data_11200 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11200 _Entry.Title ; Solution structure of the PDZ domain of Pals1 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 X. Qin . . . 11200 2 F. Hayashi . . . 11200 3 S. Yokoyama . . . 11200 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11200 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11200 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 478 11200 '15N chemical shifts' 114 11200 '1H chemical shifts' 766 11200 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-07-21 2010-07-22 original author . 11200 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1VA8 'BMRB Entry Tracking System' 11200 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11200 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the PDZ domain of Pals1 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 X. Qin . . . 11200 1 2 F. Hayashi . . . 11200 1 3 S. Yokoyama . . . 11200 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11200 _Assembly.ID 1 _Assembly.Name 'MAGUK p55 subfamily member 5' _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 'MAGUK p55 subfamily member 5' 1 $entity_1 A . yes native no no . . . 11200 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1va8 . . . . . . 11200 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11200 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPITDERVYESIGH YGGETVKIVRIEKARDIPLG ATVRNEMDSVIISRIVKGGA AEKSGLLHEGDEVLEINGIE IRGKDVNEVFDLLSDMHGTL TFVLIPSSGPSSG ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1VA8 . "Solution Structure Of The Pdz Domain Of Pals1 Protein" . . . . . 100.00 113 100.00 100.00 4.22e-71 . . . . 11200 1 2 no PDB 4UU5 . "Crystal Structure Of The Pdz Domain Of Pals1 In Complex With The Crb Peptide" . . . . . 75.22 90 100.00 100.00 5.48e-50 . . . . 11200 1 3 no PDB 4UU6 . "Crystal Structure Of The Pdz Domain Of Pals1" . . . . . 75.22 90 100.00 100.00 5.48e-50 . . . . 11200 1 4 no DBJ BAB14172 . "unnamed protein product [Homo sapiens]" . . . . . 88.50 503 99.00 99.00 8.70e-59 . . . . 11200 1 5 no DBJ BAC05295 . "unnamed protein product [Homo sapiens]" . . . . . 88.50 441 98.00 99.00 2.24e-57 . . . . 11200 1 6 no DBJ BAF83929 . "unnamed protein product [Homo sapiens]" . . . . . 88.50 675 99.00 99.00 1.63e-57 . . . . 11200 1 7 no DBJ BAG11109 . "MAGUK p55 subfamily member 5 [synthetic construct]" . . . . . 88.50 675 99.00 99.00 1.63e-57 . . . . 11200 1 8 no EMBL CAD38620 . "hypothetical protein [Homo sapiens]" . . . . . 88.50 675 99.00 99.00 1.63e-57 . . . . 11200 1 9 no EMBL CAD89937 . "hypothetical protein [Homo sapiens]" . . . . . 88.50 641 99.00 99.00 5.03e-58 . . . . 11200 1 10 no EMBL CAH90105 . "hypothetical protein [Pongo abelii]" . . . . . 88.50 675 98.00 99.00 4.23e-57 . . . . 11200 1 11 no EMBL CAL37477 . "hypothetical protein [synthetic construct]" . . . . . 88.50 675 99.00 99.00 1.63e-57 . . . . 11200 1 12 no EMBL CAL37737 . "hypothetical protein [synthetic construct]" . . . . . 88.50 641 99.00 99.00 5.03e-58 . . . . 11200 1 13 no GB AAF63789 . "PALS1 [Mus musculus]" . . . . . 88.50 675 100.00 100.00 1.42e-58 . . . . 11200 1 14 no GB AAH53366 . "MPP5 protein, partial [Homo sapiens]" . . . . . 88.50 446 99.00 99.00 5.58e-58 . . . . 11200 1 15 no GB AAH95485 . "Membrane protein, palmitoylated 5 (MAGUK p55 subfamily member 5) [Homo sapiens]" . . . . . 88.50 675 99.00 99.00 1.63e-57 . . . . 11200 1 16 no GB AAI29934 . "Membrane protein, palmitoylated 5 (MAGUK p55 subfamily member 5) [Homo sapiens]" . . . . . 88.50 675 99.00 99.00 1.63e-57 . . . . 11200 1 17 no GB AAI38625 . "Membrane protein, palmitoylated 5 (MAGUK p55 subfamily member 5) [Mus musculus]" . . . . . 88.50 675 100.00 100.00 1.42e-58 . . . . 11200 1 18 no REF NP_001101504 . "MAGUK p55 subfamily member 5 [Rattus norvegicus]" . . . . . 88.50 675 100.00 100.00 1.42e-58 . . . . 11200 1 19 no REF NP_001125010 . "MAGUK p55 subfamily member 5 [Pongo abelii]" . . . . . 88.50 675 98.00 99.00 4.23e-57 . . . . 11200 1 20 no REF NP_001192880 . "MAGUK p55 subfamily member 5 [Bos taurus]" . . . . . 88.50 675 98.00 99.00 2.30e-57 . . . . 11200 1 21 no REF NP_001243479 . "MAGUK p55 subfamily member 5 isoform 2 [Homo sapiens]" . . . . . 88.50 641 99.00 99.00 5.35e-58 . . . . 11200 1 22 no REF NP_062525 . "MAGUK p55 subfamily member 5 [Mus musculus]" . . . . . 88.50 675 100.00 100.00 1.42e-58 . . . . 11200 1 23 no SP Q5RDQ2 . "RecName: Full=MAGUK p55 subfamily member 5" . . . . . 88.50 675 98.00 99.00 4.23e-57 . . . . 11200 1 24 no SP Q8N3R9 . "RecName: Full=MAGUK p55 subfamily member 5" . . . . . 88.50 675 99.00 99.00 1.63e-57 . . . . 11200 1 25 no SP Q9JLB2 . "RecName: Full=MAGUK p55 subfamily member 5; AltName: Full=Protein associated with Lin-7 1" . . . . . 88.50 675 100.00 100.00 1.42e-58 . . . . 11200 1 26 no TPG DAA25125 . "TPA: membrane protein, palmitoylated 3 (MAGUK p55 subfamily member 5)-like [Bos taurus]" . . . . . 88.50 675 98.00 99.00 2.30e-57 . . . . 11200 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11200 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 . GLY . 11200 1 2 . SER . 11200 1 3 . SER . 11200 1 4 . GLY . 11200 1 5 . SER . 11200 1 6 . SER . 11200 1 7 . GLY . 11200 1 8 . PRO . 11200 1 9 . ILE . 11200 1 10 . THR . 11200 1 11 . ASP . 11200 1 12 . GLU . 11200 1 13 . ARG . 11200 1 14 . VAL . 11200 1 15 . TYR . 11200 1 16 . GLU . 11200 1 17 . SER . 11200 1 18 . ILE . 11200 1 19 . GLY . 11200 1 20 . HIS . 11200 1 21 . TYR . 11200 1 22 . GLY . 11200 1 23 . GLY . 11200 1 24 . GLU . 11200 1 25 . THR . 11200 1 26 . VAL . 11200 1 27 . LYS . 11200 1 28 . ILE . 11200 1 29 . VAL . 11200 1 30 . ARG . 11200 1 31 . ILE . 11200 1 32 . GLU . 11200 1 33 . LYS . 11200 1 34 . ALA . 11200 1 35 . ARG . 11200 1 36 . ASP . 11200 1 37 . ILE . 11200 1 38 . PRO . 11200 1 39 . LEU . 11200 1 40 . GLY . 11200 1 41 . ALA . 11200 1 42 . THR . 11200 1 43 . VAL . 11200 1 44 . ARG . 11200 1 45 . ASN . 11200 1 46 . GLU . 11200 1 47 . MET . 11200 1 48 . ASP . 11200 1 49 . SER . 11200 1 50 . VAL . 11200 1 51 . ILE . 11200 1 52 . ILE . 11200 1 53 . SER . 11200 1 54 . ARG . 11200 1 55 . ILE . 11200 1 56 . VAL . 11200 1 57 . LYS . 11200 1 58 . GLY . 11200 1 59 . GLY . 11200 1 60 . ALA . 11200 1 61 . ALA . 11200 1 62 . GLU . 11200 1 63 . LYS . 11200 1 64 . SER . 11200 1 65 . GLY . 11200 1 66 . LEU . 11200 1 67 . LEU . 11200 1 68 . HIS . 11200 1 69 . GLU . 11200 1 70 . GLY . 11200 1 71 . ASP . 11200 1 72 . GLU . 11200 1 73 . VAL . 11200 1 74 . LEU . 11200 1 75 . GLU . 11200 1 76 . ILE . 11200 1 77 . ASN . 11200 1 78 . GLY . 11200 1 79 . ILE . 11200 1 80 . GLU . 11200 1 81 . ILE . 11200 1 82 . ARG . 11200 1 83 . GLY . 11200 1 84 . LYS . 11200 1 85 . ASP . 11200 1 86 . VAL . 11200 1 87 . ASN . 11200 1 88 . GLU . 11200 1 89 . VAL . 11200 1 90 . PHE . 11200 1 91 . ASP . 11200 1 92 . LEU . 11200 1 93 . LEU . 11200 1 94 . SER . 11200 1 95 . ASP . 11200 1 96 . MET . 11200 1 97 . HIS . 11200 1 98 . GLY . 11200 1 99 . THR . 11200 1 100 . LEU . 11200 1 101 . THR . 11200 1 102 . PHE . 11200 1 103 . VAL . 11200 1 104 . LEU . 11200 1 105 . ILE . 11200 1 106 . PRO . 11200 1 107 . SER . 11200 1 108 . SER . 11200 1 109 . GLY . 11200 1 110 . PRO . 11200 1 111 . SER . 11200 1 112 . SER . 11200 1 113 . GLY . 11200 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 . GLY 1 1 11200 1 . SER 2 2 11200 1 . SER 3 3 11200 1 . GLY 4 4 11200 1 . SER 5 5 11200 1 . SER 6 6 11200 1 . GLY 7 7 11200 1 . PRO 8 8 11200 1 . ILE 9 9 11200 1 . THR 10 10 11200 1 . ASP 11 11 11200 1 . GLU 12 12 11200 1 . ARG 13 13 11200 1 . VAL 14 14 11200 1 . TYR 15 15 11200 1 . GLU 16 16 11200 1 . SER 17 17 11200 1 . ILE 18 18 11200 1 . GLY 19 19 11200 1 . HIS 20 20 11200 1 . TYR 21 21 11200 1 . GLY 22 22 11200 1 . GLY 23 23 11200 1 . GLU 24 24 11200 1 . THR 25 25 11200 1 . VAL 26 26 11200 1 . LYS 27 27 11200 1 . ILE 28 28 11200 1 . VAL 29 29 11200 1 . ARG 30 30 11200 1 . ILE 31 31 11200 1 . GLU 32 32 11200 1 . LYS 33 33 11200 1 . ALA 34 34 11200 1 . ARG 35 35 11200 1 . ASP 36 36 11200 1 . ILE 37 37 11200 1 . PRO 38 38 11200 1 . LEU 39 39 11200 1 . GLY 40 40 11200 1 . ALA 41 41 11200 1 . THR 42 42 11200 1 . VAL 43 43 11200 1 . ARG 44 44 11200 1 . ASN 45 45 11200 1 . GLU 46 46 11200 1 . MET 47 47 11200 1 . ASP 48 48 11200 1 . SER 49 49 11200 1 . VAL 50 50 11200 1 . ILE 51 51 11200 1 . ILE 52 52 11200 1 . SER 53 53 11200 1 . ARG 54 54 11200 1 . ILE 55 55 11200 1 . VAL 56 56 11200 1 . LYS 57 57 11200 1 . GLY 58 58 11200 1 . GLY 59 59 11200 1 . ALA 60 60 11200 1 . ALA 61 61 11200 1 . GLU 62 62 11200 1 . LYS 63 63 11200 1 . SER 64 64 11200 1 . GLY 65 65 11200 1 . LEU 66 66 11200 1 . LEU 67 67 11200 1 . HIS 68 68 11200 1 . GLU 69 69 11200 1 . GLY 70 70 11200 1 . ASP 71 71 11200 1 . GLU 72 72 11200 1 . VAL 73 73 11200 1 . LEU 74 74 11200 1 . GLU 75 75 11200 1 . ILE 76 76 11200 1 . ASN 77 77 11200 1 . GLY 78 78 11200 1 . ILE 79 79 11200 1 . GLU 80 80 11200 1 . ILE 81 81 11200 1 . ARG 82 82 11200 1 . GLY 83 83 11200 1 . LYS 84 84 11200 1 . ASP 85 85 11200 1 . VAL 86 86 11200 1 . ASN 87 87 11200 1 . GLU 88 88 11200 1 . VAL 89 89 11200 1 . PHE 90 90 11200 1 . ASP 91 91 11200 1 . LEU 92 92 11200 1 . LEU 93 93 11200 1 . SER 94 94 11200 1 . ASP 95 95 11200 1 . MET 96 96 11200 1 . HIS 97 97 11200 1 . GLY 98 98 11200 1 . THR 99 99 11200 1 . LEU 100 100 11200 1 . THR 101 101 11200 1 . PHE 102 102 11200 1 . VAL 103 103 11200 1 . LEU 104 104 11200 1 . ILE 105 105 11200 1 . PRO 106 106 11200 1 . SER 107 107 11200 1 . SER 108 108 11200 1 . GLY 109 109 11200 1 . PRO 110 110 11200 1 . SER 111 111 11200 1 . SER 112 112 11200 1 . GLY 113 113 11200 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 11200 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11200 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 11200 _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 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P030203-38 . . . . . . 11200 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11200 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.05mM 13C, 15N-labeled {protein;} 20mM {PiNa(pH6.0);} 100mM {NaCl;} {1mMd10-DTT;} 0.02% NaN3 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.05 . . mM . . . . 11200 1 2 PiNa 'natural abundance' . . . . . buffer 20 . . mM . . . . 11200 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11200 1 4 d10-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11200 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11200 1 6 H2O . . . . . . solvent 90 . . % . . . . 11200 1 7 D2O . . . . . . solvent 10 . . % . . . . 11200 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11200 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11200 1 pH 6.0 0.05 pH 11200 1 pressure 1 0.001 atm 11200 1 temperature 298 0.1 K 11200 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11200 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11200 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11200 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11200 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delaglio.F. . . 11200 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11200 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11200 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID JohnsonB.A. . . 11200 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11200 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11200 _Software.ID 4 _Software.Name Kujira _Software.Version 0.854 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID KobayashiN. . . 11200 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11200 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11200 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GuntertP. . . 