 1 39 39 LYS C C 13 175.693 0.3 . 1 . . . A 39 LYS C . 11440 1 441 . 1 1 39 39 LYS CA C 13 55.642 0.3 . 1 . . . A 39 LYS CA . 11440 1 442 . 1 1 39 39 LYS CB C 13 31.6212 0.3 . 1 . . . A 39 LYS CB . 11440 1 443 . 1 1 39 39 LYS CG C 13 24.1902 0.3 . 1 . . . A 39 LYS CG . 11440 1 444 . 1 1 39 39 LYS CD C 13 28.5392 0.3 . 1 . . . A 39 LYS CD . 11440 1 445 . 1 1 39 39 LYS CE C 13 41.7222 0.3 . 1 . . . A 39 LYS CE . 11440 1 446 . 1 1 39 39 LYS N N 15 122.401 0.4 . 1 . . . A 39 LYS N . 11440 1 447 . 1 1 40 40 LEU H H 1 7.962 0.02 . 1 . . . A 40 LEU H . 11440 1 448 . 1 1 40 40 LEU HA H 1 4.869 0.02 . 1 . . . A 40 LEU HA . 11440 1 449 . 1 1 40 40 LEU HB2 H 1 1.703 0.02 . 2 . . . A 40 LEU HB2 . 11440 1 450 . 1 1 40 40 LEU HB3 H 1 1.703 0.02 . 2 . . . A 40 LEU HB3 . 11440 1 451 . 1 1 40 40 LEU HG H 1 1.755 0.02 . 1 . . . A 40 LEU HG . 11440 1 452 . 1 1 40 40 LEU HD11 H 1 1.012 0.02 . 2 . . . A 40 LEU HD11 . 11440 1 453 . 1 1 40 40 LEU HD12 H 1 1.012 0.02 . 2 . . . A 40 LEU HD12 . 11440 1 454 . 1 1 40 40 LEU HD13 H 1 1.012 0.02 . 2 . . . A 40 LEU HD13 . 11440 1 455 . 1 1 40 40 LEU HD21 H 1 1.006 0.02 . 2 . . . A 40 LEU HD21 . 11440 1 456 . 1 1 40 40 LEU HD22 H 1 1.006 0.02 . 2 . . . A 40 LEU HD22 . 11440 1 457 . 1 1 40 40 LEU HD23 H 1 1.006 0.02 . 2 . . . A 40 LEU HD23 . 11440 1 458 . 1 1 40 40 LEU C C 13 177.638 0.3 . 1 . . . A 40 LEU C . 11440 1 459 . 1 1 40 40 LEU CA C 13 53.621 0.3 . 1 . . . A 40 LEU CA . 11440 1 460 . 1 1 40 40 LEU CB C 13 44.1932 0.3 . 1 . . . A 40 LEU CB . 11440 1 461 . 1 1 40 40 LEU CG C 13 26.9992 0.3 . 1 . . . A 40 LEU CG . 11440 1 462 . 1 1 40 40 LEU CD1 C 13 25.8762 0.3 . 2 . . . A 40 LEU CD1 . 11440 1 463 . 1 1 40 40 LEU CD2 C 13 23.2462 0.3 . 2 . . . A 40 LEU CD2 . 11440 1 464 . 1 1 40 40 LEU N N 15 123.289 0.4 . 1 . . . A 40 LEU N . 11440 1 465 . 1 1 41 41 THR H H 1 9.011 0.02 . 1 . . . A 41 THR H . 11440 1 466 . 1 1 41 41 THR HA H 1 4.651 0.02 . 1 . . . A 41 THR HA . 11440 1 467 . 1 1 41 41 THR HB H 1 4.864 0.02 . 1 . . . A 41 THR HB . 11440 1 468 . 1 1 41 41 THR HG21 H 1 1.516 0.02 . 1 . . . A 41 THR HG21 . 11440 1 469 . 1 1 41 41 THR HG22 H 1 1.516 0.02 . 1 . . . A 41 THR HG22 . 11440 1 470 . 1 1 41 41 THR HG23 H 1 1.516 0.02 . 1 . . . A 41 THR HG23 . 11440 1 471 . 1 1 41 41 THR C C 13 175.257 0.3 . 1 . . . A 41 THR C . 11440 1 472 . 1 1 41 41 THR CA C 13 60.255 0.3 . 1 . . . A 41 THR CA . 11440 1 473 . 1 1 41 41 THR CB C 13 70.588 0.3 . 1 . . . A 41 THR CB . 11440 1 474 . 1 1 41 41 THR CG2 C 13 21.3462 0.3 . 1 . . . A 41 THR CG2 . 11440 1 475 . 1 1 41 41 THR N N 15 113.371 0.4 . 1 . . . A 41 THR N . 11440 1 476 . 1 1 42 42 ASP H H 1 8.821 0.02 . 1 . . . A 42 ASP H . 11440 1 477 . 1 1 42 42 ASP HA H 1 4.398 0.02 . 1 . . . A 42 ASP HA . 11440 1 478 . 1 1 42 42 ASP HB2 H 1 2.878 0.02 . 2 . . . A 42 ASP HB2 . 11440 1 479 . 1 1 42 42 ASP HB3 H 1 2.788 0.02 . 2 . . . A 42 ASP HB3 . 11440 1 480 . 1 1 42 42 ASP C C 13 178.123 0.3 . 1 . . . A 42 ASP C . 11440 1 481 . 1 1 42 42 ASP CA C 13 57.496 0.3 . 1 . . . A 42 ASP CA . 11440 1 482 . 1 1 42 42 ASP CB C 13 39.7412 0.3 . 1 . . . A 42 ASP CB . 11440 1 483 . 1 1 42 42 ASP N N 15 120.697 0.4 . 1 . . . A 42 ASP N . 11440 1 484 . 1 1 43 43 GLU H H 1 8.676 0.02 . 1 . . . A 43 GLU H . 11440 1 485 . 1 1 43 43 GLU HA H 1 4.283 0.02 . 1 . . . A 43 GLU HA . 11440 1 486 . 1 1 43 43 GLU HB2 H 1 2.205 0.02 . 2 . . . A 43 GLU HB2 . 11440 1 487 . 1 1 43 43 GLU HB3 H 1 2.15 0.02 . 2 . . . A 43 GLU HB3 . 11440 1 488 . 1 1 43 43 GLU HG2 H 1 2.512 0.02 . 2 . . . A 43 GLU HG2 . 11440 1 489 . 