data_7419 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7419 _Entry.Title ; SOLUTION STRUCTURE OF AMINO TERMINAL DOMAIN OF HUMAN DNA POLYMERASE EPSILON SUBUNIT B REVEALS ITS HOMOLOGY TO C-DOMAINS OF AAA PROTEINS. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-06 _Entry.Accession_date 2008-03-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 T. Nuutinen T. . . 7419 2 K. Fredriksson K. . . 7419 3 H. Tossavainen H. . . 7419 4 H. Pospiech H. . . 7419 5 P. Pirila P. . . 7419 6 P. Permi P. . . 7419 7 A. Annila A. . . 7419 8 J. Syvaoja J. E. . 7419 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'AAA PROTEIN' . 7419 'AMINO TERMINAL DOMAIN OF POLE2 PRODUCT' . 7419 'CHROMOSOMAL DNA REPLICATION' . 7419 'DNA POLYMERASE EPSILON' . 7419 'DNA REPAIR' . 7419 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7419 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 7419 '15N chemical shifts' 90 7419 '1H chemical shifts' 646 7419 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 3 . . 2010-05-24 2008-03-06 update BMRB 'update entity name' 7419 2 . . 2009-01-14 2008-03-06 update BMRB 'add the residue sequence' 7419 1 . . 2008-08-22 2008-03-06 original author 'original release' 7419 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2V6Z 'BMRB Entry Tracking System' 7419 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7419 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18676977 _Citation.Full_citation . _Citation.Title ; The solution structure of the amino-terminal domain of human DNA polymerase epsilon subunit B is homologous to C-domains of AAA+ proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _Citation.Journal_volume 36 _Citation.Journal_issue 15 _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 5102 _Citation.Page_last 5110 _Citation.Year 2008 _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 Tarmo Nuutinen . . . 7419 1 2 Helena Tossavainen . . . 7419 1 3 Kai Fredriksson . . . 7419 1 4 Paivi Pirila . . . 7419 1 5 Perttu Permi . . . 7419 1 6 Helmut Pospiech . . . 7419 1 7 Juhani Syvaoja . E. . 7419 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7419 _Assembly.ID 1 _Assembly.Name entity_1 _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 AAA_protein 1 $entity_1 A . yes native no no . . . 7419 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 7419 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AAA_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSQDPNSSSAR LQVDMAPERLRSRALSAFKL RGLLLRGEAIKYLTEALQSI SELELEDKLEKIINAVEKQP LSSNMIERSVVEAAVQESS ; _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 99 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2V6Z . "Solution Structure Of Amino Terminal Domain Of Human Dna Polymerase Epsilon Subunit B" . . . . . 100.00 99 100.00 100.00 4.87e-62 . . . . 7419 1 2 no DBJ BAG56707 . "unnamed protein product [Homo sapiens]" . . . . . 75.76 501 98.67 98.67 4.19e-38 . . . . 7419 1 3 no DBJ BAJ21084 . "polymerase (DNA directed), epsilon 2 [synthetic construct]" . . . . . 75.76 527 98.67 98.67 3.40e-38 . . . . 7419 1 4 no GB AAC39610 . "DNA polymerase epsilon small subunit [Homo sapiens]" . . . . . 75.76 527 98.67 98.67 3.40e-38 . . . . 7419 1 5 no GB AAC51920 . "DNA polymerase epsilon subunit B [Homo sapiens]" . . . . . 75.76 526 97.33 97.33 2.54e-37 . . . . 7419 1 6 no GB AAI12963 . "POLE2 protein [Homo sapiens]" . . . . . 75.76 502 98.67 98.67 4.56e-38 . . . . 7419 1 7 no GB AAI26219 . "Polymerase (DNA directed), epsilon 2 (p59 subunit) [Homo sapiens]" . . . . . 75.76 527 98.67 98.67 3.40e-38 . . . . 7419 1 8 no GB AAI26221 . "Polymerase (DNA directed), epsilon 2 (p59 subunit) [Homo sapiens]" . . . . . 75.76 527 98.67 98.67 3.40e-38 . . . . 7419 1 9 no REF NP_001184259 . "DNA polymerase epsilon subunit 2 isoform 2 [Homo sapiens]" . . . . . 75.76 501 98.67 98.67 4.19e-38 . . . . 7419 1 10 no REF NP_001184260 . "DNA polymerase epsilon subunit 2 isoform 3 [Homo sapiens]" . . . . . 75.76 502 98.67 98.67 4.56e-38 . . . . 7419 1 11 no REF NP_002683 . "DNA polymerase epsilon subunit 2 isoform 1 [Homo sapiens]" . . . . . 75.76 527 98.67 98.67 3.40e-38 . . . . 7419 1 12 no REF XP_003267698 . "PREDICTED: DNA polymerase epsilon subunit 2 isoform 1 [Nomascus leucogenys]" . . . . . 75.76 527 97.33 98.67 2.12e-37 . . . . 7419 1 13 no REF XP_003267699 . "PREDICTED: DNA polymerase epsilon subunit 2 isoform 2 [Nomascus leucogenys]" . . . . . 75.76 501 97.33 98.67 2.35e-37 . . . . 7419 1 14 no SP P56282 . "RecName: Full=DNA polymerase epsilon subunit 2; AltName: Full=DNA polymerase II subunit 2; AltName: Full=DNA polymerase epsilon" . . . . . 75.76 527 98.67 98.67 3.40e-38 . . . . 7419 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 . 7419 1 2 . GLY . 7419 1 3 . SER . 7419 1 4 . SER . 7419 1 5 . HIS . 7419 1 6 . HIS . 7419 1 7 . HIS . 7419 1 8 . HIS . 7419 1 9 . HIS . 7419 1 10 . HIS . 7419 1 11 . SER . 7419 1 12 . GLN . 7419 1 13 . ASP . 7419 1 14 . PRO . 7419 1 15 . ASN . 7419 1 16 . SER . 7419 1 17 . SER . 7419 1 18 . SER . 7419 1 19 . ALA . 7419 1 20 . ARG . 7419 1 21 . LEU . 7419 1 22 . GLN . 7419 1 23 . VAL . 7419 1 24 . ASP . 7419 1 25 . MET . 7419 1 26 . ALA . 7419 1 27 . PRO . 7419 1 28 . GLU . 7419 1 29 . ARG . 7419 1 30 . LEU . 7419 1 31 . ARG . 7419 1 32 . SER . 7419 1 33 . ARG . 7419 1 34 . ALA . 7419 1 35 . LEU . 7419 1 36 . SER . 7419 1 37 . ALA . 7419 1 38 . PHE . 7419 1 39 . LYS . 7419 1 40 . LEU . 7419 1 41 . ARG . 7419 1 42 . GLY . 7419 1 43 . LEU . 7419 1 44 . LEU . 7419 1 45 . LEU . 7419 1 46 . ARG . 7419 1 47 . GLY . 7419 1 48 . GLU . 7419 1 49 . ALA . 7419 1 50 . ILE . 7419 1 51 . LYS . 7419 1 52 . TYR . 7419 1 53 . LEU . 7419 1 54 . THR . 7419 1 55 . GLU . 7419 1 56 . ALA . 7419 1 57 . LEU . 7419 1 58 . GLN . 7419 1 59 . SER . 7419 1 60 . ILE . 7419 1 61 . SER . 7419 1 62 . GLU . 7419 1 63 . LEU . 7419 1 64 . GLU . 7419 1 65 . LEU . 7419 1 66 . GLU . 7419 1 67 . ASP . 7419 1 68 . LYS . 7419 1 69 . LEU . 7419 1 70 . GLU . 7419 1 71 . LYS . 7419 1 72 . ILE . 7419 1 73 . ILE . 7419 1 74 . ASN . 7419 1 75 . ALA . 7419 1 76 . VAL . 7419 1 77 . GLU . 7419 1 78 . LYS . 7419 1 79 . GLN . 7419 1 80 . PRO . 7419 1 81 . LEU . 7419 1 82 . SER . 7419 1 83 . SER . 7419 1 84 . ASN . 7419 1 85 . MET . 7419 1 86 . ILE . 7419 1 87 . GLU . 7419 1 88 . ARG . 7419 1 89 . SER . 7419 1 90 . VAL . 7419 1 91 . VAL . 7419 1 92 . GLU . 7419 1 93 . ALA . 7419 1 94 . ALA . 7419 1 95 . VAL . 7419 1 96 . GLN . 7419 1 97 . GLU . 7419 1 98 . SER . 7419 1 99 . SER . 7419 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 7419 1 . GLY 2 2 7419 1 . SER 3 3 7419 1 . SER 4 4 7419 1 . HIS 5 5 7419 1 . HIS 6 6 7419 1 . HIS 7 7 7419 1 . HIS 8 8 7419 1 . HIS 9 9 7419 1 . HIS 10 10 7419 1 . SER 11 11 7419 1 . GLN 12 12 7419 1 . ASP 13 13 7419 1 . PRO 14 14 7419 1 . ASN 15 15 7419 1 . SER 16 16 7419 1 . SER 17 17 7419 1 . SER 18 18 7419 1 . ALA 19 19 7419 1 . ARG 20 20 7419 1 . LEU 21 21 7419 1 . GLN 22 22 7419 1 . VAL 23 23 7419 1 . ASP 24 24 7419 1 . MET 25 25 7419 1 . ALA 26 26 7419 1 . PRO 27 27 7419 1 . GLU 28 28 7419 1 . ARG 29 29 7419 1 . LEU 30 30 7419 1 . ARG 31 31 7419 1 . SER 32 32 7419 1 . ARG 33 33 7419 1 . ALA 34 34 7419 1 . LEU 35 35 7419 1 . SER 36 36 7419 1 . ALA 37 37 7419 1 . PHE 38 38 7419 1 . LYS 39 39 7419 1 . LEU 40 40 7419 1 . ARG 41 41 7419 1 . GLY 42 42 7419 1 . LEU 43 43 7419 1 . LEU 44 44 7419 1 . LEU 45 45 7419 1 . ARG 46 46 7419 1 . GLY 47 47 7419 1 . GLU 48 48 7419 1 . ALA 49 49 7419 1 . ILE 50 50 7419 1 . LYS 51 51 7419 1 . TYR 52 52 7419 1 . LEU 53 53 7419 1 . THR 54 54 7419 1 . GLU 55 55 7419 1 . ALA 56 56 7419 1 . LEU 57 57 7419 1 . GLN 58 58 7419 1 . SER 59 59 7419 1 . ILE 60 60 7419 1 . SER 61 61 7419 1 . GLU 62 62 7419 1 . LEU 63 63 7419 1 . GLU 64 64 7419 1 . LEU 65 65 7419 1 . GLU 66 66 7419 1 . ASP 67 67 7419 1 . LYS 68 68 7419 1 . LEU 69 69 7419 1 . GLU 70 70 7419 1 . LYS 71 71 7419 1 . ILE 72 72 7419 1 . ILE 73 73 7419 1 . ASN 74 74 7419 1 . ALA 75 75 7419 1 . VAL 76 76 7419 1 . GLU 77 77 7419 1 . LYS 78 78 7419 1 . GLN 79 79 7419 1 . PRO 80 80 7419 1 . LEU 81 81 7419 1 . SER 82 82 7419 1 . SER 83 83 7419 1 . ASN 84 84 7419 1 . MET 85 85 7419 1 . ILE 86 86 7419 1 . GLU 87 87 7419 1 . ARG 88 88 7419 1 . SER 89 89 7419 1 . VAL 90 90 7419 1 . VAL 91 91 7419 1 . GLU 92 92 7419 1 . ALA 93 93 7419 1 . ALA 94 94 7419 1 . VAL 95 95 7419 1 . GLN 96 96 7419 1 . GLU 97 97 7419 1 . SER 98 98 7419 1 . SER 99 99 7419 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 7419 _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_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7419 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 7419 _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_1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7419 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 7419 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 93%WATER/7%D2O _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . . . . . . . . mM . . . . 7419 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 7419 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.62 . pH 7419 1 pressure 1.0 . atm 7419 1 temperature 298.0 . K 7419 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7419 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7419 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 7419 _Software.ID 2 _Software.Name AMBER _Software.Version 8 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7419 2 stop_ save_ save_PROCHECK-_NMR _Software.Sf_category software _Software.Sf_framecode PROCHECK-_NMR _Software.Entry_ID 7419 _Software.ID 3 _Software.Name ProcheckNMR _Software.Version NMR _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7419 3 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 7419 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITYINOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_800 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 800 _NMR_spectrometer_list.Entry_ID 7419 _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 VARIAN UNITYINOVA . 800 . . . 7419 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 7419 _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 HNCA no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7419 1 2 HNCACB no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7419 1 3 HNCOCACB no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7419 1 4 HNCO no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7419 1 5 HCCONH no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7419 1 6 CCCONH no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7419 1 7 HCCH-COSY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7419 1 8 NOESY-HSQC no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7419 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 7419 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . . . . . . . 7419 1 H 1 . . . . . . ppm . . . . . . . . . . . . . 7419 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 7419 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 7419 _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 HNCA . . . 7419 1 2 HNCACB . . . 7419 1 3 HNCOCACB . . . 7419 1 4 HNCO . . . 7419 1 5 HCCONH . . . 7419 1 6 CCCONH . . . 