11200 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11200 5 'structure solution' 11200 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11200 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11200 _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 INOVA . 800 . . . 11200 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 11200 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11200 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11200 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11200 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11200 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11200 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11200 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11200 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11200 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11200 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11200 1 2 $NMRPipe . . 11200 1 3 $NMRView . . 11200 1 4 $Kujira . . 11200 1 5 $CYANA . . 11200 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 2 2 SER HA H 1 4.580 0.030 . 1 . . . . 2 SER HA . 11200 1 2 . 1 1 2 2 SER HB2 H 1 3.901 0.030 . 1 . . . . 2 SER HB2 . 11200 1 3 . 1 1 2 2 SER HB3 H 1 3.901 0.030 . 1 . . . . 2 SER HB3 . 11200 1 4 . 1 1 2 2 SER C C 13 174.744 0.300 . 1 . . . . 2 SER C . 11200 1 5 . 1 1 2 2 SER CA C 13 58.416 0.300 . 1 . . . . 2 SER CA . 11200 1 6 . 1 1 2 2 SER CB C 13 64.085 0.300 . 1 . . . . 2 SER CB . 11200 1 7 . 1 1 3 3 SER H H 1 8.584 0.030 . 1 . . . . 3 SER H . 11200 1 8 . 1 1 3 3 SER HA H 1 4.487 0.030 . 1 . . . . 3 SER HA . 11200 1 9 . 1 1 3 3 SER HB2 H 1 3.918 0.030 . 1 . . . . 3 SER HB2 . 11200 1 10 . 1 1 3 3 SER HB3 H 1 3.918 0.030 . 1 . . . . 3 SER HB3 . 11200 1 11 . 1 1 3 3 SER C C 13 175.028 0.300 . 1 . . . . 3 SER C . 11200 1 12 . 1 1 3 3 SER CA C 13 58.627 0.300 . 1 . . . . 3 SER CA . 11200 1 13 . 1 1 3 3 SER CB C 13 63.847 0.300 . 1 . . . . 3 SER CB . 11200 1 14 . 1 1 3 3 SER N N 15 118.072 0.300 . 1 . . . . 3 SER N . 11200 1 15 . 1 1 4 4 GLY H H 1 8.469 0.030 . 1 . . . . 4 GLY H . 11200 1 16 . 1 1 4 4 GLY HA2 H 1 4.022 0.030 . 1 . . . . 4 GLY HA2 . 11200 1 17 . 1 1 4 4 GLY HA3 H 1 4.022 0.030 . 1 . . . . 4 GLY HA3 . 11200 1 18 . 1 1 4 4 GLY C C 13 174.291 0.300 . 1 . . . . 4 GLY C . 11200 1 19 . 1 1 4 4 GLY CA C 13 45.412 0.300 . 1 . . . . 4 GLY CA . 11200 1 20 . 1 1 4 4 GLY N N 15 110.934 0.300 . 1 . . . . 4 GLY N . 11200 1 21 . 1 1 5 5 SER H H 1 8.274 0.030 . 1 . . . . 5 SER H . 11200 1 22 . 1 1 5 5 SER HA H 1 4.482 0.030 . 1 . . . . 5 SER HA . 11200 1 23 . 1 1 5 5 SER HB2 H 1 3.909 0.030 . 1 . . . . 5 SER HB2 . 11200 1 24 . 1 1 5 5 SER HB3 H 1 3.909 0.030 . 1 . . . . 5 SER HB3 . 11200 1 25 . 1 1 5 5 SER C C 13 174.679 0.300 . 1 . . . . 5 SER C . 11200 1 26 . 1 1 5 5 SER CA C 13 58.350 0.300 . 1 . . . . 5 SER CA . 11200 1 27 . 1 1 5 5 SER CB C 13 63.956 0.300 . 1 . . . . 5 SER CB . 11200 1 28 . 1 1 5 5 SER N N 15 115.735 0.300 . 1 . . . . 5 SER N . 11200 1 29 . 1 1 6 6 SER H H 1 8.429 0.030 . 1 . . . . 6 SER H . 11200 1 30 . 1 1 6 6 SER HA H 1 4.531 0.030 . 1 . . . . 6 SER HA . 11200 1 31 . 1 1 6 6 SER HB2 H 1 3.901 0.030 . 1 . . . . 6 SER HB2 . 11200 1 32 . 1 1 6 6 SER HB3 H 1 3.901 0.030 . 1 . . . . 6 SER HB3 . 11200 1 33 . 1 1 6 6 SER C C 13 174.446 0.300 . 1 . . . . 6 SER C . 11200 1 34 . 1 1 6 6 SER CA C 13 58.410 0.300 . 1 . . . . 6 SER CA . 11200 1 35 . 1 1 6 6 SER CB C 13 63.969 0.300 . 1 . . . . 6 SER CB . 11200 1 36 . 1 1 6 6 SER N N 15 117.790 0.300 . 1 . . . . 6 SER N . 11200 1 37 . 1 1 7 7 GLY H H 1 8.210 0.030 . 1 . . . . 7 GLY H . 11200 1 38 . 1 1 7 7 GLY HA2 H 1 4.093 0.030 . 1 . . . . 7 GLY HA2 . 11200 1 39 . 1 1 7 7 GLY HA3 H 1 4.093 0.030 . 1 . . . . 7 GLY HA3 . 11200 1 40 . 1 1 7 7 GLY C C 13 171.554 0.300 . 1 . . . . 7 GLY C . 11200 1 41 . 1 1 7 7 GLY CA C 13 44.671 0.300 . 1 . . . . 7 GLY CA . 11200 1 42 . 1 1 7 7 GLY N N 15 110.687 0.300 . 1 . . . . 7 GLY N . 11200 1 43 . 1 1 8 8 PRO HA H 1 4.452 0.030 . 1 . . . . 8 PRO HA . 11200 1 44 . 1 1 8 8 PRO HB2 H 1 2.257 0.030 . 2 . . . . 8 PRO HB2 . 11200 1 45 . 1 1 8 8 PRO HB3 H 1 1.888 0.030 . 2 . . . . 8 PRO HB3 . 11200 1 46 . 1 1 8 8 PRO HD2 H 1 3.613 0.030 . 1 . . . . 8 PRO HD2 . 11200 1 47 . 1 1 8 8 PRO HD3 H 1 3.613 0.030 . 1 . . . . 8 PRO HD3 . 11200 1 48 . 1 1 8 8 PRO HG2 H 1 1.992 0.030 . 1 . . . . 8 PRO HG2 . 11200 1 49 . 1 1 8 8 PRO HG3 H 1 1.992 0.030 . 1 . . . . 8 PRO HG3 . 11200 1 50 . 1 1 8 8 PRO C C 13 177.073 0.300 . 1 . . . . 8 PRO C . 11200 1 51 . 1 1 8 8 PRO CA C 13 63.099 0.300 . 1 . . . . 8 PRO CA . 11200 1 52 . 1 1 8 8 PRO CB C 13 32.206 0.300 . 1 . . . . 8 PRO CB . 11200 1 53 . 1 1 8 8 PRO CD C 13 49.776 0.300 . 1 . . . . 8 PRO CD . 11200 1 54 . 1 1 8 8 PRO CG C 13 27.163 0.300 . 1 . . . . 8 PRO CG . 11200 1 55 . 1 1 9 9 ILE H H 1 8.353 0.030 . 1 . . . . 9 ILE H . 11200 1 56 . 1 1 9 9 ILE HA H 1 4.213 0.030 . 1 . . . . 9 ILE HA . 11200 1 57 . 1 1 9 9 ILE HB H 1 1.867 0.030 . 1 . . . . 9 ILE HB . 11200 1 58 . 1 1 9 9 ILE HD11 H 1 0.847 0.030 . 1 . . . . 9 ILE HD1 . 11200 1 59 . 1 1 9 9 ILE HD12 H 1 0.847 0.030 . 1 . . . . 9 ILE HD1 . 11200 1 60 . 1 1 9 9 ILE HD13 H 1 0.847 0.030 . 1 . . . . 9 ILE HD1 . 11200 1 61 . 1 1 9 9 ILE HG12 H 1 1.498 0.030 . 2 . . . . 9 ILE HG12 . 11200 1 62 . 1 1 9 9 ILE HG13 H 1 1.206 0.030 . 2 . . . . 9 ILE HG13 . 11200 1 63 . 1 1 9 9 ILE HG21 H 1 0.910 0.030 . 1 . . . . 9 ILE HG2 . 11200 1 64 . 1 1 9 9 ILE HG22 H 1 0.910 0.030 . 1 . . . . 9 ILE HG2 . 11200 1 65 . 1 1 9 9 ILE HG23 H 1 0.910 0.030 . 1 . . . . 9 ILE HG2 . 11200 1 66 . 1 1 9 9 ILE C C 13 176.536 0.300 . 1 . . . . 9 ILE C . 11200 1 67 . 1 1 9 9 ILE CA C 13 61.240 0.300 . 1 . . . . 9 ILE CA . 11200 1 68 . 1 1 9 9 ILE CB C 13 38.555 0.300 . 1 . . . . 9 ILE CB . 11200 1 69 . 1 1 9 9 ILE CD1 C 13 12.911 0.300 . 1 . . . . 9 ILE CD1 . 11200 1 70 . 1 1 9 9 ILE CG1 C 13 27.389 0.300 . 1 . . . . 9 ILE CG1 . 11200 1 71 . 1 1 9 9 ILE CG2 C 13 17.681 0.300 . 1 . . . . 9 ILE CG2 . 11200 1 72 . 1 1 9 9 ILE N N 15 121.419 0.300 . 1 . . . . 9 ILE N . 11200 1 73 . 1 1 10 10 THR H H 1 8.187 0.030 . 1 . . . . 10 THR H . 11200 1 74 . 1 1 10 10 THR HA H 1 4.373 0.030 . 1 . . . . 10 THR HA . 11200 1 75 . 1 1 10 10 THR HB H 1 4.235 0.030 . 1 . . . . 10 THR HB . 11200 1 76 . 1 1 10 10 THR HG21 H 1 1.164 0.030 . 1 . . . . 10 THR HG2 . 11200 1 77 . 1 1 10 10 THR HG22 H 1 1.164 0.030 . 1 . . . . 10 THR HG2 . 11200 1 78 . 1 1 10 10 THR HG23 H 1 1.164 0.030 . 1 . . . . 10 THR HG2 . 11200 1 79 . 1 1 10 10 THR C C 13 174.044 0.300 . 1 . . . . 10 THR C . 11200 1 80 . 1 1 10 10 THR CA C 13 61.529 0.300 . 1 . . . . 10 THR CA . 11200 1 81 . 1 1 10 10 THR CB C 13 69.948 0.300 . 1 . . . . 10 THR CB . 11200 1 82 . 1 1 10 10 THR CG2 C 13 21.569 0.300 . 1 . . . . 10 THR CG2 . 11200 1 83 . 1 1 10 10 THR N N 15 118.018 0.300 . 1 . . . . 10 THR N . 11200 1 84 . 1 1 11 11 ASP H H 1 8.277 0.030 . 1 . . . . 11 ASP H . 11200 1 85 . 1 1 11 11 ASP HA H 1 4.605 0.030 . 1 . . . . 11 ASP HA . 11200 1 86 . 1 1 11 11 ASP HB2 H 1 2.729 0.030 . 2 . . . . 11 ASP HB2 . 11200 1 87 . 1 1 11 11 ASP HB3 H 1 2.613 0.030 . 2 . . . . 11 ASP HB3 . 11200 1 88 . 1 1 11 11 ASP C C 13 176.129 0.300 . 1 . . . . 11 ASP C . 11200 1 89 . 1 1 11 11 ASP CA C 13 54.277 0.300 . 1 . . . . 11 ASP CA . 11200 1 90 . 1 1 11 11 ASP CB C 13 41.295 0.300 . 1 . . . . 11 ASP CB . 11200 1 91 . 1 1 11 11 ASP N N 15 122.865 0.300 . 1 . . . . 11 ASP N . 11200 1 92 . 1 1 12 12 GLU H H 1 8.475 0.030 . 1 . . . . 12 GLU H . 11200 1 93 . 1 1 12 12 GLU HA H 1 4.227 0.030 . 1 . . . . 12 GLU HA . 11200 1 94 . 1 1 12 12 GLU HB2 H 1 2.060 0.030 . 2 . . . . 12 GLU HB2 . 11200 1 95 . 1 1 12 12 GLU HB3 H 1 1.931 0.030 . 2 . . . . 12 GLU HB3 . 11200 1 96 . 1 1 12 12 GLU HG2 H 1 2.272 0.030 . 2 . . . . 12 GLU HG2 . 11200 1 97 . 1 1 12 12 GLU HG3 H 1 2.231 0.030 . 2 . . . . 12 GLU HG3 . 11200 1 98 . 1 1 12 12 GLU C C 13 176.581 0.300 . 1 . . . . 12 GLU C . 11200 1 99 . 1 1 12 12 GLU CA C 13 57.041 0.300 . 1 . . . . 12 GLU CA . 11200 1 100 . 1 1 12 12 GLU CB C 13 30.103 0.300 . 1 . . . . 12 GLU CB . 11200 1 101 . 1 1 12 12 GLU CG C 13 36.245 0.300 . 1 . . . . 12 GLU CG . 11200 1 102 . 1 1 12 12 GLU N N 15 121.871 0.300 . 1 . . . . 12 GLU N . 11200 1 103 . 1 1 13 13 ARG H H 1 8.315 0.030 . 1 . . . . 13 ARG H . 11200 1 104 . 1 1 13 13 ARG HA H 1 4.241 0.030 . 1 . . . . 13 ARG HA . 11200 1 105 . 1 1 13 13 ARG HB2 H 1 1.741 0.030 . 1 . . . . 13 ARG HB2 . 11200 1 106 . 1 1 13 13 ARG HB3 H 1 1.741 0.030 . 1 . . . . 13 ARG HB3 . 11200 1 107 . 1 1 13 13 ARG HD2 H 1 3.147 0.030 . 1 . . . . 13 ARG HD2 . 11200 1 108 . 1 1 13 13 ARG HD3 H 1 3.147 0.030 . 1 . . . . 13 ARG HD3 . 11200 1 109 . 1 1 13 13 ARG HE H 1 7.365 0.030 . 1 . . . . 13 ARG HE . 11200 1 110 . 1 1 13 13 ARG HG2 H 1 1.559 0.030 . 2 . . . . 13 ARG HG2 . 11200 1 111 . 1 1 13 13 ARG HG3 H 1 1.527 0.030 . 2 . . . . 13 ARG HG3 . 11200 1 112 . 1 1 13 13 ARG C C 13 176.355 0.300 . 1 . . . . 13 ARG C . 11200 1 113 . 1 1 13 13 ARG CA C 13 56.404 0.300 . 1 . . . . 13 ARG CA . 11200 1 114 . 1 1 13 13 ARG CB C 13 30.583 0.300 . 1 . . . . 13 ARG CB . 11200 1 115 . 1 1 13 13 ARG CD C 13 43.339 0.300 . 1 . . . . 13 ARG CD . 11200 1 116 . 1 1 13 13 ARG CG C 13 26.989 0.300 . 1 . . . . 13 ARG CG . 11200 1 117 . 1 1 13 13 ARG N N 15 121.517 0.300 . 1 . . . . 13 ARG N . 11200 1 118 . 1 1 13 13 ARG NE N 15 117.946 0.300 . 1 . . . . 13 ARG NE . 11200 1 119 . 1 1 14 14 VAL H H 1 7.981 0.030 . 1 . . . . 14 VAL H . 11200 1 120 . 1 1 14 14 VAL HA H 1 4.033 0.030 . 1 . . . . 14 VAL HA . 11200 1 121 . 1 1 14 14 VAL HB H 1 1.979 0.030 . 1 . . . . 14 VAL HB . 11200 1 122 . 1 1 14 14 VAL HG11 H 1 0.870 0.030 . 1 . . . . 14 VAL HG1 . 11200 1 123 . 1 1 14 14 VAL HG12 H 1 0.870 0.030 . 1 . . . . 14 VAL HG1 . 11200 1 124 . 1 1 14 14 VAL HG13 H 1 0.870 0.030 . 1 . . . . 14 VAL HG1 . 11200 1 125 . 1 1 14 14 VAL HG21 H 1 0.873 0.030 . 1 . . . . 14 VAL HG2 . 11200 1 126 . 1 1 14 14 VAL HG22 H 1 0.873 0.030 . 1 . . . . 14 VAL HG2 . 11200 1 127 . 1 1 14 14 VAL HG23 H 1 0.873 0.030 . 1 . . . . 14 VAL HG2 . 11200 1 128 . 1 1 14 14 VAL C C 13 176.031 0.300 . 1 . . . . 14 VAL C . 11200 1 129 . 1 1 14 14 VAL CA C 13 62.639 0.300 . 1 . . . . 14 VAL CA . 11200 1 130 . 1 1 14 14 VAL CB C 13 32.660 0.300 . 1 . . . . 14 VAL CB . 11200 1 131 . 1 1 14 14 VAL CG1 C 13 20.824 0.300 . 2 . . . . 14 VAL CG1 . 11200 1 132 . 1 1 14 14 VAL CG2 C 13 20.840 0.300 . 2 . . . . 14 VAL CG2 . 11200 1 133 . 1 1 14 14 VAL N N 15 120.598 0.300 . 1 . . . . 14 VAL N . 11200 1 134 . 1 1 15 15 TYR H H 1 8.245 0.030 . 1 . . . . 15 TYR H . 11200 1 135 . 1 1 15 15 TYR HA H 1 4.496 0.030 . 1 . . . . 15 TYR HA . 11200 1 136 . 1 1 15 15 TYR HB2 H 1 3.045 0.030 . 2 . . . . 15 TYR HB2 . 11200 1 137 . 1 1 15 15 TYR HB3 H 1 2.881 0.030 . 2 . . . . 15 TYR HB3 . 11200 1 138 . 1 1 15 15 TYR HD1 H 1 7.057 0.030 . 1 . . . . 15 TYR HD1 . 11200 1 139 . 1 1 15 15 TYR HD2 H 1 7.057 0.030 . 1 . . . . 15 TYR HD2 . 11200 1 140 . 1 1 15 15 TYR HE1 H 1 6.740 0.030 . 1 . . . . 15 TYR HE1 . 11200 1 141 . 1 1 15 15 TYR HE2 H 1 6.740 0.030 . 1 . . . . 15 TYR HE2 . 11200 1 142 . 1 1 15 15 TYR C C 13 175.604 0.300 . 1 . . . . 15 TYR C . 11200 1 143 . 1 1 15 15 TYR CA C 13 58.367 0.300 . 1 . . . . 15 TYR CA . 11200 1 144 . 1 1 15 15 TYR CB C 13 38.939 0.300 . 1 . . . . 15 TYR CB . 11200 1 145 . 1 1 15 15 TYR CD1 C 13 132.969 0.300 . 1 . . . . 15 TYR CD1 . 11200 1 146 . 1 1 15 15 TYR CD2 C 13 132.969 0.300 . 1 . . . . 15 TYR CD2 . 11200 1 147 . 1 1 15 15 TYR CE1 C 13 118.015 0.300 . 1 . . . . 15 TYR CE1 . 11200 1 148 . 1 1 15 15 TYR CE2 C 13 118.015 0.300 . 1 . . . . 15 TYR CE2 . 11200 1 149 . 1 1 15 15 TYR N N 15 123.366 0.300 . 1 . . . . 15 TYR N . 11200 1 150 . 1 1 16 16 GLU H H 1 8.148 0.030 . 1 . . . . 16 GLU H . 11200 1 151 . 1 1 16 16 GLU HA H 1 4.404 0.030 . 1 . . . . 16 GLU HA . 11200 1 152 . 1 1 16 16 GLU HB2 H 1 2.007 0.030 . 2 . . . . 16 GLU HB2 . 11200 1 153 . 1 1 16 16 GLU HB3 H 1 1.917 0.030 . 2 . . . . 16 GLU HB3 . 