1 1 43 43 GLU HG3 H 1 2.512 0.02 . 2 . . . A 43 GLU HG3 . 11440 1 490 . 1 1 43 43 GLU C C 13 179.034 0.3 . 1 . . . A 43 GLU C . 11440 1 491 . 1 1 43 43 GLU CA C 13 59.371 0.3 . 1 . . . A 43 GLU CA . 11440 1 492 . 1 1 43 43 GLU CB C 13 28.7892 0.3 . 1 . . . A 43 GLU CB . 11440 1 493 . 1 1 43 43 GLU CG C 13 36.0632 0.3 . 1 . . . A 43 GLU CG . 11440 1 494 . 1 1 43 43 GLU N N 15 118.001 0.4 . 1 . . . A 43 GLU N . 11440 1 495 . 1 1 44 44 GLU H H 1 7.809 0.02 . 1 . . . A 44 GLU H . 11440 1 496 . 1 1 44 44 GLU HA H 1 4.23 0.02 . 1 . . . A 44 GLU HA . 11440 1 497 . 1 1 44 44 GLU HB2 H 1 2.514 0.02 . 2 . . . A 44 GLU HB2 . 11440 1 498 . 1 1 44 44 GLU HB3 H 1 2.133 0.02 . 2 . . . A 44 GLU HB3 . 11440 1 499 . 1 1 44 44 GLU HG2 H 1 2.488 0.02 . 2 . . . A 44 GLU HG2 . 11440 1 500 . 1 1 44 44 GLU HG3 H 1 2.488 0.02 . 2 . . . A 44 GLU HG3 . 11440 1 501 . 1 1 44 44 GLU C C 13 179.411 0.3 . 1 . . . A 44 GLU C . 11440 1 502 . 1 1 44 44 GLU CA C 13 58.513 0.3 . 1 . . . A 44 GLU CA . 11440 1 503 . 1 1 44 44 GLU CB C 13 29.9122 0.3 . 1 . . . A 44 GLU CB . 11440 1 504 . 1 1 44 44 GLU CG C 13 37.0172 0.3 . 1 . . . A 44 GLU CG . 11440 1 505 . 1 1 44 44 GLU N N 15 119.988 0.4 . 1 . . . A 44 GLU N . 11440 1 506 . 1 1 45 45 VAL H H 1 8.345 0.02 . 1 . . . A 45 VAL H . 11440 1 507 . 1 1 45 45 VAL HA H 1 3.761 0.02 . 1 . . . A 45 VAL HA . 11440 1 508 . 1 1 45 45 VAL HB H 1 2.353 0.02 . 1 . . . A 45 VAL HB . 11440 1 509 . 1 1 45 45 VAL HG11 H 1 1.157 0.02 . 2 . . . A 45 VAL HG11 . 11440 1 510 . 1 1 45 45 VAL HG12 H 1 1.157 0.02 . 2 . . . A 45 VAL HG12 . 11440 1 511 . 1 1 45 45 VAL HG13 H 1 1.157 0.02 . 2 . . . A 45 VAL HG13 . 11440 1 512 . 1 1 45 45 VAL HG21 H 1 1.107 0.02 . 2 . . . A 45 VAL HG21 . 11440 1 513 . 1 1 45 45 VAL HG22 H 1 1.107 0.02 . 2 . . . A 45 VAL HG22 . 11440 1 514 . 1 1 45 45 VAL HG23 H 1 1.107 0.02 . 2 . . . A 45 VAL HG23 . 11440 1 515 . 1 1 45 45 VAL C C 13 177.262 0.3 . 1 . . . A 45 VAL C . 11440 1 516 . 1 1 45 45 VAL CA C 13 66.549 0.3 . 1 . . . A 45 VAL CA . 11440 1 517 . 1 1 45 45 VAL CB C 13 31.1212 0.3 . 1 . . . A 45 VAL CB . 11440 1 518 . 1 1 45 45 VAL CG1 C 13 23.6212 0.3 . 2 . . . A 45 VAL CG1 . 11440 1 519 . 1 1 45 45 VAL CG2 C 13 21.4012 0.3 . 2 . . . A 45 VAL CG2 . 11440 1 520 . 1 1 45 45 VAL N N 15 120.336 0.4 . 1 . . . A 45 VAL N . 11440 1 521 . 1 1 46 46 ASP H H 1 8.252 0.02 . 1 . . . A 46 ASP H . 11440 1 522 . 1 1 46 46 ASP HA H 1 4.494 0.02 . 1 . . . A 46 ASP HA . 11440 1 523 . 1 1 46 46 ASP HB2 H 1 2.94 0.02 . 2 . . . A 46 ASP HB2 . 11440 1 524 . 1 1 46 46 ASP HB3 H 1 2.792 0.02 . 2 . . . A 46 ASP HB3 . 11440 1 525 . 1 1 46 46 ASP C C 13 178.969 0.3 . 1 . . . A 46 ASP C . 11440 1 526 . 1 1 46 46 ASP CA C 13 57.371 0.3 . 1 . . . A 46 ASP CA . 11440 1 527 . 1 1 46 46 ASP CB C 13 40.0962 0.3 . 1 . . . A 46 ASP CB . 11440 1 528 . 1 1 46 46 ASP N N 15 119.211 0.4 . 1 . . . A 46 ASP N . 11440 1 529 . 1 1 47 47 GLU H H 1 7.902 0.02 . 1 . . . A 47 GLU H . 11440 1 530 . 1 1 47 47 GLU HA H 1 4.175 0.02 . 1 . . . A 47 GLU HA . 11440 1 531 . 1 1 47 47 GLU HB2 H 1 2.27 0.02 . 2 . . . A 47 GLU HB2 . 11440 1 532 . 1 1 47 47 GLU HB3 H 1 2.27 0.02 . 2 . . . A 47 GLU HB3 . 11440 1 533 . 1 1 47 47 GLU HG2 H 1 2.446 0.02 . 2 . . . A 47 GLU HG2 . 11440 1 534 . 1 1 47 47 GLU HG3 H 1 2.544 0.02 . 2 . . . A 47 GLU HG3 . 11440 1 535 . 1 1 47 47 GLU C C 13 178.23 0.3 . 1 . . . A 47 GLU C . 11440 1 536 . 1 1 47 47 GLU CA C 13 58.731 0.3 . 1 . . . A 47 GLU CA . 11440 1 537 . 1 1 47 47 GLU CB C 13 28.9302 0.3 . 1 . . . A 47 GLU CB . 11440 1 538 . 