7419 1 7 HCCH-COSY . . . 7419 1 8 NOESY-HSQC . . . 7419 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 11 11 SER HA H 1 4.41 0.02 . 1 . . . . 11 SER HA . 7419 1 2 . 1 1 11 11 SER HB2 H 1 3.87 0.02 . 1 . . . . 11 SER HB2 . 7419 1 3 . 1 1 11 11 SER HB3 H 1 3.87 0.02 . 1 . . . . 11 SER HB3 . 7419 1 4 . 1 1 11 11 SER C C 13 174.34 0.20 . 1 . . . . 11 SER C . 7419 1 5 . 1 1 11 11 SER CA C 13 58.57 0.20 . 1 . . . . 11 SER CA . 7419 1 6 . 1 1 11 11 SER CB C 13 63.86 0.20 . 1 . . . . 11 SER CB . 7419 1 7 . 1 1 12 12 GLN H H 1 8.48 0.02 . 1 . . . . 12 GLN H . 7419 1 8 . 1 1 12 12 GLN HA H 1 4.38 0.02 . 1 . . . . 12 GLN HA . 7419 1 9 . 1 1 12 12 GLN HB2 H 1 2.12 0.02 . 2 . . . . 12 GLN HB2 . 7419 1 10 . 1 1 12 12 GLN HB3 H 1 2.02 0.02 . 2 . . . . 12 GLN HB3 . 7419 1 11 . 1 1 12 12 GLN HG2 H 1 2.36 0.02 . 1 . . . . 12 GLN HG2 . 7419 1 12 . 1 1 12 12 GLN HG3 H 1 2.36 0.02 . 1 . . . . 12 GLN HG3 . 7419 1 13 . 1 1 12 12 GLN C C 13 175.35 0.20 . 1 . . . . 12 GLN C . 7419 1 14 . 1 1 12 12 GLN CA C 13 55.68 0.20 . 1 . . . . 12 GLN CA . 7419 1 15 . 1 1 12 12 GLN CB C 13 29.56 0.20 . 1 . . . . 12 GLN CB . 7419 1 16 . 1 1 12 12 GLN CG C 13 33.79 0.20 . 1 . . . . 12 GLN CG . 7419 1 17 . 1 1 12 12 GLN N N 15 121.99 0.20 . 1 . . . . 12 GLN N . 7419 1 18 . 1 1 13 13 ASP H H 1 8.36 0.02 . 1 . . . . 13 ASP H . 7419 1 19 . 1 1 13 13 ASP HA H 1 4.85 0.02 . 1 . . . . 13 ASP HA . 7419 1 20 . 1 1 13 13 ASP HB2 H 1 2.79 0.02 . 2 . . . . 13 ASP HB2 . 7419 1 21 . 1 1 13 13 ASP HB3 H 1 2.60 0.02 . 2 . . . . 13 ASP HB3 . 7419 1 22 . 1 1 13 13 ASP CA C 13 52.19 0.20 . 1 . . . . 13 ASP CA . 7419 1 23 . 1 1 13 13 ASP CB C 13 41.31 0.20 . 1 . . . . 13 ASP CB . 7419 1 24 . 1 1 13 13 ASP N N 15 123.31 0.20 . 1 . . . . 13 ASP N . 7419 1 25 . 1 1 14 14 PRO HA H 1 4.43 0.02 . 1 . . . . 14 PRO HA . 7419 1 26 . 1 1 14 14 PRO HB2 H 1 2.31 0.02 . 2 . . . . 14 PRO HB2 . 7419 1 27 . 1 1 14 14 PRO HB3 H 1 1.97 0.02 . 2 . . . . 14 PRO HB3 . 7419 1 28 . 1 1 14 14 PRO HD2 H 1 3.86 0.02 . 1 . . . . 14 PRO HD2 . 7419 1 29 . 1 1 14 14 PRO HD3 H 1 3.86 0.02 . 1 . . . . 14 PRO HD3 . 7419 1 30 . 1 1 14 14 PRO HG2 H 1 2.01 0.02 . 1 . . . . 14 PRO HG2 . 7419 1 31 . 1 1 14 14 PRO HG3 H 1 2.01 0.02 . 1 . . . . 14 PRO HG3 . 7419 1 32 . 1 1 14 14 PRO C C 13 177.17 0.20 . 1 . . . . 14 PRO C . 7419 1 33 . 1 1 14 14 PRO CA C 13 63.86 0.20 . 1 . . . . 14 PRO CA . 7419 1 34 . 1 1 14 14 PRO CB C 13 32.09 0.20 . 1 . . . . 14 PRO CB . 7419 1 35 . 1 1 14 14 PRO CD C 13 50.91 0.20 . 1 . . . . 14 PRO CD . 7419 1 36 . 1 1 14 14 PRO CG C 13 27.05 0.20 . 1 . . . . 14 PRO CG . 7419 1 37 . 1 1 15 15 ASN H H 1 8.55 0.02 . 1 . . . . 15 ASN H . 7419 1 38 . 1 1 15 15 ASN HA H 1 4.75 0.02 . 1 . . . . 15 ASN HA . 7419 1 39 . 1 1 15 15 ASN HB2 H 1 2.89 0.02 . 2 . . . . 15 ASN HB2 . 7419 1 40 . 1 1 15 15 ASN HB3 H 1 2.80 0.02 . 2 . . . . 15 ASN HB3 . 7419 1 41 . 1 1 15 15 ASN C C 13 175.58 0.20 . 1 . . . . 15 ASN C . 7419 1 42 . 1 1 15 15 ASN CA C 13 53.57 0.20 . 1 . . . . 15 ASN CA . 7419 1 43 . 1 1 15 15 ASN CB C 13 38.83 0.20 . 1 . . . . 15 ASN CB . 7419 1 44 . 1 1 15 15 ASN N N 15 117.35 0.20 . 1 . . . . 15 ASN N . 7419 1 45 . 1 1 16 16 SER H H 1 8.01 0.02 . 1 . . . . 16 SER H . 7419 1 46 . 1 1 16 16 SER HA H 1 4.46 0.02 . 1 . . . . 16 SER HA . 7419 1 47 . 1 1 16 16 SER HB2 H 1 3.95 0.02 . 1 . . . . 16 SER HB2 . 7419 1 48 . 1 1 16 16 SER HB3 H 1 3.95 0.02 . 1 . . . . 16 SER HB3 . 7419 1 49 . 1 1 16 16 SER C C 13 174.96 0.20 . 1 . . . . 16 SER C . 7419 1 50 . 1 1 16 16 SER CA C 13 58.77 0.20 . 1 . . . . 16 SER CA . 7419 1 51 . 1 1 16 16 SER CB C 13 63.85 0.20 . 1 . . . . 16 SER CB . 7419 1 52 . 1 1 16 16 SER N N 15 115.74 0.20 . 1 . . . . 16 SER N . 7419 1 53 . 1 1 17 17 SER H H 1 8.39 0.02 . 1 . . . . 17 SER H . 7419 1 54 . 1 1 17 17 SER HA H 1 4.50 0.02 . 1 . . . . 17 SER HA . 7419 1 55 . 1 1 17 17 SER HB2 H 1 3.97 0.02 . 2 . . . . 17 SER HB2 . 7419 1 56 . 1 1 17 17 SER HB3 H 1 3.93 0.02 . 2 . . . . 17 SER HB3 . 7419 1 57 . 1 1 17 17 SER C C 13 175.02 0.20 . 1 . . . . 17 SER C . 7419 1 58 . 1 1 17 17 SER CA C 13 58.88 0.20 . 1 . . . . 17 SER CA . 7419 1 59 . 1 1 17 17 SER CB C 13 63.70 0.20 . 1 . . . . 17 SER CB . 7419 1 60 . 1 1 17 17 SER N N 15 117.89 0.20 . 1 . . . . 17 SER N . 7419 1 61 . 1 1 18 18 SER H H 1 8.28 0.02 . 1 . . . . 18 SER H . 7419 1 62 . 1 1 18 18 SER HA H 1 4.44 0.02 . 1 . . . . 18 SER HA . 7419 1 63 . 1 1 18 18 SER HB2 H 1 3.91 0.02 . 1 . . . . 18 SER HB2 . 7419 1 64 . 1 1 18 18 SER HB3 H 1 3.91 0.02 . 1 . . . . 18 SER HB3 . 7419 1 65 . 1 1 18 18 SER C C 13 174.53 0.20 . 1 . . . . 18 SER C . 7419 1 66 . 1 1 18 18 SER CA C 13 58.81 0.20 . 1 . . . . 18 SER CA . 7419 1 67 . 1 1 18 18 SER CB C 13 63.67 0.20 . 1 . . . . 18 SER CB . 7419 1 68 . 1 1 18 18 SER N N 15 117.62 0.20 . 1 . . . . 18 SER N . 7419 1 69 . 1 1 19 19 ALA H H 1 8.16 0.02 . 1 . . . . 19 ALA H . 7419 1 70 . 1 1 19 19 ALA HA H 1 4.32 0.02 . 1 . . . . 19 ALA HA . 7419 1 71 . 1 1 19 19 ALA HB1 H 1 1.40 0.02 . 1 . . . . 19 ALA HB . 7419 1 72 . 1 1 19 19 ALA HB2 H 1 1.40 0.02 . 1 . . . . 19 ALA HB . 7419 1 73 . 1 1 19 19 ALA HB3 H 1 1.40 0.02 . 1 . . . . 19 ALA HB . 7419 1 74 . 1 1 19 19 ALA C C 13 177.80 0.20 . 1 . . . . 19 ALA C . 7419 1 75 . 1 1 19 19 ALA CA C 13 52.93 0.20 . 1 . . . . 19 ALA CA . 7419 1 76 . 1 1 19 19 ALA CB C 13 19.16 0.20 . 1 . . . . 19 ALA CB . 7419 1 77 . 1 1 19 19 ALA N N 15 125.71 0.20 . 1 . . . . 19 ALA N . 7419 1 78 . 1 1 20 20 ARG H H 1 8.14 0.02 . 1 . . . . 20 ARG H . 7419 1 79 . 1 1 20 20 ARG HA H 1 4.32 0.02 . 1 . . . . 20 ARG HA . 7419 1 80 . 1 1 20 20 ARG HB2 H 1 1.87 0.02 . 2 . . . . 20 ARG HB2 . 7419 1 81 . 1 1 20 20 ARG HB3 H 1 1.79 0.02 . 2 . . . . 20 ARG HB3 . 7419 1 82 . 1 1 20 20 ARG HD2 H 1 3.22 0.02 . 1 . . . . 20 ARG HD2 . 7419 1 83 . 1 1 20 20 ARG HD3 H 1 3.22 0.02 . 1 . . . . 20 ARG HD3 . 7419 1 84 . 1 1 20 20 ARG HG2 H 1 1.65 0.02 . 1 . . . . 20 ARG HG2 . 7419 1 85 . 1 1 20 20 ARG HG3 H 1 1.65 0.02 . 1 . . . . 20 ARG HG3 . 7419 1 86 . 1 1 20 20 ARG C C 13 176.26 0.20 . 1 . . . . 20 ARG C . 7419 1 87 . 1 1 20 20 ARG CA C 13 56.23 0.20 . 1 . . . . 20 ARG CA . 7419 1 88 . 1 1 20 20 ARG CB C 13 30.71 0.20 . 1 . . . . 20 ARG CB . 7419 1 89 . 1 1 20 20 ARG CD C 13 43.36 0.20 . 1 . . . . 20 ARG CD . 7419 1 90 . 1 1 20 20 ARG CG C 13 27.11 0.20 . 1 . . . . 20 ARG CG . 7419 1 91 . 1 1 20 20 ARG N N 15 119.69 0.20 . 1 . . . . 20 ARG N . 7419 1 92 . 1 1 21 21 LEU H H 1 8.18 0.02 . 1 . . . . 21 LEU H . 7419 1 93 . 1 1 21 21 LEU HA H 1 4.35 0.02 . 1 . . . . 21 LEU HA . 7419 1 94 . 1 1 21 21 LEU HB2 H 1 1.67 0.02 . 2 . . . . 21 LEU HB2 . 7419 1 95 . 1 1 21 21 LEU HB3 H 1 1.59 0.02 . 2 . . . . 21 LEU HB3 . 7419 1 96 . 1 1 21 21 LEU HD11 H 1 0.94 0.02 . 2 . . . . 21 LEU HD1 . 7419 1 97 . 1 1 21 21 LEU HD12 H 1 0.94 0.02 . 2 . . . . 21 LEU HD1 . 7419 1 98 . 1 1 21 21 LEU HD13 H 1 0.94 0.02 . 2 . . . . 21 LEU HD1 . 7419 1 99 . 1 1 21 21 LEU HD21 H 1 0.87 0.02 . 2 . . . . 21 LEU HD2 . 7419 1 100 . 1 1 21 21 LEU HD22 H 1 0.87 0.02 . 2 . . . . 21 LEU HD2 . 7419 1 101 . 1 1 21 21 LEU HD23 H 1 0.87 0.02 . 2 . . . . 21 LEU HD2 . 7419 1 102 . 1 1 21 21 LEU HG H 1 1.63 0.02 . 1 . . . . 21 LEU HG . 7419 1 103 . 1 1 21 21 LEU C C 13 177.17 0.20 . 1 . . . . 21 LEU C . 7419 1 104 . 1 1 21 21 LEU CA C 13 55.30 0.20 . 1 . . . . 21 LEU CA . 7419 1 105 . 1 1 21 21 LEU CB C 13 42.44 0.20 . 1 . . . . 21 LEU CB . 7419 1 106 . 1 1 21 21 LEU CD1 C 13 24.95 0.20 . 2 . . . . 21 LEU CD1 . 7419 1 107 . 1 1 21 21 LEU CD2 C 13 23.57 0.20 . 2 . . . . 21 LEU CD2 . 7419 1 108 . 1 1 21 21 LEU CG C 13 26.98 0.20 . 1 . . . . 21 LEU CG . 7419 1 109 . 1 1 21 21 LEU N N 15 123.03 0.20 . 1 . . . . 21 LEU N . 7419 1 110 . 1 1 22 22 GLN H H 1 8.32 0.02 . 1 . . . . 22 GLN H . 7419 1 111 . 1 1 22 22 GLN HA H 1 4.38 0.02 . 1 . . . . 22 GLN HA . 7419 1 112 . 1 1 22 22 GLN HB2 H 1 2.11 0.02 . 2 . . . . 22 GLN HB2 . 7419 1 113 . 1 1 22 22 GLN HB3 H 1 1.96 0.02 . 2 . . . . 22 GLN HB3 . 7419 1 114 . 1 1 22 22 GLN HG2 H 1 2.36 0.02 . 1 . . . . 22 GLN HG2 . 7419 1 115 . 1 1 22 22 GLN HG3 H 1 2.36 0.02 . 1 . . . . 22 GLN HG3 . 7419 1 116 . 1 1 22 22 GLN C C 13 175.75 0.20 . 1 . . . . 22 GLN C . 7419 1 117 . 1 1 22 22 GLN CA C 13 55.79 0.20 . 1 . . . . 22 GLN CA . 7419 1 118 . 1 1 22 22 GLN CB C 13 29.44 0.20 . 1 . . . . 22 GLN CB . 7419 1 119 . 1 1 22 22 GLN CG C 13 33.79 0.20 . 1 . . . . 22 GLN CG . 7419 1 120 . 1 1 22 22 GLN N N 15 121.68 0.20 . 1 . . . . 22 GLN N . 7419 1 121 . 1 1 23 23 VAL H H 1 8.11 0.02 . 1 . . . . 23 VAL H . 7419 1 122 . 1 1 23 23 VAL HA H 1 4.17 0.02 . 1 . . . . 23 VAL HA . 7419 1 123 . 1 1 23 23 VAL HB H 1 2.12 0.02 . 1 . . . . 23 VAL HB . 7419 1 124 . 1 1 23 23 VAL HG11 H 1 0.94 0.02 . 1 . . . . 23 VAL HG1 . 7419 1 125 . 1 1 23 23 VAL HG12 H 1 0.94 0.02 . 1 . . . . 23 VAL HG1 . 7419 1 126 . 1 1 23 23 VAL HG13 H 1 0.94 0.02 . 1 . . . . 23 VAL HG1 . 7419 1 127 . 1 1 23 23 VAL HG21 H 1 0.94 0.02 . 1 . . . . 23 VAL HG2 . 7419 1 128 . 1 1 23 23 VAL HG22 H 1 0.94 0.02 . 1 . . . . 23 VAL HG2 . 7419 1 129 . 1 1 23 23 VAL HG23 H 1 0.94 0.02 . 1 . . . . 23 VAL HG2 . 7419 1 130 . 1 1 23 23 VAL C C 13 175.69 0.20 . 1 . . . . 23 VAL C . 7419 1 131 . 1 1 23 23 VAL CA C 13 62.14 0.20 . 1 . . . . 23 VAL CA . 7419 1 132 . 1 1 23 23 VAL CB C 13 33.06 0.20 . 1 . . . . 23 VAL CB . 7419 1 133 . 1 1 23 23 VAL CG1 C 13 20.30 0.20 . 2 . . . . 23 VAL CG1 . 7419 1 134 . 1 1 23 23 VAL CG2 C 13 21.27 0.20 . 2 . . . . 23 VAL CG2 . 7419 1 135 . 1 1 23 23 VAL N N 15 121.24 0.20 . 1 . . . . 23 VAL N . 7419 1 136 . 1 1 24 24 ASP H H 1 8.39 0.02 . 1 . . . . 24 ASP H . 7419 1 137 . 1 1 24 24 ASP HA H 1 4.64 0.02 . 1 . . . . 24 ASP HA . 7419 1 138 . 1 1 24 24 ASP HB2 H 1 2.75 0.02 . 2 . . . . 24 ASP HB2 . 7419 1 139 . 1 1 24 24 ASP HB3 H 1 2.61 0.02 . 2 . . . . 24 ASP HB3 . 7419 1 140 . 1 1 24 24 ASP C C 13 176.32 0.20 . 1 . . . . 24 ASP C . 7419 1 141 . 1 1 24 24 ASP CA C 13 54.61 0.20 . 1 . . . . 24 ASP CA . 7419 1 142 . 1 1 24 24 ASP CB C 13 41.34 0.20 . 1 . . . . 24 ASP CB . 7419 1 143 . 1 1 24 24 ASP N N 15 124.01 0.20 . 1 . . . . 24 ASP N . 7419 1 144 . 1 1 25 25 MET H H 1 8.59 0.02 . 1 . . . . 25 MET H . 7419 1 145 . 1 1 25 25 MET HA H 1 4.51 0.02 . 1 . . . . 25 MET HA . 7419 1 146 . 1 1 25 25 MET HB2 H 1 2.08 0.02 . 2 . . . . 25 MET HB2 . 7419 1 147 . 1 1 25 25 MET HB3 H 1 2.05 0.02 . 2 . . . . 25 MET HB3 . 7419 1 148 . 1 1 25 25 MET HE1 H 1 2.04 0.02 . 1 . . . . 25 MET HE . 7419 1 149 . 1 1 25 25 MET HE2 H 1 2.04 0.02 . 1 . . . . 25 MET HE . 7419 1 150 . 1 1 25 25 MET HE3 H 1 2.04 0.02 . 1 . . . . 25 MET HE . 7419 1 151 . 1 1 25 25 MET HG2 H 1 2.59 0.02 . 1 . . . . 25 MET HG2 . 7419 1 152 . 1 1 25 25 MET HG3 H 1 2.59 0.02 . 1 . . . . 25 MET HG3 . 7419 1 153 . 1 1 25 25 MET C C 13 175.68 0.20 . 1 . . . . 25 MET C . 7419 1 154 . 1 1 25 25 MET CA C 13 55.08 0.20 . 1 . . . . 25 MET CA . 7419 1 155 . 1 1 25 25 MET CB C 13 33.29 0.20 . 1 . . . . 25 MET CB . 7419 1 156 . 1 1 25 25 MET CE C 13 16.83 0.20 . 1 . . . . 25 MET CE . 7419 1 157 . 1 1 25 25 MET CG C 13 32.19 0.20 . 1 . . . . 25 MET CG . 7419 1 158 . 1 1 25 25 MET N N 15 121.02 0.20 . 1 . . . . 25 MET N . 7419 1 159 . 1 1 26 26 ALA H H 1 8.45 0.02 . 1 . . . . 26 ALA H . 7419 1 160 . 1 1 26 26 ALA HA H 1 4.53 0.02 . 1 . . . . 26 ALA HA . 7419 1 161 . 1 1 26 26 ALA HB1 H 1 1.52 0.02 . 1 . . . . 26 ALA HB . 7419 1 162 . 