11200 1 154 . 1 1 16 16 GLU HG2 H 1 2.224 0.030 . 1 . . . . 16 GLU HG2 . 11200 1 155 . 1 1 16 16 GLU HG3 H 1 2.224 0.030 . 1 . . . . 16 GLU HG3 . 11200 1 156 . 1 1 16 16 GLU C C 13 176.031 0.300 . 1 . . . . 16 GLU C . 11200 1 157 . 1 1 16 16 GLU CA C 13 56.361 0.300 . 1 . . . . 16 GLU CA . 11200 1 158 . 1 1 16 16 GLU CB C 13 30.791 0.300 . 1 . . . . 16 GLU CB . 11200 1 159 . 1 1 16 16 GLU CG C 13 36.206 0.300 . 1 . . . . 16 GLU CG . 11200 1 160 . 1 1 16 16 GLU N N 15 121.997 0.300 . 1 . . . . 16 GLU N . 11200 1 161 . 1 1 17 17 SER H H 1 8.286 0.030 . 1 . . . . 17 SER H . 11200 1 162 . 1 1 17 17 SER HA H 1 4.475 0.030 . 1 . . . . 17 SER HA . 11200 1 163 . 1 1 17 17 SER HB2 H 1 3.921 0.030 . 2 . . . . 17 SER HB2 . 11200 1 164 . 1 1 17 17 SER HB3 H 1 3.834 0.030 . 2 . . . . 17 SER HB3 . 11200 1 165 . 1 1 17 17 SER C C 13 174.491 0.300 . 1 . . . . 17 SER C . 11200 1 166 . 1 1 17 17 SER CA C 13 58.357 0.300 . 1 . . . . 17 SER CA . 11200 1 167 . 1 1 17 17 SER CB C 13 64.010 0.300 . 1 . . . . 17 SER CB . 11200 1 168 . 1 1 17 17 SER N N 15 116.456 0.300 . 1 . . . . 17 SER N . 11200 1 169 . 1 1 18 18 ILE H H 1 8.384 0.030 . 1 . . . . 18 ILE H . 11200 1 170 . 1 1 18 18 ILE HA H 1 4.256 0.030 . 1 . . . . 18 ILE HA . 11200 1 171 . 1 1 18 18 ILE HB H 1 1.865 0.030 . 1 . . . . 18 ILE HB . 11200 1 172 . 1 1 18 18 ILE HD11 H 1 0.823 0.030 . 1 . . . . 18 ILE HD1 . 11200 1 173 . 1 1 18 18 ILE HD12 H 1 0.823 0.030 . 1 . . . . 18 ILE HD1 . 11200 1 174 . 1 1 18 18 ILE HD13 H 1 0.823 0.030 . 1 . . . . 18 ILE HD1 . 11200 1 175 . 1 1 18 18 ILE HG12 H 1 1.461 0.030 . 2 . . . . 18 ILE HG12 . 11200 1 176 . 1 1 18 18 ILE HG13 H 1 1.205 0.030 . 2 . . . . 18 ILE HG13 . 11200 1 177 . 1 1 18 18 ILE HG21 H 1 0.877 0.030 . 1 . . . . 18 ILE HG2 . 11200 1 178 . 1 1 18 18 ILE HG22 H 1 0.877 0.030 . 1 . . . . 18 ILE HG2 . 11200 1 179 . 1 1 18 18 ILE HG23 H 1 0.877 0.030 . 1 . . . . 18 ILE HG2 . 11200 1 180 . 1 1 18 18 ILE C C 13 177.060 0.300 . 1 . . . . 18 ILE C . 11200 1 181 . 1 1 18 18 ILE CA C 13 61.466 0.300 . 1 . . . . 18 ILE CA . 11200 1 182 . 1 1 18 18 ILE CB C 13 38.668 0.300 . 1 . . . . 18 ILE CB . 11200 1 183 . 1 1 18 18 ILE CD1 C 13 13.086 0.300 . 1 . . . . 18 ILE CD1 . 11200 1 184 . 1 1 18 18 ILE CG1 C 13 27.458 0.300 . 1 . . . . 18 ILE CG1 . 11200 1 185 . 1 1 18 18 ILE CG2 C 13 17.599 0.300 . 1 . . . . 18 ILE CG2 . 11200 1 186 . 1 1 18 18 ILE N N 15 122.253 0.300 . 1 . . . . 18 ILE N . 11200 1 187 . 1 1 19 19 GLY H H 1 8.517 0.030 . 1 . . . . 19 GLY H . 11200 1 188 . 1 1 19 19 GLY HA2 H 1 3.945 0.030 . 2 . . . . 19 GLY HA2 . 11200 1 189 . 1 1 19 19 GLY HA3 H 1 3.705 0.030 . 2 . . . . 19 GLY HA3 . 11200 1 190 . 1 1 19 19 GLY C C 13 173.565 0.300 . 1 . . . . 19 GLY C . 11200 1 191 . 1 1 19 19 GLY CA C 13 45.074 0.300 . 1 . . . . 19 GLY CA . 11200 1 192 . 1 1 19 19 GLY N N 15 111.426 0.300 . 1 . . . . 19 GLY N . 11200 1 193 . 1 1 20 20 HIS H H 1 8.186 0.030 . 1 . . . . 20 HIS H . 11200 1 194 . 1 1 20 20 HIS HA H 1 4.685 0.030 . 1 . . . . 20 HIS HA . 11200 1 195 . 1 1 20 20 HIS HB2 H 1 3.018 0.030 . 2 . . . . 20 HIS HB2 . 11200 1 196 . 1 1 20 20 HIS HB3 H 1 2.988 0.030 . 2 . . . . 20 HIS HB3 . 11200 1 197 . 1 1 20 20 HIS HD2 H 1 6.990 0.030 . 1 . . . . 20 HIS HD2 . 11200 1 198 . 1 1 20 20 HIS C C 13 174.270 0.300 . 1 . . . . 20 HIS C . 11200 1 199 . 1 1 20 20 HIS CA C 13 55.460 0.300 . 1 . . . . 20 HIS CA . 11200 1 200 . 1 1 20 20 HIS CB C 13 29.592 0.300 . 1 . . . . 20 HIS CB . 11200 1 201 . 1 1 20 20 HIS CD2 C 13 119.739 0.300 . 1 . . . . 20 HIS CD2 . 11200 1 202 . 1 1 20 20 HIS N N 15 117.963 0.300 . 1 . . . . 20 HIS N . 11200 1 203 . 1 1 21 21 TYR H H 1 8.364 0.030 . 1 . . . . 21 TYR H . 11200 1 204 . 1 1 21 21 TYR HA H 1 4.577 0.030 . 1 . . . . 21 TYR HA . 11200 1 205 . 1 1 21 21 TYR HB2 H 1 3.041 0.030 . 2 . . . . 21 TYR HB2 . 11200 1 206 . 1 1 21 21 TYR HB3 H 1 2.747 0.030 . 2 . . . . 21 TYR HB3 . 11200 1 207 . 1 1 21 21 TYR HD1 H 1 7.018 0.030 . 1 . . . . 21 TYR HD1 . 11200 1 208 . 1 1 21 21 TYR HD2 H 1 7.018 0.030 . 1 . . . . 21 TYR HD2 . 11200 1 209 . 1 1 21 21 TYR HE1 H 1 6.747 0.030 . 1 . . . . 21 TYR HE1 . 11200 1 210 . 1 1 21 21 TYR HE2 H 1 6.747 0.030 . 1 . . . . 21 TYR HE2 . 11200 1 211 . 1 1 21 21 TYR C C 13 176.303 0.300 . 1 . . . . 21 TYR C . 11200 1 212 . 1 1 21 21 TYR CA C 13 57.748 0.300 . 1 . . . . 21 TYR CA . 11200 1 213 . 1 1 21 21 TYR CB C 13 38.919 0.300 . 1 . . . . 21 TYR CB . 11200 1 214 . 1 1 21 21 TYR CD1 C 13 133.082 0.300 . 1 . . . . 21 TYR CD1 . 11200 1 215 . 1 1 21 21 TYR CD2 C 13 133.082 0.300 . 1 . . . . 21 TYR CD2 . 11200 1 216 . 1 1 21 21 TYR CE1 C 13 118.000 0.300 . 1 . . . . 21 TYR CE1 . 11200 1 217 . 1 1 21 21 TYR CE2 C 13 118.000 0.300 . 1 . . . . 21 TYR CE2 . 11200 1 218 . 1 1 21 21 TYR N N 15 121.637 0.300 . 1 . . . . 21 TYR N . 11200 1 219 . 1 1 22 22 GLY H H 1 8.424 0.030 . 1 . . . . 22 GLY H . 11200 1 220 . 1 1 22 22 GLY HA2 H 1 3.884 0.030 . 1 . . . . 22 GLY HA2 . 11200 1 221 . 1 1 22 22 GLY HA3 H 1 3.884 0.030 . 1 . . . . 22 GLY HA3 . 11200 1 222 . 1 1 22 22 GLY C C 13 174.754 0.300 . 1 . . . . 22 GLY C . 11200 1 223 . 1 1 22 22 GLY CA C 13 46.117 0.300 . 1 . . . . 22 GLY CA . 11200 1 224 . 1 1 22 22 GLY N N 15 111.079 0.300 . 1 . . . . 22 GLY N . 11200 1 225 . 1 1 23 23 GLY H H 1 8.364 0.030 . 1 . . . . 23 GLY H . 11200 1 226 . 1 1 23 23 GLY HA2 H 1 4.014 0.030 . 2 . . . . 23 GLY HA2 . 11200 1 227 . 1 1 23 23 GLY HA3 H 1 3.929 0.030 . 2 . . . . 23 GLY HA3 . 11200 1 228 . 1 1 23 23 GLY C C 13 174.362 0.300 . 1 . . . . 23 GLY C . 11200 1 229 . 1 1 23 23 GLY CA C 13 45.349 0.300 . 1 . . . . 23 GLY CA . 11200 1 230 . 1 1 23 23 GLY N N 15 109.492 0.300 . 1 . . . . 23 GLY N . 11200 1 231 . 1 1 24 24 GLU H H 1 8.247 0.030 . 1 . . . . 24 GLU H . 11200 1 232 . 1 1 24 24 GLU HA H 1 4.438 0.030 . 1 . . . . 24 GLU HA . 11200 1 233 . 1 1 24 24 GLU HB2 H 1 2.074 0.030 . 2 . . . . 24 GLU HB2 . 11200 1 234 . 1 1 24 24 GLU HB3 H 1 1.964 0.030 . 2 . . . . 24 GLU HB3 . 11200 1 235 . 1 1 24 24 GLU HG2 H 1 2.287 0.030 . 1 . . . . 24 GLU HG2 . 11200 1 236 . 1 1 24 24 GLU HG3 H 1 2.287 0.030 . 1 . . . . 24 GLU HG3 . 11200 1 237 . 1 1 24 24 GLU C C 13 176.484 0.300 . 1 . . . . 24 GLU C . 11200 1 238 . 1 1 24 24 GLU CA C 13 56.381 0.300 . 1 . . . . 24 GLU CA . 11200 1 239 . 1 1 24 24 GLU CB C 13 30.583 0.300 . 1 . . . . 24 GLU CB . 11200 1 240 . 1 1 24 24 GLU CG C 13 36.108 0.300 . 1 . . . . 24 GLU CG . 11200 1 241 . 1 1 24 24 GLU N N 15 119.993 0.300 . 1 . . . . 24 GLU N . 11200 1 242 . 1 1 25 25 THR H H 1 8.490 0.030 . 1 . . . . 25 THR H . 11200 1 243 . 1 1 25 25 THR HA H 1 4.357 0.030 . 1 . . . . 25 THR HA . 11200 1 244 . 1 1 25 25 THR HB H 1 4.174 0.030 . 1 . . . . 25 THR HB . 11200 1 245 . 1 1 25 25 THR HG21 H 1 1.195 0.030 . 1 . . . . 25 THR HG2 . 11200 1 246 . 1 1 25 25 THR HG22 H 1 1.195 0.030 . 1 . . . . 25 THR HG2 . 11200 1 247 . 1 1 25 25 THR HG23 H 1 1.195 0.030 . 1 . . . . 25 THR HG2 . 11200 1 248 . 1 1 25 25 THR C C 13 173.863 0.300 . 1 . . . . 25 THR C . 11200 1 249 . 1 1 25 25 THR CA C 13 62.611 0.300 . 1 . . . . 25 THR CA . 11200 1 250 . 1 1 25 25 THR CB C 13 69.336 0.300 . 1 . . . . 25 THR CB . 11200 1 251 . 1 1 25 25 THR CG2 C 13 21.904 0.300 . 1 . . . . 25 THR CG2 . 11200 1 252 . 1 1 25 25 THR N N 15 116.837 0.300 . 1 . . . . 25 THR N . 11200 1 253 . 1 1 26 26 VAL H H 1 7.708 0.030 . 1 . . . . 26 VAL H . 11200 1 254 . 1 1 26 26 VAL HA H 1 4.814 0.030 . 1 . . . . 26 VAL HA . 11200 1 255 . 1 1 26 26 VAL HB H 1 1.951 0.030 . 1 . . . . 26 VAL HB . 11200 1 256 . 1 1 26 26 VAL HG11 H 1 0.656 0.030 . 1 . . . . 26 VAL HG1 . 11200 1 257 . 1 1 26 26 VAL HG12 H 1 0.656 0.030 . 1 . . . . 26 VAL HG1 . 11200 1 258 . 1 1 26 26 VAL HG13 H 1 0.656 0.030 . 1 . . . . 26 VAL HG1 . 11200 1 259 . 1 1 26 26 VAL HG21 H 1 0.676 0.030 . 1 . . . . 26 VAL HG2 . 11200 1 260 . 1 1 26 26 VAL HG22 H 1 0.676 0.030 . 1 . . . . 26 VAL HG2 . 11200 1 261 . 1 1 26 26 VAL HG23 H 1 0.676 0.030 . 1 . . . . 26 VAL HG2 . 11200 1 262 . 1 1 26 26 VAL C C 13 175.235 0.300 . 1 . . . . 26 VAL C . 11200 1 263 . 1 1 26 26 VAL CA C 13 60.078 0.300 . 1 . . . . 26 VAL CA . 11200 1 264 . 1 1 26 26 VAL CB C 13 34.148 0.300 . 1 . . . . 26 VAL CB . 11200 1 265 . 1 1 26 26 VAL CG1 C 13 21.886 0.300 . 2 . . . . 26 VAL CG1 . 11200 1 266 . 1 1 26 26 VAL CG2 C 13 19.290 0.300 . 2 . . . . 26 VAL CG2 . 11200 1 267 . 1 1 26 26 VAL N N 15 118.523 0.300 . 1 . . . . 26 VAL N . 11200 1 268 . 1 1 27 27 LYS H H 1 9.161 0.030 . 1 . . . . 27 LYS H . 11200 1 269 . 1 1 27 27 LYS HA H 1 4.772 0.030 . 1 . . . . 27 LYS HA . 11200 1 270 . 1 1 27 27 LYS HB2 H 1 1.617 0.030 . 1 . . . . 27 LYS HB2 . 11200 1 271 . 1 1 27 27 LYS HB3 H 1 1.617 0.030 . 1 . . . . 27 LYS HB3 . 11200 1 272 . 1 1 27 27 LYS HD2 H 1 1.642 0.030 . 1 . . . . 27 LYS HD2 . 11200 1 273 . 1 1 27 27 LYS HD3 H 1 1.642 0.030 . 1 . . . . 27 LYS HD3 . 11200 1 274 . 1 1 27 27 LYS HE2 H 1 2.904 0.030 . 2 . . . . 27 LYS HE2 . 11200 1 275 . 1 1 27 27 LYS HE3 H 1 2.831 0.030 . 2 . . . . 27 LYS HE3 . 11200 1 276 . 1 1 27 27 LYS HG2 H 1 1.417 0.030 . 2 . . . . 27 LYS HG2 . 11200 1 277 . 1 1 27 27 LYS HG3 H 1 1.265 0.030 . 2 . . . . 27 LYS HG3 . 11200 1 278 . 1 1 27 27 LYS C C 13 173.999 0.300 . 1 . . . . 27 LYS C . 11200 1 279 . 1 1 27 27 LYS CA C 13 54.323 0.300 . 1 . . . . 27 LYS CA . 11200 1 280 . 1 1 27 27 LYS CB C 13 36.603 0.300 . 1 . . . . 27 LYS CB . 11200 1 281 . 1 1 27 27 LYS CD C 13 29.541 0.300 . 1 . . . . 27 LYS CD . 11200 1 282 . 1 1 27 27 LYS CE C 13 42.085 0.300 . 1 . . . . 27 LYS CE . 11200 1 283 . 1 1 27 27 LYS CG C 13 25.002 0.300 . 1 . . . . 27 LYS CG . 11200 1 284 . 1 1 27 27 LYS N N 15 123.468 0.300 . 1 . . . . 27 LYS N . 11200 1 285 . 1 1 28 28 ILE H H 1 8.599 0.030 . 1 . . . . 28 ILE H . 11200 1 286 . 1 1 28 28 ILE HA H 1 5.133 0.030 . 1 . . . . 28 ILE HA . 11200 1 287 . 1 1 28 28 ILE HB H 1 1.713 0.030 . 1 . . . . 28 ILE HB . 11200 1 288 . 1 1 28 28 ILE HD11 H 1 0.804 0.030 . 1 . . . . 28 ILE HD1 . 11200 1 289 . 1 1 28 28 ILE HD12 H 1 0.804 0.030 . 1 . . . . 28 ILE HD1 . 11200 1 290 . 1 1 28 28 ILE HD13 H 1 0.804 0.030 . 1 . . . . 28 ILE HD1 . 11200 1 291 . 1 1 28 28 ILE HG12 H 1 1.503 0.030 . 2 . . . . 28 ILE HG12 . 11200 1 292 . 1 1 28 28 ILE HG13 H 1 1.056 0.030 . 2 . . . . 28 ILE HG13 . 11200 1 293 . 1 1 28 28 ILE HG21 H 1 0.728 0.030 . 1 . . . . 28 ILE HG2 . 11200 1 294 . 1 1 28 28 ILE HG22 H 1 0.728 0.030 . 1 . . . . 28 ILE HG2 . 11200 1 295 . 1 1 28 28 ILE HG23 H 1 0.728 0.030 . 1 . . . . 28 ILE HG2 . 11200 1 296 . 1 1 28 28 ILE C C 13 176.587 0.300 . 1 . . . . 28 ILE C . 11200 1 297 . 1 1 28 28 ILE CA C 13 60.317 0.300 . 1 . . . . 28 ILE CA . 11200 1 298 . 1 1 28 28 ILE CB C 13 38.889 0.300 . 1 . . . . 28 ILE CB . 11200 1 299 . 1 1 28 28 ILE CD1 C 13 13.720 0.300 . 1 . . . . 28 ILE CD1 . 11200 1 300 . 1 1 28 28 ILE CG1 C 13 28.459 0.300 . 1 . . . . 28 ILE CG1 . 11200 1 301 . 1 1 28 28 ILE CG2 C 13 17.783 0.300 . 1 . . . . 28 ILE CG2 . 11200 1 302 . 1 1 28 28 ILE N N 15 125.018 0.300 . 1 . . . . 28 ILE N . 11200 1 303 . 1 1 29 29 VAL H H 1 9.058 0.030 . 1 . . . . 29 VAL H . 11200 1 304 . 1 1 29 29 VAL HA H 1 4.804 0.030 . 1 . . . . 29 VAL HA . 11200 1 305 . 1 1 29 29 VAL HB H 1 2.004 0.030 . 1 . . . . 29 VAL HB . 11200 1 306 . 1 1 29 29 VAL HG11 H 1 0.881 0.030 . 1 . . . . 29 VAL HG1 . 11200 1 307 . 1 1 29 29 VAL HG12 H 1 0.881 0.030 . 1 . . . . 29 VAL HG1 . 11200 1 308 . 1 1 29 29 VAL HG13 H 1 0.881 0.030 . 1 . . . . 29 VAL HG1 . 11200 1 309 . 1 1 29 29 VAL HG21 H 1 0.825 0.030 . 1 . . . . 29 VAL HG2 . 11200 1 310 . 1 1 29 29 VAL HG22 H 1 0.825 0.030 . 1 . . . . 29 VAL HG2 . 11200 1 311 . 1 1 29 29 VAL HG23 H 1 0.825 0.030 . 1 . . . . 29 VAL HG2 . 11200 1 312 . 1 1 29 29 VAL C C 13 173.675 0.300 . 1 . . . . 29 VAL C . 11200 1 313 . 1 1 29 29 VAL CA C 13 59.673 0.300 . 1 . . . . 29 VAL CA . 11200 1 314 . 1 1 29 29 VAL CB C 13 35.902 0.300 . 1 . . . . 29 VAL CB . 11200 1 315 . 