1 1 47 47 GLU CG C 13 35.4002 0.3 . 1 . . . A 47 GLU CG . 11440 1 539 . 1 1 47 47 GLU N N 15 118.643 0.4 . 1 . . . A 47 GLU N . 11440 1 540 . 1 1 48 48 MET H H 1 8.106 0.02 . 1 . . . A 48 MET H . 11440 1 541 . 1 1 48 48 MET HA H 1 4.276 0.02 . 1 . . . A 48 MET HA . 11440 1 542 . 1 1 48 48 MET HB2 H 1 2.457 0.02 . 2 . . . A 48 MET HB2 . 11440 1 543 . 1 1 48 48 MET HB3 H 1 2.29 0.02 . 2 . . . A 48 MET HB3 . 11440 1 544 . 1 1 48 48 MET HG2 H 1 2.706 0.02 . 2 . . . A 48 MET HG2 . 11440 1 545 . 1 1 48 48 MET HG3 H 1 2.941 0.02 . 2 . . . A 48 MET HG3 . 11440 1 546 . 1 1 48 48 MET HE1 H 1 2.181 0.02 . 1 . . . A 48 MET HE1 . 11440 1 547 . 1 1 48 48 MET HE2 H 1 2.181 0.02 . 1 . . . A 48 MET HE2 . 11440 1 548 . 1 1 48 48 MET HE3 H 1 2.181 0.02 . 1 . . . A 48 MET HE3 . 11440 1 549 . 1 1 48 48 MET C C 13 178.439 0.3 . 1 . . . A 48 MET C . 11440 1 550 . 1 1 48 48 MET CA C 13 58.898 0.3 . 1 . . . A 48 MET CA . 11440 1 551 . 1 1 48 48 MET CB C 13 32.9632 0.3 . 1 . . . A 48 MET CB . 11440 1 552 . 1 1 48 48 MET CG C 13 32.1422 0.3 . 1 . . . A 48 MET CG . 11440 1 553 . 1 1 48 48 MET CE C 13 17.0342 0.3 . 1 . . . A 48 MET CE . 11440 1 554 . 1 1 48 48 MET N N 15 118.914 0.4 . 1 . . . A 48 MET N . 11440 1 555 . 1 1 49 49 ILE H H 1 8.476 0.02 . 1 . . . A 49 ILE H . 11440 1 556 . 1 1 49 49 ILE HA H 1 3.72 0.02 . 1 . . . A 49 ILE HA . 11440 1 557 . 1 1 49 49 ILE HB H 1 2.134 0.02 . 1 . . . A 49 ILE HB . 11440 1 558 . 1 1 49 49 ILE HG12 H 1 1.991 0.02 . 2 . . . A 49 ILE HG12 . 11440 1 559 . 1 1 49 49 ILE HG13 H 1 1.171 0.02 . 2 . . . A 49 ILE HG13 . 11440 1 560 . 1 1 49 49 ILE HG21 H 1 1.039 0.02 . 1 . . . A 49 ILE HG21 . 11440 1 561 . 1 1 49 49 ILE HG22 H 1 1.039 0.02 . 1 . . . A 49 ILE HG22 . 11440 1 562 . 1 1 49 49 ILE HG23 H 1 1.039 0.02 . 1 . . . A 49 ILE HG23 . 11440 1 563 . 1 1 49 49 ILE HD11 H 1 0.949 0.02 . 1 . . . A 49 ILE HD11 . 11440 1 564 . 1 1 49 49 ILE HD12 H 1 0.949 0.02 . 1 . . . A 49 ILE HD12 . 11440 1 565 . 1 1 49 49 ILE HD13 H 1 0.949 0.02 . 1 . . . A 49 ILE HD13 . 11440 1 566 . 1 1 49 49 ILE C C 13 177.264 0.3 . 1 . . . A 49 ILE C . 11440 1 567 . 1 1 49 49 ILE CA C 13 65.246 0.3 . 1 . . . A 49 ILE CA . 11440 1 568 . 1 1 49 49 ILE CB C 13 37.1212 0.3 . 1 . . . A 49 ILE CB . 11440 1 569 . 1 1 49 49 ILE CG1 C 13 29.0702 0.3 . 1 . . . A 49 ILE CG1 . 11440 1 570 . 1 1 49 49 ILE CG2 C 13 16.9812 0.3 . 1 . . . A 49 ILE CG2 . 11440 1 571 . 1 1 49 49 ILE CD1 C 13 13.1254 0.3 . 1 . . . A 49 ILE CD1 . 11440 1 572 . 1 1 49 49 ILE N N 15 118.648 0.4 . 1 . . . A 49 ILE N . 11440 1 573 . 1 1 50 50 ARG H H 1 7.882 0.02 . 1 . . . A 50 ARG H . 11440 1 574 . 1 1 50 50 ARG HA H 1 4.224 0.02 . 1 . . . A 50 ARG HA . 11440 1 575 . 1 1 50 50 ARG HB2 H 1 2.096 0.02 . 2 . . . A 50 ARG HB2 . 11440 1 576 . 1 1 50 50 ARG HB3 H 1 2.096 0.02 . 2 . . . A 50 ARG HB3 . 11440 1 577 . 1 1 50 50 ARG HG2 H 1 1.949 0.02 . 2 . . . A 50 ARG HG2 . 11440 1 578 . 1 1 50 50 ARG HG3 H 1 1.819 0.02 . 2 . . . A 50 ARG HG3 . 11440 1 579 . 1 1 50 50 ARG HD2 H 1 3.392 0.02 . 2 . . . A 50 ARG HD2 . 11440 1 580 . 1 1 50 50 ARG HD3 H 1 3.392 0.02 . 2 . . . A 50 ARG HD3 . 11440 1 581 . 1 1 50 50 ARG C C 13 178.832 0.3 . 1 . . . A 50 ARG C . 11440 1 582 . 1 1 50 50 ARG CA C 13 58.556 0.3 . 1 . . . A 50 ARG CA . 11440 1 583 . 1 1 50 50 ARG CB C 13 29.4892 0.3 . 1 . . . A 50 ARG CB . 11440 1 584 . 1 1 50 50 ARG CG C 13 27.1602 0.3 . 1 . . . A 50 ARG CG . 11440 1 585 . 1 1 50 50 ARG CD C 13 42.9702 0.3 . 1 . . . A 50 ARG CD . 11440 1 586 . 1 1 50 50 ARG N N 15 117.955 0.4 . 1 . . . A 50 ARG N . 