1 1 26 26 ALA HB2 H 1 1.52 0.02 . 1 . . . . 26 ALA HB . 7419 1 163 . 1 1 26 26 ALA HB3 H 1 1.52 0.02 . 1 . . . . 26 ALA HB . 7419 1 164 . 1 1 26 26 ALA CA C 13 51.87 0.20 . 1 . . . . 26 ALA CA . 7419 1 165 . 1 1 26 26 ALA CB C 13 17.71 0.20 . 1 . . . . 26 ALA CB . 7419 1 166 . 1 1 26 26 ALA N N 15 126.86 0.20 . 1 . . . . 26 ALA N . 7419 1 167 . 1 1 27 27 PRO HA H 1 4.26 0.02 . 1 . . . . 27 PRO HA . 7419 1 168 . 1 1 27 27 PRO HB2 H 1 2.35 0.02 . 2 . . . . 27 PRO HB2 . 7419 1 169 . 1 1 27 27 PRO HB3 H 1 1.96 0.02 . 2 . . . . 27 PRO HB3 . 7419 1 170 . 1 1 27 27 PRO HD2 H 1 3.91 0.02 . 2 . . . . 27 PRO HD2 . 7419 1 171 . 1 1 27 27 PRO HD3 H 1 3.81 0.02 . 2 . . . . 27 PRO HD3 . 7419 1 172 . 1 1 27 27 PRO HG2 H 1 2.18 0.02 . 2 . . . . 27 PRO HG2 . 7419 1 173 . 1 1 27 27 PRO HG3 H 1 2.07 0.02 . 2 . . . . 27 PRO HG3 . 7419 1 174 . 1 1 27 27 PRO C C 13 178.45 0.20 . 1 . . . . 27 PRO C . 7419 1 175 . 1 1 27 27 PRO CA C 13 65.50 0.20 . 1 . . . . 27 PRO CA . 7419 1 176 . 1 1 27 27 PRO CB C 13 31.74 0.20 . 1 . . . . 27 PRO CB . 7419 1 177 . 1 1 27 27 PRO CD C 13 50.60 0.20 . 1 . . . . 27 PRO CD . 7419 1 178 . 1 1 27 27 PRO CG C 13 27.83 0.20 . 1 . . . . 27 PRO CG . 7419 1 179 . 1 1 28 28 GLU H H 1 8.85 0.02 . 1 . . . . 28 GLU H . 7419 1 180 . 1 1 28 28 GLU HA H 1 4.09 0.02 . 1 . . . . 28 GLU HA . 7419 1 181 . 1 1 28 28 GLU HB2 H 1 2.07 0.02 . 1 . . . . 28 GLU HB2 . 7419 1 182 . 1 1 28 28 GLU HB3 H 1 2.07 0.02 . 1 . . . . 28 GLU HB3 . 7419 1 183 . 1 1 28 28 GLU HG2 H 1 2.35 0.02 . 1 . . . . 28 GLU HG2 . 7419 1 184 . 1 1 28 28 GLU HG3 H 1 2.35 0.02 . 1 . . . . 28 GLU HG3 . 7419 1 185 . 1 1 28 28 GLU C C 13 178.76 0.20 . 1 . . . . 28 GLU C . 7419 1 186 . 1 1 28 28 GLU CA C 13 59.20 0.20 . 1 . . . . 28 GLU CA . 7419 1 187 . 1 1 28 28 GLU CB C 13 28.89 0.20 . 1 . . . . 28 GLU CB . 7419 1 188 . 1 1 28 28 GLU CG C 13 36.18 0.20 . 1 . . . . 28 GLU CG . 7419 1 189 . 1 1 28 28 GLU N N 15 117.17 0.20 . 1 . . . . 28 GLU N . 7419 1 190 . 1 1 29 29 ARG H H 1 7.65 0.02 . 1 . . . . 29 ARG H . 7419 1 191 . 1 1 29 29 ARG HA H 1 4.22 0.02 . 1 . . . . 29 ARG HA . 7419 1 192 . 1 1 29 29 ARG HB2 H 1 1.98 0.02 . 1 . . . . 29 ARG HB2 . 7419 1 193 . 1 1 29 29 ARG HB3 H 1 1.98 0.02 . 1 . . . . 29 ARG HB3 . 7419 1 194 . 1 1 29 29 ARG HD2 H 1 3.29 0.02 . 1 . . . . 29 ARG HD2 . 7419 1 195 . 1 1 29 29 ARG HD3 H 1 3.29 0.02 . 1 . . . . 29 ARG HD3 . 7419 1 196 . 1 1 29 29 ARG HE H 1 7.64 0.02 . 1 . . . . 29 ARG HE . 7419 1 197 . 1 1 29 29 ARG HG2 H 1 1.76 0.02 . 2 . . . . 29 ARG HG2 . 7419 1 198 . 1 1 29 29 ARG HG3 H 1 1.65 0.02 . 2 . . . . 29 ARG HG3 . 7419 1 199 . 1 1 29 29 ARG C C 13 178.13 0.20 . 1 . . . . 29 ARG C . 7419 1 200 . 1 1 29 29 ARG CA C 13 58.43 0.20 . 1 . . . . 29 ARG CA . 7419 1 201 . 1 1 29 29 ARG CB C 13 30.14 0.20 . 1 . . . . 29 ARG CB . 7419 1 202 . 1 1 29 29 ARG CD C 13 43.24 0.20 . 1 . . . . 29 ARG CD . 7419 1 203 . 1 1 29 29 ARG CG C 13 27.52 0.20 . 1 . . . . 29 ARG CG . 7419 1 204 . 1 1 29 29 ARG N N 15 120.69 0.20 . 1 . . . . 29 ARG N . 7419 1 205 . 1 1 30 30 LEU H H 1 7.90 0.02 . 1 . . . . 30 LEU H . 7419 1 206 . 1 1 30 30 LEU HA H 1 3.95 0.02 . 1 . . . . 30 LEU HA . 7419 1 207 . 1 1 30 30 LEU HB2 H 1 1.74 0.02 . 2 . . . . 30 LEU HB2 . 7419 1 208 . 1 1 30 30 LEU HB3 H 1 1.67 0.02 . 2 . . . . 30 LEU HB3 . 7419 1 209 . 1 1 30 30 LEU HD11 H 1 0.91 0.02 . 1 . . . . 30 LEU HD1 . 7419 1 210 . 1 1 30 30 LEU HD12 H 1 0.91 0.02 . 1 . . . . 30 LEU HD1 . 7419 1 211 . 1 1 30 30 LEU HD13 H 1 0.91 0.02 . 1 . . . . 30 LEU HD1 . 7419 1 212 . 1 1 30 30 LEU HD21 H 1 0.91 0.02 . 1 . . . . 30 LEU HD2 . 7419 1 213 . 1 1 30 30 LEU HD22 H 1 0.91 0.02 . 1 . . . . 30 LEU HD2 . 7419 1 214 . 1 1 30 30 LEU HD23 H 1 0.91 0.02 . 1 . . . . 30 LEU HD2 . 7419 1 215 . 1 1 30 30 LEU HG H 1 1.57 0.02 . 1 . . . . 30 LEU HG . 7419 1 216 . 1 1 30 30 LEU C C 13 177.97 0.20 . 1 . . . . 30 LEU C . 7419 1 217 . 1 1 30 30 LEU CA C 13 58.58 0.20 . 1 . . . . 30 LEU CA . 7419 1 218 . 1 1 30 30 LEU CB C 13 42.15 0.20 . 1 . . . . 30 LEU CB . 7419 1 219 . 1 1 30 30 LEU CD1 C 13 25.64 0.20 . 2 . . . . 30 LEU CD1 . 7419 1 220 . 1 1 30 30 LEU CD2 C 13 25.00 0.20 . 2 . . . . 30 LEU CD2 . 7419 1 221 . 1 1 30 30 LEU CG C 13 27.64 0.20 . 1 . . . . 30 LEU CG . 7419 1 222 . 1 1 30 30 LEU N N 15 121.57 0.20 . 1 . . . . 30 LEU N . 7419 1 223 . 1 1 31 31 ARG H H 1 8.31 0.02 . 1 . . . . 31 ARG H . 7419 1 224 . 1 1 31 31 ARG HA H 1 3.72 0.02 . 1 . . . . 31 ARG HA . 7419 1 225 . 1 1 31 31 ARG HB2 H 1 1.91 0.02 . 2 . . . . 31 ARG HB2 . 7419 1 226 . 1 1 31 31 ARG HB3 H 1 1.85 0.02 . 2 . . . . 31 ARG HB3 . 7419 1 227 . 1 1 31 31 ARG HD2 H 1 3.22 0.02 . 1 . . . . 31 ARG HD2 . 7419 1 228 . 1 1 31 31 ARG HD3 H 1 3.22 0.02 . 1 . . . . 31 ARG HD3 . 7419 1 229 . 1 1 31 31 ARG HE H 1 7.44 0.02 . 1 . . . . 31 ARG HE . 7419 1 230 . 1 1 31 31 ARG HG2 H 1 1.50 0.02 . 2 . . . . 31 ARG HG2 . 7419 1 231 . 1 1 31 31 ARG HG3 H 1 1.45 0.02 . 2 . . . . 31 ARG HG3 . 7419 1 232 . 1 1 31 31 ARG C C 13 177.77 0.20 . 1 . . . . 31 ARG C . 7419 1 233 . 1 1 31 31 ARG CA C 13 60.04 0.20 . 1 . . . . 31 ARG CA . 7419 1 234 . 1 1 31 31 ARG CB C 13 30.32 0.20 . 1 . . . . 31 ARG CB . 7419 1 235 . 1 1 31 31 ARG CD C 13 43.38 0.20 . 1 . . . . 31 ARG CD . 7419 1 236 . 1 1 31 31 ARG CG C 13 27.87 0.20 . 1 . . . . 31 ARG CG . 7419 1 237 . 1 1 31 31 ARG N N 15 118.09 0.20 . 1 . . . . 31 ARG N . 7419 1 238 . 1 1 32 32 SER H H 1 7.85 0.02 . 1 . . . . 32 SER H . 7419 1 239 . 1 1 32 32 SER HA H 1 4.20 0.02 . 1 . . . . 32 SER HA . 7419 1 240 . 1 1 32 32 SER HB2 H 1 4.04 0.02 . 1 . . . . 32 SER HB2 . 7419 1 241 . 1 1 32 32 SER HB3 H 1 4.04 0.02 . 1 . . . . 32 SER HB3 . 7419 1 242 . 1 1 32 32 SER C C 13 177.84 0.20 . 1 . . . . 32 SER C . 7419 1 243 . 1 1 32 32 SER CA C 13 61.74 0.20 . 1 . . . . 32 SER CA . 7419 1 244 . 1 1 32 32 SER CB C 13 62.86 0.20 . 1 . . . . 32 SER CB . 7419 1 245 . 1 1 32 32 SER N N 15 112.20 0.20 . 1 . . . . 32 SER N . 7419 1 246 . 1 1 33 33 ARG H H 1 8.33 0.02 . 1 . . . . 33 ARG H . 7419 1 247 . 1 1 33 33 ARG HA H 1 4.16 0.02 . 1 . . . . 33 ARG HA . 7419 1 248 . 1 1 33 33 ARG HB2 H 1 2.01 0.02 . 2 . . . . 33 ARG HB2 . 7419 1 249 . 1 1 33 33 ARG HB3 H 1 1.86 0.02 . 2 . . . . 33 ARG HB3 . 7419 1 250 . 1 1 33 33 ARG HD2 H 1 3.25 0.02 . 2 . . . . 33 ARG HD2 . 7419 1 251 . 1 1 33 33 ARG HD3 H 1 3.16 0.02 . 2 . . . . 33 ARG HD3 . 7419 1 252 . 1 1 33 33 ARG HE H 1 7.75 0.02 . 1 . . . . 33 ARG HE . 7419 1 253 . 1 1 33 33 ARG HG2 H 1 1.73 0.02 . 1 . . . . 33 ARG HG2 . 7419 1 254 . 1 1 33 33 ARG HG3 H 1 1.73 0.02 . 1 . . . . 33 ARG HG3 . 7419 1 255 . 1 1 33 33 ARG C C 13 179.08 0.20 . 1 . . . . 33 ARG C . 7419 1 256 . 1 1 33 33 ARG CA C 13 58.38 0.20 . 1 . . . . 33 ARG CA . 7419 1 257 . 1 1 33 33 ARG CB C 13 29.73 0.20 . 1 . . . . 33 ARG CB . 7419 1 258 . 1 1 33 33 ARG CD C 13 42.48 0.20 . 1 . . . . 33 ARG CD . 7419 1 259 . 1 1 33 33 ARG CG C 13 26.98 0.20 . 1 . . . . 33 ARG CG . 7419 1 260 . 1 1 33 33 ARG N N 15 122.09 0.20 . 1 . . . . 33 ARG N . 7419 1 261 . 1 1 34 34 ALA H H 1 8.59 0.02 . 1 . . . . 34 ALA H . 7419 1 262 . 1 1 34 34 ALA HA H 1 4.23 0.02 . 1 . . . . 34 ALA HA . 7419 1 263 . 1 1 34 34 ALA HB1 H 1 1.35 0.02 . 1 . . . . 34 ALA HB . 7419 1 264 . 1 1 34 34 ALA HB2 H 1 1.35 0.02 . 1 . . . . 34 ALA HB . 7419 1 265 . 1 1 34 34 ALA HB3 H 1 1.35 0.02 . 1 . . . . 34 ALA HB . 7419 1 266 . 1 1 34 34 ALA C C 13 178.95 0.20 . 1 . . . . 34 ALA C . 7419 1 267 . 1 1 34 34 ALA CA C 13 55.59 0.20 . 1 . . . . 34 ALA CA . 7419 1 268 . 1 1 34 34 ALA CB C 13 17.61 0.20 . 1 . . . . 34 ALA CB . 7419 1 269 . 1 1 34 34 ALA N N 15 122.02 0.20 . 1 . . . . 34 ALA N . 7419 1 270 . 1 1 35 35 LEU H H 1 8.51 0.02 . 1 . . . . 35 LEU H . 7419 1 271 . 1 1 35 35 LEU HA H 1 3.99 0.02 . 1 . . . . 35 LEU HA . 7419 1 272 . 1 1 35 35 LEU HB2 H 1 1.97 0.02 . 2 . . . . 35 LEU HB2 . 7419 1 273 . 1 1 35 35 LEU HB3 H 1 1.61 0.02 . 2 . . . . 35 LEU HB3 . 7419 1 274 . 1 1 35 35 LEU HD11 H 1 0.95 0.02 . 1 . . . . 35 LEU HD1 . 7419 1 275 . 1 1 35 35 LEU HD12 H 1 0.95 0.02 . 1 . . . . 35 LEU HD1 . 7419 1 276 . 1 1 35 35 LEU HD13 H 1 0.95 0.02 . 1 . . . . 35 LEU HD1 . 7419 1 277 . 1 1 35 35 LEU HD21 H 1 0.95 0.02 . 1 . . . . 35 LEU HD2 . 7419 1 278 . 1 1 35 35 LEU HD22 H 1 0.95 0.02 . 1 . . . . 35 LEU HD2 . 7419 1 279 . 1 1 35 35 LEU HD23 H 1 0.95 0.02 . 1 . . . . 35 LEU HD2 . 7419 1 280 . 1 1 35 35 LEU HG H 1 1.77 0.02 . 1 . . . . 35 LEU HG . 7419 1 281 . 1 1 35 35 LEU C C 13 180.66 0.20 . 1 . . . . 35 LEU C . 7419 1 282 . 1 1 35 35 LEU CA C 13 58.92 0.20 . 1 . . . . 35 LEU CA . 7419 1 283 . 1 1 35 35 LEU CB C 13 42.16 0.20 . 1 . . . . 35 LEU CB . 7419 1 284 . 1 1 35 35 LEU CD1 C 13 25.75 0.20 . 2 . . . . 35 LEU CD1 . 7419 1 285 . 1 1 35 35 LEU CD2 C 13 23.91 0.20 . 2 . . . . 35 LEU CD2 . 7419 1 286 . 1 1 35 35 LEU CG C 13 27.29 0.20 . 1 . . . . 35 LEU CG . 7419 1 287 . 1 1 35 35 LEU N N 15 117.08 0.20 . 1 . . . . 35 LEU N . 7419 1 288 . 1 1 36 36 SER H H 1 8.26 0.02 . 1 . . . . 36 SER H . 7419 1 289 . 1 1 36 36 SER HA H 1 4.23 0.02 . 1 . . . . 36 SER HA . 7419 1 290 . 1 1 36 36 SER HB2 H 1 4.06 0.02 . 2 . . . . 36 SER HB2 . 7419 1 291 . 1 1 36 36 SER HB3 H 1 4.01 0.02 . 2 . . . . 36 SER HB3 . 7419 1 292 . 1 1 36 36 SER C C 13 176.13 0.20 . 1 . . . . 36 SER C . 7419 1 293 . 1 1 36 36 SER CA C 13 61.80 0.20 . 1 . . . . 36 SER CA . 7419 1 294 . 1 1 36 36 SER CB C 13 62.91 0.20 . 1 . . . . 36 SER CB . 7419 1 295 . 1 1 36 36 SER N N 15 114.28 0.20 . 1 . . . . 36 SER N . 7419 1 296 . 1 1 37 37 ALA H H 1 8.19 0.02 . 1 . . . . 37 ALA H . 7419 1 297 . 1 1 37 37 ALA HA H 1 4.17 0.02 . 1 . . . . 37 ALA HA . 7419 1 298 . 1 1 37 37 ALA HB1 H 1 1.52 0.02 . 1 . . . . 37 ALA HB . 7419 1 299 . 1 1 37 37 ALA HB2 H 1 1.52 0.02 . 1 . . . . 37 ALA HB . 7419 1 300 . 1 1 37 37 ALA HB3 H 1 1.52 0.02 . 1 . . . . 37 ALA HB . 7419 1 301 . 1 1 37 37 ALA C C 13 180.65 0.20 . 1 . . . . 37 ALA C . 7419 1 302 . 1 1 37 37 ALA CA C 13 55.41 0.20 . 1 . . . . 37 ALA CA . 7419 1 303 . 1 1 37 37 ALA CB C 13 18.93 0.20 . 1 . . . . 37 ALA CB . 7419 1 304 . 1 1 37 37 ALA N N 15 123.91 0.20 . 1 . . . . 37 ALA N . 7419 1 305 . 1 1 38 38 PHE H H 1 8.04 0.02 . 1 . . . . 38 PHE H . 7419 1 306 . 1 1 38 38 PHE HA H 1 3.93 0.02 . 1 . . . . 38 PHE HA . 7419 1 307 . 1 1 38 38 PHE HB2 H 1 3.10 0.02 . 2 . . . . 38 PHE HB2 . 7419 1 308 . 1 1 38 38 PHE HB3 H 1 3.02 0.02 . 2 . . . . 38 PHE HB3 . 7419 1 309 . 1 1 38 38 PHE HD1 H 1 7.51 0.02 . 1 . . . . 38 PHE HD1 . 7419 1 310 . 1 1 38 38 PHE HD2 H 1 7.51 0.02 . 1 . . . . 38 PHE HD2 . 7419 1 311 . 1 1 38 38 PHE HE1 H 1 6.99 0.02 . 1 . . . . 38 PHE HE1 . 7419 1 312 . 1 1 38 38 PHE HE2 H 1 6.99 0.02 . 1 . . . . 38 PHE HE2 . 7419 1 313 . 1 1 38 38 PHE HZ H 1 6.92 0.02 . 1 . . . . 38 PHE HZ . 7419 1 314 . 1 1 38 38 PHE C C 13 178.34 0.20 . 1 . . . . 38 PHE C . 7419 1 315 . 1 1 38 38 PHE CA C 13 62.98 0.20 . 1 . . . . 38 PHE CA . 7419 1 316 . 1 1 38 38 PHE CB C 13 37.88 0.20 . 1 . . . . 38 PHE CB . 7419 1 317 . 1 1 38 38 PHE CD1 C 13 132.28 0.20 . 1 . . . . 38 PHE CD1 . 7419 1 318 . 1 1 38 38 PHE CD2 C 13 132.28 0.20 . 1 . . . . 38 PHE CD2 . 7419 1 319 . 1 1 38 38 PHE CE1 C 13 130.40 0.20 . 1 . . . . 38 PHE CE1 . 7419 1 320 . 1 1 38 38 PHE CE2 C 13 130.40 0.20 . 1 . . . . 38 PHE CE2 . 7419 1 321 . 1 1 38 38 PHE CZ C 13 128.40 0.20 . 1 . . . . 38 PHE CZ . 7419 1 322 . 1 1 38 38 PHE N N 15 116.09 0.20 . 1 . . . . 38 PHE N . 7419 1 323 . 