1 1 29 29 VAL CG1 C 13 21.952 0.300 . 2 . . . . 29 VAL CG1 . 11200 1 316 . 1 1 29 29 VAL CG2 C 13 20.225 0.300 . 2 . . . . 29 VAL CG2 . 11200 1 317 . 1 1 29 29 VAL N N 15 123.290 0.300 . 1 . . . . 29 VAL N . 11200 1 318 . 1 1 30 30 ARG H H 1 8.454 0.030 . 1 . . . . 30 ARG H . 11200 1 319 . 1 1 30 30 ARG HA H 1 5.524 0.030 . 1 . . . . 30 ARG HA . 11200 1 320 . 1 1 30 30 ARG HB2 H 1 1.618 0.030 . 2 . . . . 30 ARG HB2 . 11200 1 321 . 1 1 30 30 ARG HB3 H 1 1.524 0.030 . 2 . . . . 30 ARG HB3 . 11200 1 322 . 1 1 30 30 ARG HD2 H 1 3.086 0.030 . 2 . . . . 30 ARG HD2 . 11200 1 323 . 1 1 30 30 ARG HD3 H 1 3.035 0.030 . 2 . . . . 30 ARG HD3 . 11200 1 324 . 1 1 30 30 ARG HE H 1 7.164 0.030 . 1 . . . . 30 ARG HE . 11200 1 325 . 1 1 30 30 ARG HG2 H 1 1.523 0.030 . 1 . . . . 30 ARG HG2 . 11200 1 326 . 1 1 30 30 ARG HG3 H 1 1.523 0.030 . 1 . . . . 30 ARG HG3 . 11200 1 327 . 1 1 30 30 ARG C C 13 175.216 0.300 . 1 . . . . 30 ARG C . 11200 1 328 . 1 1 30 30 ARG CA C 13 54.655 0.300 . 1 . . . . 30 ARG CA . 11200 1 329 . 1 1 30 30 ARG CB C 13 32.426 0.300 . 1 . . . . 30 ARG CB . 11200 1 330 . 1 1 30 30 ARG CD C 13 43.566 0.300 . 1 . . . . 30 ARG CD . 11200 1 331 . 1 1 30 30 ARG CG C 13 27.922 0.300 . 1 . . . . 30 ARG CG . 11200 1 332 . 1 1 30 30 ARG N N 15 124.327 0.300 . 1 . . . . 30 ARG N . 11200 1 333 . 1 1 30 30 ARG NE N 15 118.103 0.300 . 1 . . . . 30 ARG NE . 11200 1 334 . 1 1 31 31 ILE H H 1 9.126 0.030 . 1 . . . . 31 ILE H . 11200 1 335 . 1 1 31 31 ILE HA H 1 4.419 0.030 . 1 . . . . 31 ILE HA . 11200 1 336 . 1 1 31 31 ILE HB H 1 1.812 0.030 . 1 . . . . 31 ILE HB . 11200 1 337 . 1 1 31 31 ILE HD11 H 1 0.542 0.030 . 1 . . . . 31 ILE HD1 . 11200 1 338 . 1 1 31 31 ILE HD12 H 1 0.542 0.030 . 1 . . . . 31 ILE HD1 . 11200 1 339 . 1 1 31 31 ILE HD13 H 1 0.542 0.030 . 1 . . . . 31 ILE HD1 . 11200 1 340 . 1 1 31 31 ILE HG12 H 1 1.343 0.030 . 2 . . . . 31 ILE HG12 . 11200 1 341 . 1 1 31 31 ILE HG13 H 1 1.106 0.030 . 2 . . . . 31 ILE HG13 . 11200 1 342 . 1 1 31 31 ILE HG21 H 1 0.742 0.030 . 1 . . . . 31 ILE HG2 . 11200 1 343 . 1 1 31 31 ILE HG22 H 1 0.742 0.030 . 1 . . . . 31 ILE HG2 . 11200 1 344 . 1 1 31 31 ILE HG23 H 1 0.742 0.030 . 1 . . . . 31 ILE HG2 . 11200 1 345 . 1 1 31 31 ILE C C 13 174.200 0.300 . 1 . . . . 31 ILE C . 11200 1 346 . 1 1 31 31 ILE CA C 13 59.130 0.300 . 1 . . . . 31 ILE CA . 11200 1 347 . 1 1 31 31 ILE CB C 13 41.599 0.300 . 1 . . . . 31 ILE CB . 11200 1 348 . 1 1 31 31 ILE CD1 C 13 13.517 0.300 . 1 . . . . 31 ILE CD1 . 11200 1 349 . 1 1 31 31 ILE CG1 C 13 27.597 0.300 . 1 . . . . 31 ILE CG1 . 11200 1 350 . 1 1 31 31 ILE CG2 C 13 16.905 0.300 . 1 . . . . 31 ILE CG2 . 11200 1 351 . 1 1 31 31 ILE N N 15 122.031 0.300 . 1 . . . . 31 ILE N . 11200 1 352 . 1 1 32 32 GLU H H 1 8.674 0.030 . 1 . . . . 32 GLU H . 11200 1 353 . 1 1 32 32 GLU HA H 1 4.698 0.030 . 1 . . . . 32 GLU HA . 11200 1 354 . 1 1 32 32 GLU HB2 H 1 1.895 0.030 . 2 . . . . 32 GLU HB2 . 11200 1 355 . 1 1 32 32 GLU HB3 H 1 1.857 0.030 . 2 . . . . 32 GLU HB3 . 11200 1 356 . 1 1 32 32 GLU HG2 H 1 2.160 0.030 . 1 . . . . 32 GLU HG2 . 11200 1 357 . 1 1 32 32 GLU HG3 H 1 2.160 0.030 . 1 . . . . 32 GLU HG3 . 11200 1 358 . 1 1 32 32 GLU C C 13 175.494 0.300 . 1 . . . . 32 GLU C . 11200 1 359 . 1 1 32 32 GLU CA C 13 55.364 0.300 . 1 . . . . 32 GLU CA . 11200 1 360 . 1 1 32 32 GLU CB C 13 30.160 0.300 . 1 . . . . 32 GLU CB . 11200 1 361 . 1 1 32 32 GLU CG C 13 35.776 0.300 . 1 . . . . 32 GLU CG . 11200 1 362 . 1 1 32 32 GLU N N 15 126.242 0.300 . 1 . . . . 32 GLU N . 11200 1 363 . 1 1 33 33 LYS H H 1 8.834 0.030 . 1 . . . . 33 LYS H . 11200 1 364 . 1 1 33 33 LYS HA H 1 4.495 0.030 . 1 . . . . 33 LYS HA . 11200 1 365 . 1 1 33 33 LYS HB2 H 1 1.813 0.030 . 2 . . . . 33 LYS HB2 . 11200 1 366 . 1 1 33 33 LYS HB3 H 1 1.436 0.030 . 2 . . . . 33 LYS HB3 . 11200 1 367 . 1 1 33 33 LYS HD2 H 1 1.710 0.030 . 2 . . . . 33 LYS HD2 . 11200 1 368 . 1 1 33 33 LYS HD3 H 1 1.483 0.030 . 2 . . . . 33 LYS HD3 . 11200 1 369 . 1 1 33 33 LYS HE2 H 1 3.168 0.030 . 1 . . . . 33 LYS HE2 . 11200 1 370 . 1 1 33 33 LYS HE3 H 1 3.168 0.030 . 1 . . . . 33 LYS HE3 . 11200 1 371 . 1 1 33 33 LYS HG2 H 1 1.551 0.030 . 2 . . . . 33 LYS HG2 . 11200 1 372 . 1 1 33 33 LYS HG3 H 1 1.345 0.030 . 2 . . . . 33 LYS HG3 . 11200 1 373 . 1 1 33 33 LYS C C 13 174.666 0.300 . 1 . . . . 33 LYS C . 11200 1 374 . 1 1 33 33 LYS CA C 13 55.160 0.300 . 1 . . . . 33 LYS CA . 11200 1 375 . 1 1 33 33 LYS CB C 13 34.769 0.300 . 1 . . . . 33 LYS CB . 11200 1 376 . 1 1 33 33 LYS CD C 13 29.358 0.300 . 1 . . . . 33 LYS CD . 11200 1 377 . 1 1 33 33 LYS CE C 13 42.108 0.300 . 1 . . . . 33 LYS CE . 11200 1 378 . 1 1 33 33 LYS CG C 13 23.999 0.300 . 1 . . . . 33 LYS CG . 11200 1 379 . 1 1 33 33 LYS N N 15 126.961 0.300 . 1 . . . . 33 LYS N . 11200 1 380 . 1 1 34 34 ALA H H 1 8.545 0.030 . 1 . . . . 34 ALA H . 11200 1 381 . 1 1 34 34 ALA HA H 1 4.521 0.030 . 1 . . . . 34 ALA HA . 11200 1 382 . 1 1 34 34 ALA HB1 H 1 1.498 0.030 . 1 . . . . 34 ALA HB . 11200 1 383 . 1 1 34 34 ALA HB2 H 1 1.498 0.030 . 1 . . . . 34 ALA HB . 11200 1 384 . 1 1 34 34 ALA HB3 H 1 1.498 0.030 . 1 . . . . 34 ALA HB . 11200 1 385 . 1 1 34 34 ALA C C 13 178.082 0.300 . 1 . . . . 34 ALA C . 11200 1 386 . 1 1 34 34 ALA CA C 13 52.007 0.300 . 1 . . . . 34 ALA CA . 11200 1 387 . 1 1 34 34 ALA CB C 13 19.670 0.300 . 1 . . . . 34 ALA CB . 11200 1 388 . 1 1 34 34 ALA N N 15 130.614 0.300 . 1 . . . . 34 ALA N . 11200 1 389 . 1 1 35 35 ARG H H 1 8.829 0.030 . 1 . . . . 35 ARG H . 11200 1 390 . 1 1 35 35 ARG HA H 1 3.896 0.030 . 1 . . . . 35 ARG HA . 11200 1 391 . 1 1 35 35 ARG HB2 H 1 1.612 0.030 . 2 . . . . 35 ARG HB2 . 11200 1 392 . 1 1 35 35 ARG HB3 H 1 1.525 0.030 . 2 . . . . 35 ARG HB3 . 11200 1 393 . 1 1 35 35 ARG HD2 H 1 2.964 0.030 . 1 . . . . 35 ARG HD2 . 11200 1 394 . 1 1 35 35 ARG HD3 H 1 2.964 0.030 . 1 . . . . 35 ARG HD3 . 11200 1 395 . 1 1 35 35 ARG HG2 H 1 1.401 0.030 . 2 . . . . 35 ARG HG2 . 11200 1 396 . 1 1 35 35 ARG HG3 H 1 1.373 0.030 . 2 . . . . 35 ARG HG3 . 11200 1 397 . 1 1 35 35 ARG C C 13 176.517 0.300 . 1 . . . . 35 ARG C . 11200 1 398 . 1 1 35 35 ARG CA C 13 58.651 0.300 . 1 . . . . 35 ARG CA . 11200 1 399 . 1 1 35 35 ARG CB C 13 30.287 0.300 . 1 . . . . 35 ARG CB . 11200 1 400 . 1 1 35 35 ARG CD C 13 43.288 0.300 . 1 . . . . 35 ARG CD . 11200 1 401 . 1 1 35 35 ARG CG C 13 27.111 0.300 . 1 . . . . 35 ARG CG . 11200 1 402 . 1 1 35 35 ARG N N 15 120.895 0.300 . 1 . . . . 35 ARG N . 11200 1 403 . 1 1 36 36 ASP H H 1 8.509 0.030 . 1 . . . . 36 ASP H . 11200 1 404 . 1 1 36 36 ASP HA H 1 4.457 0.030 . 1 . . . . 36 ASP HA . 11200 1 405 . 1 1 36 36 ASP HB2 H 1 2.819 0.030 . 2 . . . . 36 ASP HB2 . 11200 1 406 . 1 1 36 36 ASP HB3 H 1 2.710 0.030 . 2 . . . . 36 ASP HB3 . 11200 1 407 . 1 1 36 36 ASP C C 13 175.002 0.300 . 1 . . . . 36 ASP C . 11200 1 408 . 1 1 36 36 ASP CA C 13 54.752 0.300 . 1 . . . . 36 ASP CA . 11200 1 409 . 1 1 36 36 ASP CB C 13 39.934 0.300 . 1 . . . . 36 ASP CB . 11200 1 410 . 1 1 36 36 ASP N N 15 114.361 0.300 . 1 . . . . 36 ASP N . 11200 1 411 . 1 1 37 37 ILE H H 1 7.347 0.030 . 1 . . . . 37 ILE H . 11200 1 412 . 1 1 37 37 ILE HA H 1 4.725 0.030 . 1 . . . . 37 ILE HA . 11200 1 413 . 1 1 37 37 ILE HB H 1 1.972 0.030 . 1 . . . . 37 ILE HB . 11200 1 414 . 1 1 37 37 ILE HD11 H 1 0.844 0.030 . 1 . . . . 37 ILE HD1 . 11200 1 415 . 1 1 37 37 ILE HD12 H 1 0.844 0.030 . 1 . . . . 37 ILE HD1 . 11200 1 416 . 1 1 37 37 ILE HD13 H 1 0.844 0.030 . 1 . . . . 37 ILE HD1 . 11200 1 417 . 1 1 37 37 ILE HG12 H 1 1.498 0.030 . 2 . . . . 37 ILE HG12 . 11200 1 418 . 1 1 37 37 ILE HG13 H 1 1.282 0.030 . 2 . . . . 37 ILE HG13 . 11200 1 419 . 1 1 37 37 ILE HG21 H 1 1.041 0.030 . 1 . . . . 37 ILE HG2 . 11200 1 420 . 1 1 37 37 ILE HG22 H 1 1.041 0.030 . 1 . . . . 37 ILE HG2 . 11200 1 421 . 1 1 37 37 ILE HG23 H 1 1.041 0.030 . 1 . . . . 37 ILE HG2 . 11200 1 422 . 1 1 37 37 ILE C C 13 173.424 0.300 . 1 . . . . 37 ILE C . 11200 1 423 . 1 1 37 37 ILE CA C 13 56.843 0.300 . 1 . . . . 37 ILE CA . 11200 1 424 . 1 1 37 37 ILE CB C 13 39.282 0.300 . 1 . . . . 37 ILE CB . 11200 1 425 . 1 1 37 37 ILE CD1 C 13 11.854 0.300 . 1 . . . . 37 ILE CD1 . 11200 1 426 . 1 1 37 37 ILE CG1 C 13 26.777 0.300 . 1 . . . . 37 ILE CG1 . 11200 1 427 . 1 1 37 37 ILE CG2 C 13 16.601 0.300 . 1 . . . . 37 ILE CG2 . 11200 1 428 . 1 1 37 37 ILE N N 15 120.928 0.300 . 1 . . . . 37 ILE N . 11200 1 429 . 1 1 38 38 PRO HA H 1 4.557 0.030 . 1 . . . . 38 PRO HA . 11200 1 430 . 1 1 38 38 PRO HB2 H 1 2.375 0.030 . 2 . . . . 38 PRO HB2 . 11200 1 431 . 1 1 38 38 PRO HB3 H 1 1.908 0.030 . 2 . . . . 38 PRO HB3 . 11200 1 432 . 1 1 38 38 PRO HD2 H 1 3.870 0.030 . 2 . . . . 38 PRO HD2 . 11200 1 433 . 1 1 38 38 PRO HD3 H 1 3.766 0.030 . 2 . . . . 38 PRO HD3 . 11200 1 434 . 1 1 38 38 PRO HG2 H 1 2.020 0.030 . 1 . . . . 38 PRO HG2 . 11200 1 435 . 1 1 38 38 PRO HG3 H 1 2.020 0.030 . 1 . . . . 38 PRO HG3 . 11200 1 436 . 1 1 38 38 PRO C C 13 177.138 0.300 . 1 . . . . 38 PRO C . 11200 1 437 . 1 1 38 38 PRO CA C 13 62.078 0.300 . 1 . . . . 38 PRO CA . 11200 1 438 . 1 1 38 38 PRO CB C 13 32.298 0.300 . 1 . . . . 38 PRO CB . 11200 1 439 . 1 1 38 38 PRO CD C 13 50.952 0.300 . 1 . . . . 38 PRO CD . 11200 1 440 . 1 1 38 38 PRO CG C 13 27.367 0.300 . 1 . . . . 38 PRO CG . 11200 1 441 . 1 1 39 39 LEU H H 1 9.156 0.030 . 1 . . . . 39 LEU H . 11200 1 442 . 1 1 39 39 LEU HA H 1 4.021 0.030 . 1 . . . . 39 LEU HA . 11200 1 443 . 1 1 39 39 LEU HB2 H 1 1.983 0.030 . 2 . . . . 39 LEU HB2 . 11200 1 444 . 1 1 39 39 LEU HB3 H 1 1.533 0.030 . 2 . . . . 39 LEU HB3 . 11200 1 445 . 1 1 39 39 LEU HD11 H 1 0.982 0.030 . 1 . . . . 39 LEU HD1 . 11200 1 446 . 1 1 39 39 LEU HD12 H 1 0.982 0.030 . 1 . . . . 39 LEU HD1 . 11200 1 447 . 1 1 39 39 LEU HD13 H 1 0.982 0.030 . 1 . . . . 39 LEU HD1 . 11200 1 448 . 1 1 39 39 LEU HD21 H 1 0.873 0.030 . 1 . . . . 39 LEU HD2 . 11200 1 449 . 1 1 39 39 LEU HD22 H 1 0.873 0.030 . 1 . . . . 39 LEU HD2 . 11200 1 450 . 1 1 39 39 LEU HD23 H 1 0.873 0.030 . 1 . . . . 39 LEU HD2 . 11200 1 451 . 1 1 39 39 LEU HG H 1 1.559 0.030 . 1 . . . . 39 LEU HG . 11200 1 452 . 1 1 39 39 LEU C C 13 177.384 0.300 . 1 . . . . 39 LEU C . 11200 1 453 . 1 1 39 39 LEU CA C 13 57.648 0.300 . 1 . . . . 39 LEU CA . 11200 1 454 . 1 1 39 39 LEU CB C 13 41.935 0.300 . 1 . . . . 39 LEU CB . 11200 1 455 . 1 1 39 39 LEU CD1 C 13 26.331 0.300 . 2 . . . . 39 LEU CD1 . 11200 1 456 . 1 1 39 39 LEU CD2 C 13 23.362 0.300 . 2 . . . . 39 LEU CD2 . 11200 1 457 . 1 1 39 39 LEU CG C 13 27.192 0.300 . 1 . . . . 39 LEU CG . 11200 1 458 . 1 1 39 39 LEU N N 15 122.397 0.300 . 1 . . . . 39 LEU N . 11200 1 459 . 1 1 40 40 GLY H H 1 8.669 0.030 . 1 . . . . 40 GLY H . 11200 1 460 . 1 1 40 40 GLY HA2 H 1 3.947 0.030 . 2 . . . . 40 GLY HA2 . 11200 1 461 . 1 1 40 40 GLY HA3 H 1 3.842 0.030 . 2 . . . . 40 GLY HA3 . 11200 1 462 . 1 1 40 40 GLY C C 13 174.633 0.300 . 1 . . . . 40 GLY C . 11200 1 463 . 1 1 40 40 GLY CA C 13 46.791 0.300 . 1 . . . . 40 GLY CA . 11200 1 464 . 1 1 40 40 GLY N N 15 103.112 0.300 . 1 . . . . 40 GLY N . 11200 1 465 . 1 1 41 41 ALA H H 1 7.694 0.030 . 1 . . . . 41 ALA H . 11200 1 466 . 1 1 41 41 ALA HA H 1 5.293 0.030 . 1 . . . . 41 ALA HA . 11200 1 467 . 1 1 41 41 ALA HB1 H 1 0.993 0.030 . 1 . . . . 41 ALA HB . 11200 1 468 . 1 1 41 41 ALA HB2 H 1 0.993 0.030 . 1 . . . . 41 ALA HB . 11200 1 469 . 1 1 41 41 ALA HB3 H 1 0.993 0.030 . 1 . . . . 41 ALA HB . 11200 1 470 . 1 1 41 41 ALA C C 13 175.087 0.300 . 1 . . . . 41 ALA C . 11200 1 471 . 1 1 41 41 ALA CA C 13 50.750 0.300 . 1 . . . . 41 ALA CA . 11200 1 472 . 1 1 41 41 ALA CB C 13 20.420 0.300 . 1 . . . . 41 ALA CB . 11200 1 473 . 1 1 41 41 ALA N N 15 121.981 0.300 . 1 . . . . 41 ALA N . 11200 1 474 . 1 1 42 42 THR H H 1 8.773 0.030 . 1 . . . . 42 THR H . 11200 1 475 . 1 1 42 42 THR HA H 1 4.671 0.030 . 1 . . . . 42 THR HA . 11200 1 476 . 1 1 42 42 THR HB H 1 4.205 0.030 . 1 . . . . 42 THR HB . 11200 1 477 . 