11440 1 587 . 1 1 51 51 GLU H H 1 7.969 0.02 . 1 . . . A 51 GLU H . 11440 1 588 . 1 1 51 51 GLU HA H 1 4.229 0.02 . 1 . . . A 51 GLU HA . 11440 1 589 . 1 1 51 51 GLU HB2 H 1 2.239 0.02 . 2 . . . A 51 GLU HB2 . 11440 1 590 . 1 1 51 51 GLU HB3 H 1 2.239 0.02 . 2 . . . A 51 GLU HB3 . 11440 1 591 . 1 1 51 51 GLU HG2 H 1 2.588 0.02 . 2 . . . A 51 GLU HG2 . 11440 1 592 . 1 1 51 51 GLU HG3 H 1 2.441 0.02 . 2 . . . A 51 GLU HG3 . 11440 1 593 . 1 1 51 51 GLU C C 13 177.448 0.3 . 1 . . . A 51 GLU C . 11440 1 594 . 1 1 51 51 GLU CA C 13 57.54 0.3 . 1 . . . A 51 GLU CA . 11440 1 595 . 1 1 51 51 GLU CB C 13 29.2312 0.3 . 1 . . . A 51 GLU CB . 11440 1 596 . 1 1 51 51 GLU CG C 13 35.6842 0.3 . 1 . . . A 51 GLU CG . 11440 1 597 . 1 1 51 51 GLU N N 15 116.398 0.4 . 1 . . . A 51 GLU N . 11440 1 598 . 1 1 52 52 ALA H H 1 8.085 0.02 . 1 . . . A 52 ALA H . 11440 1 599 . 1 1 52 52 ALA HA H 1 4.47 0.02 . 1 . . . A 52 ALA HA . 11440 1 600 . 1 1 52 52 ALA HB1 H 1 1.666 0.02 . 1 . . . A 52 ALA HB1 . 11440 1 601 . 1 1 52 52 ALA HB2 H 1 1.666 0.02 . 1 . . . A 52 ALA HB2 . 11440 1 602 . 1 1 52 52 ALA HB3 H 1 1.666 0.02 . 1 . . . A 52 ALA HB3 . 11440 1 603 . 1 1 52 52 ALA C C 13 177.766 0.3 . 1 . . . A 52 ALA C . 11440 1 604 . 1 1 52 52 ALA CA C 13 52.614 0.3 . 1 . . . A 52 ALA CA . 11440 1 605 . 1 1 52 52 ALA CB C 13 19.3712 0.3 . 1 . . . A 52 ALA CB . 11440 1 606 . 1 1 52 52 ALA N N 15 118.836 0.4 . 1 . . . A 52 ALA N . 11440 1 607 . 1 1 53 53 ASP H H 1 8.251 0.02 . 1 . . . A 53 ASP H . 11440 1 608 . 1 1 53 53 ASP HA H 1 5.264 0.02 . 1 . . . A 53 ASP HA . 11440 1 609 . 1 1 53 53 ASP HB2 H 1 3.183 0.02 . 2 . . . A 53 ASP HB2 . 11440 1 610 . 1 1 53 53 ASP HB3 H 1 2.396 0.02 . 2 . . . A 53 ASP HB3 . 11440 1 611 . 1 1 53 53 ASP C C 13 177.147 0.3 . 1 . . . A 53 ASP C . 11440 1 612 . 1 1 53 53 ASP CA C 13 51.996 0.3 . 1 . . . A 53 ASP CA . 11440 1 613 . 1 1 53 53 ASP CB C 13 38.9962 0.3 . 1 . . . A 53 ASP CB . 11440 1 614 . 1 1 53 53 ASP N N 15 118.165 0.4 . 1 . . . A 53 ASP N . 11440 1 615 . 1 1 54 54 ILE H H 1 7.562 0.02 . 1 . . . A 54 ILE H . 11440 1 616 . 1 1 54 54 ILE HA H 1 4.169 0.02 . 1 . . . A 54 ILE HA . 11440 1 617 . 1 1 54 54 ILE HB H 1 2.141 0.02 . 1 . . . A 54 ILE HB . 11440 1 618 . 1 1 54 54 ILE HG12 H 1 1.688 0.02 . 2 . . . A 54 ILE HG12 . 11440 1 619 . 1 1 54 54 ILE HG13 H 1 1.469 0.02 . 2 . . . A 54 ILE HG13 . 11440 1 620 . 1 1 54 54 ILE HG21 H 1 1.165 0.02 . 1 . . . A 54 ILE HG21 . 11440 1 621 . 1 1 54 54 ILE HG22 H 1 1.165 0.02 . 1 . . . A 54 ILE HG22 . 11440 1 622 . 1 1 54 54 ILE HG23 H 1 1.165 0.02 . 1 . . . A 54 ILE HG23 . 11440 1 623 . 1 1 54 54 ILE HD11 H 1 1.092 0.02 . 1 . . . A 54 ILE HD11 . 11440 1 624 . 1 1 54 54 ILE HD12 H 1 1.092 0.02 . 1 . . . A 54 ILE HD12 . 11440 1 625 . 1 1 54 54 ILE HD13 H 1 1.092 0.02 . 1 . . . A 54 ILE HD13 . 11440 1 626 . 1 1 54 54 ILE C C 13 176.587 0.3 . 1 . . . A 54 ILE C . 11440 1 627 . 1 1 54 54 ILE CA C 13 63.121 0.3 . 1 . . . A 54 ILE CA . 11440 1 628 . 1 1 54 54 ILE CB C 13 37.7492 0.3 . 1 . . . A 54 ILE CB . 11440 1 629 . 1 1 54 54 ILE CG1 C 13 27.2012 0.3 . 1 . . . A 54 ILE CG1 . 11440 1 630 . 1 1 54 54 ILE CG2 C 13 17.3022 0.3 . 1 . . . A 54 ILE CG2 . 11440 1 631 . 1 1 54 54 ILE CD1 C 13 12.6862 0.3 . 1 . . . A 54 ILE CD1 . 11440 1 632 . 1 1 54 54 ILE N N 15 120.711 0.4 . 1 . . . A 54 ILE N . 11440 1 633 . 1 1 55 55 ASP H H 1 8.254 0.02 . 1 . . . A 55 ASP H . 11440 1 634 . 1 1 55 55 ASP HA H 1 4.771 0.02 . 1 . . . A 55 ASP HA . 11440 1 635 . 1 1 55 55 ASP HB2 H 1 3.174 0.02 . 2 . . . A 55 ASP HB2 . 11440 1 636 . 