1 1 39 39 LYS H H 1 8.46 0.02 . 1 . . . . 39 LYS H . 7419 1 324 . 1 1 39 39 LYS HA H 1 4.28 0.02 . 1 . . . . 39 LYS HA . 7419 1 325 . 1 1 39 39 LYS HB2 H 1 2.08 0.02 . 1 . . . . 39 LYS HB2 . 7419 1 326 . 1 1 39 39 LYS HB3 H 1 2.08 0.02 . 1 . . . . 39 LYS HB3 . 7419 1 327 . 1 1 39 39 LYS HD2 H 1 1.74 0.02 . 2 . . . . 39 LYS HD2 . 7419 1 328 . 1 1 39 39 LYS HD3 H 1 1.69 0.02 . 2 . . . . 39 LYS HD3 . 7419 1 329 . 1 1 39 39 LYS HE2 H 1 2.98 0.02 . 1 . . . . 39 LYS HE2 . 7419 1 330 . 1 1 39 39 LYS HE3 H 1 2.98 0.02 . 1 . . . . 39 LYS HE3 . 7419 1 331 . 1 1 39 39 LYS HG2 H 1 1.53 0.02 . 1 . . . . 39 LYS HG2 . 7419 1 332 . 1 1 39 39 LYS HG3 H 1 1.53 0.02 . 1 . . . . 39 LYS HG3 . 7419 1 333 . 1 1 39 39 LYS C C 13 181.15 0.20 . 1 . . . . 39 LYS C . 7419 1 334 . 1 1 39 39 LYS CA C 13 59.93 0.20 . 1 . . . . 39 LYS CA . 7419 1 335 . 1 1 39 39 LYS CB C 13 32.34 0.20 . 1 . . . . 39 LYS CB . 7419 1 336 . 1 1 39 39 LYS CD C 13 29.32 0.20 . 1 . . . . 39 LYS CD . 7419 1 337 . 1 1 39 39 LYS CG C 13 25.27 0.20 . 1 . . . . 39 LYS CG . 7419 1 338 . 1 1 39 39 LYS N N 15 121.89 0.20 . 1 . . . . 39 LYS N . 7419 1 339 . 1 1 40 40 LEU H H 1 8.29 0.02 . 1 . . . . 40 LEU H . 7419 1 340 . 1 1 40 40 LEU HA H 1 4.19 0.02 . 1 . . . . 40 LEU HA . 7419 1 341 . 1 1 40 40 LEU HB2 H 1 1.87 0.02 . 2 . . . . 40 LEU HB2 . 7419 1 342 . 1 1 40 40 LEU HB3 H 1 1.67 0.02 . 2 . . . . 40 LEU HB3 . 7419 1 343 . 1 1 40 40 LEU HD11 H 1 0.95 0.02 . 1 . . . . 40 LEU HD1 . 7419 1 344 . 1 1 40 40 LEU HD12 H 1 0.95 0.02 . 1 . . . . 40 LEU HD1 . 7419 1 345 . 1 1 40 40 LEU HD13 H 1 0.95 0.02 . 1 . . . . 40 LEU HD1 . 7419 1 346 . 1 1 40 40 LEU HD21 H 1 0.95 0.02 . 1 . . . . 40 LEU HD2 . 7419 1 347 . 1 1 40 40 LEU HD22 H 1 0.95 0.02 . 1 . . . . 40 LEU HD2 . 7419 1 348 . 1 1 40 40 LEU HD23 H 1 0.95 0.02 . 1 . . . . 40 LEU HD2 . 7419 1 349 . 1 1 40 40 LEU HG H 1 1.87 0.02 . 1 . . . . 40 LEU HG . 7419 1 350 . 1 1 40 40 LEU C C 13 178.62 0.20 . 1 . . . . 40 LEU C . 7419 1 351 . 1 1 40 40 LEU CA C 13 57.67 0.20 . 1 . . . . 40 LEU CA . 7419 1 352 . 1 1 40 40 LEU CB C 13 42.05 0.20 . 1 . . . . 40 LEU CB . 7419 1 353 . 1 1 40 40 LEU CD1 C 13 24.82 0.20 . 2 . . . . 40 LEU CD1 . 7419 1 354 . 1 1 40 40 LEU CD2 C 13 23.58 0.20 . 2 . . . . 40 LEU CD2 . 7419 1 355 . 1 1 40 40 LEU CG C 13 27.12 0.20 . 1 . . . . 40 LEU CG . 7419 1 356 . 1 1 40 40 LEU N N 15 121.68 0.20 . 1 . . . . 40 LEU N . 7419 1 357 . 1 1 41 41 ARG H H 1 7.22 0.02 . 1 . . . . 41 ARG H . 7419 1 358 . 1 1 41 41 ARG HA H 1 4.47 0.02 . 1 . . . . 41 ARG HA . 7419 1 359 . 1 1 41 41 ARG HB2 H 1 2.24 0.02 . 2 . . . . 41 ARG HB2 . 7419 1 360 . 1 1 41 41 ARG HB3 H 1 1.67 0.02 . 2 . . . . 41 ARG HB3 . 7419 1 361 . 1 1 41 41 ARG HD2 H 1 3.18 0.02 . 2 . . . . 41 ARG HD2 . 7419 1 362 . 1 1 41 41 ARG HD3 H 1 3.13 0.02 . 2 . . . . 41 ARG HD3 . 7419 1 363 . 1 1 41 41 ARG HE H 1 7.92 0.02 . 1 . . . . 41 ARG HE . 7419 1 364 . 1 1 41 41 ARG HG2 H 1 1.67 0.02 . 2 . . . . 41 ARG HG2 . 7419 1 365 . 1 1 41 41 ARG HG3 H 1 1.63 0.02 . 2 . . . . 41 ARG HG3 . 7419 1 366 . 1 1 41 41 ARG C C 13 175.75 0.20 . 1 . . . . 41 ARG C . 7419 1 367 . 1 1 41 41 ARG CA C 13 54.45 0.20 . 1 . . . . 41 ARG CA . 7419 1 368 . 1 1 41 41 ARG CB C 13 29.73 0.20 . 1 . . . . 41 ARG CB . 7419 1 369 . 1 1 41 41 ARG CD C 13 42.19 0.20 . 1 . . . . 41 ARG CD . 7419 1 370 . 1 1 41 41 ARG CG C 13 27.11 0.20 . 1 . . . . 41 ARG CG . 7419 1 371 . 1 1 41 41 ARG N N 15 116.53 0.20 . 1 . . . . 41 ARG N . 7419 1 372 . 1 1 42 42 GLY H H 1 8.21 0.02 . 1 . . . . 42 GLY H . 7419 1 373 . 1 1 42 42 GLY HA2 H 1 4.16 0.02 . 2 . . . . 42 GLY HA2 . 7419 1 374 . 1 1 42 42 GLY HA3 H 1 3.83 0.02 . 2 . . . . 42 GLY HA3 . 7419 1 375 . 1 1 42 42 GLY C C 13 174.16 0.20 . 1 . . . . 42 GLY C . 7419 1 376 . 1 1 42 42 GLY CA C 13 45.73 0.20 . 1 . . . . 42 GLY CA . 7419 1 377 . 1 1 42 42 GLY N N 15 107.97 0.20 . 1 . . . . 42 GLY N . 7419 1 378 . 1 1 43 43 LEU H H 1 7.96 0.02 . 1 . . . . 43 LEU H . 7419 1 379 . 1 1 43 43 LEU HA H 1 4.97 0.02 . 1 . . . . 43 LEU HA . 7419 1 380 . 1 1 43 43 LEU HB2 H 1 2.04 0.02 . 2 . . . . 43 LEU HB2 . 7419 1 381 . 1 1 43 43 LEU HB3 H 1 1.43 0.02 . 2 . . . . 43 LEU HB3 . 7419 1 382 . 1 1 43 43 LEU HD11 H 1 0.91 0.02 . 1 . . . . 43 LEU HD1 . 7419 1 383 . 1 1 43 43 LEU HD12 H 1 0.91 0.02 . 1 . . . . 43 LEU HD1 . 7419 1 384 . 1 1 43 43 LEU HD13 H 1 0.91 0.02 . 1 . . . . 43 LEU HD1 . 7419 1 385 . 1 1 43 43 LEU HD21 H 1 0.91 0.02 . 1 . . . . 43 LEU HD2 . 7419 1 386 . 1 1 43 43 LEU HD22 H 1 0.91 0.02 . 1 . . . . 43 LEU HD2 . 7419 1 387 . 1 1 43 43 LEU HD23 H 1 0.91 0.02 . 1 . . . . 43 LEU HD2 . 7419 1 388 . 1 1 43 43 LEU HG H 1 1.64 0.02 . 1 . . . . 43 LEU HG . 7419 1 389 . 1 1 43 43 LEU C C 13 174.87 0.20 . 1 . . . . 43 LEU C . 7419 1 390 . 1 1 43 43 LEU CA C 13 53.77 0.20 . 1 . . . . 43 LEU CA . 7419 1 391 . 1 1 43 43 LEU CB C 13 45.04 0.20 . 1 . . . . 43 LEU CB . 7419 1 392 . 1 1 43 43 LEU CD1 C 13 25.97 0.20 . 2 . . . . 43 LEU CD1 . 7419 1 393 . 1 1 43 43 LEU CD2 C 13 22.37 0.20 . 2 . . . . 43 LEU CD2 . 7419 1 394 . 1 1 43 43 LEU CG C 13 26.46 0.20 . 1 . . . . 43 LEU CG . 7419 1 395 . 1 1 43 43 LEU N N 15 120.33 0.20 . 1 . . . . 43 LEU N . 7419 1 396 . 1 1 44 44 LEU H H 1 8.82 0.02 . 1 . . . . 44 LEU H . 7419 1 397 . 1 1 44 44 LEU HA H 1 4.60 0.02 . 1 . . . . 44 LEU HA . 7419 1 398 . 1 1 44 44 LEU HB2 H 1 1.73 0.02 . 2 . . . . 44 LEU HB2 . 7419 1 399 . 1 1 44 44 LEU HB3 H 1 1.45 0.02 . 2 . . . . 44 LEU HB3 . 7419 1 400 . 1 1 44 44 LEU HD11 H 1 0.88 0.02 . 1 . . . . 44 LEU HD1 . 7419 1 401 . 1 1 44 44 LEU HD12 H 1 0.88 0.02 . 1 . . . . 44 LEU HD1 . 7419 1 402 . 1 1 44 44 LEU HD13 H 1 0.88 0.02 . 1 . . . . 44 LEU HD1 . 7419 1 403 . 1 1 44 44 LEU HD21 H 1 0.88 0.02 . 1 . . . . 44 LEU HD2 . 7419 1 404 . 1 1 44 44 LEU HD22 H 1 0.88 0.02 . 1 . . . . 44 LEU HD2 . 7419 1 405 . 1 1 44 44 LEU HD23 H 1 0.88 0.02 . 1 . . . . 44 LEU HD2 . 7419 1 406 . 1 1 44 44 LEU HG H 1 1.55 0.02 . 1 . . . . 44 LEU HG . 7419 1 407 . 1 1 44 44 LEU C C 13 175.47 0.20 . 1 . . . . 44 LEU C . 7419 1 408 . 1 1 44 44 LEU CA C 13 53.04 0.20 . 1 . . . . 44 LEU CA . 7419 1 409 . 1 1 44 44 LEU CB C 13 44.14 0.20 . 1 . . . . 44 LEU CB . 7419 1 410 . 1 1 44 44 LEU CD1 C 13 25.36 0.20 . 2 . . . . 44 LEU CD1 . 7419 1 411 . 1 1 44 44 LEU CD2 C 13 23.34 0.20 . 2 . . . . 44 LEU CD2 . 7419 1 412 . 1 1 44 44 LEU CG C 13 27.21 0.20 . 1 . . . . 44 LEU CG . 7419 1 413 . 1 1 44 44 LEU N N 15 122.82 0.20 . 1 . . . . 44 LEU N . 7419 1 414 . 1 1 45 45 LEU H H 1 8.16 0.02 . 1 . . . . 45 LEU H . 7419 1 415 . 1 1 45 45 LEU HA H 1 4.51 0.02 . 1 . . . . 45 LEU HA . 7419 1 416 . 1 1 45 45 LEU HB2 H 1 1.41 0.02 . 2 . . . . 45 LEU HB2 . 7419 1 417 . 1 1 45 45 LEU HB3 H 1 1.21 0.02 . 2 . . . . 45 LEU HB3 . 7419 1 418 . 1 1 45 45 LEU HD11 H 1 0.17 0.02 . 2 . . . . 45 LEU HD1 . 7419 1 419 . 1 1 45 45 LEU HD12 H 1 0.17 0.02 . 2 . . . . 45 LEU HD1 . 7419 1 420 . 1 1 45 45 LEU HD13 H 1 0.17 0.02 . 2 . . . . 45 LEU HD1 . 7419 1 421 . 1 1 45 45 LEU HD21 H 1 0.01 0.02 . 2 . . . . 45 LEU HD2 . 7419 1 422 . 1 1 45 45 LEU HD22 H 1 0.01 0.02 . 2 . . . . 45 LEU HD2 . 7419 1 423 . 1 1 45 45 LEU HD23 H 1 0.01 0.02 . 2 . . . . 45 LEU HD2 . 7419 1 424 . 1 1 45 45 LEU HG H 1 1.01 0.02 . 1 . . . . 45 LEU HG . 7419 1 425 . 1 1 45 45 LEU C C 13 177.03 0.20 . 1 . . . . 45 LEU C . 7419 1 426 . 1 1 45 45 LEU CA C 13 54.25 0.20 . 1 . . . . 45 LEU CA . 7419 1 427 . 1 1 45 45 LEU CB C 13 44.44 0.20 . 1 . . . . 45 LEU CB . 7419 1 428 . 1 1 45 45 LEU CD1 C 13 25.73 0.20 . 2 . . . . 45 LEU CD1 . 7419 1 429 . 1 1 45 45 LEU CD2 C 13 24.31 0.20 . 2 . . . . 45 LEU CD2 . 7419 1 430 . 1 1 45 45 LEU CG C 13 27.25 0.20 . 1 . . . . 45 LEU CG . 7419 1 431 . 1 1 45 45 LEU N N 15 121.20 0.20 . 1 . . . . 45 LEU N . 7419 1 432 . 1 1 46 46 ARG H H 1 8.06 0.02 . 1 . . . . 46 ARG H . 7419 1 433 . 1 1 46 46 ARG HA H 1 4.29 0.02 . 1 . . . . 46 ARG HA . 7419 1 434 . 1 1 46 46 ARG HB2 H 1 2.25 0.02 . 2 . . . . 46 ARG HB2 . 7419 1 435 . 1 1 46 46 ARG HB3 H 1 1.87 0.02 . 2 . . . . 46 ARG HB3 . 7419 1 436 . 1 1 46 46 ARG HD2 H 1 3.37 0.02 . 2 . . . . 46 ARG HD2 . 7419 1 437 . 1 1 46 46 ARG HD3 H 1 3.23 0.02 . 2 . . . . 46 ARG HD3 . 7419 1 438 . 1 1 46 46 ARG HG2 H 1 1.77 0.02 . 2 . . . . 46 ARG HG2 . 7419 1 439 . 1 1 46 46 ARG HG3 H 1 1.61 0.02 . 2 . . . . 46 ARG HG3 . 7419 1 440 . 1 1 46 46 ARG C C 13 178.42 0.20 . 1 . . . . 46 ARG C . 7419 1 441 . 1 1 46 46 ARG CA C 13 55.36 0.20 . 1 . . . . 46 ARG CA . 7419 1 442 . 1 1 46 46 ARG CB C 13 31.10 0.20 . 1 . . . . 46 ARG CB . 7419 1 443 . 1 1 46 46 ARG CD C 13 43.04 0.20 . 1 . . . . 46 ARG CD . 7419 1 444 . 1 1 46 46 ARG CG C 13 27.30 0.20 . 1 . . . . 46 ARG CG . 7419 1 445 . 1 1 46 46 ARG N N 15 121.47 0.20 . 1 . . . . 46 ARG N . 7419 1 446 . 1 1 47 47 GLY H H 1 9.23 0.02 . 1 . . . . 47 GLY H . 7419 1 447 . 1 1 47 47 GLY HA2 H 1 4.11 0.02 . 2 . . . . 47 GLY HA2 . 7419 1 448 . 1 1 47 47 GLY HA3 H 1 3.77 0.02 . 2 . . . . 47 GLY HA3 . 7419 1 449 . 1 1 47 47 GLY C C 13 177.31 0.20 . 1 . . . . 47 GLY C . 7419 1 450 . 1 1 47 47 GLY CA C 13 48.14 0.20 . 1 . . . . 47 GLY CA . 7419 1 451 . 1 1 47 47 GLY N N 15 113.01 0.20 . 1 . . . . 47 GLY N . 7419 1 452 . 1 1 48 48 GLU H H 1 9.35 0.02 . 1 . . . . 48 GLU H . 7419 1 453 . 1 1 48 48 GLU HA H 1 4.17 0.02 . 1 . . . . 48 GLU HA . 7419 1 454 . 1 1 48 48 GLU HB2 H 1 2.14 0.02 . 1 . . . . 48 GLU HB2 . 7419 1 455 . 1 1 48 48 GLU HB3 H 1 2.14 0.02 . 1 . . . . 48 GLU HB3 . 7419 1 456 . 1 1 48 48 GLU HG2 H 1 2.45 0.02 . 1 . . . . 48 GLU HG2 . 7419 1 457 . 1 1 48 48 GLU HG3 H 1 2.45 0.02 . 1 . . . . 48 GLU HG3 . 7419 1 458 . 1 1 48 48 GLU C C 13 179.25 0.20 . 1 . . . . 48 GLU C . 7419 1 459 . 1 1 48 48 GLU CA C 13 59.02 0.20 . 1 . . . . 48 GLU CA . 7419 1 460 . 1 1 48 48 GLU CB C 13 29.46 0.20 . 1 . . . . 48 GLU CB . 7419 1 461 . 1 1 48 48 GLU CG C 13 36.46 0.20 . 1 . . . . 48 GLU CG . 7419 1 462 . 1 1 48 48 GLU N N 15 119.36 0.20 . 1 . . . . 48 GLU N . 7419 1 463 . 1 1 49 49 ALA H H 1 7.50 0.02 . 1 . . . . 49 ALA H . 7419 1 464 . 1 1 49 49 ALA HA H 1 4.03 0.02 . 1 . . . . 49 ALA HA . 7419 1 465 . 1 1 49 49 ALA HB1 H 1 1.43 0.02 . 1 . . . . 49 ALA HB . 7419 1 466 . 1 1 49 49 ALA HB2 H 1 1.43 0.02 . 1 . . . . 49 ALA HB . 7419 1 467 . 1 1 49 49 ALA HB3 H 1 1.43 0.02 . 1 . . . . 49 ALA HB . 7419 1 468 . 1 1 49 49 ALA C C 13 178.35 0.20 . 1 . . . . 49 ALA C . 7419 1 469 . 1 1 49 49 ALA CA C 13 55.32 0.20 . 1 . . . . 49 ALA CA . 7419 1 470 . 1 1 49 49 ALA CB C 13 19.21 0.20 . 1 . . . . 49 ALA CB . 7419 1 471 . 1 1 49 49 ALA N N 15 122.12 0.20 . 1 . . . . 49 ALA N . 7419 1 472 . 1 1 50 50 ILE H H 1 8.01 0.02 . 1 . . . . 50 ILE H . 7419 1 473 . 1 1 50 50 ILE HA H 1 4.00 0.02 . 1 . . . . 50 ILE HA . 7419 1 474 . 1 1 50 50 ILE HB H 1 1.80 0.02 . 1 . . . . 50 ILE HB . 7419 1 475 . 1 1 50 50 ILE HD11 H 1 0.96 0.02 . 1 . . . . 50 ILE HD1 . 7419 1 476 . 1 1 50 50 ILE HD12 H 1 0.96 0.02 . 1 . . . . 50 ILE HD1 . 7419 1 477 . 1 1 50 50 ILE HD13 H 1 0.96 0.02 . 1 . . . . 50 ILE HD1 . 7419 1 478 . 1 1 50 50 ILE HG12 H 1 1.39 0.02 . 2 . . . . 50 ILE HG12 . 7419 1 479 . 1 1 50 50 ILE HG13 H 1 1.11 0.02 . 2 . . . . 50 ILE HG13 . 7419 1 480 . 1 1 50 50 ILE HG21 H 1 1.08 0.02 . 1 . . . . 50 ILE HG2 . 7419 1 481 . 1 1 50 50 ILE HG22 H 1 1.08 0.02 . 1 . . . . 50 ILE HG2 . 7419 1 482 . 1 1 50 50 ILE HG23 H 1 1.08 0.02 . 1 . . . . 50 ILE HG2 . 7419 1 483 . 1 1 50 50 ILE C C 13 177.22 0.20 . 