1 1 42 42 THR HG21 H 1 1.198 0.030 . 1 . . . . 42 THR HG2 . 11200 1 478 . 1 1 42 42 THR HG22 H 1 1.198 0.030 . 1 . . . . 42 THR HG2 . 11200 1 479 . 1 1 42 42 THR HG23 H 1 1.198 0.030 . 1 . . . . 42 THR HG2 . 11200 1 480 . 1 1 42 42 THR C C 13 174.505 0.300 . 1 . . . . 42 THR C . 11200 1 481 . 1 1 42 42 THR CA C 13 60.845 0.300 . 1 . . . . 42 THR CA . 11200 1 482 . 1 1 42 42 THR CB C 13 70.221 0.300 . 1 . . . . 42 THR CB . 11200 1 483 . 1 1 42 42 THR CG2 C 13 22.043 0.300 . 1 . . . . 42 THR CG2 . 11200 1 484 . 1 1 42 42 THR N N 15 116.064 0.300 . 1 . . . . 42 THR N . 11200 1 485 . 1 1 43 43 VAL H H 1 7.940 0.030 . 1 . . . . 43 VAL H . 11200 1 486 . 1 1 43 43 VAL HA H 1 5.434 0.030 . 1 . . . . 43 VAL HA . 11200 1 487 . 1 1 43 43 VAL HB H 1 1.951 0.030 . 1 . . . . 43 VAL HB . 11200 1 488 . 1 1 43 43 VAL HG11 H 1 0.587 0.030 . 1 . . . . 43 VAL HG1 . 11200 1 489 . 1 1 43 43 VAL HG12 H 1 0.587 0.030 . 1 . . . . 43 VAL HG1 . 11200 1 490 . 1 1 43 43 VAL HG13 H 1 0.587 0.030 . 1 . . . . 43 VAL HG1 . 11200 1 491 . 1 1 43 43 VAL HG21 H 1 0.594 0.030 . 1 . . . . 43 VAL HG2 . 11200 1 492 . 1 1 43 43 VAL HG22 H 1 0.594 0.030 . 1 . . . . 43 VAL HG2 . 11200 1 493 . 1 1 43 43 VAL HG23 H 1 0.594 0.030 . 1 . . . . 43 VAL HG2 . 11200 1 494 . 1 1 43 43 VAL C C 13 173.980 0.300 . 1 . . . . 43 VAL C . 11200 1 495 . 1 1 43 43 VAL CA C 13 58.524 0.300 . 1 . . . . 43 VAL CA . 11200 1 496 . 1 1 43 43 VAL CB C 13 35.397 0.300 . 1 . . . . 43 VAL CB . 11200 1 497 . 1 1 43 43 VAL CG1 C 13 21.199 0.300 . 2 . . . . 43 VAL CG1 . 11200 1 498 . 1 1 43 43 VAL CG2 C 13 17.946 0.300 . 2 . . . . 43 VAL CG2 . 11200 1 499 . 1 1 43 43 VAL N N 15 114.213 0.300 . 1 . . . . 43 VAL N . 11200 1 500 . 1 1 44 44 ARG H H 1 9.164 0.030 . 1 . . . . 44 ARG H . 11200 1 501 . 1 1 44 44 ARG HA H 1 4.814 0.030 . 1 . . . . 44 ARG HA . 11200 1 502 . 1 1 44 44 ARG HB2 H 1 1.881 0.030 . 2 . . . . 44 ARG HB2 . 11200 1 503 . 1 1 44 44 ARG HB3 H 1 1.659 0.030 . 2 . . . . 44 ARG HB3 . 11200 1 504 . 1 1 44 44 ARG HD2 H 1 3.168 0.030 . 2 . . . . 44 ARG HD2 . 11200 1 505 . 1 1 44 44 ARG HD3 H 1 3.058 0.030 . 2 . . . . 44 ARG HD3 . 11200 1 506 . 1 1 44 44 ARG HE H 1 7.690 0.030 . 1 . . . . 44 ARG HE . 11200 1 507 . 1 1 44 44 ARG HG2 H 1 1.436 0.030 . 2 . . . . 44 ARG HG2 . 11200 1 508 . 1 1 44 44 ARG HG3 H 1 1.209 0.030 . 2 . . . . 44 ARG HG3 . 11200 1 509 . 1 1 44 44 ARG C C 13 173.811 0.300 . 1 . . . . 44 ARG C . 11200 1 510 . 1 1 44 44 ARG CA C 13 54.058 0.300 . 1 . . . . 44 ARG CA . 11200 1 511 . 1 1 44 44 ARG CB C 13 33.633 0.300 . 1 . . . . 44 ARG CB . 11200 1 512 . 1 1 44 44 ARG CD C 13 43.233 0.300 . 1 . . . . 44 ARG CD . 11200 1 513 . 1 1 44 44 ARG CG C 13 27.037 0.300 . 1 . . . . 44 ARG CG . 11200 1 514 . 1 1 44 44 ARG N N 15 117.509 0.300 . 1 . . . . 44 ARG N . 11200 1 515 . 1 1 44 44 ARG NE N 15 118.000 0.300 . 1 . . . . 44 ARG NE . 11200 1 516 . 1 1 45 45 ASN H H 1 8.913 0.030 . 1 . . . . 45 ASN H . 11200 1 517 . 1 1 45 45 ASN HA H 1 5.713 0.030 . 1 . . . . 45 ASN HA . 11200 1 518 . 1 1 45 45 ASN HB2 H 1 2.960 0.030 . 2 . . . . 45 ASN HB2 . 11200 1 519 . 1 1 45 45 ASN HB3 H 1 2.521 0.030 . 2 . . . . 45 ASN HB3 . 11200 1 520 . 1 1 45 45 ASN HD21 H 1 6.935 0.030 . 2 . . . . 45 ASN HD21 . 11200 1 521 . 1 1 45 45 ASN HD22 H 1 7.302 0.030 . 2 . . . . 45 ASN HD22 . 11200 1 522 . 1 1 45 45 ASN C C 13 175.532 0.300 . 1 . . . . 45 ASN C . 11200 1 523 . 1 1 45 45 ASN CA C 13 53.359 0.300 . 1 . . . . 45 ASN CA . 11200 1 524 . 1 1 45 45 ASN CB C 13 41.478 0.300 . 1 . . . . 45 ASN CB . 11200 1 525 . 1 1 45 45 ASN N N 15 118.767 0.300 . 1 . . . . 45 ASN N . 11200 1 526 . 1 1 45 45 ASN ND2 N 15 109.530 0.300 . 1 . . . . 45 ASN ND2 . 11200 1 527 . 1 1 46 46 GLU H H 1 8.407 0.030 . 1 . . . . 46 GLU H . 11200 1 528 . 1 1 46 46 GLU HA H 1 4.454 0.030 . 1 . . . . 46 GLU HA . 11200 1 529 . 1 1 46 46 GLU HB2 H 1 1.869 0.030 . 2 . . . . 46 GLU HB2 . 11200 1 530 . 1 1 46 46 GLU HB3 H 1 1.672 0.030 . 2 . . . . 46 GLU HB3 . 11200 1 531 . 1 1 46 46 GLU HG2 H 1 2.179 0.030 . 2 . . . . 46 GLU HG2 . 11200 1 532 . 1 1 46 46 GLU HG3 H 1 2.078 0.030 . 2 . . . . 46 GLU HG3 . 11200 1 533 . 1 1 46 46 GLU C C 13 175.618 0.300 . 1 . . . . 46 GLU C . 11200 1 534 . 1 1 46 46 GLU CA C 13 55.740 0.300 . 1 . . . . 46 GLU CA . 11200 1 535 . 1 1 46 46 GLU CB C 13 30.820 0.300 . 1 . . . . 46 GLU CB . 11200 1 536 . 1 1 46 46 GLU CG C 13 35.818 0.300 . 1 . . . . 46 GLU CG . 11200 1 537 . 1 1 46 46 GLU N N 15 123.935 0.300 . 1 . . . . 46 GLU N . 11200 1 538 . 1 1 47 47 MET H H 1 9.222 0.030 . 1 . . . . 47 MET H . 11200 1 539 . 1 1 47 47 MET HA H 1 3.919 0.030 . 1 . . . . 47 MET HA . 11200 1 540 . 1 1 47 47 MET HB2 H 1 2.453 0.030 . 2 . . . . 47 MET HB2 . 11200 1 541 . 1 1 47 47 MET HB3 H 1 2.191 0.030 . 2 . . . . 47 MET HB3 . 11200 1 542 . 1 1 47 47 MET HE1 H 1 2.108 0.030 . 1 . . . . 47 MET HE . 11200 1 543 . 1 1 47 47 MET HE2 H 1 2.108 0.030 . 1 . . . . 47 MET HE . 11200 1 544 . 1 1 47 47 MET HE3 H 1 2.108 0.030 . 1 . . . . 47 MET HE . 11200 1 545 . 1 1 47 47 MET HG2 H 1 2.697 0.030 . 2 . . . . 47 MET HG2 . 11200 1 546 . 1 1 47 47 MET HG3 H 1 2.569 0.030 . 2 . . . . 47 MET HG3 . 11200 1 547 . 1 1 47 47 MET C C 13 175.565 0.300 . 1 . . . . 47 MET C . 11200 1 548 . 1 1 47 47 MET CA C 13 57.636 0.300 . 1 . . . . 47 MET CA . 11200 1 549 . 1 1 47 47 MET CB C 13 29.369 0.300 . 1 . . . . 47 MET CB . 11200 1 550 . 1 1 47 47 MET CE C 13 16.856 0.300 . 1 . . . . 47 MET CE . 11200 1 551 . 1 1 47 47 MET CG C 13 32.527 0.300 . 1 . . . . 47 MET CG . 11200 1 552 . 1 1 47 47 MET N N 15 124.204 0.300 . 1 . . . . 47 MET N . 11200 1 553 . 1 1 48 48 ASP H H 1 8.541 0.030 . 1 . . . . 48 ASP H . 11200 1 554 . 1 1 48 48 ASP HA H 1 4.610 0.030 . 1 . . . . 48 ASP HA . 11200 1 555 . 1 1 48 48 ASP HB2 H 1 2.744 0.030 . 1 . . . . 48 ASP HB2 . 11200 1 556 . 1 1 48 48 ASP HB3 H 1 2.744 0.030 . 1 . . . . 48 ASP HB3 . 11200 1 557 . 1 1 48 48 ASP C C 13 175.818 0.300 . 1 . . . . 48 ASP C . 11200 1 558 . 1 1 48 48 ASP CA C 13 55.500 0.300 . 1 . . . . 48 ASP CA . 11200 1 559 . 1 1 48 48 ASP CB C 13 40.527 0.300 . 1 . . . . 48 ASP CB . 11200 1 560 . 1 1 48 48 ASP N N 15 120.098 0.300 . 1 . . . . 48 ASP N . 11200 1 561 . 1 1 49 49 SER H H 1 8.077 0.030 . 1 . . . . 49 SER H . 11200 1 562 . 1 1 49 49 SER HA H 1 4.630 0.030 . 1 . . . . 49 SER HA . 11200 1 563 . 1 1 49 49 SER HB2 H 1 3.911 0.030 . 2 . . . . 49 SER HB2 . 11200 1 564 . 1 1 49 49 SER HB3 H 1 3.602 0.030 . 2 . . . . 49 SER HB3 . 11200 1 565 . 1 1 49 49 SER C C 13 173.437 0.300 . 1 . . . . 49 SER C . 11200 1 566 . 1 1 49 49 SER CA C 13 59.776 0.300 . 1 . . . . 49 SER CA . 11200 1 567 . 1 1 49 49 SER CB C 13 64.965 0.300 . 1 . . . . 49 SER CB . 11200 1 568 . 1 1 49 49 SER N N 15 115.676 0.300 . 1 . . . . 49 SER N . 11200 1 569 . 1 1 50 50 VAL H H 1 9.875 0.030 . 1 . . . . 50 VAL H . 11200 1 570 . 1 1 50 50 VAL HA H 1 4.372 0.030 . 1 . . . . 50 VAL HA . 11200 1 571 . 1 1 50 50 VAL HB H 1 2.115 0.030 . 1 . . . . 50 VAL HB . 11200 1 572 . 1 1 50 50 VAL HG11 H 1 0.860 0.030 . 1 . . . . 50 VAL HG1 . 11200 1 573 . 1 1 50 50 VAL HG12 H 1 0.860 0.030 . 1 . . . . 50 VAL HG1 . 11200 1 574 . 1 1 50 50 VAL HG13 H 1 0.860 0.030 . 1 . . . . 50 VAL HG1 . 11200 1 575 . 1 1 50 50 VAL HG21 H 1 0.684 0.030 . 1 . . . . 50 VAL HG2 . 11200 1 576 . 1 1 50 50 VAL HG22 H 1 0.684 0.030 . 1 . . . . 50 VAL HG2 . 11200 1 577 . 1 1 50 50 VAL HG23 H 1 0.684 0.030 . 1 . . . . 50 VAL HG2 . 11200 1 578 . 1 1 50 50 VAL C C 13 173.903 0.300 . 1 . . . . 50 VAL C . 11200 1 579 . 1 1 50 50 VAL CA C 13 62.674 0.300 . 1 . . . . 50 VAL CA . 11200 1 580 . 1 1 50 50 VAL CB C 13 32.157 0.300 . 1 . . . . 50 VAL CB . 11200 1 581 . 1 1 50 50 VAL CG1 C 13 21.767 0.300 . 2 . . . . 50 VAL CG1 . 11200 1 582 . 1 1 50 50 VAL CG2 C 13 21.230 0.300 . 2 . . . . 50 VAL CG2 . 11200 1 583 . 1 1 50 50 VAL N N 15 127.547 0.300 . 1 . . . . 50 VAL N . 11200 1 584 . 1 1 51 51 ILE H H 1 8.861 0.030 . 1 . . . . 51 ILE H . 11200 1 585 . 1 1 51 51 ILE HA H 1 4.990 0.030 . 1 . . . . 51 ILE HA . 11200 1 586 . 1 1 51 51 ILE HB H 1 1.540 0.030 . 1 . . . . 51 ILE HB . 11200 1 587 . 1 1 51 51 ILE HD11 H 1 0.685 0.030 . 1 . . . . 51 ILE HD1 . 11200 1 588 . 1 1 51 51 ILE HD12 H 1 0.685 0.030 . 1 . . . . 51 ILE HD1 . 11200 1 589 . 1 1 51 51 ILE HD13 H 1 0.685 0.030 . 1 . . . . 51 ILE HD1 . 11200 1 590 . 1 1 51 51 ILE HG12 H 1 1.240 0.030 . 2 . . . . 51 ILE HG12 . 11200 1 591 . 1 1 51 51 ILE HG13 H 1 1.087 0.030 . 2 . . . . 51 ILE HG13 . 11200 1 592 . 1 1 51 51 ILE HG21 H 1 0.731 0.030 . 1 . . . . 51 ILE HG2 . 11200 1 593 . 1 1 51 51 ILE HG22 H 1 0.731 0.030 . 1 . . . . 51 ILE HG2 . 11200 1 594 . 1 1 51 51 ILE HG23 H 1 0.731 0.030 . 1 . . . . 51 ILE HG2 . 11200 1 595 . 1 1 51 51 ILE C C 13 176.710 0.300 . 1 . . . . 51 ILE C . 11200 1 596 . 1 1 51 51 ILE CA C 13 57.442 0.300 . 1 . . . . 51 ILE CA . 11200 1 597 . 1 1 51 51 ILE CB C 13 41.201 0.300 . 1 . . . . 51 ILE CB . 11200 1 598 . 1 1 51 51 ILE CD1 C 13 11.692 0.300 . 1 . . . . 51 ILE CD1 . 11200 1 599 . 1 1 51 51 ILE CG1 C 13 27.250 0.300 . 1 . . . . 51 ILE CG1 . 11200 1 600 . 1 1 51 51 ILE CG2 C 13 17.303 0.300 . 1 . . . . 51 ILE CG2 . 11200 1 601 . 1 1 51 51 ILE N N 15 126.083 0.300 . 1 . . . . 51 ILE N . 11200 1 602 . 1 1 52 52 ILE H H 1 8.861 0.030 . 1 . . . . 52 ILE H . 11200 1 603 . 1 1 52 52 ILE HA H 1 4.164 0.030 . 1 . . . . 52 ILE HA . 11200 1 604 . 1 1 52 52 ILE HB H 1 2.235 0.030 . 1 . . . . 52 ILE HB . 11200 1 605 . 1 1 52 52 ILE HD11 H 1 0.546 0.030 . 1 . . . . 52 ILE HD1 . 11200 1 606 . 1 1 52 52 ILE HD12 H 1 0.546 0.030 . 1 . . . . 52 ILE HD1 . 11200 1 607 . 1 1 52 52 ILE HD13 H 1 0.546 0.030 . 1 . . . . 52 ILE HD1 . 11200 1 608 . 1 1 52 52 ILE HG12 H 1 1.491 0.030 . 2 . . . . 52 ILE HG12 . 11200 1 609 . 1 1 52 52 ILE HG13 H 1 1.070 0.030 . 2 . . . . 52 ILE HG13 . 11200 1 610 . 1 1 52 52 ILE HG21 H 1 0.617 0.030 . 1 . . . . 52 ILE HG2 . 11200 1 611 . 1 1 52 52 ILE HG22 H 1 0.617 0.030 . 1 . . . . 52 ILE HG2 . 11200 1 612 . 1 1 52 52 ILE HG23 H 1 0.617 0.030 . 1 . . . . 52 ILE HG2 . 11200 1 613 . 1 1 52 52 ILE C C 13 175.681 0.300 . 1 . . . . 52 ILE C . 11200 1 614 . 1 1 52 52 ILE CA C 13 61.610 0.300 . 1 . . . . 52 ILE CA . 11200 1 615 . 1 1 52 52 ILE CB C 13 35.781 0.300 . 1 . . . . 52 ILE CB . 11200 1 616 . 1 1 52 52 ILE CD1 C 13 11.559 0.300 . 1 . . . . 52 ILE CD1 . 11200 1 617 . 1 1 52 52 ILE CG1 C 13 27.097 0.300 . 1 . . . . 52 ILE CG1 . 11200 1 618 . 1 1 52 52 ILE CG2 C 13 17.507 0.300 . 1 . . . . 52 ILE CG2 . 11200 1 619 . 1 1 52 52 ILE N N 15 123.621 0.300 . 1 . . . . 52 ILE N . 11200 1 620 . 1 1 53 53 SER H H 1 9.371 0.030 . 1 . . . . 53 SER H . 11200 1 621 . 1 1 53 53 SER HA H 1 4.559 0.030 . 1 . . . . 53 SER HA . 11200 1 622 . 1 1 53 53 SER HB2 H 1 3.735 0.030 . 2 . . . . 53 SER HB2 . 11200 1 623 . 1 1 53 53 SER HB3 H 1 3.538 0.030 . 2 . . . . 53 SER HB3 . 11200 1 624 . 1 1 53 53 SER C C 13 174.109 0.300 . 1 . . . . 53 SER C . 11200 1 625 . 1 1 53 53 SER CA C 13 58.021 0.300 . 1 . . . . 53 SER CA . 11200 1 626 . 1 1 53 53 SER CB C 13 64.484 0.300 . 1 . . . . 53 SER CB . 11200 1 627 . 1 1 53 53 SER N N 15 126.633 0.300 . 1 . . . . 53 SER N . 11200 1 628 . 1 1 54 54 ARG H H 1 7.329 0.030 . 1 . . . . 54 ARG H . 11200 1 629 . 1 1 54 54 ARG HA H 1 4.563 0.030 . 1 . . . . 54 ARG HA . 11200 1 630 . 1 1 54 54 ARG HB2 H 1 1.733 0.030 . 2 . . . . 54 ARG HB2 . 11200 1 631 . 1 1 54 54 ARG HB3 H 1 1.678 0.030 . 2 . . . . 54 ARG HB3 . 11200 1 632 . 1 1 54 54 ARG HD2 H 1 3.160 0.030 . 1 . . . . 54 ARG HD2 . 11200 1 633 . 1 1 54 54 ARG HD3 H 1 3.160 0.030 . 1 . . . . 54 ARG HD3 . 11200 1 634 . 1 1 54 54 ARG HG2 H 1 1.519 0.030 . 2 . . . . 54 ARG HG2 . 11200 1 635 . 1 1 54 54 ARG HG3 H 1 1.357 0.030 . 2 . . . . 54 ARG HG3 . 11200 1 636 . 1 1 54 54 ARG C C 13 174.103 0.300 . 1 . . . . 54 ARG C . 11200 1 637 . 1 1 54 54 ARG CA C 13 55.650 0.300 . 1 . . . . 54 ARG CA . 11200 1 638 . 1 1 54 54 ARG CB C 13 33.425 0.300 . 