1 1 55 55 ASP HB3 H 1 2.802 0.02 . 2 . . . A 55 ASP HB3 . 11440 1 637 . 1 1 55 55 ASP C C 13 177.624 0.3 . 1 . . . A 55 ASP C . 11440 1 638 . 1 1 55 55 ASP CA C 13 52.336 0.3 . 1 . . . A 55 ASP CA . 11440 1 639 . 1 1 55 55 ASP CB C 13 39.7432 0.3 . 1 . . . A 55 ASP CB . 11440 1 640 . 1 1 56 56 GLY H H 1 7.919 0.02 . 1 . . . A 56 GLY H . 11440 1 641 . 1 1 56 56 GLY HA2 H 1 4.723 0.02 . 2 . . . A 56 GLY HA2 . 11440 1 642 . 1 1 56 56 GLY HA3 H 1 4.723 0.02 . 2 . . . A 56 GLY HA3 . 11440 1 643 . 1 1 56 56 GLY CA C 13 45.389 0.3 . 1 . . . A 56 GLY CA . 11440 1 644 . 1 1 56 56 GLY N N 15 108.191 0.4 . 1 . . . A 56 GLY N . 11440 1 645 . 1 1 57 57 ASP HA H 1 5.022 0.02 . 1 . . . A 57 ASP HA . 11440 1 646 . 1 1 57 57 ASP HB2 H 1 2.926 0.02 . 2 . . . A 57 ASP HB2 . 11440 1 647 . 1 1 57 57 ASP HB3 H 1 3.461 0.02 . 2 . . . A 57 ASP HB3 . 11440 1 648 . 1 1 57 57 ASP CA C 13 52.02 0.3 . 1 . . . A 57 ASP CA . 11440 1 649 . 1 1 57 57 ASP CB C 13 38.6982 0.3 . 1 . . . A 57 ASP CB . 11440 1 650 . 1 1 58 58 GLY H H 1 8.245 0.02 . 1 . . . A 58 GLY H . 11440 1 651 . 1 1 58 58 GLY HA2 H 1 3.71 0.02 . 2 . . . A 58 GLY HA2 . 11440 1 652 . 1 1 58 58 GLY HA3 H 1 4.434 0.02 . 2 . . . A 58 GLY HA3 . 11440 1 653 . 1 1 58 58 GLY CA C 13 45.233 0.3 . 1 . . . A 58 GLY CA . 11440 1 654 . 1 1 59 59 GLN H H 1 8.538 0.02 . 1 . . . A 59 GLN H . 11440 1 655 . 1 1 59 59 GLN HA H 1 5.192 0.02 . 1 . . . A 59 GLN HA . 11440 1 656 . 1 1 59 59 GLN HB2 H 1 2.204 0.02 . 2 . . . A 59 GLN HB2 . 11440 1 657 . 1 1 59 59 GLN HB3 H 1 2.131 0.02 . 2 . . . A 59 GLN HB3 . 11440 1 658 . 1 1 59 59 GLN HG2 H 1 2.128 0.02 . 2 . . . A 59 GLN HG2 . 11440 1 659 . 1 1 59 59 GLN HG3 H 1 2.293 0.02 . 2 . . . A 59 GLN HG3 . 11440 1 660 . 1 1 59 59 GLN HE21 H 1 6.608 0.02 . 2 . . . A 59 GLN HE21 . 11440 1 661 . 1 1 59 59 GLN HE22 H 1 7.262 0.02 . 2 . . . A 59 GLN HE22 . 11440 1 662 . 1 1 59 59 GLN CA C 13 53.746 0.3 . 1 . . . A 59 GLN CA . 11440 1 663 . 1 1 59 59 GLN CB C 13 30.3412 0.3 . 1 . . . A 59 GLN CB . 11440 1 664 . 1 1 59 59 GLN CG C 13 32.4972 0.3 . 1 . . . A 59 GLN CG . 11440 1 665 . 1 1 59 59 GLN N N 15 118.836 0.4 . 1 . . . A 59 GLN N . 11440 1 666 . 1 1 59 59 GLN NE2 N 15 109.836 0.4 . 1 . . . A 59 GLN NE2 . 11440 1 667 . 1 1 60 60 VAL H H 1 9.774 0.02 . 1 . . . A 60 VAL H . 11440 1 668 . 1 1 60 60 VAL HA H 1 4.756 0.02 . 1 . . . A 60 VAL HA . 11440 1 669 . 1 1 60 60 VAL HB H 1 2.156 0.02 . 1 . . . A 60 VAL HB . 11440 1 670 . 1 1 60 60 VAL HG11 H 1 1.158 0.02 . 2 . . . A 60 VAL HG11 . 11440 1 671 . 1 1 60 60 VAL HG12 H 1 1.158 0.02 . 2 . . . A 60 VAL HG12 . 11440 1 672 . 1 1 60 60 VAL HG13 H 1 1.158 0.02 . 2 . . . A 60 VAL HG13 . 11440 1 673 . 1 1 60 60 VAL HG21 H 1 0.979 0.02 . 2 . . . A 60 VAL HG21 . 11440 1 674 . 1 1 60 60 VAL HG22 H 1 0.979 0.02 . 2 . . . A 60 VAL HG22 . 11440 1 675 . 1 1 60 60 VAL HG23 H 1 0.979 0.02 . 2 . . . A 60 VAL HG23 . 11440 1 676 . 1 1 60 60 VAL C C 13 173.867 0.3 . 1 . . . A 60 VAL C . 11440 1 677 . 1 1 60 60 VAL CA C 13 60.47 0.3 . 1 . . . A 60 VAL CA . 11440 1 678 . 1 1 60 60 VAL CB C 13 34.3502 0.3 . 1 . . . A 60 VAL CB . 11440 1 679 . 1 1 60 60 VAL CG1 C 13 21.3712 0.3 . 2 . . . A 60 VAL CG1 . 11440 1 680 . 1 1 60 60 VAL CG2 C 13 20.3712 0.3 . 2 . . . A 60 VAL CG2 . 11440 1 681 . 1 1 60 60 VAL N N 15 124.274 0.4 . 1 . . . A 60 VAL N . 11440 1 682 . 1 1 61 61 ASN H H 1 9.144 0.02 . 1 . . . A 61 ASN H . 11440 1 683 . 1 1 61 61 ASN HA H 1 5.02 0.02 . 1 . . . A 61 ASN HA . 11440 1 684 . 1 1 61 61 ASN HB2 H 1 2.826 0.02 . 2 . . . A 61 ASN HB2 . 