1 . . . . 50 ILE C . 7419 1 484 . 1 1 50 50 ILE CA C 13 62.36 0.20 . 1 . . . . 50 ILE CA . 7419 1 485 . 1 1 50 50 ILE CB C 13 37.74 0.20 . 1 . . . . 50 ILE CB . 7419 1 486 . 1 1 50 50 ILE CD1 C 13 14.30 0.20 . 1 . . . . 50 ILE CD1 . 7419 1 487 . 1 1 50 50 ILE CG1 C 13 30.52 0.20 . 1 . . . . 50 ILE CG1 . 7419 1 488 . 1 1 50 50 ILE CG2 C 13 18.62 0.20 . 1 . . . . 50 ILE CG2 . 7419 1 489 . 1 1 50 50 ILE N N 15 116.37 0.20 . 1 . . . . 50 ILE N . 7419 1 490 . 1 1 51 51 LYS H H 1 7.74 0.02 . 1 . . . . 51 LYS H . 7419 1 491 . 1 1 51 51 LYS HA H 1 4.03 0.02 . 1 . . . . 51 LYS HA . 7419 1 492 . 1 1 51 51 LYS HB2 H 1 1.92 0.02 . 2 . . . . 51 LYS HB2 . 7419 1 493 . 1 1 51 51 LYS HB3 H 1 1.87 0.02 . 2 . . . . 51 LYS HB3 . 7419 1 494 . 1 1 51 51 LYS HD2 H 1 1.70 0.02 . 1 . . . . 51 LYS HD2 . 7419 1 495 . 1 1 51 51 LYS HD3 H 1 1.70 0.02 . 1 . . . . 51 LYS HD3 . 7419 1 496 . 1 1 51 51 LYS HE2 H 1 2.98 0.02 . 1 . . . . 51 LYS HE2 . 7419 1 497 . 1 1 51 51 LYS HE3 H 1 2.98 0.02 . 1 . . . . 51 LYS HE3 . 7419 1 498 . 1 1 51 51 LYS HG2 H 1 1.49 0.02 . 2 . . . . 51 LYS HG2 . 7419 1 499 . 1 1 51 51 LYS HG3 H 1 1.39 0.02 . 2 . . . . 51 LYS HG3 . 7419 1 500 . 1 1 51 51 LYS C C 13 178.12 0.20 . 1 . . . . 51 LYS C . 7419 1 501 . 1 1 51 51 LYS CA C 13 60.04 0.20 . 1 . . . . 51 LYS CA . 7419 1 502 . 1 1 51 51 LYS CB C 13 32.61 0.20 . 1 . . . . 51 LYS CB . 7419 1 503 . 1 1 51 51 LYS CD C 13 29.40 0.20 . 1 . . . . 51 LYS CD . 7419 1 504 . 1 1 51 51 LYS CE C 13 42.10 0.20 . 1 . . . . 51 LYS CE . 7419 1 505 . 1 1 51 51 LYS CG C 13 24.82 0.20 . 1 . . . . 51 LYS CG . 7419 1 506 . 1 1 51 51 LYS N N 15 124.35 0.20 . 1 . . . . 51 LYS N . 7419 1 507 . 1 1 52 52 TYR H H 1 7.43 0.02 . 1 . . . . 52 TYR H . 7419 1 508 . 1 1 52 52 TYR HA H 1 4.17 0.02 . 1 . . . . 52 TYR HA . 7419 1 509 . 1 1 52 52 TYR HB2 H 1 3.13 0.02 . 2 . . . . 52 TYR HB2 . 7419 1 510 . 1 1 52 52 TYR HB3 H 1 2.94 0.02 . 2 . . . . 52 TYR HB3 . 7419 1 511 . 1 1 52 52 TYR HD1 H 1 6.93 0.02 . 1 . . . . 52 TYR HD1 . 7419 1 512 . 1 1 52 52 TYR HD2 H 1 6.93 0.02 . 1 . . . . 52 TYR HD2 . 7419 1 513 . 1 1 52 52 TYR HE1 H 1 6.63 0.02 . 1 . . . . 52 TYR HE1 . 7419 1 514 . 1 1 52 52 TYR HE2 H 1 6.63 0.02 . 1 . . . . 52 TYR HE2 . 7419 1 515 . 1 1 52 52 TYR C C 13 176.93 0.20 . 1 . . . . 52 TYR C . 7419 1 516 . 1 1 52 52 TYR CA C 13 61.30 0.20 . 1 . . . . 52 TYR CA . 7419 1 517 . 1 1 52 52 TYR CB C 13 38.55 0.20 . 1 . . . . 52 TYR CB . 7419 1 518 . 1 1 52 52 TYR CD1 C 13 132.74 0.20 . 1 . . . . 52 TYR CD1 . 7419 1 519 . 1 1 52 52 TYR CD2 C 13 132.74 0.20 . 1 . . . . 52 TYR CD2 . 7419 1 520 . 1 1 52 52 TYR CE1 C 13 118.05 0.20 . 1 . . . . 52 TYR CE1 . 7419 1 521 . 1 1 52 52 TYR CE2 C 13 118.05 0.20 . 1 . . . . 52 TYR CE2 . 7419 1 522 . 1 1 52 52 TYR N N 15 117.72 0.20 . 1 . . . . 52 TYR N . 7419 1 523 . 1 1 53 53 LEU H H 1 8.21 0.02 . 1 . . . . 53 LEU H . 7419 1 524 . 1 1 53 53 LEU HA H 1 3.63 0.02 . 1 . . . . 53 LEU HA . 7419 1 525 . 1 1 53 53 LEU HB2 H 1 1.69 0.02 . 2 . . . . 53 LEU HB2 . 7419 1 526 . 1 1 53 53 LEU HB3 H 1 1.60 0.02 . 2 . . . . 53 LEU HB3 . 7419 1 527 . 1 1 53 53 LEU HD11 H 1 0.81 0.02 . 1 . . . . 53 LEU HD1 . 7419 1 528 . 1 1 53 53 LEU HD12 H 1 0.81 0.02 . 1 . . . . 53 LEU HD1 . 7419 1 529 . 1 1 53 53 LEU HD13 H 1 0.81 0.02 . 1 . . . . 53 LEU HD1 . 7419 1 530 . 1 1 53 53 LEU HD21 H 1 0.81 0.02 . 1 . . . . 53 LEU HD2 . 7419 1 531 . 1 1 53 53 LEU HD22 H 1 0.81 0.02 . 1 . . . . 53 LEU HD2 . 7419 1 532 . 1 1 53 53 LEU HD23 H 1 0.81 0.02 . 1 . . . . 53 LEU HD2 . 7419 1 533 . 1 1 53 53 LEU HG H 1 1.64 0.02 . 1 . . . . 53 LEU HG . 7419 1 534 . 1 1 53 53 LEU C C 13 177.67 0.20 . 1 . . . . 53 LEU C . 7419 1 535 . 1 1 53 53 LEU CA C 13 57.93 0.20 . 1 . . . . 53 LEU CA . 7419 1 536 . 1 1 53 53 LEU CB C 13 42.46 0.20 . 1 . . . . 53 LEU CB . 7419 1 537 . 1 1 53 53 LEU CD1 C 13 26.19 0.20 . 2 . . . . 53 LEU CD1 . 7419 1 538 . 1 1 53 53 LEU CD2 C 13 25.09 0.20 . 2 . . . . 53 LEU CD2 . 7419 1 539 . 1 1 53 53 LEU CG C 13 26.86 0.20 . 1 . . . . 53 LEU CG . 7419 1 540 . 1 1 53 53 LEU N N 15 119.01 0.20 . 1 . . . . 53 LEU N . 7419 1 541 . 1 1 54 54 THR H H 1 8.19 0.02 . 1 . . . . 54 THR H . 7419 1 542 . 1 1 54 54 THR HA H 1 3.65 0.02 . 1 . . . . 54 THR HA . 7419 1 543 . 1 1 54 54 THR HB H 1 4.25 0.02 . 1 . . . . 54 THR HB . 7419 1 544 . 1 1 54 54 THR HG21 H 1 1.18 0.02 . 1 . . . . 54 THR HG2 . 7419 1 545 . 1 1 54 54 THR HG22 H 1 1.18 0.02 . 1 . . . . 54 THR HG2 . 7419 1 546 . 1 1 54 54 THR HG23 H 1 1.18 0.02 . 1 . . . . 54 THR HG2 . 7419 1 547 . 1 1 54 54 THR C C 13 175.98 0.20 . 1 . . . . 54 THR C . 7419 1 548 . 1 1 54 54 THR CA C 13 66.64 0.20 . 1 . . . . 54 THR CA . 7419 1 549 . 1 1 54 54 THR CB C 13 68.34 0.20 . 1 . . . . 54 THR CB . 7419 1 550 . 1 1 54 54 THR CG2 C 13 21.56 0.20 . 1 . . . . 54 THR CG2 . 7419 1 551 . 1 1 54 54 THR N N 15 110.87 0.20 . 1 . . . . 54 THR N . 7419 1 552 . 1 1 55 55 GLU H H 1 7.28 0.02 . 1 . . . . 55 GLU H . 7419 1 553 . 1 1 55 55 GLU HA H 1 4.09 0.02 . 1 . . . . 55 GLU HA . 7419 1 554 . 1 1 55 55 GLU HB2 H 1 2.05 0.02 . 2 . . . . 55 GLU HB2 . 7419 1 555 . 1 1 55 55 GLU HB3 H 1 1.93 0.02 . 2 . . . . 55 GLU HB3 . 7419 1 556 . 1 1 55 55 GLU HG2 H 1 2.38 0.02 . 2 . . . . 55 GLU HG2 . 7419 1 557 . 1 1 55 55 GLU HG3 H 1 2.15 0.02 . 2 . . . . 55 GLU HG3 . 7419 1 558 . 1 1 55 55 GLU C C 13 179.40 0.20 . 1 . . . . 55 GLU C . 7419 1 559 . 1 1 55 55 GLU CA C 13 58.88 0.20 . 1 . . . . 55 GLU CA . 7419 1 560 . 1 1 55 55 GLU CB C 13 29.32 0.20 . 1 . . . . 55 GLU CB . 7419 1 561 . 1 1 55 55 GLU CG C 13 36.35 0.20 . 1 . . . . 55 GLU CG . 7419 1 562 . 1 1 55 55 GLU N N 15 120.39 0.20 . 1 . . . . 55 GLU N . 7419 1 563 . 1 1 56 56 ALA H H 1 8.36 0.02 . 1 . . . . 56 ALA H . 7419 1 564 . 1 1 56 56 ALA HA H 1 4.00 0.02 . 1 . . . . 56 ALA HA . 7419 1 565 . 1 1 56 56 ALA HB1 H 1 1.09 0.02 . 1 . . . . 56 ALA HB . 7419 1 566 . 1 1 56 56 ALA HB2 H 1 1.09 0.02 . 1 . . . . 56 ALA HB . 7419 1 567 . 1 1 56 56 ALA HB3 H 1 1.09 0.02 . 1 . . . . 56 ALA HB . 7419 1 568 . 1 1 56 56 ALA CA C 13 54.54 0.20 . 1 . . . . 56 ALA CA . 7419 1 569 . 1 1 56 56 ALA CB C 13 17.85 0.20 . 1 . . . . 56 ALA CB . 7419 1 570 . 1 1 56 56 ALA N N 15 122.11 0.20 . 1 . . . . 56 ALA N . 7419 1 571 . 1 1 57 57 LEU H H 1 7.75 0.02 . 1 . . . . 57 LEU H . 7419 1 572 . 1 1 57 57 LEU HA H 1 4.38 0.02 . 1 . . . . 57 LEU HA . 7419 1 573 . 1 1 57 57 LEU HB2 H 1 1.74 0.02 . 2 . . . . 57 LEU HB2 . 7419 1 574 . 1 1 57 57 LEU HB3 H 1 1.67 0.02 . 2 . . . . 57 LEU HB3 . 7419 1 575 . 1 1 57 57 LEU HD11 H 1 0.73 0.02 . 2 . . . . 57 LEU HD1 . 7419 1 576 . 1 1 57 57 LEU HD12 H 1 0.73 0.02 . 2 . . . . 57 LEU HD1 . 7419 1 577 . 1 1 57 57 LEU HD13 H 1 0.73 0.02 . 2 . . . . 57 LEU HD1 . 7419 1 578 . 1 1 57 57 LEU HD21 H 1 0.70 0.02 . 2 . . . . 57 LEU HD2 . 7419 1 579 . 1 1 57 57 LEU HD22 H 1 0.70 0.02 . 2 . . . . 57 LEU HD2 . 7419 1 580 . 1 1 57 57 LEU HD23 H 1 0.70 0.02 . 2 . . . . 57 LEU HD2 . 7419 1 581 . 1 1 57 57 LEU HG H 1 1.86 0.02 . 1 . . . . 57 LEU HG . 7419 1 582 . 1 1 57 57 LEU C C 13 176.85 0.20 . 1 . . . . 57 LEU C . 7419 1 583 . 1 1 57 57 LEU CA C 13 54.44 0.20 . 1 . . . . 57 LEU CA . 7419 1 584 . 1 1 57 57 LEU CB C 13 41.76 0.20 . 1 . . . . 57 LEU CB . 7419 1 585 . 1 1 57 57 LEU CD1 C 13 25.94 0.20 . 2 . . . . 57 LEU CD1 . 7419 1 586 . 1 1 57 57 LEU CD2 C 13 21.94 0.20 . 2 . . . . 57 LEU CD2 . 7419 1 587 . 1 1 57 57 LEU CG C 13 26.59 0.20 . 1 . . . . 57 LEU CG . 7419 1 588 . 1 1 57 57 LEU N N 15 114.92 0.20 . 1 . . . . 57 LEU N . 7419 1 589 . 1 1 58 58 GLN H H 1 7.13 0.02 . 1 . . . . 58 GLN H . 7419 1 590 . 1 1 58 58 GLN HA H 1 3.97 0.02 . 1 . . . . 58 GLN HA . 7419 1 591 . 1 1 58 58 GLN HB2 H 1 2.24 0.02 . 2 . . . . 58 GLN HB2 . 7419 1 592 . 1 1 58 58 GLN HB3 H 1 2.181 0.02 . 2 . . . . 58 GLN HB3 . 7419 1 593 . 1 1 58 58 GLN HE21 H 1 7.534 0.02 . 2 . . . . 58 GLN HE21 . 7419 1 594 . 1 1 58 58 GLN HE22 H 1 6.854 0.02 . 2 . . . . 58 GLN HE22 . 7419 1 595 . 1 1 58 58 GLN HG2 H 1 2.48 0.02 . 1 . . . . 58 GLN HG2 . 7419 1 596 . 1 1 58 58 GLN HG3 H 1 2.48 0.02 . 1 . . . . 58 GLN HG3 . 7419 1 597 . 1 1 58 58 GLN C C 13 176.51 0.20 . 1 . . . . 58 GLN C . 7419 1 598 . 1 1 58 58 GLN CA C 13 58.73 0.20 . 1 . . . . 58 GLN CA . 7419 1 599 . 1 1 58 58 GLN CB C 13 29.10 0.20 . 1 . . . . 58 GLN CB . 7419 1 600 . 1 1 58 58 GLN CG C 13 33.75 0.20 . 1 . . . . 58 GLN CG . 7419 1 601 . 1 1 58 58 GLN N N 15 117.38 0.20 . 1 . . . . 58 GLN N . 7419 1 602 . 1 1 58 58 GLN NE2 N 15 111.60 0.20 . 1 . . . . 58 GLN NE2 . 7419 1 603 . 1 1 59 59 SER H H 1 8.14 0.02 . 1 . . . . 59 SER H . 7419 1 604 . 1 1 59 59 SER HA H 1 4.53 0.02 . 1 . . . . 59 SER HA . 7419 1 605 . 1 1 59 59 SER HB2 H 1 3.96 0.02 . 1 . . . . 59 SER HB2 . 7419 1 606 . 1 1 59 59 SER HB3 H 1 3.96 0.02 . 1 . . . . 59 SER HB3 . 7419 1 607 . 1 1 59 59 SER C C 13 174.02 0.20 . 1 . . . . 59 SER C . 7419 1 608 . 1 1 59 59 SER CA C 13 58.39 0.20 . 1 . . . . 59 SER CA . 7419 1 609 . 1 1 59 59 SER CB C 13 63.41 0.20 . 1 . . . . 59 SER CB . 7419 1 610 . 1 1 59 59 SER N N 15 112.25 0.20 . 1 . . . . 59 SER N . 7419 1 611 . 1 1 60 60 ILE H H 1 7.52 0.02 . 1 . . . . 60 ILE H . 7419 1 612 . 1 1 60 60 ILE HA H 1 4.24 0.02 . 1 . . . . 60 ILE HA . 7419 1 613 . 1 1 60 60 ILE HB H 1 2.03 0.02 . 1 . . . . 60 ILE HB . 7419 1 614 . 1 1 60 60 ILE HD11 H 1 0.83 0.02 . 1 . . . . 60 ILE HD1 . 7419 1 615 . 1 1 60 60 ILE HD12 H 1 0.83 0.02 . 1 . . . . 60 ILE HD1 . 7419 1 616 . 1 1 60 60 ILE HD13 H 1 0.83 0.02 . 1 . . . . 60 ILE HD1 . 7419 1 617 . 1 1 60 60 ILE HG12 H 1 1.49 0.02 . 2 . . . . 60 ILE HG12 . 7419 1 618 . 1 1 60 60 ILE HG13 H 1 1.45 0.02 . 2 . . . . 60 ILE HG13 . 7419 1 619 . 1 1 60 60 ILE HG21 H 1 0.96 0.02 . 1 . . . . 60 ILE HG2 . 7419 1 620 . 1 1 60 60 ILE HG22 H 1 0.96 0.02 . 1 . . . . 60 ILE HG2 . 7419 1 621 . 1 1 60 60 ILE HG23 H 1 0.96 0.02 . 1 . . . . 60 ILE HG2 . 7419 1 622 . 1 1 60 60 ILE C C 13 175.06 0.20 . 1 . . . . 60 ILE C . 7419 1 623 . 1 1 60 60 ILE CA C 13 59.84 0.20 . 1 . . . . 60 ILE CA . 7419 1 624 . 1 1 60 60 ILE CB C 13 37.96 0.20 . 1 . . . . 60 ILE CB . 7419 1 625 . 1 1 60 60 ILE CD1 C 13 12.66 0.20 . 1 . . . . 60 ILE CD1 . 7419 1 626 . 1 1 60 60 ILE CG1 C 13 27.83 0.20 . 1 . . . . 60 ILE CG1 . 7419 1 627 . 1 1 60 60 ILE CG2 C 13 17.89 0.20 . 1 . . . . 60 ILE CG2 . 7419 1 628 . 1 1 60 60 ILE N N 15 122.54 0.20 . 1 . . . . 60 ILE N . 7419 1 629 . 1 1 61 61 SER H H 1 8.54 0.02 . 1 . . . . 61 SER H . 7419 1 630 . 1 1 61 61 SER HA H 1 4.51 0.02 . 1 . . . . 61 SER HA . 7419 1 631 . 1 1 61 61 SER HB2 H 1 4.22 0.02 . 2 . . . . 61 SER HB2 . 7419 1 632 . 1 1 61 61 SER HB3 H 1 3.91 0.02 . 2 . . . . 61 SER HB3 . 7419 1 633 . 1 1 61 61 SER C C 13 175.98 0.20 . 1 . . . . 61 SER C . 7419 1 634 . 1 1 61 61 SER CA C 13 57.85 0.20 . 1 . . . . 61 SER CA . 7419 1 635 . 1 1 61 61 SER CB C 13 64.60 0.20 . 1 . . . . 61 SER CB . 7419 1 636 . 1 1 61 61 SER N N 15 120.71 0.20 . 1 . . . . 61 SER N . 7419 1 637 . 1 1 62 62 GLU H H 1 9.13 0.02 . 1 . . . . 62 GLU H . 7419 1 638 . 1 1 62 62 GLU HA H 1 4.03 0.02 . 1 . . . . 62 GLU HA . 7419 1 639 . 1 1 62 62 GLU HB2 H 1 2.16 0.02 . 2 . . . . 62 GLU HB2 . 7419 1 640 . 1 1 62 62 GLU HB3 H 1 2.08 0.02 . 2 . . . . 62 GLU HB3 . 7419 1 641 . 1 1 62 62 GLU HG2 H 1 2.36 0.02 . 1 . . . . 62 GLU HG2 . 7419 1 642 . 1 1 62 62 GLU HG3 H 1 2.36 0.02 . 1 . . . . 62 GLU HG3 . 7419 1 643 . 1 1 62 62 GLU C C 13 178.49 0.20 . 