1 . . . . 54 ARG CB . 11200 1 639 . 1 1 54 54 ARG CD C 13 43.255 0.300 . 1 . . . . 54 ARG CD . 11200 1 640 . 1 1 54 54 ARG CG C 13 27.144 0.300 . 1 . . . . 54 ARG CG . 11200 1 641 . 1 1 54 54 ARG N N 15 119.148 0.300 . 1 . . . . 54 ARG N . 11200 1 642 . 1 1 55 55 ILE H H 1 8.967 0.030 . 1 . . . . 55 ILE H . 11200 1 643 . 1 1 55 55 ILE HA H 1 4.500 0.030 . 1 . . . . 55 ILE HA . 11200 1 644 . 1 1 55 55 ILE HB H 1 1.995 0.030 . 1 . . . . 55 ILE HB . 11200 1 645 . 1 1 55 55 ILE HD11 H 1 0.430 0.030 . 1 . . . . 55 ILE HD1 . 11200 1 646 . 1 1 55 55 ILE HD12 H 1 0.430 0.030 . 1 . . . . 55 ILE HD1 . 11200 1 647 . 1 1 55 55 ILE HD13 H 1 0.430 0.030 . 1 . . . . 55 ILE HD1 . 11200 1 648 . 1 1 55 55 ILE HG12 H 1 1.366 0.030 . 2 . . . . 55 ILE HG12 . 11200 1 649 . 1 1 55 55 ILE HG13 H 1 1.162 0.030 . 2 . . . . 55 ILE HG13 . 11200 1 650 . 1 1 55 55 ILE HG21 H 1 0.756 0.030 . 1 . . . . 55 ILE HG2 . 11200 1 651 . 1 1 55 55 ILE HG22 H 1 0.756 0.030 . 1 . . . . 55 ILE HG2 . 11200 1 652 . 1 1 55 55 ILE HG23 H 1 0.756 0.030 . 1 . . . . 55 ILE HG2 . 11200 1 653 . 1 1 55 55 ILE C C 13 175.831 0.300 . 1 . . . . 55 ILE C . 11200 1 654 . 1 1 55 55 ILE CA C 13 58.305 0.300 . 1 . . . . 55 ILE CA . 11200 1 655 . 1 1 55 55 ILE CB C 13 36.510 0.300 . 1 . . . . 55 ILE CB . 11200 1 656 . 1 1 55 55 ILE CD1 C 13 11.378 0.300 . 1 . . . . 55 ILE CD1 . 11200 1 657 . 1 1 55 55 ILE CG1 C 13 26.209 0.300 . 1 . . . . 55 ILE CG1 . 11200 1 658 . 1 1 55 55 ILE CG2 C 13 17.112 0.300 . 1 . . . . 55 ILE CG2 . 11200 1 659 . 1 1 55 55 ILE N N 15 125.736 0.300 . 1 . . . . 55 ILE N . 11200 1 660 . 1 1 56 56 VAL H H 1 8.173 0.030 . 1 . . . . 56 VAL H . 11200 1 661 . 1 1 56 56 VAL HA H 1 3.848 0.030 . 1 . . . . 56 VAL HA . 11200 1 662 . 1 1 56 56 VAL HB H 1 1.781 0.030 . 1 . . . . 56 VAL HB . 11200 1 663 . 1 1 56 56 VAL HG11 H 1 0.937 0.030 . 1 . . . . 56 VAL HG1 . 11200 1 664 . 1 1 56 56 VAL HG12 H 1 0.937 0.030 . 1 . . . . 56 VAL HG1 . 11200 1 665 . 1 1 56 56 VAL HG13 H 1 0.937 0.030 . 1 . . . . 56 VAL HG1 . 11200 1 666 . 1 1 56 56 VAL HG21 H 1 0.797 0.030 . 1 . . . . 56 VAL HG2 . 11200 1 667 . 1 1 56 56 VAL HG22 H 1 0.797 0.030 . 1 . . . . 56 VAL HG2 . 11200 1 668 . 1 1 56 56 VAL HG23 H 1 0.797 0.030 . 1 . . . . 56 VAL HG2 . 11200 1 669 . 1 1 56 56 VAL C C 13 176.510 0.300 . 1 . . . . 56 VAL C . 11200 1 670 . 1 1 56 56 VAL CA C 13 62.584 0.300 . 1 . . . . 56 VAL CA . 11200 1 671 . 1 1 56 56 VAL CB C 13 32.748 0.300 . 1 . . . . 56 VAL CB . 11200 1 672 . 1 1 56 56 VAL CG1 C 13 20.688 0.300 . 2 . . . . 56 VAL CG1 . 11200 1 673 . 1 1 56 56 VAL CG2 C 13 20.696 0.300 . 2 . . . . 56 VAL CG2 . 11200 1 674 . 1 1 56 56 VAL N N 15 128.012 0.300 . 1 . . . . 56 VAL N . 11200 1 675 . 1 1 57 57 LYS H H 1 8.826 0.030 . 1 . . . . 57 LYS H . 11200 1 676 . 1 1 57 57 LYS HA H 1 4.082 0.030 . 1 . . . . 57 LYS HA . 11200 1 677 . 1 1 57 57 LYS HB2 H 1 1.817 0.030 . 2 . . . . 57 LYS HB2 . 11200 1 678 . 1 1 57 57 LYS HB3 H 1 1.761 0.030 . 2 . . . . 57 LYS HB3 . 11200 1 679 . 1 1 57 57 LYS HD2 H 1 1.706 0.030 . 1 . . . . 57 LYS HD2 . 11200 1 680 . 1 1 57 57 LYS HD3 H 1 1.706 0.030 . 1 . . . . 57 LYS HD3 . 11200 1 681 . 1 1 57 57 LYS HE2 H 1 3.018 0.030 . 1 . . . . 57 LYS HE2 . 11200 1 682 . 1 1 57 57 LYS HE3 H 1 3.018 0.030 . 1 . . . . 57 LYS HE3 . 11200 1 683 . 1 1 57 57 LYS HG2 H 1 1.545 0.030 . 2 . . . . 57 LYS HG2 . 11200 1 684 . 1 1 57 57 LYS HG3 H 1 1.418 0.030 . 2 . . . . 57 LYS HG3 . 11200 1 685 . 1 1 57 57 LYS C C 13 177.901 0.300 . 1 . . . . 57 LYS C . 11200 1 686 . 1 1 57 57 LYS CA C 13 58.177 0.300 . 1 . . . . 57 LYS CA . 11200 1 687 . 1 1 57 57 LYS CB C 13 31.893 0.300 . 1 . . . . 57 LYS CB . 11200 1 688 . 1 1 57 57 LYS CD C 13 28.986 0.300 . 1 . . . . 57 LYS CD . 11200 1 689 . 1 1 57 57 LYS CE C 13 42.111 0.300 . 1 . . . . 57 LYS CE . 11200 1 690 . 1 1 57 57 LYS CG C 13 24.681 0.300 . 1 . . . . 57 LYS CG . 11200 1 691 . 1 1 57 57 LYS N N 15 130.338 0.300 . 1 . . . . 57 LYS N . 11200 1 692 . 1 1 58 58 GLY H H 1 9.553 0.030 . 1 . . . . 58 GLY H . 11200 1 693 . 1 1 58 58 GLY HA2 H 1 4.245 0.030 . 2 . . . . 58 GLY HA2 . 11200 1 694 . 1 1 58 58 GLY HA3 H 1 3.674 0.030 . 2 . . . . 58 GLY HA3 . 11200 1 695 . 1 1 58 58 GLY C C 13 174.815 0.300 . 1 . . . . 58 GLY C . 11200 1 696 . 1 1 58 58 GLY CA C 13 45.329 0.300 . 1 . . . . 58 GLY CA . 11200 1 697 . 1 1 58 58 GLY N N 15 114.807 0.300 . 1 . . . . 58 GLY N . 11200 1 698 . 1 1 59 59 GLY H H 1 7.453 0.030 . 1 . . . . 59 GLY H . 11200 1 699 . 1 1 59 59 GLY HA2 H 1 4.390 0.030 . 2 . . . . 59 GLY HA2 . 11200 1 700 . 1 1 59 59 GLY HA3 H 1 3.856 0.030 . 2 . . . . 59 GLY HA3 . 11200 1 701 . 1 1 59 59 GLY C C 13 173.689 0.300 . 1 . . . . 59 GLY C . 11200 1 702 . 1 1 59 59 GLY CA C 13 44.580 0.300 . 1 . . . . 59 GLY CA . 11200 1 703 . 1 1 59 59 GLY N N 15 105.792 0.300 . 1 . . . . 59 GLY N . 11200 1 704 . 1 1 60 60 ALA H H 1 8.771 0.030 . 1 . . . . 60 ALA H . 11200 1 705 . 1 1 60 60 ALA HA H 1 4.078 0.030 . 1 . . . . 60 ALA HA . 11200 1 706 . 1 1 60 60 ALA HB1 H 1 1.501 0.030 . 1 . . . . 60 ALA HB . 11200 1 707 . 1 1 60 60 ALA HB2 H 1 1.501 0.030 . 1 . . . . 60 ALA HB . 11200 1 708 . 1 1 60 60 ALA HB3 H 1 1.501 0.030 . 1 . . . . 60 ALA HB . 11200 1 709 . 1 1 60 60 ALA C C 13 181.098 0.300 . 1 . . . . 60 ALA C . 11200 1 710 . 1 1 60 60 ALA CA C 13 54.904 0.300 . 1 . . . . 60 ALA CA . 11200 1 711 . 1 1 60 60 ALA CB C 13 18.628 0.300 . 1 . . . . 60 ALA CB . 11200 1 712 . 1 1 60 60 ALA N N 15 120.061 0.300 . 1 . . . . 60 ALA N . 11200 1 713 . 1 1 61 61 ALA H H 1 8.962 0.030 . 1 . . . . 61 ALA H . 11200 1 714 . 1 1 61 61 ALA HA H 1 3.838 0.030 . 1 . . . . 61 ALA HA . 11200 1 715 . 1 1 61 61 ALA HB1 H 1 1.219 0.030 . 1 . . . . 61 ALA HB . 11200 1 716 . 1 1 61 61 ALA HB2 H 1 1.219 0.030 . 1 . . . . 61 ALA HB . 11200 1 717 . 1 1 61 61 ALA HB3 H 1 1.219 0.030 . 1 . . . . 61 ALA HB . 11200 1 718 . 1 1 61 61 ALA C C 13 180.658 0.300 . 1 . . . . 61 ALA C . 11200 1 719 . 1 1 61 61 ALA CA C 13 55.456 0.300 . 1 . . . . 61 ALA CA . 11200 1 720 . 1 1 61 61 ALA CB C 13 18.301 0.300 . 1 . . . . 61 ALA CB . 11200 1 721 . 1 1 61 61 ALA N N 15 119.885 0.300 . 1 . . . . 61 ALA N . 11200 1 722 . 1 1 62 62 GLU H H 1 9.515 0.030 . 1 . . . . 62 GLU H . 11200 1 723 . 1 1 62 62 GLU HA H 1 3.750 0.030 . 1 . . . . 62 GLU HA . 11200 1 724 . 1 1 62 62 GLU HB2 H 1 2.259 0.030 . 2 . . . . 62 GLU HB2 . 11200 1 725 . 1 1 62 62 GLU HB3 H 1 2.005 0.030 . 2 . . . . 62 GLU HB3 . 11200 1 726 . 1 1 62 62 GLU HG2 H 1 2.262 0.030 . 2 . . . . 62 GLU HG2 . 11200 1 727 . 1 1 62 62 GLU HG3 H 1 2.125 0.030 . 2 . . . . 62 GLU HG3 . 11200 1 728 . 1 1 62 62 GLU C C 13 178.575 0.300 . 1 . . . . 62 GLU C . 11200 1 729 . 1 1 62 62 GLU CA C 13 60.086 0.300 . 1 . . . . 62 GLU CA . 11200 1 730 . 1 1 62 62 GLU CB C 13 29.155 0.300 . 1 . . . . 62 GLU CB . 11200 1 731 . 1 1 62 62 GLU CG C 13 36.479 0.300 . 1 . . . . 62 GLU CG . 11200 1 732 . 1 1 62 62 GLU N N 15 124.836 0.300 . 1 . . . . 62 GLU N . 11200 1 733 . 1 1 63 63 LYS H H 1 8.158 0.030 . 1 . . . . 63 LYS H . 11200 1 734 . 1 1 63 63 LYS HA H 1 3.922 0.030 . 1 . . . . 63 LYS HA . 11200 1 735 . 1 1 63 63 LYS HB2 H 1 1.844 0.030 . 1 . . . . 63 LYS HB2 . 11200 1 736 . 1 1 63 63 LYS HB3 H 1 1.844 0.030 . 1 . . . . 63 LYS HB3 . 11200 1 737 . 1 1 63 63 LYS HD2 H 1 1.625 0.030 . 1 . . . . 63 LYS HD2 . 11200 1 738 . 1 1 63 63 LYS HD3 H 1 1.625 0.030 . 1 . . . . 63 LYS HD3 . 11200 1 739 . 1 1 63 63 LYS HE2 H 1 2.954 0.030 . 1 . . . . 63 LYS HE2 . 11200 1 740 . 1 1 63 63 LYS HE3 H 1 2.954 0.030 . 1 . . . . 63 LYS HE3 . 11200 1 741 . 1 1 63 63 LYS HG2 H 1 1.546 0.030 . 2 . . . . 63 LYS HG2 . 11200 1 742 . 1 1 63 63 LYS HG3 H 1 1.458 0.030 . 2 . . . . 63 LYS HG3 . 11200 1 743 . 1 1 63 63 LYS C C 13 178.620 0.300 . 1 . . . . 63 LYS C . 11200 1 744 . 1 1 63 63 LYS CA C 13 58.969 0.300 . 1 . . . . 63 LYS CA . 11200 1 745 . 1 1 63 63 LYS CB C 13 32.328 0.300 . 1 . . . . 63 LYS CB . 11200 1 746 . 1 1 63 63 LYS CD C 13 29.055 0.300 . 1 . . . . 63 LYS CD . 11200 1 747 . 1 1 63 63 LYS CE C 13 42.038 0.300 . 1 . . . . 63 LYS CE . 11200 1 748 . 1 1 63 63 LYS CG C 13 25.237 0.300 . 1 . . . . 63 LYS CG . 11200 1 749 . 1 1 63 63 LYS N N 15 118.053 0.300 . 1 . . . . 63 LYS N . 11200 1 750 . 1 1 64 64 SER H H 1 7.746 0.030 . 1 . . . . 64 SER H . 11200 1 751 . 1 1 64 64 SER HA H 1 4.220 0.030 . 1 . . . . 64 SER HA . 11200 1 752 . 1 1 64 64 SER HB2 H 1 4.111 0.030 . 2 . . . . 64 SER HB2 . 11200 1 753 . 1 1 64 64 SER HB3 H 1 3.969 0.030 . 2 . . . . 64 SER HB3 . 11200 1 754 . 1 1 64 64 SER C C 13 175.727 0.300 . 1 . . . . 64 SER C . 11200 1 755 . 1 1 64 64 SER CA C 13 60.600 0.300 . 1 . . . . 64 SER CA . 11200 1 756 . 1 1 64 64 SER CB C 13 64.431 0.300 . 1 . . . . 64 SER CB . 11200 1 757 . 1 1 64 64 SER N N 15 111.494 0.300 . 1 . . . . 64 SER N . 11200 1 758 . 1 1 65 65 GLY H H 1 7.373 0.030 . 1 . . . . 65 GLY H . 11200 1 759 . 1 1 65 65 GLY HA2 H 1 4.106 0.030 . 2 . . . . 65 GLY HA2 . 11200 1 760 . 1 1 65 65 GLY HA3 H 1 3.979 0.030 . 2 . . . . 65 GLY HA3 . 11200 1 761 . 1 1 65 65 GLY C C 13 174.976 0.300 . 1 . . . . 65 GLY C . 11200 1 762 . 1 1 65 65 GLY CA C 13 46.544 0.300 . 1 . . . . 65 GLY CA . 11200 1 763 . 1 1 65 65 GLY N N 15 108.608 0.300 . 1 . . . . 65 GLY N . 11200 1 764 . 1 1 66 66 LEU H H 1 7.742 0.030 . 1 . . . . 66 LEU H . 11200 1 765 . 1 1 66 66 LEU HA H 1 4.412 0.030 . 1 . . . . 66 LEU HA . 11200 1 766 . 1 1 66 66 LEU HB2 H 1 1.500 0.030 . 2 . . . . 66 LEU HB2 . 11200 1 767 . 1 1 66 66 LEU HB3 H 1 1.272 0.030 . 2 . . . . 66 LEU HB3 . 11200 1 768 . 1 1 66 66 LEU HD11 H 1 1.616 0.030 . 1 . . . . 66 LEU HD1 . 11200 1 769 . 1 1 66 66 LEU HD12 H 1 1.616 0.030 . 1 . . . . 66 LEU HD1 . 11200 1 770 . 1 1 66 66 LEU HD13 H 1 1.616 0.030 . 1 . . . . 66 LEU HD1 . 11200 1 771 . 1 1 66 66 LEU HD21 H 1 0.876 0.030 . 1 . . . . 66 LEU HD2 . 11200 1 772 . 1 1 66 66 LEU HD22 H 1 0.876 0.030 . 1 . . . . 66 LEU HD2 . 11200 1 773 . 1 1 66 66 LEU HD23 H 1 0.876 0.030 . 1 . . . . 66 LEU HD2 . 11200 1 774 . 1 1 66 66 LEU HG H 1 0.982 0.030 . 1 . . . . 66 LEU HG . 11200 1 775 . 1 1 66 66 LEU C C 13 175.624 0.300 . 1 . . . . 66 LEU C . 11200 1 776 . 1 1 66 66 LEU CA C 13 55.168 0.300 . 1 . . . . 66 LEU CA . 11200 1 777 . 1 1 66 66 LEU CB C 13 44.254 0.300 . 1 . . . . 66 LEU CB . 11200 1 778 . 1 1 66 66 LEU CD1 C 13 26.074 0.300 . 2 . . . . 66 LEU CD1 . 11200 1 779 . 1 1 66 66 LEU CD2 C 13 22.341 0.300 . 2 . . . . 66 LEU CD2 . 11200 1 780 . 1 1 66 66 LEU CG C 13 26.555 0.300 . 1 . . . . 66 LEU CG . 11200 1 781 . 1 1 66 66 LEU N N 15 116.773 0.300 . 1 . . . . 66 LEU N . 11200 1 782 . 1 1 67 67 LEU H H 1 6.885 0.030 . 1 . . . . 67 LEU H . 11200 1 783 . 1 1 67 67 LEU HA H 1 4.345 0.030 . 1 . . . . 67 LEU HA . 11200 1 784 . 1 1 67 67 LEU HB2 H 1 1.019 0.030 . 2 . . . . 67 LEU HB2 . 11200 1 785 . 1 1 67 67 LEU HB3 H 1 0.917 0.030 . 2 . . . . 67 LEU HB3 . 11200 1 786 . 1 1 67 67 LEU HD11 H 1 0.201 0.030 . 1 . . . . 67 LEU HD1 . 11200 1 787 . 1 1 67 67 LEU HD12 H 1 0.201 0.030 . 1 . . . . 67 LEU HD1 . 11200 1 788 . 1 1 67 67 LEU HD13 H 1 0.201 0.030 . 1 . . . . 67 LEU HD1 . 11200 1 789 . 1 1 67 67 LEU HD21 H 1 0.166 0.030 . 1 . . . . 67 LEU HD2 . 11200 1 790 . 1 1 67 67 LEU HD22 H 1 0.166 0.030 . 1 . . . . 67 LEU HD2 . 11200 1 791 . 1 1 67 67 LEU HD23 H 1 0.166 0.030 . 1 . . . . 67 LEU HD2 . 11200 1 792 . 1 1 67 67 LEU HG H 1 1.076 0.030 . 1 . . . . 67 LEU HG . 11200 1 793 . 1 1 67 67 LEU C C 13 174.264 0.300 . 1 . . . . 67 LEU C . 11200 1 794 . 1 1 67 67 LEU CA C 13 53.170 0.300 . 1 . . . . 67 LEU CA . 11200 1 795 . 1 1 67 67 LEU CB C 13 45.811 0.300 . 1 . . . . 67 LEU CB . 11200 1 796 . 1 1 67 67 LEU CD1 C 13 24.775 0.300 . 2 . . . . 67 LEU CD1 . 11200 1 797 . 1 1 67 67 LEU CD2 C 13 23.819 0.300 . 2 . . . . 67 LEU CD2 . 11200 1 798 . 1 1 67 67 LEU CG C 13 26.563 0.300 . 1 . . . . 67 LEU CG . 11200 1 799 . 1 1 67 67 LEU N N 15 117.253 0.300 . 1 . . . . 67 LEU N . 11200 1 800 . 