11440 1 685 . 1 1 61 61 ASN HB3 H 1 2.731 0.02 . 2 . . . A 61 ASN HB3 . 11440 1 686 . 1 1 61 61 ASN C C 13 175.636 0.3 . 1 . . . A 61 ASN C . 11440 1 687 . 1 1 61 61 ASN CA C 13 51.371 0.3 . 1 . . . A 61 ASN CA . 11440 1 688 . 1 1 61 61 ASN CB C 13 39.2462 0.3 . 1 . . . A 61 ASN CB . 11440 1 689 . 1 1 61 61 ASN N N 15 125.809 0.4 . 1 . . . A 61 ASN N . 11440 1 690 . 1 1 62 62 TYR H H 1 8.393 0.02 . 1 . . . A 62 TYR H . 11440 1 691 . 1 1 62 62 TYR HA H 1 3.655 0.02 . 1 . . . A 62 TYR HA . 11440 1 692 . 1 1 62 62 TYR HB2 H 1 2.608 0.02 . 2 . . . A 62 TYR HB2 . 11440 1 693 . 1 1 62 62 TYR HB3 H 1 2.608 0.02 . 2 . . . A 62 TYR HB3 . 11440 1 694 . 1 1 62 62 TYR HD1 H 1 6.566 0.02 . 3 . . . A 62 TYR HD1 . 11440 1 695 . 1 1 62 62 TYR HD2 H 1 6.566 0.02 . 3 . . . A 62 TYR HD2 . 11440 1 696 . 1 1 62 62 TYR HE1 H 1 6.806 0.02 . 3 . . . A 62 TYR HE1 . 11440 1 697 . 1 1 62 62 TYR HE2 H 1 6.806 0.02 . 3 . . . A 62 TYR HE2 . 11440 1 698 . 1 1 62 62 TYR C C 13 175.842 0.3 . 1 . . . A 62 TYR C . 11440 1 699 . 1 1 62 62 TYR CA C 13 60.675 0.3 . 1 . . . A 62 TYR CA . 11440 1 700 . 1 1 62 62 TYR CB C 13 37.4812 0.3 . 1 . . . A 62 TYR CB . 11440 1 701 . 1 1 62 62 TYR CD1 C 13 132.3706 0.3 . 3 . . . A 62 TYR CD1 . 11440 1 702 . 1 1 62 62 TYR CD2 C 13 132.3706 0.3 . 3 . . . A 62 TYR CD2 . 11440 1 703 . 1 1 62 62 TYR CE1 C 13 117.2456 0.3 . 3 . . . A 62 TYR CE1 . 11440 1 704 . 1 1 62 62 TYR CE2 C 13 117.2456 0.3 . 3 . . . A 62 TYR CE2 . 11440 1 705 . 1 1 62 62 TYR N N 15 123.592 0.4 . 1 . . . A 62 TYR N . 11440 1 706 . 1 1 63 63 GLU H H 1 8.217 0.02 . 1 . . . A 63 GLU H . 11440 1 707 . 1 1 63 63 GLU HA H 1 3.938 0.02 . 1 . . . A 63 GLU HA . 11440 1 708 . 1 1 63 63 GLU HB2 H 1 2.096 0.02 . 2 . . . A 63 GLU HB2 . 11440 1 709 . 1 1 63 63 GLU HB3 H 1 2.096 0.02 . 2 . . . A 63 GLU HB3 . 11440 1 710 . 1 1 63 63 GLU HG2 H 1 2.422 0.02 . 2 . . . A 63 GLU HG2 . 11440 1 711 . 1 1 63 63 GLU HG3 H 1 2.422 0.02 . 2 . . . A 63 GLU HG3 . 11440 1 712 . 1 1 63 63 GLU C C 13 176.523 0.3 . 1 . . . A 63 GLU C . 11440 1 713 . 1 1 63 63 GLU CA C 13 59.371 0.3 . 1 . . . A 63 GLU CA . 11440 1 714 . 1 1 63 63 GLU CB C 13 28.1132 0.3 . 1 . . . A 63 GLU CB . 11440 1 715 . 1 1 63 63 GLU CG C 13 35.7872 0.3 . 1 . . . A 63 GLU CG . 11440 1 716 . 1 1 63 63 GLU N N 15 119.211 0.4 . 1 . . . A 63 GLU N . 11440 1 717 . 1 1 64 64 ASP H H 1 7.862 0.02 . 1 . . . A 64 ASP H . 11440 1 718 . 1 1 64 64 ASP HA H 1 4.559 0.02 . 1 . . . A 64 ASP HA . 11440 1 719 . 1 1 64 64 ASP HB2 H 1 3.073 0.02 . 2 . . . A 64 ASP HB2 . 11440 1 720 . 1 1 64 64 ASP HB3 H 1 3.024 0.02 . 2 . . . A 64 ASP HB3 . 11440 1 721 . 1 1 64 64 ASP C C 13 178.618 0.3 . 1 . . . A 64 ASP C . 11440 1 722 . 1 1 64 64 ASP CA C 13 56.559 0.3 . 1 . . . A 64 ASP CA . 11440 1 723 . 1 1 64 64 ASP CB C 13 40.0572 0.3 . 1 . . . A 64 ASP CB . 11440 1 724 . 1 1 64 64 ASP N N 15 118.859 0.4 . 1 . . . A 64 ASP N . 11440 1 725 . 1 1 65 65 PHE H H 1 7.992 0.02 . 1 . . . A 65 PHE H . 11440 1 726 . 1 1 65 65 PHE HA H 1 4.317 0.02 . 1 . . . A 65 PHE HA . 11440 1 727 . 1 1 65 65 PHE HB2 H 1 3.261 0.02 . 2 . . . A 65 PHE HB2 . 11440 1 728 . 1 1 65 65 PHE HB3 H 1 3.12 0.02 . 2 . . . A 65 PHE HB3 . 11440 1 729 . 1 1 65 65 PHE HD1 H 1 7.16 0.02 . 3 . . . A 65 PHE HD1 . 11440 1 730 . 1 1 65 65 PHE HD2 H 1 7.16 0.02 . 3 . . . A 65 PHE HD2 . 11440 1 731 . 1 1 65 65 PHE HE1 H 1 7.467 0.02 . 3 . . . A 65 PHE HE1 . 11440 1 732 . 1 1 65 65 PHE HE2 H 1 7.467 0.02 . 3 . . . A 65 PHE HE2 . 11440 1 733 . 1 1 65 65 PHE HZ H 1 7.353 0.02 . 1 . . . A 65 PHE HZ . 11440 1 734 . 