1 . . . . 62 GLU C . 7419 1 644 . 1 1 62 62 GLU CA C 13 60.00 0.20 . 1 . . . . 62 GLU CA . 7419 1 645 . 1 1 62 62 GLU CB C 13 29.54 0.20 . 1 . . . . 62 GLU CB . 7419 1 646 . 1 1 62 62 GLU CG C 13 36.20 0.20 . 1 . . . . 62 GLU CG . 7419 1 647 . 1 1 62 62 GLU N N 15 124.48 0.20 . 1 . . . . 62 GLU N . 7419 1 648 . 1 1 63 63 LEU H H 1 7.98 0.02 . 1 . . . . 63 LEU H . 7419 1 649 . 1 1 63 63 LEU HA H 1 4.20 0.02 . 1 . . . . 63 LEU HA . 7419 1 650 . 1 1 63 63 LEU HB2 H 1 1.72 0.02 . 2 . . . . 63 LEU HB2 . 7419 1 651 . 1 1 63 63 LEU HB3 H 1 1.65 0.02 . 2 . . . . 63 LEU HB3 . 7419 1 652 . 1 1 63 63 LEU HD11 H 1 0.95 0.02 . 2 . . . . 63 LEU HD1 . 7419 1 653 . 1 1 63 63 LEU HD12 H 1 0.95 0.02 . 2 . . . . 63 LEU HD1 . 7419 1 654 . 1 1 63 63 LEU HD13 H 1 0.95 0.02 . 2 . . . . 63 LEU HD1 . 7419 1 655 . 1 1 63 63 LEU HD21 H 1 0.92 0.02 . 2 . . . . 63 LEU HD2 . 7419 1 656 . 1 1 63 63 LEU HD22 H 1 0.92 0.02 . 2 . . . . 63 LEU HD2 . 7419 1 657 . 1 1 63 63 LEU HD23 H 1 0.92 0.02 . 2 . . . . 63 LEU HD2 . 7419 1 658 . 1 1 63 63 LEU HG H 1 1.72 0.02 . 1 . . . . 63 LEU HG . 7419 1 659 . 1 1 63 63 LEU C C 13 178.48 0.20 . 1 . . . . 63 LEU C . 7419 1 660 . 1 1 63 63 LEU CA C 13 57.07 0.20 . 1 . . . . 63 LEU CA . 7419 1 661 . 1 1 63 63 LEU CB C 13 42.01 0.20 . 1 . . . . 63 LEU CB . 7419 1 662 . 1 1 63 63 LEU CD1 C 13 24.91 0.20 . 2 . . . . 63 LEU CD1 . 7419 1 663 . 1 1 63 63 LEU CD2 C 13 23.45 0.20 . 2 . . . . 63 LEU CD2 . 7419 1 664 . 1 1 63 63 LEU CG C 13 27.22 0.20 . 1 . . . . 63 LEU CG . 7419 1 665 . 1 1 63 63 LEU N N 15 116.90 0.20 . 1 . . . . 63 LEU N . 7419 1 666 . 1 1 64 64 GLU H H 1 7.61 0.02 . 1 . . . . 64 GLU H . 7419 1 667 . 1 1 64 64 GLU HA H 1 4.49 0.02 . 1 . . . . 64 GLU HA . 7419 1 668 . 1 1 64 64 GLU HB2 H 1 2.21 0.02 . 2 . . . . 64 GLU HB2 . 7419 1 669 . 1 1 64 64 GLU HB3 H 1 2.04 0.02 . 2 . . . . 64 GLU HB3 . 7419 1 670 . 1 1 64 64 GLU HG2 H 1 2.33 0.02 . 2 . . . . 64 GLU HG2 . 7419 1 671 . 1 1 64 64 GLU HG3 H 1 2.25 0.02 . 2 . . . . 64 GLU HG3 . 7419 1 672 . 1 1 64 64 GLU C C 13 177.25 0.20 . 1 . . . . 64 GLU C . 7419 1 673 . 1 1 64 64 GLU CA C 13 56.42 0.20 . 1 . . . . 64 GLU CA . 7419 1 674 . 1 1 64 64 GLU CB C 13 31.45 0.20 . 1 . . . . 64 GLU CB . 7419 1 675 . 1 1 64 64 GLU CG C 13 36.91 0.20 . 1 . . . . 64 GLU CG . 7419 1 676 . 1 1 64 64 GLU N N 15 117.18 0.20 . 1 . . . . 64 GLU N . 7419 1 677 . 1 1 65 65 LEU H H 1 7.50 0.02 . 1 . . . . 65 LEU H . 7419 1 678 . 1 1 65 65 LEU HA H 1 3.90 0.02 . 1 . . . . 65 LEU HA . 7419 1 679 . 1 1 65 65 LEU HB2 H 1 1.82 0.02 . 2 . . . . 65 LEU HB2 . 7419 1 680 . 1 1 65 65 LEU HB3 H 1 1.65 0.02 . 2 . . . . 65 LEU HB3 . 7419 1 681 . 1 1 65 65 LEU HD11 H 1 0.91 0.02 . 1 . . . . 65 LEU HD1 . 7419 1 682 . 1 1 65 65 LEU HD12 H 1 0.91 0.02 . 1 . . . . 65 LEU HD1 . 7419 1 683 . 1 1 65 65 LEU HD13 H 1 0.91 0.02 . 1 . . . . 65 LEU HD1 . 7419 1 684 . 1 1 65 65 LEU HD21 H 1 0.91 0.02 . 1 . . . . 65 LEU HD2 . 7419 1 685 . 1 1 65 65 LEU HD22 H 1 0.91 0.02 . 1 . . . . 65 LEU HD2 . 7419 1 686 . 1 1 65 65 LEU HD23 H 1 0.91 0.02 . 1 . . . . 65 LEU HD2 . 7419 1 687 . 1 1 65 65 LEU HG H 1 1.57 0.02 . 1 . . . . 65 LEU HG . 7419 1 688 . 1 1 65 65 LEU C C 13 177.29 0.20 . 1 . . . . 65 LEU C . 7419 1 689 . 1 1 65 65 LEU CA C 13 59.10 0.20 . 1 . . . . 65 LEU CA . 7419 1 690 . 1 1 65 65 LEU CB C 13 42.08 0.20 . 1 . . . . 65 LEU CB . 7419 1 691 . 1 1 65 65 LEU CD1 C 13 25.86 0.20 . 2 . . . . 65 LEU CD1 . 7419 1 692 . 1 1 65 65 LEU CD2 C 13 24.33 0.20 . 2 . . . . 65 LEU CD2 . 7419 1 693 . 1 1 65 65 LEU N N 15 121.14 0.20 . 1 . . . . 65 LEU N . 7419 1 694 . 1 1 66 66 GLU H H 1 8.56 0.02 . 1 . . . . 66 GLU H . 7419 1 695 . 1 1 66 66 GLU HA H 1 3.88 0.02 . 1 . . . . 66 GLU HA . 7419 1 696 . 1 1 66 66 GLU HB2 H 1 2.08 0.02 . 2 . . . . 66 GLU HB2 . 7419 1 697 . 1 1 66 66 GLU HB3 H 1 2.00 0.02 . 2 . . . . 66 GLU HB3 . 7419 1 698 . 1 1 66 66 GLU HG2 H 1 2.37 0.02 . 2 . . . . 66 GLU HG2 . 7419 1 699 . 1 1 66 66 GLU HG3 H 1 2.29 0.02 . 2 . . . . 66 GLU HG3 . 7419 1 700 . 1 1 66 66 GLU C C 13 179.23 0.20 . 1 . . . . 66 GLU C . 7419 1 701 . 1 1 66 66 GLU CA C 13 60.32 0.20 . 1 . . . . 66 GLU CA . 7419 1 702 . 1 1 66 66 GLU CB C 13 28.80 0.20 . 1 . . . . 66 GLU CB . 7419 1 703 . 1 1 66 66 GLU CG C 13 36.30 0.20 . 1 . . . . 66 GLU CG . 7419 1 704 . 1 1 66 66 GLU N N 15 117.72 0.20 . 1 . . . . 66 GLU N . 7419 1 705 . 1 1 67 67 ASP H H 1 8.26 0.02 . 1 . . . . 67 ASP H . 7419 1 706 . 1 1 67 67 ASP HA H 1 4.42 0.02 . 1 . . . . 67 ASP HA . 7419 1 707 . 1 1 67 67 ASP HB2 H 1 2.73 0.02 . 2 . . . . 67 ASP HB2 . 7419 1 708 . 1 1 67 67 ASP HB3 H 1 2.65 0.02 . 2 . . . . 67 ASP HB3 . 7419 1 709 . 1 1 67 67 ASP C C 13 178.25 0.20 . 1 . . . . 67 ASP C . 7419 1 710 . 1 1 67 67 ASP CA C 13 57.24 0.20 . 1 . . . . 67 ASP CA . 7419 1 711 . 1 1 67 67 ASP CB C 13 41.48 0.20 . 1 . . . . 67 ASP CB . 7419 1 712 . 1 1 67 67 ASP N N 15 119.54 0.20 . 1 . . . . 67 ASP N . 7419 1 713 . 1 1 68 68 LYS H H 1 8.11 0.02 . 1 . . . . 68 LYS H . 7419 1 714 . 1 1 68 68 LYS HA H 1 4.10 0.02 . 1 . . . . 68 LYS HA . 7419 1 715 . 1 1 68 68 LYS HB2 H 1 1.99 0.02 . 2 . . . . 68 LYS HB2 . 7419 1 716 . 1 1 68 68 LYS HB3 H 1 1.92 0.02 . 2 . . . . 68 LYS HB3 . 7419 1 717 . 1 1 68 68 LYS HD2 H 1 1.77 0.02 . 2 . . . . 68 LYS HD2 . 7419 1 718 . 1 1 68 68 LYS HD3 H 1 1.73 0.02 . 2 . . . . 68 LYS HD3 . 7419 1 719 . 1 1 68 68 LYS HE2 H 1 2.86 0.02 . 2 . . . . 68 LYS HE2 . 7419 1 720 . 1 1 68 68 LYS HE3 H 1 2.96 0.02 . 2 . . . . 68 LYS HE3 . 7419 1 721 . 1 1 68 68 LYS HG2 H 1 1.50 0.02 . 1 . . . . 68 LYS HG2 . 7419 1 722 . 1 1 68 68 LYS HG3 H 1 1.50 0.02 . 1 . . . . 68 LYS HG3 . 7419 1 723 . 1 1 68 68 LYS C C 13 178.95 0.20 . 1 . . . . 68 LYS C . 7419 1 724 . 1 1 68 68 LYS CA C 13 58.51 0.20 . 1 . . . . 68 LYS CA . 7419 1 725 . 1 1 68 68 LYS CB C 13 31.77 0.20 . 1 . . . . 68 LYS CB . 7419 1 726 . 1 1 68 68 LYS CD C 13 28.27 0.20 . 1 . . . . 68 LYS CD . 7419 1 727 . 1 1 68 68 LYS CE C 13 42.01 0.20 . 1 . . . . 68 LYS CE . 7419 1 728 . 1 1 68 68 LYS CG C 13 24.69 0.20 . 1 . . . . 68 LYS CG . 7419 1 729 . 1 1 68 68 LYS N N 15 119.54 0.20 . 1 . . . . 68 LYS N . 7419 1 730 . 1 1 69 69 LEU H H 1 8.78 0.02 . 1 . . . . 69 LEU H . 7419 1 731 . 1 1 69 69 LEU HA H 1 3.95 0.02 . 1 . . . . 69 LEU HA . 7419 1 732 . 1 1 69 69 LEU HB2 H 1 1.97 0.02 . 2 . . . . 69 LEU HB2 . 7419 1 733 . 1 1 69 69 LEU HB3 H 1 1.31 0.02 . 2 . . . . 69 LEU HB3 . 7419 1 734 . 1 1 69 69 LEU HD11 H 1 0.82 0.02 . 2 . . . . 69 LEU HD1 . 7419 1 735 . 1 1 69 69 LEU HD12 H 1 0.82 0.02 . 2 . . . . 69 LEU HD1 . 7419 1 736 . 1 1 69 69 LEU HD13 H 1 0.82 0.02 . 2 . . . . 69 LEU HD1 . 7419 1 737 . 1 1 69 69 LEU HD21 H 1 0.89 0.02 . 2 . . . . 69 LEU HD2 . 7419 1 738 . 1 1 69 69 LEU HD22 H 1 0.89 0.02 . 2 . . . . 69 LEU HD2 . 7419 1 739 . 1 1 69 69 LEU HD23 H 1 0.89 0.02 . 2 . . . . 69 LEU HD2 . 7419 1 740 . 1 1 69 69 LEU HG H 1 1.75 0.02 . 1 . . . . 69 LEU HG . 7419 1 741 . 1 1 69 69 LEU C C 13 177.87 0.20 . 1 . . . . 69 LEU C . 7419 1 742 . 1 1 69 69 LEU CA C 13 58.39 0.20 . 1 . . . . 69 LEU CA . 7419 1 743 . 1 1 69 69 LEU CB C 13 41.67 0.20 . 1 . . . . 69 LEU CB . 7419 1 744 . 1 1 69 69 LEU CD1 C 13 24.99 0.20 . 2 . . . . 69 LEU CD1 . 7419 1 745 . 1 1 69 69 LEU CD2 C 13 23.61 0.20 . 2 . . . . 69 LEU CD2 . 7419 1 746 . 1 1 69 69 LEU CG C 13 27.22 0.20 . 1 . . . . 69 LEU CG . 7419 1 747 . 1 1 69 69 LEU N N 15 118.16 0.20 . 1 . . . . 69 LEU N . 7419 1 748 . 1 1 70 70 GLU H H 1 7.80 0.02 . 1 . . . . 70 GLU H . 7419 1 749 . 1 1 70 70 GLU HA H 1 3.84 0.02 . 1 . . . . 70 GLU HA . 7419 1 750 . 1 1 70 70 GLU HB2 H 1 2.14 0.02 . 1 . . . . 70 GLU HB2 . 7419 1 751 . 1 1 70 70 GLU HB3 H 1 2.14 0.02 . 1 . . . . 70 GLU HB3 . 7419 1 752 . 1 1 70 70 GLU HG2 H 1 2.26 0.02 . 1 . . . . 70 GLU HG2 . 7419 1 753 . 1 1 70 70 GLU HG3 H 1 2.26 0.02 . 1 . . . . 70 GLU HG3 . 7419 1 754 . 1 1 70 70 GLU C C 13 178.38 0.20 . 1 . . . . 70 GLU C . 7419 1 755 . 1 1 70 70 GLU CA C 13 59.72 0.20 . 1 . . . . 70 GLU CA . 7419 1 756 . 1 1 70 70 GLU CB C 13 29.22 0.20 . 1 . . . . 70 GLU CB . 7419 1 757 . 1 1 70 70 GLU CG C 13 35.67 0.20 . 1 . . . . 70 GLU CG . 7419 1 758 . 1 1 70 70 GLU N N 15 118.44 0.20 . 1 . . . . 70 GLU N . 7419 1 759 . 1 1 71 71 LYS H H 1 7.75 0.02 . 1 . . . . 71 LYS H . 7419 1 760 . 1 1 71 71 LYS HA H 1 4.01 0.02 . 1 . . . . 71 LYS HA . 7419 1 761 . 1 1 71 71 LYS HB2 H 1 2.07 0.02 . 2 . . . . 71 LYS HB2 . 7419 1 762 . 1 1 71 71 LYS HB3 H 1 1.95 0.02 . 2 . . . . 71 LYS HB3 . 7419 1 763 . 1 1 71 71 LYS HD2 H 1 1.74 0.02 . 2 . . . . 71 LYS HD2 . 7419 1 764 . 1 1 71 71 LYS HD3 H 1 1.67 0.02 . 2 . . . . 71 LYS HD3 . 7419 1 765 . 1 1 71 71 LYS HE2 H 1 3.04 0.02 . 1 . . . . 71 LYS HE2 . 7419 1 766 . 1 1 71 71 LYS HE3 H 1 3.04 0.02 . 1 . . . . 71 LYS HE3 . 7419 1 767 . 1 1 71 71 LYS HG2 H 1 1.74 0.02 . 2 . . . . 71 LYS HG2 . 7419 1 768 . 1 1 71 71 LYS HG3 H 1 1.54 0.02 . 2 . . . . 71 LYS HG3 . 7419 1 769 . 1 1 71 71 LYS C C 13 180.19 0.20 . 1 . . . . 71 LYS C . 7419 1 770 . 1 1 71 71 LYS CA C 13 59.95 0.20 . 1 . . . . 71 LYS CA . 7419 1 771 . 1 1 71 71 LYS CB C 13 32.78 0.20 . 1 . . . . 71 LYS CB . 7419 1 772 . 1 1 71 71 LYS CD C 13 29.48 0.20 . 1 . . . . 71 LYS CD . 7419 1 773 . 1 1 71 71 LYS CE C 13 42.25 0.20 . 1 . . . . 71 LYS CE . 7419 1 774 . 1 1 71 71 LYS CG C 13 26.03 0.20 . 1 . . . . 71 LYS CG . 7419 1 775 . 1 1 71 71 LYS N N 15 118.09 0.20 . 1 . . . . 71 LYS N . 7419 1 776 . 1 1 72 72 ILE H H 1 8.39 0.02 . 1 . . . . 72 ILE H . 7419 1 777 . 1 1 72 72 ILE HA H 1 3.63 0.02 . 1 . . . . 72 ILE HA . 7419 1 778 . 1 1 72 72 ILE HB H 1 2.03 0.02 . 1 . . . . 72 ILE HB . 7419 1 779 . 1 1 72 72 ILE HD11 H 1 0.86 0.02 . 1 . . . . 72 ILE HD1 . 7419 1 780 . 1 1 72 72 ILE HD12 H 1 0.86 0.02 . 1 . . . . 72 ILE HD1 . 7419 1 781 . 1 1 72 72 ILE HD13 H 1 0.86 0.02 . 1 . . . . 72 ILE HD1 . 7419 1 782 . 1 1 72 72 ILE HG12 H 1 2.04 0.02 . 2 . . . . 72 ILE HG12 . 7419 1 783 . 1 1 72 72 ILE HG13 H 1 0.86 0.02 . 2 . . . . 72 ILE HG13 . 7419 1 784 . 1 1 72 72 ILE HG21 H 1 0.99 0.02 . 1 . . . . 72 ILE HG2 . 7419 1 785 . 1 1 72 72 ILE HG22 H 1 0.99 0.02 . 1 . . . . 72 ILE HG2 . 7419 1 786 . 1 1 72 72 ILE HG23 H 1 0.99 0.02 . 1 . . . . 72 ILE HG2 . 7419 1 787 . 1 1 72 72 ILE C C 13 177.50 0.20 . 1 . . . . 72 ILE C . 7419 1 788 . 1 1 72 72 ILE CA C 13 65.66 0.20 . 1 . . . . 72 ILE CA . 7419 1 789 . 1 1 72 72 ILE CB C 13 38.61 0.20 . 1 . . . . 72 ILE CB . 7419 1 790 . 1 1 72 72 ILE CD1 C 13 15.36 0.20 . 1 . . . . 72 ILE CD1 . 7419 1 791 . 1 1 72 72 ILE CG1 C 13 29.97 0.20 . 1 . . . . 72 ILE CG1 . 7419 1 792 . 1 1 72 72 ILE CG2 C 13 17.10 0.20 . 1 . . . . 72 ILE CG2 . 7419 1 793 . 1 1 72 72 ILE N N 15 121.35 0.20 . 1 . . . . 72 ILE N . 7419 1 794 . 1 1 73 73 ILE H H 1 8.63 0.02 . 1 . . . . 73 ILE H . 7419 1 795 . 1 1 73 73 ILE HA H 1 3.10 0.02 . 1 . . . . 73 ILE HA . 7419 1 796 . 1 1 73 73 ILE HB H 1 1.48 0.02 . 1 . . . . 73 ILE HB . 7419 1 797 . 1 1 73 73 ILE HD11 H 1 0.22 0.02 . 1 . . . . 73 ILE HD1 . 7419 1 798 . 1 1 73 73 ILE HD12 H 1 0.22 0.02 . 1 . . . . 73 ILE HD1 . 7419 1 799 . 1 1 73 73 ILE HD13 H 1 0.22 0.02 . 1 . . . . 73 ILE HD1 . 7419 1 800 . 1 1 73 73 ILE HG12 H 1 1.17 0.02 . 2 . . . . 73 ILE HG12 . 7419 1 801 . 1 1 73 73 ILE HG13 H 1 -0.90 0.02 . 2 . . . . 73 ILE HG13 . 7419 1 802 . 1 1 73 73 ILE HG21 H 1 0.51 0.02 . 1 . . . . 73 ILE HG2 . 7419 1 803 . 1 1 73 73 ILE HG22 H 1 0.51 0.02 . 1 . . . . 