1 1 68 68 HIS H H 1 8.876 0.030 . 1 . . . . 68 HIS H . 11200 1 801 . 1 1 68 68 HIS HA H 1 4.712 0.030 . 1 . . . . 68 HIS HA . 11200 1 802 . 1 1 68 68 HIS HB2 H 1 3.191 0.030 . 2 . . . . 68 HIS HB2 . 11200 1 803 . 1 1 68 68 HIS HB3 H 1 2.980 0.030 . 2 . . . . 68 HIS HB3 . 11200 1 804 . 1 1 68 68 HIS HD2 H 1 7.304 0.030 . 1 . . . . 68 HIS HD2 . 11200 1 805 . 1 1 68 68 HIS HE1 H 1 8.364 0.030 . 1 . . . . 68 HIS HE1 . 11200 1 806 . 1 1 68 68 HIS C C 13 173.411 0.300 . 1 . . . . 68 HIS C . 11200 1 807 . 1 1 68 68 HIS CA C 13 54.576 0.300 . 1 . . . . 68 HIS CA . 11200 1 808 . 1 1 68 68 HIS CB C 13 31.651 0.300 . 1 . . . . 68 HIS CB . 11200 1 809 . 1 1 68 68 HIS CD2 C 13 120.234 0.300 . 1 . . . . 68 HIS CD2 . 11200 1 810 . 1 1 68 68 HIS CE1 C 13 135.471 0.300 . 1 . . . . 68 HIS CE1 . 11200 1 811 . 1 1 68 68 HIS N N 15 119.744 0.300 . 1 . . . . 68 HIS N . 11200 1 812 . 1 1 69 69 GLU H H 1 9.023 0.030 . 1 . . . . 69 GLU H . 11200 1 813 . 1 1 69 69 GLU HA H 1 3.580 0.030 . 1 . . . . 69 GLU HA . 11200 1 814 . 1 1 69 69 GLU HB2 H 1 1.864 0.030 . 1 . . . . 69 GLU HB2 . 11200 1 815 . 1 1 69 69 GLU HB3 H 1 1.864 0.030 . 1 . . . . 69 GLU HB3 . 11200 1 816 . 1 1 69 69 GLU HG2 H 1 2.266 0.030 . 2 . . . . 69 GLU HG2 . 11200 1 817 . 1 1 69 69 GLU HG3 H 1 2.091 0.030 . 2 . . . . 69 GLU HG3 . 11200 1 818 . 1 1 69 69 GLU C C 13 177.079 0.300 . 1 . . . . 69 GLU C . 11200 1 819 . 1 1 69 69 GLU CA C 13 58.495 0.300 . 1 . . . . 69 GLU CA . 11200 1 820 . 1 1 69 69 GLU CB C 13 28.711 0.300 . 1 . . . . 69 GLU CB . 11200 1 821 . 1 1 69 69 GLU CG C 13 37.018 0.300 . 1 . . . . 69 GLU CG . 11200 1 822 . 1 1 69 69 GLU N N 15 121.746 0.300 . 1 . . . . 69 GLU N . 11200 1 823 . 1 1 70 70 GLY H H 1 9.239 0.030 . 1 . . . . 70 GLY H . 11200 1 824 . 1 1 70 70 GLY HA2 H 1 4.495 0.030 . 2 . . . . 70 GLY HA2 . 11200 1 825 . 1 1 70 70 GLY HA3 H 1 3.423 0.030 . 2 . . . . 70 GLY HA3 . 11200 1 826 . 1 1 70 70 GLY C C 13 174.569 0.300 . 1 . . . . 70 GLY C . 11200 1 827 . 1 1 70 70 GLY CA C 13 44.824 0.300 . 1 . . . . 70 GLY CA . 11200 1 828 . 1 1 70 70 GLY N N 15 112.562 0.300 . 1 . . . . 70 GLY N . 11200 1 829 . 1 1 71 71 ASP H H 1 8.051 0.030 . 1 . . . . 71 ASP H . 11200 1 830 . 1 1 71 71 ASP HA H 1 4.553 0.030 . 1 . . . . 71 ASP HA . 11200 1 831 . 1 1 71 71 ASP HB2 H 1 2.800 0.030 . 2 . . . . 71 ASP HB2 . 11200 1 832 . 1 1 71 71 ASP HB3 H 1 2.285 0.030 . 2 . . . . 71 ASP HB3 . 11200 1 833 . 1 1 71 71 ASP C C 13 174.673 0.300 . 1 . . . . 71 ASP C . 11200 1 834 . 1 1 71 71 ASP CA C 13 55.778 0.300 . 1 . . . . 71 ASP CA . 11200 1 835 . 1 1 71 71 ASP CB C 13 41.397 0.300 . 1 . . . . 71 ASP CB . 11200 1 836 . 1 1 71 71 ASP N N 15 123.283 0.300 . 1 . . . . 71 ASP N . 11200 1 837 . 1 1 72 72 GLU H H 1 8.639 0.030 . 1 . . . . 72 GLU H . 11200 1 838 . 1 1 72 72 GLU HA H 1 5.035 0.030 . 1 . . . . 72 GLU HA . 11200 1 839 . 1 1 72 72 GLU HB2 H 1 2.015 0.030 . 2 . . . . 72 GLU HB2 . 11200 1 840 . 1 1 72 72 GLU HB3 H 1 1.870 0.030 . 2 . . . . 72 GLU HB3 . 11200 1 841 . 1 1 72 72 GLU HG2 H 1 2.510 0.030 . 2 . . . . 72 GLU HG2 . 11200 1 842 . 1 1 72 72 GLU HG3 H 1 1.900 0.030 . 2 . . . . 72 GLU HG3 . 11200 1 843 . 1 1 72 72 GLU C C 13 175.824 0.300 . 1 . . . . 72 GLU C . 11200 1 844 . 1 1 72 72 GLU CA C 13 54.388 0.300 . 1 . . . . 72 GLU CA . 11200 1 845 . 1 1 72 72 GLU CB C 13 30.621 0.300 . 1 . . . . 72 GLU CB . 11200 1 846 . 1 1 72 72 GLU CG C 13 35.916 0.300 . 1 . . . . 72 GLU CG . 11200 1 847 . 1 1 72 72 GLU N N 15 122.845 0.300 . 1 . . . . 72 GLU N . 11200 1 848 . 1 1 73 73 VAL H H 1 8.952 0.030 . 1 . . . . 73 VAL H . 11200 1 849 . 1 1 73 73 VAL HA H 1 4.124 0.030 . 1 . . . . 73 VAL HA . 11200 1 850 . 1 1 73 73 VAL HB H 1 1.929 0.030 . 1 . . . . 73 VAL HB . 11200 1 851 . 1 1 73 73 VAL HG11 H 1 0.866 0.030 . 1 . . . . 73 VAL HG1 . 11200 1 852 . 1 1 73 73 VAL HG12 H 1 0.866 0.030 . 1 . . . . 73 VAL HG1 . 11200 1 853 . 1 1 73 73 VAL HG13 H 1 0.866 0.030 . 1 . . . . 73 VAL HG1 . 11200 1 854 . 1 1 73 73 VAL HG21 H 1 0.822 0.030 . 1 . . . . 73 VAL HG2 . 11200 1 855 . 1 1 73 73 VAL HG22 H 1 0.822 0.030 . 1 . . . . 73 VAL HG2 . 11200 1 856 . 1 1 73 73 VAL HG23 H 1 0.822 0.030 . 1 . . . . 73 VAL HG2 . 11200 1 857 . 1 1 73 73 VAL C C 13 174.543 0.300 . 1 . . . . 73 VAL C . 11200 1 858 . 1 1 73 73 VAL CA C 13 62.260 0.300 . 1 . . . . 73 VAL CA . 11200 1 859 . 1 1 73 73 VAL CB C 13 32.350 0.300 . 1 . . . . 73 VAL CB . 11200 1 860 . 1 1 73 73 VAL CG1 C 13 22.945 0.300 . 2 . . . . 73 VAL CG1 . 11200 1 861 . 1 1 73 73 VAL CG2 C 13 20.659 0.300 . 2 . . . . 73 VAL CG2 . 11200 1 862 . 1 1 73 73 VAL N N 15 126.611 0.300 . 1 . . . . 73 VAL N . 11200 1 863 . 1 1 74 74 LEU H H 1 9.141 0.030 . 1 . . . . 74 LEU H . 11200 1 864 . 1 1 74 74 LEU HA H 1 4.538 0.030 . 1 . . . . 74 LEU HA . 11200 1 865 . 1 1 74 74 LEU HB2 H 1 1.329 0.030 . 1 . . . . 74 LEU HB2 . 11200 1 866 . 1 1 74 74 LEU HB3 H 1 1.329 0.030 . 1 . . . . 74 LEU HB3 . 11200 1 867 . 1 1 74 74 LEU HD11 H 1 0.528 0.030 . 1 . . . . 74 LEU HD1 . 11200 1 868 . 1 1 74 74 LEU HD12 H 1 0.528 0.030 . 1 . . . . 74 LEU HD1 . 11200 1 869 . 1 1 74 74 LEU HD13 H 1 0.528 0.030 . 1 . . . . 74 LEU HD1 . 11200 1 870 . 1 1 74 74 LEU HD21 H 1 0.669 0.030 . 1 . . . . 74 LEU HD2 . 11200 1 871 . 1 1 74 74 LEU HD22 H 1 0.669 0.030 . 1 . . . . 74 LEU HD2 . 11200 1 872 . 1 1 74 74 LEU HD23 H 1 0.669 0.030 . 1 . . . . 74 LEU HD2 . 11200 1 873 . 1 1 74 74 LEU HG H 1 1.433 0.030 . 1 . . . . 74 LEU HG . 11200 1 874 . 1 1 74 74 LEU C C 13 178.561 0.300 . 1 . . . . 74 LEU C . 11200 1 875 . 1 1 74 74 LEU CA C 13 56.020 0.300 . 1 . . . . 74 LEU CA . 11200 1 876 . 1 1 74 74 LEU CB C 13 43.192 0.300 . 1 . . . . 74 LEU CB . 11200 1 877 . 1 1 74 74 LEU CD1 C 13 25.098 0.300 . 2 . . . . 74 LEU CD1 . 11200 1 878 . 1 1 74 74 LEU CD2 C 13 22.876 0.300 . 2 . . . . 74 LEU CD2 . 11200 1 879 . 1 1 74 74 LEU CG C 13 27.319 0.300 . 1 . . . . 74 LEU CG . 11200 1 880 . 1 1 74 74 LEU N N 15 125.804 0.300 . 1 . . . . 74 LEU N . 11200 1 881 . 1 1 75 75 GLU H H 1 7.668 0.030 . 1 . . . . 75 GLU H . 11200 1 882 . 1 1 75 75 GLU HA H 1 5.263 0.030 . 1 . . . . 75 GLU HA . 11200 1 883 . 1 1 75 75 GLU HB2 H 1 1.856 0.030 . 2 . . . . 75 GLU HB2 . 11200 1 884 . 1 1 75 75 GLU HB3 H 1 1.715 0.030 . 2 . . . . 75 GLU HB3 . 11200 1 885 . 1 1 75 75 GLU HG2 H 1 1.958 0.030 . 1 . . . . 75 GLU HG2 . 11200 1 886 . 1 1 75 75 GLU HG3 H 1 1.958 0.030 . 1 . . . . 75 GLU HG3 . 11200 1 887 . 1 1 75 75 GLU C C 13 174.575 0.300 . 1 . . . . 75 GLU C . 11200 1 888 . 1 1 75 75 GLU CA C 13 55.040 0.300 . 1 . . . . 75 GLU CA . 11200 1 889 . 1 1 75 75 GLU CB C 13 34.910 0.300 . 1 . . . . 75 GLU CB . 11200 1 890 . 1 1 75 75 GLU CG C 13 36.415 0.300 . 1 . . . . 75 GLU CG . 11200 1 891 . 1 1 75 75 GLU N N 15 117.996 0.300 . 1 . . . . 75 GLU N . 11200 1 892 . 1 1 76 76 ILE H H 1 8.120 0.030 . 1 . . . . 76 ILE H . 11200 1 893 . 1 1 76 76 ILE HA H 1 4.597 0.030 . 1 . . . . 76 ILE HA . 11200 1 894 . 1 1 76 76 ILE HB H 1 1.188 0.030 . 1 . . . . 76 ILE HB . 11200 1 895 . 1 1 76 76 ILE HD11 H 1 0.451 0.030 . 1 . . . . 76 ILE HD1 . 11200 1 896 . 1 1 76 76 ILE HD12 H 1 0.451 0.030 . 1 . . . . 76 ILE HD1 . 11200 1 897 . 1 1 76 76 ILE HD13 H 1 0.451 0.030 . 1 . . . . 76 ILE HD1 . 11200 1 898 . 1 1 76 76 ILE HG12 H 1 1.093 0.030 . 2 . . . . 76 ILE HG12 . 11200 1 899 . 1 1 76 76 ILE HG13 H 1 0.231 0.030 . 2 . . . . 76 ILE HG13 . 11200 1 900 . 1 1 76 76 ILE HG21 H 1 0.224 0.030 . 1 . . . . 76 ILE HG2 . 11200 1 901 . 1 1 76 76 ILE HG22 H 1 0.224 0.030 . 1 . . . . 76 ILE HG2 . 11200 1 902 . 1 1 76 76 ILE HG23 H 1 0.224 0.030 . 1 . . . . 76 ILE HG2 . 11200 1 903 . 1 1 76 76 ILE C C 13 175.177 0.300 . 1 . . . . 76 ILE C . 11200 1 904 . 1 1 76 76 ILE CA C 13 59.977 0.300 . 1 . . . . 76 ILE CA . 11200 1 905 . 1 1 76 76 ILE CB C 13 41.613 0.300 . 1 . . . . 76 ILE CB . 11200 1 906 . 1 1 76 76 ILE CD1 C 13 14.315 0.300 . 1 . . . . 76 ILE CD1 . 11200 1 907 . 1 1 76 76 ILE CG1 C 13 26.873 0.300 . 1 . . . . 76 ILE CG1 . 11200 1 908 . 1 1 76 76 ILE CG2 C 13 17.158 0.300 . 1 . . . . 76 ILE CG2 . 11200 1 909 . 1 1 76 76 ILE N N 15 120.739 0.300 . 1 . . . . 76 ILE N . 11200 1 910 . 1 1 77 77 ASN H H 1 9.286 0.030 . 1 . . . . 77 ASN H . 11200 1 911 . 1 1 77 77 ASN HA H 1 4.295 0.030 . 1 . . . . 77 ASN HA . 11200 1 912 . 1 1 77 77 ASN HB2 H 1 3.197 0.030 . 2 . . . . 77 ASN HB2 . 11200 1 913 . 1 1 77 77 ASN HB3 H 1 2.673 0.030 . 2 . . . . 77 ASN HB3 . 11200 1 914 . 1 1 77 77 ASN HD21 H 1 6.538 0.030 . 2 . . . . 77 ASN HD21 . 11200 1 915 . 1 1 77 77 ASN HD22 H 1 7.481 0.030 . 2 . . . . 77 ASN HD22 . 11200 1 916 . 1 1 77 77 ASN C C 13 174.925 0.300 . 1 . . . . 77 ASN C . 11200 1 917 . 1 1 77 77 ASN CA C 13 53.837 0.300 . 1 . . . . 77 ASN CA . 11200 1 918 . 1 1 77 77 ASN CB C 13 36.225 0.300 . 1 . . . . 77 ASN CB . 11200 1 919 . 1 1 77 77 ASN N N 15 126.334 0.300 . 1 . . . . 77 ASN N . 11200 1 920 . 1 1 77 77 ASN ND2 N 15 108.906 0.300 . 1 . . . . 77 ASN ND2 . 11200 1 921 . 1 1 78 78 GLY H H 1 8.615 0.030 . 1 . . . . 78 GLY H . 11200 1 922 . 1 1 78 78 GLY HA2 H 1 4.008 0.030 . 2 . . . . 78 GLY HA2 . 11200 1 923 . 1 1 78 78 GLY HA3 H 1 3.654 0.030 . 2 . . . . 78 GLY HA3 . 11200 1 924 . 1 1 78 78 GLY C C 13 173.553 0.300 . 1 . . . . 78 GLY C . 11200 1 925 . 1 1 78 78 GLY CA C 13 45.550 0.300 . 1 . . . . 78 GLY CA . 11200 1 926 . 1 1 78 78 GLY N N 15 102.703 0.300 . 1 . . . . 78 GLY N . 11200 1 927 . 1 1 79 79 ILE H H 1 8.137 0.030 . 1 . . . . 79 ILE H . 11200 1 928 . 1 1 79 79 ILE HA H 1 4.036 0.030 . 1 . . . . 79 ILE HA . 11200 1 929 . 1 1 79 79 ILE HB H 1 2.059 0.030 . 1 . . . . 79 ILE HB . 11200 1 930 . 1 1 79 79 ILE HD11 H 1 0.797 0.030 . 1 . . . . 79 ILE HD1 . 11200 1 931 . 1 1 79 79 ILE HD12 H 1 0.797 0.030 . 1 . . . . 79 ILE HD1 . 11200 1 932 . 1 1 79 79 ILE HD13 H 1 0.797 0.030 . 1 . . . . 79 ILE HD1 . 11200 1 933 . 1 1 79 79 ILE HG12 H 1 1.478 0.030 . 2 . . . . 79 ILE HG12 . 11200 1 934 . 1 1 79 79 ILE HG13 H 1 1.055 0.030 . 2 . . . . 79 ILE HG13 . 11200 1 935 . 1 1 79 79 ILE HG21 H 1 0.770 0.030 . 1 . . . . 79 ILE HG2 . 11200 1 936 . 1 1 79 79 ILE HG22 H 1 0.770 0.030 . 1 . . . . 79 ILE HG2 . 11200 1 937 . 1 1 79 79 ILE HG23 H 1 0.770 0.030 . 1 . . . . 79 ILE HG2 . 11200 1 938 . 1 1 79 79 ILE C C 13 175.637 0.300 . 1 . . . . 79 ILE C . 11200 1 939 . 1 1 79 79 ILE CA C 13 60.076 0.300 . 1 . . . . 79 ILE CA . 11200 1 940 . 1 1 79 79 ILE CB C 13 38.115 0.300 . 1 . . . . 79 ILE CB . 11200 1 941 . 1 1 79 79 ILE CD1 C 13 12.865 0.300 . 1 . . . . 79 ILE CD1 . 11200 1 942 . 1 1 79 79 ILE CG1 C 13 27.085 0.300 . 1 . . . . 79 ILE CG1 . 11200 1 943 . 1 1 79 79 ILE CG2 C 13 17.044 0.300 . 1 . . . . 79 ILE CG2 . 11200 1 944 . 1 1 79 79 ILE N N 15 123.198 0.300 . 1 . . . . 79 ILE N . 11200 1 945 . 1 1 80 80 GLU H H 1 8.684 0.030 . 1 . . . . 80 GLU H . 11200 1 946 . 1 1 80 80 GLU HA H 1 4.277 0.030 . 1 . . . . 80 GLU HA . 11200 1 947 . 1 1 80 80 GLU HB2 H 1 2.183 0.030 . 2 . . . . 80 GLU HB2 . 11200 1 948 . 1 1 80 80 GLU HB3 H 1 2.045 0.030 . 2 . . . . 80 GLU HB3 . 11200 1 949 . 1 1 80 80 GLU HG2 H 1 2.414 0.030 . 1 . . . . 80 GLU HG2 . 11200 1 950 . 1 1 80 80 GLU HG3 H 1 2.414 0.030 . 1 . . . . 80 GLU HG3 . 11200 1 951 . 1 1 80 80 GLU C C 13 176.264 0.300 . 1 . . . . 80 GLU C . 11200 1 952 . 1 1 80 80 GLU CA C 13 57.736 0.300 . 1 . . . . 80 GLU CA . 11200 1 953 . 1 1 80 80 GLU CB C 13 30.065 0.300 . 1 . . . . 80 GLU CB . 11200 1 954 . 1 1 80 80 GLU CG C 13 36.719 0.300 . 1 . . . . 80 GLU CG . 11200 1 955 . 1 1 80 80 GLU N N 15 127.929 0.300 . 1 . . . . 80 GLU N . 11200 1 956 . 1 1 81 81 ILE H H 1 8.177 0.030 . 1 . . . . 81 ILE H . 11200 1 957 . 1 1 81 81 ILE HA H 1 4.102 0.030 . 1 . . . . 81 ILE HA . 11200 1 958 . 1 1 81 81 ILE HB H 1 1.765 0.030 . 1 . . . . 81 ILE HB . 11200 1 959 . 1 1 81 81 ILE HD11 H 1 0.550 0.030 . 1 . . . . 81 ILE HD1 . 11200 1 960 . 1 1 81 81 ILE HD12 H 1 0.550 0.030 . 1 . . . . 81 ILE HD1 . 11200 1 961 . 1 1 81 81 ILE HD13 H 1 0.550 0.030 . 1 . . . . 81 ILE HD1 . 