1 1 65 65 PHE C C 13 176.545 0.3 . 1 . . . A 65 PHE C . 11440 1 735 . 1 1 65 65 PHE CA C 13 60.573 0.3 . 1 . . . A 65 PHE CA . 11440 1 736 . 1 1 65 65 PHE CB C 13 38.9722 0.3 . 1 . . . A 65 PHE CB . 11440 1 737 . 1 1 65 65 PHE CD1 C 13 130.9806 0.3 . 3 . . . A 65 PHE CD1 . 11440 1 738 . 1 1 65 65 PHE CD2 C 13 130.9806 0.3 . 3 . . . A 65 PHE CD2 . 11440 1 739 . 1 1 65 65 PHE CE1 C 13 130.9806 0.3 . 3 . . . A 65 PHE CE1 . 11440 1 740 . 1 1 65 65 PHE CE2 C 13 130.9806 0.3 . 3 . . . A 65 PHE CE2 . 11440 1 741 . 1 1 65 65 PHE CZ C 13 129.7096 0.3 . 1 . . . A 65 PHE CZ . 11440 1 742 . 1 1 65 65 PHE N N 15 120.319 0.4 . 1 . . . A 65 PHE N . 11440 1 743 . 1 1 66 66 VAL H H 1 8.529 0.02 . 1 . . . A 66 VAL H . 11440 1 744 . 1 1 66 66 VAL HA H 1 3.401 0.02 . 1 . . . A 66 VAL HA . 11440 1 745 . 1 1 66 66 VAL HB H 1 2.028 0.02 . 1 . . . A 66 VAL HB . 11440 1 746 . 1 1 66 66 VAL HG11 H 1 0.893 0.02 . 2 . . . A 66 VAL HG11 . 11440 1 747 . 1 1 66 66 VAL HG12 H 1 0.893 0.02 . 2 . . . A 66 VAL HG12 . 11440 1 748 . 1 1 66 66 VAL HG13 H 1 0.893 0.02 . 2 . . . A 66 VAL HG13 . 11440 1 749 . 1 1 66 66 VAL HG21 H 1 0.939 0.02 . 2 . . . A 66 VAL HG21 . 11440 1 750 . 1 1 66 66 VAL HG22 H 1 0.939 0.02 . 2 . . . A 66 VAL HG22 . 11440 1 751 . 1 1 66 66 VAL HG23 H 1 0.939 0.02 . 2 . . . A 66 VAL HG23 . 11440 1 752 . 1 1 66 66 VAL C C 13 178.695 0.3 . 1 . . . A 66 VAL C . 11440 1 753 . 1 1 66 66 VAL CA C 13 66.224 0.3 . 1 . . . A 66 VAL CA . 11440 1 754 . 1 1 66 66 VAL CB C 13 30.8132 0.3 . 1 . . . A 66 VAL CB . 11440 1 755 . 1 1 66 66 VAL CG1 C 13 22.3382 0.3 . 2 . . . A 66 VAL CG1 . 11440 1 756 . 1 1 66 66 VAL CG2 C 13 20.7882 0.3 . 2 . . . A 66 VAL CG2 . 11440 1 757 . 1 1 66 66 VAL N N 15 118.615 0.4 . 1 . . . A 66 VAL N . 11440 1 758 . 1 1 67 67 GLN H H 1 7.847 0.02 . 1 . . . A 67 GLN H . 11440 1 759 . 1 1 67 67 GLN HA H 1 4.094 0.02 . 1 . . . A 67 GLN HA . 11440 1 760 . 1 1 67 67 GLN HB2 H 1 2.31 0.02 . 2 . . . A 67 GLN HB2 . 11440 1 761 . 1 1 67 67 GLN HB3 H 1 2.31 0.02 . 2 . . . A 67 GLN HB3 . 11440 1 762 . 1 1 67 67 GLN HG2 H 1 2.583 0.02 . 2 . . . A 67 GLN HG2 . 11440 1 763 . 1 1 67 67 GLN HG3 H 1 2.642 0.02 . 2 . . . A 67 GLN HG3 . 11440 1 764 . 1 1 67 67 GLN C C 13 177.997 0.3 . 1 . . . A 67 GLN C . 11440 1 765 . 1 1 67 67 GLN CA C 13 58.371 0.3 . 1 . . . A 67 GLN CA . 11440 1 766 . 1 1 67 67 GLN CB C 13 27.7462 0.3 . 1 . . . A 67 GLN CB . 11440 1 767 . 1 1 67 67 GLN CG C 13 33.3382 0.3 . 1 . . . A 67 GLN CG . 11440 1 768 . 1 1 67 67 GLN N N 15 118.84 0.4 . 1 . . . A 67 GLN N . 11440 1 769 . 1 1 68 68 MET H H 1 7.759 0.02 . 1 . . . A 68 MET H . 11440 1 770 . 1 1 68 68 MET HA H 1 4.287 0.02 . 1 . . . A 68 MET HA . 11440 1 771 . 1 1 68 68 MET HB2 H 1 2.261 0.02 . 2 . . . A 68 MET HB2 . 11440 1 772 . 1 1 68 68 MET HB3 H 1 2.261 0.02 . 2 . . . A 68 MET HB3 . 11440 1 773 . 1 1 68 68 MET HG2 H 1 2.641 0.02 . 2 . . . A 68 MET HG2 . 11440 1 774 . 1 1 68 68 MET HG3 H 1 2.803 0.02 . 2 . . . A 68 MET HG3 . 11440 1 775 . 1 1 68 68 MET HE1 H 1 2.142 0.02 . 1 . . . A 68 MET HE1 . 11440 1 776 . 1 1 68 68 MET HE2 H 1 2.142 0.02 . 1 . . . A 68 MET HE2 . 11440 1 777 . 1 1 68 68 MET HE3 H 1 2.142 0.02 . 1 . . . A 68 MET HE3 . 11440 1 778 . 1 1 68 68 MET C C 13 178.009 0.3 . 1 . . . A 68 MET C . 11440 1 779 . 1 1 68 68 MET CA C 13 57.746 0.3 . 1 . . . A 68 MET CA . 11440 1 780 . 1 1 68 68 MET CB C 13 31.6062 0.3 . 1 . . . A 68 MET CB . 11440 1 781 . 1 1 68 68 MET CG C 13 31.0702 0.3 . 1 . . . A 68 MET CG . 11440 1 782 . 1 1 68 68 MET CE C 13 16.8902 0.3 . 1 . . . A 68 MET CE . 