73 ILE HG2 . 7419 1 804 . 1 1 73 73 ILE HG23 H 1 0.51 0.02 . 1 . . . . 73 ILE HG2 . 7419 1 805 . 1 1 73 73 ILE C C 13 177.93 0.20 . 1 . . . . 73 ILE C . 7419 1 806 . 1 1 73 73 ILE CA C 13 66.34 0.20 . 1 . . . . 73 ILE CA . 7419 1 807 . 1 1 73 73 ILE CB C 13 37.34 0.20 . 1 . . . . 73 ILE CB . 7419 1 808 . 1 1 73 73 ILE CD1 C 13 13.92 0.20 . 1 . . . . 73 ILE CD1 . 7419 1 809 . 1 1 73 73 ILE CG1 C 13 29.65 0.20 . 1 . . . . 73 ILE CG1 . 7419 1 810 . 1 1 73 73 ILE CG2 C 13 17.35 0.20 . 1 . . . . 73 ILE CG2 . 7419 1 811 . 1 1 73 73 ILE N N 15 121.02 0.20 . 1 . . . . 73 ILE N . 7419 1 812 . 1 1 74 74 ASN H H 1 8.41 0.02 . 1 . . . . 74 ASN H . 7419 1 813 . 1 1 74 74 ASN HA H 1 4.38 0.02 . 1 . . . . 74 ASN HA . 7419 1 814 . 1 1 74 74 ASN HB2 H 1 2.96 0.02 . 2 . . . . 74 ASN HB2 . 7419 1 815 . 1 1 74 74 ASN HB3 H 1 2.76 0.02 . 2 . . . . 74 ASN HB3 . 7419 1 816 . 1 1 74 74 ASN HD21 H 1 7.66 0.02 . 2 . . . . 74 ASN HD21 . 7419 1 817 . 1 1 74 74 ASN HD22 H 1 7.08 0.02 . 2 . . . . 74 ASN HD22 . 7419 1 818 . 1 1 74 74 ASN C C 13 177.70 0.20 . 1 . . . . 74 ASN C . 7419 1 819 . 1 1 74 74 ASN CA C 13 56.07 0.20 . 1 . . . . 74 ASN CA . 7419 1 820 . 1 1 74 74 ASN CB C 13 37.90 0.20 . 1 . . . . 74 ASN CB . 7419 1 821 . 1 1 74 74 ASN N N 15 117.76 0.20 . 1 . . . . 74 ASN N . 7419 1 822 . 1 1 74 74 ASN ND2 N 15 111.60 0.20 . 1 . . . . 74 ASN ND2 . 7419 1 823 . 1 1 75 75 ALA H H 1 7.74 0.02 . 1 . . . . 75 ALA H . 7419 1 824 . 1 1 75 75 ALA HA H 1 4.23 0.02 . 1 . . . . 75 ALA HA . 7419 1 825 . 1 1 75 75 ALA HB1 H 1 1.62 0.02 . 1 . . . . 75 ALA HB . 7419 1 826 . 1 1 75 75 ALA HB2 H 1 1.62 0.02 . 1 . . . . 75 ALA HB . 7419 1 827 . 1 1 75 75 ALA HB3 H 1 1.62 0.02 . 1 . . . . 75 ALA HB . 7419 1 828 . 1 1 75 75 ALA C C 13 180.92 0.20 . 1 . . . . 75 ALA C . 7419 1 829 . 1 1 75 75 ALA CA C 13 54.97 0.20 . 1 . . . . 75 ALA CA . 7419 1 830 . 1 1 75 75 ALA CB C 13 18.06 0.20 . 1 . . . . 75 ALA CB . 7419 1 831 . 1 1 75 75 ALA N N 15 120.82 0.20 . 1 . . . . 75 ALA N . 7419 1 832 . 1 1 76 76 VAL H H 1 8.43 0.02 . 1 . . . . 76 VAL H . 7419 1 833 . 1 1 76 76 VAL HA H 1 3.59 0.02 . 1 . . . . 76 VAL HA . 7419 1 834 . 1 1 76 76 VAL HB H 1 2.49 0.02 . 1 . . . . 76 VAL HB . 7419 1 835 . 1 1 76 76 VAL HG11 H 1 1.13 0.02 . 2 . . . . 76 VAL HG1 . 7419 1 836 . 1 1 76 76 VAL HG12 H 1 1.13 0.02 . 2 . . . . 76 VAL HG1 . 7419 1 837 . 1 1 76 76 VAL HG13 H 1 1.13 0.02 . 2 . . . . 76 VAL HG1 . 7419 1 838 . 1 1 76 76 VAL HG21 H 1 1.01 0.02 . 2 . . . . 76 VAL HG2 . 7419 1 839 . 1 1 76 76 VAL HG22 H 1 1.01 0.02 . 2 . . . . 76 VAL HG2 . 7419 1 840 . 1 1 76 76 VAL HG23 H 1 1.01 0.02 . 2 . . . . 76 VAL HG2 . 7419 1 841 . 1 1 76 76 VAL C C 13 177.36 0.20 . 1 . . . . 76 VAL C . 7419 1 842 . 1 1 76 76 VAL CA C 13 67.09 0.20 . 1 . . . . 76 VAL CA . 7419 1 843 . 1 1 76 76 VAL CB C 13 31.40 0.20 . 1 . . . . 76 VAL CB . 7419 1 844 . 1 1 76 76 VAL CG1 C 13 23.82 0.20 . 2 . . . . 76 VAL CG1 . 7419 1 845 . 1 1 76 76 VAL CG2 C 13 22.77 0.20 . 2 . . . . 76 VAL CG2 . 7419 1 846 . 1 1 76 76 VAL N N 15 122.12 0.20 . 1 . . . . 76 VAL N . 7419 1 847 . 1 1 77 77 GLU H H 1 8.22 0.02 . 1 . . . . 77 GLU H . 7419 1 848 . 1 1 77 77 GLU HA H 1 4.06 0.02 . 1 . . . . 77 GLU HA . 7419 1 849 . 1 1 77 77 GLU HB2 H 1 2.15 0.02 . 2 . . . . 77 GLU HB2 . 7419 1 850 . 1 1 77 77 GLU HB3 H 1 2.11 0.02 . 2 . . . . 77 GLU HB3 . 7419 1 851 . 1 1 77 77 GLU HG2 H 1 2.54 0.02 . 2 . . . . 77 GLU HG2 . 7419 1 852 . 1 1 77 77 GLU HG3 H 1 2.21 0.02 . 2 . . . . 77 GLU HG3 . 7419 1 853 . 1 1 77 77 GLU C C 13 177.27 0.20 . 1 . . . . 77 GLU C . 7419 1 854 . 1 1 77 77 GLU CA C 13 58.89 0.20 . 1 . . . . 77 GLU CA . 7419 1 855 . 1 1 77 77 GLU CB C 13 30.05 0.20 . 1 . . . . 77 GLU CB . 7419 1 856 . 1 1 77 77 GLU CG C 13 37.66 0.20 . 1 . . . . 77 GLU CG . 7419 1 857 . 1 1 77 77 GLU N N 15 114.96 0.20 . 1 . . . . 77 GLU N . 7419 1 858 . 1 1 78 78 LYS H H 1 7.26 0.02 . 1 . . . . 78 LYS H . 7419 1 859 . 1 1 78 78 LYS HA H 1 4.29 0.02 . 1 . . . . 78 LYS HA . 7419 1 860 . 1 1 78 78 LYS HB2 H 1 1.98 0.02 . 2 . . . . 78 LYS HB2 . 7419 1 861 . 1 1 78 78 LYS HB3 H 1 1.92 0.02 . 2 . . . . 78 LYS HB3 . 7419 1 862 . 1 1 78 78 LYS HD2 H 1 1.71 0.02 . 1 . . . . 78 LYS HD2 . 7419 1 863 . 1 1 78 78 LYS HD3 H 1 1.71 0.02 . 1 . . . . 78 LYS HD3 . 7419 1 864 . 1 1 78 78 LYS HE2 H 1 2.99 0.02 . 1 . . . . 78 LYS HE2 . 7419 1 865 . 1 1 78 78 LYS HE3 H 1 2.99 0.02 . 1 . . . . 78 LYS HE3 . 7419 1 866 . 1 1 78 78 LYS HG2 H 1 1.65 0.02 . 2 . . . . 78 LYS HG2 . 7419 1 867 . 1 1 78 78 LYS HG3 H 1 1.57 0.02 . 2 . . . . 78 LYS HG3 . 7419 1 868 . 1 1 78 78 LYS C C 13 177.53 0.20 . 1 . . . . 78 LYS C . 7419 1 869 . 1 1 78 78 LYS CA C 13 56.89 0.20 . 1 . . . . 78 LYS CA . 7419 1 870 . 1 1 78 78 LYS CB C 13 32.98 0.20 . 1 . . . . 78 LYS CB . 7419 1 871 . 1 1 78 78 LYS CD C 13 29.25 0.20 . 1 . . . . 78 LYS CD . 7419 1 872 . 1 1 78 78 LYS CE C 13 42.12 0.20 . 1 . . . . 78 LYS CE . 7419 1 873 . 1 1 78 78 LYS CG C 13 25.00 0.20 . 1 . . . . 78 LYS CG . 7419 1 874 . 1 1 78 78 LYS N N 15 116.04 0.20 . 1 . . . . 78 LYS N . 7419 1 875 . 1 1 79 79 GLN H H 1 7.70 0.02 . 1 . . . . 79 GLN H . 7419 1 876 . 1 1 79 79 GLN HA H 1 4.48 0.02 . 1 . . . . 79 GLN HA . 7419 1 877 . 1 1 79 79 GLN HB2 H 1 2.20 0.02 . 2 . . . . 79 GLN HB2 . 7419 1 878 . 1 1 79 79 GLN HB3 H 1 2.15 0.02 . 2 . . . . 79 GLN HB3 . 7419 1 879 . 1 1 79 79 GLN HE21 H 1 7.58 0.02 . 2 . . . . 79 GLN HE21 . 7419 1 880 . 1 1 79 79 GLN HE22 H 1 6.95 0.02 . 2 . . . . 79 GLN HE22 . 7419 1 881 . 1 1 79 79 GLN HG2 H 1 2.57 0.02 . 1 . . . . 79 GLN HG2 . 7419 1 882 . 1 1 79 79 GLN HG3 H 1 2.57 0.02 . 1 . . . . 79 GLN HG3 . 7419 1 883 . 1 1 79 79 GLN CA C 13 54.14 0.20 . 1 . . . . 79 GLN CA . 7419 1 884 . 1 1 79 79 GLN CB C 13 28.13 0.20 . 1 . . . . 79 GLN CB . 7419 1 885 . 1 1 79 79 GLN CG C 13 33.82 0.20 . 1 . . . . 79 GLN CG . 7419 1 886 . 1 1 79 79 GLN N N 15 120.27 0.20 . 1 . . . . 79 GLN N . 7419 1 887 . 1 1 79 79 GLN NE2 N 15 112.41 0.20 . 1 . . . . 79 GLN NE2 . 7419 1 888 . 1 1 80 80 PRO HA H 1 4.63 0.02 . 1 . . . . 80 PRO HA . 7419 1 889 . 1 1 80 80 PRO HB2 H 1 2.09 0.02 . 1 . . . . 80 PRO HB2 . 7419 1 890 . 1 1 80 80 PRO HB3 H 1 2.09 0.02 . 1 . . . . 80 PRO HB3 . 7419 1 891 . 1 1 80 80 PRO HD2 H 1 3.75 0.02 . 2 . . . . 80 PRO HD2 . 7419 1 892 . 1 1 80 80 PRO HD3 H 1 3.68 0.02 . 2 . . . . 80 PRO HD3 . 7419 1 893 . 1 1 80 80 PRO HG2 H 1 2.16 0.02 . 2 . . . . 80 PRO HG2 . 7419 1 894 . 1 1 80 80 PRO HG3 H 1 2.08 0.02 . 2 . . . . 80 PRO HG3 . 7419 1 895 . 1 1 80 80 PRO C C 13 176.27 0.20 . 1 . . . . 80 PRO C . 7419 1 896 . 1 1 80 80 PRO CA C 13 62.53 0.20 . 1 . . . . 80 PRO CA . 7419 1 897 . 1 1 80 80 PRO CB C 13 29.50 0.20 . 1 . . . . 80 PRO CB . 7419 1 898 . 1 1 80 80 PRO CD C 13 49.80 0.20 . 1 . . . . 80 PRO CD . 7419 1 899 . 1 1 80 80 PRO CG C 13 27.84 0.20 . 1 . . . . 80 PRO CG . 7419 1 900 . 1 1 81 81 LEU H H 1 8.26 0.02 . 1 . . . . 81 LEU H . 7419 1 901 . 1 1 81 81 LEU HA H 1 4.60 0.02 . 1 . . . . 81 LEU HA . 7419 1 902 . 1 1 81 81 LEU HB2 H 1 1.77 0.02 . 2 . . . . 81 LEU HB2 . 7419 1 903 . 1 1 81 81 LEU HB3 H 1 1.65 0.02 . 2 . . . . 81 LEU HB3 . 7419 1 904 . 1 1 81 81 LEU HD11 H 1 0.92 0.02 . 1 . . . . 81 LEU HD1 . 7419 1 905 . 1 1 81 81 LEU HD12 H 1 0.92 0.02 . 1 . . . . 81 LEU HD1 . 7419 1 906 . 1 1 81 81 LEU HD13 H 1 0.92 0.02 . 1 . . . . 81 LEU HD1 . 7419 1 907 . 1 1 81 81 LEU HD21 H 1 0.92 0.02 . 1 . . . . 81 LEU HD2 . 7419 1 908 . 1 1 81 81 LEU HD22 H 1 0.92 0.02 . 1 . . . . 81 LEU HD2 . 7419 1 909 . 1 1 81 81 LEU HD23 H 1 0.92 0.02 . 1 . . . . 81 LEU HD2 . 7419 1 910 . 1 1 81 81 LEU HG H 1 1.82 0.02 . 1 . . . . 81 LEU HG . 7419 1 911 . 1 1 81 81 LEU C C 13 178.07 0.20 . 1 . . . . 81 LEU C . 7419 1 912 . 1 1 81 81 LEU CA C 13 54.55 0.20 . 1 . . . . 81 LEU CA . 7419 1 913 . 1 1 81 81 LEU CB C 13 43.50 0.20 . 1 . . . . 81 LEU CB . 7419 1 914 . 1 1 81 81 LEU CD1 C 13 25.91 0.20 . 2 . . . . 81 LEU CD1 . 7419 1 915 . 1 1 81 81 LEU CD2 C 13 22.91 0.20 . 2 . . . . 81 LEU CD2 . 7419 1 916 . 1 1 81 81 LEU CG C 13 26.42 0.20 . 1 . . . . 81 LEU CG . 7419 1 917 . 1 1 81 81 LEU N N 15 125.83 0.20 . 1 . . . . 81 LEU N . 7419 1 918 . 1 1 82 82 SER H H 1 8.99 0.02 . 1 . . . . 82 SER H . 7419 1 919 . 1 1 82 82 SER HA H 1 4.55 0.02 . 1 . . . . 82 SER HA . 7419 1 920 . 1 1 82 82 SER HB2 H 1 4.03 0.02 . 2 . . . . 82 SER HB2 . 7419 1 921 . 1 1 82 82 SER HB3 H 1 3.93 0.02 . 2 . . . . 82 SER HB3 . 7419 1 922 . 1 1 82 82 SER CA C 13 58.57 0.20 . 1 . . . . 82 SER CA . 7419 1 923 . 1 1 82 82 SER CB C 13 63.93 0.20 . 1 . . . . 82 SER CB . 7419 1 924 . 1 1 82 82 SER N N 15 117.15 0.20 . 1 . . . . 82 SER N . 7419 1 925 . 1 1 83 83 SER H H 1 7.75 0.02 . 1 . . . . 83 SER H . 7419 1 926 . 1 1 83 83 SER HA H 1 4.67 0.02 . 1 . . . . 83 SER HA . 7419 1 927 . 1 1 83 83 SER HB2 H 1 4.10 0.02 . 2 . . . . 83 SER HB2 . 7419 1 928 . 1 1 83 83 SER HB3 H 1 3.88 0.02 . 2 . . . . 83 SER HB3 . 7419 1 929 . 1 1 83 83 SER C C 13 173.05 0.20 . 1 . . . . 83 SER C . 7419 1 930 . 1 1 83 83 SER CA C 13 57.03 0.20 . 1 . . . . 83 SER CA . 7419 1 931 . 1 1 83 83 SER CB C 13 64.76 0.20 . 1 . . . . 83 SER CB . 7419 1 932 . 1 1 83 83 SER N N 15 115.06 0.20 . 1 . . . . 83 SER N . 7419 1 933 . 1 1 84 84 ASN H H 1 8.43 0.02 . 1 . . . . 84 ASN H . 7419 1 934 . 1 1 84 84 ASN HA H 1 4.68 0.02 . 1 . . . . 84 ASN HA . 7419 1 935 . 1 1 84 84 ASN HB2 H 1 3.46 0.02 . 2 . . . . 84 ASN HB2 . 7419 1 936 . 1 1 84 84 ASN HB3 H 1 2.90 0.02 . 2 . . . . 84 ASN HB3 . 7419 1 937 . 1 1 84 84 ASN HD21 H 1 7.39 0.02 . 2 . . . . 84 ASN HD21 . 7419 1 938 . 1 1 84 84 ASN HD22 H 1 6.75 0.02 . 2 . . . . 84 ASN HD22 . 7419 1 939 . 1 1 84 84 ASN C C 13 173.08 0.20 . 1 . . . . 84 ASN C . 7419 1 940 . 1 1 84 84 ASN CA C 13 53.06 0.20 . 1 . . . . 84 ASN CA . 7419 1 941 . 1 1 84 84 ASN CB C 13 37.50 0.20 . 1 . . . . 84 ASN CB . 7419 1 942 . 1 1 84 84 ASN N N 15 118.87 0.20 . 1 . . . . 84 ASN N . 7419 1 943 . 1 1 84 84 ASN ND2 N 15 110.56 0.20 . 1 . . . . 84 ASN ND2 . 7419 1 944 . 1 1 85 85 MET H H 1 8.07 0.02 . 1 . . . . 85 MET H . 7419 1 945 . 1 1 85 85 MET HA H 1 4.91 0.02 . 1 . . . . 85 MET HA . 7419 1 946 . 1 1 85 85 MET HB2 H 1 1.96 0.02 . 2 . . . . 85 MET HB2 . 7419 1 947 . 1 1 85 85 MET HB3 H 1 1.85 0.02 . 2 . . . . 85 MET HB3 . 7419 1 948 . 1 1 85 85 MET HE1 H 1 1.99 0.02 . 1 . . . . 85 MET HE . 7419 1 949 . 1 1 85 85 MET HE2 H 1 1.99 0.02 . 1 . . . . 85 MET HE . 7419 1 950 . 1 1 85 85 MET HE3 H 1 1.99 0.02 . 1 . . . . 85 MET HE . 7419 1 951 . 1 1 85 85 MET HG2 H 1 2.46 0.02 . 2 . . . . 85 MET HG2 . 7419 1 952 . 1 1 85 85 MET HG3 H 1 2.27 0.02 . 2 . . . . 85 MET HG3 . 7419 1 953 . 1 1 85 85 MET C C 13 175.62 0.20 . 1 . . . . 85 MET C . 7419 1 954 . 1 1 85 85 MET CA C 13 53.99 0.20 . 1 . . . . 85 MET CA . 7419 1 955 . 1 1 85 85 MET CB C 13 31.39 0.20 . 1 . . . . 85 MET CB . 7419 1 956 . 1 1 85 85 MET CE C 13 16.75 0.20 . 1 . . . . 85 MET CE . 7419 1 957 . 1 1 85 85 MET CG C 13 31.79 0.20 . 1 . . . . 85 MET CG . 7419 1 958 . 1 1 85 85 MET N N 15 119.36 0.20 . 1 . . . . 85 MET N . 7419 1 959 . 1 1 86 86 ILE H H 1 9.12 0.02 . 1 . . . . 86 ILE H . 7419 1 960 . 1 1 86 86 ILE HA H 1 4.17 0.02 . 1 . . . . 86 ILE HA . 7419 1 961 . 1 1 86 86 ILE HB H 1 2.13 0.02 . 1 . . . . 86 ILE HB . 7419 1 962 . 1 1 86 86 ILE HD11 H 1 0.76 0.02 . 1 . . . . 86 ILE HD1 . 7419 1 963 . 1 1 86 86 ILE HD12 H 1 0.76 0.02 . 1 . . . . 86 ILE HD1 . 7419 1 964 . 