11440 1 783 . 1 1 68 68 MET N N 15 117.991 0.4 . 1 . . . A 68 MET N . 11440 1 784 . 1 1 69 69 MET H H 1 7.9 0.02 . 1 . . . A 69 MET H . 11440 1 785 . 1 1 69 69 MET HA H 1 4.398 0.02 . 1 . . . A 69 MET HA . 11440 1 786 . 1 1 69 69 MET HB2 H 1 2.003 0.02 . 2 . . . A 69 MET HB2 . 11440 1 787 . 1 1 69 69 MET HB3 H 1 2.083 0.02 . 2 . . . A 69 MET HB3 . 11440 1 788 . 1 1 69 69 MET HG2 H 1 2.227 0.02 . 2 . . . A 69 MET HG2 . 11440 1 789 . 1 1 69 69 MET HG3 H 1 2.243 0.02 . 2 . . . A 69 MET HG3 . 11440 1 790 . 1 1 69 69 MET HE1 H 1 2.108 0.02 . 1 . . . A 69 MET HE1 . 11440 1 791 . 1 1 69 69 MET HE2 H 1 2.108 0.02 . 1 . . . A 69 MET HE2 . 11440 1 792 . 1 1 69 69 MET HE3 H 1 2.108 0.02 . 1 . . . A 69 MET HE3 . 11440 1 793 . 1 1 69 69 MET C C 13 177.606 0.3 . 1 . . . A 69 MET C . 11440 1 794 . 1 1 69 69 MET CA C 13 56.121 0.3 . 1 . . . A 69 MET CA . 11440 1 795 . 1 1 69 69 MET CB C 13 32.2462 0.3 . 1 . . . A 69 MET CB . 11440 1 796 . 1 1 69 69 MET CG C 13 31.9512 0.3 . 1 . . . A 69 MET CG . 11440 1 797 . 1 1 69 69 MET CE C 13 16.7462 0.3 . 1 . . . A 69 MET CE . 11440 1 798 . 1 1 69 69 MET N N 15 115.96 0.4 . 1 . . . A 69 MET N . 11440 1 799 . 1 1 70 70 THR H H 1 7.808 0.02 . 1 . . . A 70 THR H . 11440 1 800 . 1 1 70 70 THR HA H 1 4.473 0.02 . 1 . . . A 70 THR HA . 11440 1 801 . 1 1 70 70 THR HB H 1 4.469 0.02 . 1 . . . A 70 THR HB . 11440 1 802 . 1 1 70 70 THR HG21 H 1 1.36 0.02 . 1 . . . A 70 THR HG21 . 11440 1 803 . 1 1 70 70 THR HG22 H 1 1.36 0.02 . 1 . . . A 70 THR HG22 . 11440 1 804 . 1 1 70 70 THR HG23 H 1 1.36 0.02 . 1 . . . A 70 THR HG23 . 11440 1 805 . 1 1 70 70 THR C C 13 174.343 0.3 . 1 . . . A 70 THR C . 11440 1 806 . 1 1 70 70 THR CA C 13 62.062 0.3 . 1 . . . A 70 THR CA . 11440 1 807 . 1 1 70 70 THR CB C 13 69.496 0.3 . 1 . . . A 70 THR CB . 11440 1 808 . 1 1 70 70 THR CG2 C 13 20.9192 0.3 . 1 . . . A 70 THR CG2 . 11440 1 809 . 1 1 70 70 THR N N 15 109.813 0.4 . 1 . . . A 70 THR N . 11440 1 810 . 1 1 71 71 ALA H H 1 7.685 0.02 . 1 . . . A 71 ALA H . 11440 1 811 . 1 1 71 71 ALA HA H 1 4.525 0.02 . 1 . . . A 71 ALA HA . 11440 1 812 . 1 1 71 71 ALA HB1 H 1 1.598 0.02 . 1 . . . A 71 ALA HB1 . 11440 1 813 . 1 1 71 71 ALA HB2 H 1 1.598 0.02 . 1 . . . A 71 ALA HB2 . 11440 1 814 . 1 1 71 71 ALA HB3 H 1 1.598 0.02 . 1 . . . A 71 ALA HB3 . 11440 1 815 . 1 1 71 71 ALA C C 13 176.659 0.3 . 1 . . . A 71 ALA C . 11440 1 816 . 1 1 71 71 ALA CA C 13 52.38 0.3 . 1 . . . A 71 ALA CA . 11440 1 817 . 1 1 71 71 ALA CB C 13 18.7462 0.3 . 1 . . . A 71 ALA CB . 11440 1 818 . 1 1 71 71 ALA N N 15 125.355 0.4 . 1 . . . A 71 ALA N . 11440 1 819 . 1 1 72 72 LYS H H 1 7.71 0.02 . 1 . . . A 72 LYS H . 11440 1 820 . 1 1 72 72 LYS HA H 1 4.31 0.02 . 1 . . . A 72 LYS HA . 11440 1 821 . 1 1 72 72 LYS HB2 H 1 2.001 0.02 . 2 . . . A 72 LYS HB2 . 11440 1 822 . 1 1 72 72 LYS HB3 H 1 1.883 0.02 . 2 . . . A 72 LYS HB3 . 11440 1 823 . 1 1 72 72 LYS HG2 H 1 1.6 0.02 . 2 . . . A 72 LYS HG2 . 11440 1 824 . 1 1 72 72 LYS HG3 H 1 1.6 0.02 . 2 . . . A 72 LYS HG3 . 11440 1 825 . 1 1 72 72 LYS C C 13 181.283 0.3 . 1 . . . A 72 LYS C . 11440 1 826 . 1 1 72 72 LYS CA C 13 57.065 0.3 . 1 . . . A 72 LYS CA . 11440 1 827 . 1 1 72 72 LYS CB C 13 33.1192 0.3 . 1 . . . A 72 LYS CB . 11440 1 828 . 1 1 72 72 LYS CG C 13 24.1772 0.3 . 1 . . . A 72 LYS CG . 11440 1 829 . 1 1 72 72 LYS CD C 13 28.3982 0.3 . 1 . . . A 72 LYS CD . 11440 1 830 . 1 1 72 72 LYS CE C 13 41.9352 0.3 . 1 . . . A 72 LYS CE . 11440 1 831 . 1 1 72 72 LYS N N 15 124.94 0.4 . 1 . . . A 72 LYS N . 11440 1 stop_ save_