1 1 86 86 ILE HD13 H 1 0.76 0.02 . 1 . . . . 86 ILE HD1 . 7419 1 965 . 1 1 86 86 ILE HG12 H 1 1.92 0.02 . 2 . . . . 86 ILE HG12 . 7419 1 966 . 1 1 86 86 ILE HG13 H 1 1.20 0.02 . 2 . . . . 86 ILE HG13 . 7419 1 967 . 1 1 86 86 ILE HG21 H 1 0.91 0.02 . 1 . . . . 86 ILE HG2 . 7419 1 968 . 1 1 86 86 ILE HG22 H 1 0.91 0.02 . 1 . . . . 86 ILE HG2 . 7419 1 969 . 1 1 86 86 ILE HG23 H 1 0.91 0.02 . 1 . . . . 86 ILE HG2 . 7419 1 970 . 1 1 86 86 ILE C C 13 175.24 0.20 . 1 . . . . 86 ILE C . 7419 1 971 . 1 1 86 86 ILE CA C 13 59.08 0.20 . 1 . . . . 86 ILE CA . 7419 1 972 . 1 1 86 86 ILE CB C 13 36.18 0.20 . 1 . . . . 86 ILE CB . 7419 1 973 . 1 1 86 86 ILE CD1 C 13 10.39 0.20 . 1 . . . . 86 ILE CD1 . 7419 1 974 . 1 1 86 86 ILE CG1 C 13 27.04 0.20 . 1 . . . . 86 ILE CG1 . 7419 1 975 . 1 1 86 86 ILE CG2 C 13 18.63 0.20 . 1 . . . . 86 ILE CG2 . 7419 1 976 . 1 1 86 86 ILE N N 15 127.61 0.20 . 1 . . . . 86 ILE N . 7419 1 977 . 1 1 87 87 GLU H H 1 8.40 0.02 . 1 . . . . 87 GLU H . 7419 1 978 . 1 1 87 87 GLU HA H 1 4.41 0.02 . 1 . . . . 87 GLU HA . 7419 1 979 . 1 1 87 87 GLU HB2 H 1 2.44 0.02 . 2 . . . . 87 GLU HB2 . 7419 1 980 . 1 1 87 87 GLU HB3 H 1 1.94 0.02 . 2 . . . . 87 GLU HB3 . 7419 1 981 . 1 1 87 87 GLU HG2 H 1 2.48 0.02 . 1 . . . . 87 GLU HG2 . 7419 1 982 . 1 1 87 87 GLU HG3 H 1 2.48 0.02 . 1 . . . . 87 GLU HG3 . 7419 1 983 . 1 1 87 87 GLU C C 13 177.55 0.20 . 1 . . . . 87 GLU C . 7419 1 984 . 1 1 87 87 GLU CA C 13 54.97 0.20 . 1 . . . . 87 GLU CA . 7419 1 985 . 1 1 87 87 GLU CB C 13 31.14 0.20 . 1 . . . . 87 GLU CB . 7419 1 986 . 1 1 87 87 GLU CG C 13 35.80 0.20 . 1 . . . . 87 GLU CG . 7419 1 987 . 1 1 87 87 GLU N N 15 124.92 0.20 . 1 . . . . 87 GLU N . 7419 1 988 . 1 1 88 88 ARG H H 1 9.54 0.02 . 1 . . . . 88 ARG H . 7419 1 989 . 1 1 88 88 ARG HA H 1 3.59 0.02 . 1 . . . . 88 ARG HA . 7419 1 990 . 1 1 88 88 ARG HB2 H 1 1.87 0.02 . 2 . . . . 88 ARG HB2 . 7419 1 991 . 1 1 88 88 ARG HB3 H 1 1.45 0.02 . 2 . . . . 88 ARG HB3 . 7419 1 992 . 1 1 88 88 ARG HD2 H 1 3.11 0.02 . 2 . . . . 88 ARG HD2 . 7419 1 993 . 1 1 88 88 ARG HD3 H 1 2.97 0.02 . 2 . . . . 88 ARG HD3 . 7419 1 994 . 1 1 88 88 ARG HE H 1 7.31 0.02 . 1 . . . . 88 ARG HE . 7419 1 995 . 1 1 88 88 ARG HG2 H 1 1.33 0.02 . 1 . . . . 88 ARG HG2 . 7419 1 996 . 1 1 88 88 ARG HG3 H 1 1.33 0.02 . 1 . . . . 88 ARG HG3 . 7419 1 997 . 1 1 88 88 ARG C C 13 177.34 0.20 . 1 . . . . 88 ARG C . 7419 1 998 . 1 1 88 88 ARG CA C 13 60.67 0.20 . 1 . . . . 88 ARG CA . 7419 1 999 . 1 1 88 88 ARG CB C 13 29.27 0.20 . 1 . . . . 88 ARG CB . 7419 1 1000 . 1 1 88 88 ARG CD C 13 43.42 0.20 . 1 . . . . 88 ARG CD . 7419 1 1001 . 1 1 88 88 ARG CG C 13 27.10 0.20 . 1 . . . . 88 ARG CG . 7419 1 1002 . 1 1 88 88 ARG N N 15 122.72 0.20 . 1 . . . . 88 ARG N . 7419 1 1003 . 1 1 88 88 ARG NE N 15 109.68 0.20 . 1 . . . . 88 ARG NE . 7419 1 1004 . 1 1 89 89 SER H H 1 8.931 0.02 . 1 . . . . 89 SER H . 7419 1 1005 . 1 1 89 89 SER HA H 1 4.043 0.02 . 1 . . . . 89 SER HA . 7419 1 1006 . 1 1 89 89 SER HB2 H 1 3.907 0.02 . 2 . . . . 89 SER HB2 . 7419 1 1007 . 1 1 89 89 SER HB3 H 1 3.874 0.02 . 2 . . . . 89 SER HB3 . 7419 1 1008 . 1 1 89 89 SER C C 13 176.81 0.20 . 1 . . . . 89 SER C . 7419 1 1009 . 1 1 89 89 SER CA C 13 61.57 0.20 . 1 . . . . 89 SER CA . 7419 1 1010 . 1 1 89 89 SER CB C 13 61.51 0.20 . 1 . . . . 89 SER CB . 7419 1 1011 . 1 1 89 89 SER N N 15 113.15 0.20 . 1 . . . . 89 SER N . 7419 1 1012 . 1 1 90 90 VAL H H 1 6.81 0.02 . 1 . . . . 90 VAL H . 7419 1 1013 . 1 1 90 90 VAL HA H 1 3.97 0.02 . 1 . . . . 90 VAL HA . 7419 1 1014 . 1 1 90 90 VAL HB H 1 2.29 0.02 . 1 . . . . 90 VAL HB . 7419 1 1015 . 1 1 90 90 VAL HG11 H 1 1.15 0.02 . 2 . . . . 90 VAL HG1 . 7419 1 1016 . 1 1 90 90 VAL HG12 H 1 1.15 0.02 . 2 . . . . 90 VAL HG1 . 7419 1 1017 . 1 1 90 90 VAL HG13 H 1 1.15 0.02 . 2 . . . . 90 VAL HG1 . 7419 1 1018 . 1 1 90 90 VAL HG21 H 1 1.08 0.02 . 2 . . . . 90 VAL HG2 . 7419 1 1019 . 1 1 90 90 VAL HG22 H 1 1.08 0.02 . 2 . . . . 90 VAL HG2 . 7419 1 1020 . 1 1 90 90 VAL HG23 H 1 1.08 0.02 . 2 . . . . 90 VAL HG2 . 7419 1 1021 . 1 1 90 90 VAL C C 13 178.47 0.20 . 1 . . . . 90 VAL C . 7419 1 1022 . 1 1 90 90 VAL CA C 13 65.28 0.20 . 1 . . . . 90 VAL CA . 7419 1 1023 . 1 1 90 90 VAL CB C 13 32.28 0.20 . 1 . . . . 90 VAL CB . 7419 1 1024 . 1 1 90 90 VAL CG1 C 13 22.65 0.20 . 2 . . . . 90 VAL CG1 . 7419 1 1025 . 1 1 90 90 VAL CG2 C 13 22.29 0.20 . 2 . . . . 90 VAL CG2 . 7419 1 1026 . 1 1 90 90 VAL N N 15 123.32 0.20 . 1 . . . . 90 VAL N . 7419 1 1027 . 1 1 91 91 VAL H H 1 7.34 0.02 . 1 . . . . 91 VAL H . 7419 1 1028 . 1 1 91 91 VAL HA H 1 3.81 0.02 . 1 . . . . 91 VAL HA . 7419 1 1029 . 1 1 91 91 VAL HB H 1 2.12 0.02 . 1 . . . . 91 VAL HB . 7419 1 1030 . 1 1 91 91 VAL HG11 H 1 1.11 0.02 . 2 . . . . 91 VAL HG1 . 7419 1 1031 . 1 1 91 91 VAL HG12 H 1 1.11 0.02 . 2 . . . . 91 VAL HG1 . 7419 1 1032 . 1 1 91 91 VAL HG13 H 1 1.11 0.02 . 2 . . . . 91 VAL HG1 . 7419 1 1033 . 1 1 91 91 VAL HG21 H 1 1.04 0.02 . 2 . . . . 91 VAL HG2 . 7419 1 1034 . 1 1 91 91 VAL HG22 H 1 1.04 0.02 . 2 . . . . 91 VAL HG2 . 7419 1 1035 . 1 1 91 91 VAL HG23 H 1 1.04 0.02 . 2 . . . . 91 VAL HG2 . 7419 1 1036 . 1 1 91 91 VAL C C 13 176.90 0.20 . 1 . . . . 91 VAL C . 7419 1 1037 . 1 1 91 91 VAL CA C 13 66.02 0.20 . 1 . . . . 91 VAL CA . 7419 1 1038 . 1 1 91 91 VAL CB C 13 31.59 0.20 . 1 . . . . 91 VAL CB . 7419 1 1039 . 1 1 91 91 VAL CG1 C 13 23.28 0.20 . 2 . . . . 91 VAL CG1 . 7419 1 1040 . 1 1 91 91 VAL CG2 C 13 24.06 0.20 . 2 . . . . 91 VAL CG2 . 7419 1 1041 . 1 1 91 91 VAL N N 15 118.18 0.20 . 1 . . . . 91 VAL N . 7419 1 1042 . 1 1 92 92 GLU H H 1 8.71 0.02 . 1 . . . . 92 GLU H . 7419 1 1043 . 1 1 92 92 GLU HA H 1 3.94 0.02 . 1 . . . . 92 GLU HA . 7419 1 1044 . 1 1 92 92 GLU HB2 H 1 1.76 0.02 . 2 . . . . 92 GLU HB2 . 7419 1 1045 . 1 1 92 92 GLU HB3 H 1 1.45 0.02 . 2 . . . . 92 GLU HB3 . 7419 1 1046 . 1 1 92 92 GLU HG2 H 1 1.89 0.02 . 2 . . . . 92 GLU HG2 . 7419 1 1047 . 1 1 92 92 GLU HG3 H 1 1.54 0.02 . 2 . . . . 92 GLU HG3 . 7419 1 1048 . 1 1 92 92 GLU C C 13 178.86 0.20 . 1 . . . . 92 GLU C . 7419 1 1049 . 1 1 92 92 GLU CA C 13 59.68 0.20 . 1 . . . . 92 GLU CA . 7419 1 1050 . 1 1 92 92 GLU CB C 13 29.44 0.20 . 1 . . . . 92 GLU CB . 7419 1 1051 . 1 1 92 92 GLU CG C 13 35.45 0.20 . 1 . . . . 92 GLU CG . 7419 1 1052 . 1 1 92 92 GLU N N 15 122.16 0.20 . 1 . . . . 92 GLU N . 7419 1 1053 . 1 1 93 93 ALA H H 1 7.39 0.02 . 1 . . . . 93 ALA H . 7419 1 1054 . 1 1 93 93 ALA HA H 1 4.15 0.02 . 1 . . . . 93 ALA HA . 7419 1 1055 . 1 1 93 93 ALA HB1 H 1 1.50 0.02 . 1 . . . . 93 ALA HB . 7419 1 1056 . 1 1 93 93 ALA HB2 H 1 1.50 0.02 . 1 . . . . 93 ALA HB . 7419 1 1057 . 1 1 93 93 ALA HB3 H 1 1.50 0.02 . 1 . . . . 93 ALA HB . 7419 1 1058 . 1 1 93 93 ALA C C 13 179.93 0.20 . 1 . . . . 93 ALA C . 7419 1 1059 . 1 1 93 93 ALA CA C 13 55.03 0.20 . 1 . . . . 93 ALA CA . 7419 1 1060 . 1 1 93 93 ALA CB C 13 17.87 0.20 . 1 . . . . 93 ALA CB . 7419 1 1061 . 1 1 93 93 ALA N N 15 120.61 0.20 . 1 . . . . 93 ALA N . 7419 1 1062 . 1 1 94 94 ALA H H 1 7.76 0.02 . 1 . . . . 94 ALA H . 7419 1 1063 . 1 1 94 94 ALA HA H 1 4.13 0.02 . 1 . . . . 94 ALA HA . 7419 1 1064 . 1 1 94 94 ALA HB1 H 1 1.67 0.02 . 1 . . . . 94 ALA HB . 7419 1 1065 . 1 1 94 94 ALA HB2 H 1 1.67 0.02 . 1 . . . . 94 ALA HB . 7419 1 1066 . 1 1 94 94 ALA HB3 H 1 1.67 0.02 . 1 . . . . 94 ALA HB . 7419 1 1067 . 1 1 94 94 ALA C C 13 180.24 0.20 . 1 . . . . 94 ALA C . 7419 1 1068 . 1 1 94 94 ALA CA C 13 54.90 0.20 . 1 . . . . 94 ALA CA . 7419 1 1069 . 1 1 94 94 ALA CB C 13 20.86 0.20 . 1 . . . . 94 ALA CB . 7419 1 1070 . 1 1 94 94 ALA N N 15 120.36 0.20 . 1 . . . . 94 ALA N . 7419 1 1071 . 1 1 95 95 VAL H H 1 8.79 0.02 . 1 . . . . 95 VAL H . 7419 1 1072 . 1 1 95 95 VAL HA H 1 3.55 0.02 . 1 . . . . 95 VAL HA . 7419 1 1073 . 1 1 95 95 VAL HB H 1 2.53 0.02 . 1 . . . . 95 VAL HB . 7419 1 1074 . 1 1 95 95 VAL HG11 H 1 1.13 0.02 . 2 . . . . 95 VAL HG1 . 7419 1 1075 . 1 1 95 95 VAL HG12 H 1 1.13 0.02 . 2 . . . . 95 VAL HG1 . 7419 1 1076 . 1 1 95 95 VAL HG13 H 1 1.13 0.02 . 2 . . . . 95 VAL HG1 . 7419 1 1077 . 1 1 95 95 VAL HG21 H 1 0.94 0.02 . 2 . . . . 95 VAL HG2 . 7419 1 1078 . 1 1 95 95 VAL HG22 H 1 0.94 0.02 . 2 . . . . 95 VAL HG2 . 7419 1 1079 . 1 1 95 95 VAL HG23 H 1 0.94 0.02 . 2 . . . . 95 VAL HG2 . 7419 1 1080 . 1 1 95 95 VAL C C 13 179.22 0.20 . 1 . . . . 95 VAL C . 7419 1 1081 . 1 1 95 95 VAL CA C 13 66.74 0.20 . 1 . . . . 95 VAL CA . 7419 1 1082 . 1 1 95 95 VAL CB C 13 31.63 0.20 . 1 . . . . 95 VAL CB . 7419 1 1083 . 1 1 95 95 VAL CG1 C 13 24.00 0.20 . 2 . . . . 95 VAL CG1 . 7419 1 1084 . 1 1 95 95 VAL CG2 C 13 21.25 0.20 . 2 . . . . 95 VAL CG2 . 7419 1 1085 . 1 1 95 95 VAL N N 15 119.95 0.20 . 1 . . . . 95 VAL N . 7419 1 1086 . 1 1 96 96 GLN H H 1 8.03 0.02 . 1 . . . . 96 GLN H . 7419 1 1087 . 1 1 96 96 GLN HA H 1 4.12 0.02 . 1 . . . . 96 GLN HA . 7419 1 1088 . 1 1 96 96 GLN HB2 H 1 2.23 0.02 . 1 . . . . 96 GLN HB2 . 7419 1 1089 . 1 1 96 96 GLN HB3 H 1 2.23 0.02 . 1 . . . . 96 GLN HB3 . 7419 1 1090 . 1 1 96 96 GLN HG2 H 1 2.57 0.02 . 2 . . . . 96 GLN HG2 . 7419 1 1091 . 1 1 96 96 GLN HG3 H 1 2.52 0.02 . 2 . . . . 96 GLN HG3 . 7419 1 1092 . 1 1 96 96 GLN C C 13 178.33 0.20 . 1 . . . . 96 GLN C . 7419 1 1093 . 1 1 96 96 GLN CA C 13 58.71 0.20 . 1 . . . . 96 GLN CA . 7419 1 1094 . 1 1 96 96 GLN CB C 13 28.23 0.20 . 1 . . . . 96 GLN CB . 7419 1 1095 . 1 1 96 96 GLN CG C 13 33.81 0.20 . 1 . . . . 96 GLN CG . 7419 1 1096 . 1 1 96 96 GLN N N 15 119.68 0.20 . 1 . . . . 96 GLN N . 7419 1 1097 . 1 1 97 97 GLU H H 1 8.01 0.02 . 1 . . . . 97 GLU H . 7419 1 1098 . 1 1 97 97 GLU HA H 1 4.29 0.02 . 1 . . . . 97 GLU HA . 7419 1 1099 . 1 1 97 97 GLU HB2 H 1 2.14 0.02 . 1 . . . . 97 GLU HB2 . 7419 1 1100 . 1 1 97 97 GLU HB3 H 1 2.14 0.02 . 1 . . . . 97 GLU HB3 . 7419 1 1101 . 1 1 97 97 GLU HG2 H 1 2.40 0.02 . 2 . . . . 97 GLU HG2 . 7419 1 1102 . 1 1 97 97 GLU HG3 H 1 2.35 0.02 . 2 . . . . 97 GLU HG3 . 7419 1 1103 . 1 1 97 97 GLU C C 13 177.21 0.20 . 1 . . . . 97 GLU C . 7419 1 1104 . 1 1 97 97 GLU CA C 13 57.86 0.20 . 1 . . . . 97 GLU CA . 7419 1 1105 . 1 1 97 97 GLU CB C 13 30.03 0.20 . 1 . . . . 97 GLU CB . 7419 1 1106 . 1 1 97 97 GLU CG C 13 36.29 0.20 . 1 . . . . 97 GLU CG . 7419 1 1107 . 1 1 97 97 GLU N N 15 117.94 0.20 . 1 . . . . 97 GLU N . 7419 1 1108 . 1 1 98 98 SER H H 1 7.64 0.02 . 1 . . . . 98 SER H . 7419 1 1109 . 1 1 98 98 SER HA H 1 4.56 0.02 . 1 . . . . 98 SER HA . 7419 1 1110 . 1 1 98 98 SER HB2 H 1 3.94 0.02 . 2 . . . . 98 SER HB2 . 7419 1 1111 . 1 1 98 98 SER HB3 H 1 3.87 0.02 . 2 . . . . 98 SER HB3 . 7419 1 1112 . 1 1 98 98 SER C C 13 173.60 0.20 . 1 . . . . 98 SER C . 7419 1 1113 . 1 1 98 98 SER CA C 13 58.70 0.20 . 1 . . . . 98 SER CA . 7419 1 1114 . 1 1 98 98 SER CB C 13 64.15 0.20 . 1 . . . . 98 SER CB . 7419 1 1115 . 1 1 98 98 SER N N 15 113.60 0.20 . 1 . . . . 98 SER N . 7419 1 1116 . 1 1 99 99 SER H H 1 7.53 0.02 . 1 . . . . 99 SER H . 7419 1 1117 . 1 1 99 99 SER HA H 1 4.27 0.02 . 1 . . . . 99 SER HA . 7419 1 1118 . 1 1 99 99 SER HB2 H 1 3.93 0.02 . 1 . . . . 99 SER HB2 . 7419 1 1119 . 1 1 99 99 SER HB3 H 1 3.93 0.02 . 1 . . . . 99 SER HB3 . 7419 1 1120 . 1 1 99 99 SER CA C 13 60.67 0.20 . 1 . . . . 99 SER CA . 7419 1 1121 . 1 1 99 99 SER CB C 13 64.81 0.20 . 1 . . . . 99 SER CB . 7419 1 1122 . 1 1 99 99 SER N N 15 123.10 0.20 . 1 . . . . 99 SER N . 7419 1 stop_ save_