11200 1 962 . 1 1 81 81 ILE HG12 H 1 1.443 0.030 . 2 . . . . 81 ILE HG12 . 11200 1 963 . 1 1 81 81 ILE HG13 H 1 1.044 0.030 . 2 . . . . 81 ILE HG13 . 11200 1 964 . 1 1 81 81 ILE HG21 H 1 0.776 0.030 . 1 . . . . 81 ILE HG2 . 11200 1 965 . 1 1 81 81 ILE HG22 H 1 0.776 0.030 . 1 . . . . 81 ILE HG2 . 11200 1 966 . 1 1 81 81 ILE HG23 H 1 0.776 0.030 . 1 . . . . 81 ILE HG2 . 11200 1 967 . 1 1 81 81 ILE C C 13 174.886 0.300 . 1 . . . . 81 ILE C . 11200 1 968 . 1 1 81 81 ILE CA C 13 59.328 0.300 . 1 . . . . 81 ILE CA . 11200 1 969 . 1 1 81 81 ILE CB C 13 37.672 0.300 . 1 . . . . 81 ILE CB . 11200 1 970 . 1 1 81 81 ILE CD1 C 13 10.795 0.300 . 1 . . . . 81 ILE CD1 . 11200 1 971 . 1 1 81 81 ILE CG1 C 13 26.851 0.300 . 1 . . . . 81 ILE CG1 . 11200 1 972 . 1 1 81 81 ILE CG2 C 13 18.466 0.300 . 1 . . . . 81 ILE CG2 . 11200 1 973 . 1 1 81 81 ILE N N 15 123.673 0.300 . 1 . . . . 81 ILE N . 11200 1 974 . 1 1 82 82 ARG H H 1 7.488 0.030 . 1 . . . . 82 ARG H . 11200 1 975 . 1 1 82 82 ARG HA H 1 4.342 0.030 . 1 . . . . 82 ARG HA . 11200 1 976 . 1 1 82 82 ARG HB2 H 1 1.933 0.030 . 2 . . . . 82 ARG HB2 . 11200 1 977 . 1 1 82 82 ARG HB3 H 1 1.830 0.030 . 2 . . . . 82 ARG HB3 . 11200 1 978 . 1 1 82 82 ARG HD2 H 1 3.163 0.030 . 1 . . . . 82 ARG HD2 . 11200 1 979 . 1 1 82 82 ARG HD3 H 1 3.163 0.030 . 1 . . . . 82 ARG HD3 . 11200 1 980 . 1 1 82 82 ARG HE H 1 7.252 0.030 . 1 . . . . 82 ARG HE . 11200 1 981 . 1 1 82 82 ARG HG2 H 1 1.816 0.030 . 2 . . . . 82 ARG HG2 . 11200 1 982 . 1 1 82 82 ARG HG3 H 1 1.683 0.030 . 2 . . . . 82 ARG HG3 . 11200 1 983 . 1 1 82 82 ARG C C 13 177.953 0.300 . 1 . . . . 82 ARG C . 11200 1 984 . 1 1 82 82 ARG CA C 13 58.866 0.300 . 1 . . . . 82 ARG CA . 11200 1 985 . 1 1 82 82 ARG CB C 13 30.583 0.300 . 1 . . . . 82 ARG CB . 11200 1 986 . 1 1 82 82 ARG CD C 13 43.913 0.300 . 1 . . . . 82 ARG CD . 11200 1 987 . 1 1 82 82 ARG CG C 13 27.509 0.300 . 1 . . . . 82 ARG CG . 11200 1 988 . 1 1 82 82 ARG N N 15 120.488 0.300 . 1 . . . . 82 ARG N . 11200 1 989 . 1 1 82 82 ARG NE N 15 117.679 0.300 . 1 . . . . 82 ARG NE . 11200 1 990 . 1 1 83 83 GLY H H 1 8.961 0.030 . 1 . . . . 83 GLY H . 11200 1 991 . 1 1 83 83 GLY HA2 H 1 4.277 0.030 . 2 . . . . 83 GLY HA2 . 11200 1 992 . 1 1 83 83 GLY HA3 H 1 3.629 0.030 . 2 . . . . 83 GLY HA3 . 11200 1 993 . 1 1 83 83 GLY C C 13 174.666 0.300 . 1 . . . . 83 GLY C . 11200 1 994 . 1 1 83 83 GLY CA C 13 45.289 0.300 . 1 . . . . 83 GLY CA . 11200 1 995 . 1 1 83 83 GLY N N 15 114.013 0.300 . 1 . . . . 83 GLY N . 11200 1 996 . 1 1 84 84 LYS H H 1 8.035 0.030 . 1 . . . . 84 LYS H . 11200 1 997 . 1 1 84 84 LYS HA H 1 4.402 0.030 . 1 . . . . 84 LYS HA . 11200 1 998 . 1 1 84 84 LYS HB2 H 1 1.875 0.030 . 2 . . . . 84 LYS HB2 . 11200 1 999 . 1 1 84 84 LYS HB3 H 1 1.610 0.030 . 2 . . . . 84 LYS HB3 . 11200 1 1000 . 1 1 84 84 LYS HD2 H 1 1.522 0.030 . 2 . . . . 84 LYS HD2 . 11200 1 1001 . 1 1 84 84 LYS HD3 H 1 1.471 0.030 . 2 . . . . 84 LYS HD3 . 11200 1 1002 . 1 1 84 84 LYS HE2 H 1 3.020 0.030 . 2 . . . . 84 LYS HE2 . 11200 1 1003 . 1 1 84 84 LYS HE3 H 1 2.903 0.030 . 2 . . . . 84 LYS HE3 . 11200 1 1004 . 1 1 84 84 LYS HG2 H 1 1.344 0.030 . 1 . . . . 84 LYS HG2 . 11200 1 1005 . 1 1 84 84 LYS HG3 H 1 1.344 0.030 . 1 . . . . 84 LYS HG3 . 11200 1 1006 . 1 1 84 84 LYS C C 13 175.721 0.300 . 1 . . . . 84 LYS C . 11200 1 1007 . 1 1 84 84 LYS CA C 13 55.901 0.300 . 1 . . . . 84 LYS CA . 11200 1 1008 . 1 1 84 84 LYS CB C 13 34.135 0.300 . 1 . . . . 84 LYS CB . 11200 1 1009 . 1 1 84 84 LYS CD C 13 29.293 0.300 . 1 . . . . 84 LYS CD . 11200 1 1010 . 1 1 84 84 LYS CE C 13 42.247 0.300 . 1 . . . . 84 LYS CE . 11200 1 1011 . 1 1 84 84 LYS CG C 13 26.070 0.300 . 1 . . . . 84 LYS CG . 11200 1 1012 . 1 1 84 84 LYS N N 15 120.496 0.300 . 1 . . . . 84 LYS N . 11200 1 1013 . 1 1 85 85 ASP H H 1 8.723 0.030 . 1 . . . . 85 ASP H . 11200 1 1014 . 1 1 85 85 ASP HA H 1 4.801 0.030 . 1 . . . . 85 ASP HA . 11200 1 1015 . 1 1 85 85 ASP HB2 H 1 2.854 0.030 . 2 . . . . 85 ASP HB2 . 11200 1 1016 . 1 1 85 85 ASP HB3 H 1 2.710 0.030 . 2 . . . . 85 ASP HB3 . 11200 1 1017 . 1 1 85 85 ASP C C 13 178.296 0.300 . 1 . . . . 85 ASP C . 11200 1 1018 . 1 1 85 85 ASP CA C 13 53.216 0.300 . 1 . . . . 85 ASP CA . 11200 1 1019 . 1 1 85 85 ASP CB C 13 42.952 0.300 . 1 . . . . 85 ASP CB . 11200 1 1020 . 1 1 85 85 ASP N N 15 121.156 0.300 . 1 . . . . 85 ASP N . 11200 1 1021 . 1 1 86 86 VAL H H 1 8.253 0.030 . 1 . . . . 86 VAL H . 11200 1 1022 . 1 1 86 86 VAL HA H 1 3.515 0.030 . 1 . . . . 86 VAL HA . 11200 1 1023 . 1 1 86 86 VAL HB H 1 2.020 0.030 . 1 . . . . 86 VAL HB . 11200 1 1024 . 1 1 86 86 VAL HG11 H 1 0.876 0.030 . 1 . . . . 86 VAL HG1 . 11200 1 1025 . 1 1 86 86 VAL HG12 H 1 0.876 0.030 . 1 . . . . 86 VAL HG1 . 11200 1 1026 . 1 1 86 86 VAL HG13 H 1 0.876 0.030 . 1 . . . . 86 VAL HG1 . 11200 1 1027 . 1 1 86 86 VAL HG21 H 1 0.968 0.030 . 1 . . . . 86 VAL HG2 . 11200 1 1028 . 1 1 86 86 VAL HG22 H 1 0.968 0.030 . 1 . . . . 86 VAL HG2 . 11200 1 1029 . 1 1 86 86 VAL HG23 H 1 0.968 0.030 . 1 . . . . 86 VAL HG2 . 11200 1 1030 . 1 1 86 86 VAL C C 13 176.957 0.300 . 1 . . . . 86 VAL C . 11200 1 1031 . 1 1 86 86 VAL CA C 13 66.072 0.300 . 1 . . . . 86 VAL CA . 11200 1 1032 . 1 1 86 86 VAL CB C 13 31.438 0.300 . 1 . . . . 86 VAL CB . 11200 1 1033 . 1 1 86 86 VAL CG1 C 13 22.178 0.300 . 2 . . . . 86 VAL CG1 . 11200 1 1034 . 1 1 86 86 VAL CG2 C 13 20.099 0.300 . 2 . . . . 86 VAL CG2 . 11200 1 1035 . 1 1 86 86 VAL N N 15 119.647 0.300 . 1 . . . . 86 VAL N . 11200 1 1036 . 1 1 87 87 ASN H H 1 8.683 0.030 . 1 . . . . 87 ASN H . 11200 1 1037 . 1 1 87 87 ASN HA H 1 4.529 0.030 . 1 . . . . 87 ASN HA . 11200 1 1038 . 1 1 87 87 ASN HB2 H 1 2.897 0.030 . 2 . . . . 87 ASN HB2 . 11200 1 1039 . 1 1 87 87 ASN HB3 H 1 2.837 0.030 . 2 . . . . 87 ASN HB3 . 11200 1 1040 . 1 1 87 87 ASN HD21 H 1 6.981 0.030 . 2 . . . . 87 ASN HD21 . 11200 1 1041 . 1 1 87 87 ASN HD22 H 1 7.942 0.030 . 2 . . . . 87 ASN HD22 . 11200 1 1042 . 1 1 87 87 ASN C C 13 177.707 0.300 . 1 . . . . 87 ASN C . 11200 1 1043 . 1 1 87 87 ASN CA C 13 56.850 0.300 . 1 . . . . 87 ASN CA . 11200 1 1044 . 1 1 87 87 ASN CB C 13 37.841 0.300 . 1 . . . . 87 ASN CB . 11200 1 1045 . 1 1 87 87 ASN N N 15 119.774 0.300 . 1 . . . . 87 ASN N . 11200 1 1046 . 1 1 87 87 ASN ND2 N 15 114.561 0.300 . 1 . . . . 87 ASN ND2 . 11200 1 1047 . 1 1 88 88 GLU H H 1 7.793 0.030 . 1 . . . . 88 GLU H . 11200 1 1048 . 1 1 88 88 GLU HA H 1 4.223 0.030 . 1 . . . . 88 GLU HA . 11200 1 1049 . 1 1 88 88 GLU HB2 H 1 2.320 0.030 . 2 . . . . 88 GLU HB2 . 11200 1 1050 . 1 1 88 88 GLU HB3 H 1 2.096 0.030 . 2 . . . . 88 GLU HB3 . 11200 1 1051 . 1 1 88 88 GLU HG2 H 1 2.482 0.030 . 2 . . . . 88 GLU HG2 . 11200 1 1052 . 1 1 88 88 GLU HG3 H 1 2.241 0.030 . 2 . . . . 88 GLU HG3 . 11200 1 1053 . 1 1 88 88 GLU C C 13 179.481 0.300 . 1 . . . . 88 GLU C . 11200 1 1054 . 1 1 88 88 GLU CA C 13 58.993 0.300 . 1 . . . . 88 GLU CA . 11200 1 1055 . 1 1 88 88 GLU CB C 13 29.943 0.300 . 1 . . . . 88 GLU CB . 11200 1 1056 . 1 1 88 88 GLU CG C 13 36.831 0.300 . 1 . . . . 88 GLU CG . 11200 1 1057 . 1 1 88 88 GLU N N 15 120.087 0.300 . 1 . . . . 88 GLU N . 11200 1 1058 . 1 1 89 89 VAL H H 1 7.863 0.030 . 1 . . . . 89 VAL H . 11200 1 1059 . 1 1 89 89 VAL HA H 1 3.453 0.030 . 1 . . . . 89 VAL HA . 11200 1 1060 . 1 1 89 89 VAL HB H 1 2.070 0.030 . 1 . . . . 89 VAL HB . 11200 1 1061 . 1 1 89 89 VAL HG11 H 1 0.940 0.030 . 1 . . . . 89 VAL HG1 . 11200 1 1062 . 1 1 89 89 VAL HG12 H 1 0.940 0.030 . 1 . . . . 89 VAL HG1 . 11200 1 1063 . 1 1 89 89 VAL HG13 H 1 0.940 0.030 . 1 . . . . 89 VAL HG1 . 11200 1 1064 . 1 1 89 89 VAL HG21 H 1 0.772 0.030 . 1 . . . . 89 VAL HG2 . 11200 1 1065 . 1 1 89 89 VAL HG22 H 1 0.772 0.030 . 1 . . . . 89 VAL HG2 . 11200 1 1066 . 1 1 89 89 VAL HG23 H 1 0.772 0.030 . 1 . . . . 89 VAL HG2 . 11200 1 1067 . 1 1 89 89 VAL C C 13 177.048 0.300 . 1 . . . . 89 VAL C . 11200 1 1068 . 1 1 89 89 VAL CA C 13 66.816 0.300 . 1 . . . . 89 VAL CA . 11200 1 1069 . 1 1 89 89 VAL CB C 13 31.254 0.300 . 1 . . . . 89 VAL CB . 11200 1 1070 . 1 1 89 89 VAL CG1 C 13 23.907 0.300 . 2 . . . . 89 VAL CG1 . 11200 1 1071 . 1 1 89 89 VAL CG2 C 13 21.279 0.300 . 2 . . . . 89 VAL CG2 . 11200 1 1072 . 1 1 89 89 VAL N N 15 119.405 0.300 . 1 . . . . 89 VAL N . 11200 1 1073 . 1 1 90 90 PHE H H 1 8.441 0.030 . 1 . . . . 90 PHE H . 11200 1 1074 . 1 1 90 90 PHE HA H 1 4.178 0.030 . 1 . . . . 90 PHE HA . 11200 1 1075 . 1 1 90 90 PHE HB2 H 1 3.297 0.030 . 2 . . . . 90 PHE HB2 . 11200 1 1076 . 1 1 90 90 PHE HB3 H 1 3.233 0.030 . 2 . . . . 90 PHE HB3 . 11200 1 1077 . 1 1 90 90 PHE HD1 H 1 7.362 0.030 . 1 . . . . 90 PHE HD1 . 11200 1 1078 . 1 1 90 90 PHE HD2 H 1 7.362 0.030 . 1 . . . . 90 PHE HD2 . 11200 1 1079 . 1 1 90 90 PHE HE1 H 1 7.400 0.030 . 1 . . . . 90 PHE HE1 . 11200 1 1080 . 1 1 90 90 PHE HE2 H 1 7.400 0.030 . 1 . . . . 90 PHE HE2 . 11200 1 1081 . 1 1 90 90 PHE HZ H 1 7.338 0.030 . 1 . . . . 90 PHE HZ . 11200 1 1082 . 1 1 90 90 PHE C C 13 178.923 0.300 . 1 . . . . 90 PHE C . 11200 1 1083 . 1 1 90 90 PHE CA C 13 61.857 0.300 . 1 . . . . 90 PHE CA . 11200 1 1084 . 1 1 90 90 PHE CB C 13 38.496 0.300 . 1 . . . . 90 PHE CB . 11200 1 1085 . 1 1 90 90 PHE CD1 C 13 131.520 0.300 . 1 . . . . 90 PHE CD1 . 11200 1 1086 . 1 1 90 90 PHE CD2 C 13 131.520 0.300 . 1 . . . . 90 PHE CD2 . 11200 1 1087 . 1 1 90 90 PHE CE1 C 13 131.313 0.300 . 1 . . . . 90 PHE CE1 . 11200 1 1088 . 1 1 90 90 PHE CE2 C 13 131.313 0.300 . 1 . . . . 90 PHE CE2 . 11200 1 1089 . 1 1 90 90 PHE CZ C 13 129.366 0.300 . 1 . . . . 90 PHE CZ . 11200 1 1090 . 1 1 90 90 PHE N N 15 119.159 0.300 . 1 . . . . 90 PHE N . 11200 1 1091 . 1 1 91 91 ASP H H 1 7.987 0.030 . 1 . . . . 91 ASP H . 11200 1 1092 . 1 1 91 91 ASP HA H 1 4.404 0.030 . 1 . . . . 91 ASP HA . 11200 1 1093 . 1 1 91 91 ASP HB2 H 1 2.830 0.030 . 2 . . . . 91 ASP HB2 . 11200 1 1094 . 1 1 91 91 ASP HB3 H 1 2.731 0.030 . 2 . . . . 91 ASP HB3 . 11200 1 1095 . 1 1 91 91 ASP C C 13 178.898 0.300 . 1 . . . . 91 ASP C . 11200 1 1096 . 1 1 91 91 ASP CA C 13 57.681 0.300 . 1 . . . . 91 ASP CA . 11200 1 1097 . 1 1 91 91 ASP CB C 13 40.229 0.300 . 1 . . . . 91 ASP CB . 11200 1 1098 . 1 1 91 91 ASP N N 15 120.256 0.300 . 1 . . . . 91 ASP N . 11200 1 1099 . 1 1 92 92 LEU H H 1 7.977 0.030 . 1 . . . . 92 LEU H . 11200 1 1100 . 1 1 92 92 LEU HA H 1 4.128 0.030 . 1 . . . . 92 LEU HA . 11200 1 1101 . 1 1 92 92 LEU HB2 H 1 1.895 0.030 . 2 . . . . 92 LEU HB2 . 11200 1 1102 . 1 1 92 92 LEU HB3 H 1 1.570 0.030 . 2 . . . . 92 LEU HB3 . 11200 1 1103 . 1 1 92 92 LEU HD11 H 1 0.814 0.030 . 1 . . . . 92 LEU HD1 . 11200 1 1104 . 1 1 92 92 LEU HD12 H 1 0.814 0.030 . 1 . . . . 92 LEU HD1 . 11200 1 1105 . 1 1 92 92 LEU HD13 H 1 0.814 0.030 . 1 . . . . 92 LEU HD1 . 11200 1 1106 . 1 1 92 92 LEU HD21 H 1 0.829 0.030 . 1 . . . . 92 LEU HD2 . 11200 1 1107 . 1 1 92 92 LEU HD22 H 1 0.829 0.030 . 1 . . . . 92 LEU HD2 . 11200 1 1108 . 1 1 92 92 LEU HD23 H 1 0.829 0.030 . 1 . . . . 92 LEU HD2 . 11200 1 1109 . 1 1 92 92 LEU HG H 1 1.836 0.030 . 1 . . . . 92 LEU HG . 11200 1 1110 . 1 1 92 92 LEU C C 13 179.234 0.300 . 1 . . . . 92 LEU C . 11200 1 1111 . 1 1 92 92 LEU CA C 13 58.046 0.300 . 1 . . . . 92 LEU CA . 11200 1 1112 . 1 1 92 92 LEU CB C 13 42.099 0.300 . 1 . . . . 92 LEU CB . 11200 1 1113 . 1 1 92 92 LEU CD1 C 13 25.164 0.300 . 2 . . . . 92 LEU CD1 . 11200 1 1114 . 1 1 92 92 LEU CD2 C 13 24.403 0.300 . 2 . . . . 92 LEU CD2 . 11200 1 1115 . 1 1 92 92 LEU CG C 13 26.520 0.300 . 1 . . . . 92 LEU CG . 11200 1 1116 . 1 1 92 92 LEU N N 15 121.583 0.300 . 1 . . . . 92 LEU N . 11200 1 1117 . 1 1 93 93 LEU H H 1 8.143 0.030 . 1 . . . . 93 LEU H . 11200 1 1118 . 1 1 93 93 LEU HA H 1 4.062 0.030 . 1 . . . . 93 LEU HA . 11200 1 1119 . 1 1 93 93 LEU HB2 H 1 1.864 0.030 . 2 . . . . 93 LEU HB2 . 11200 1 1120 . 1 1 93 93 LEU HB3 H 1 1.468 0.030 . 2 . . . . 93 LEU HB3 . 11200 1 1121 . 1 1 93 93 LEU HD11 H 1 0.767 0.030 . 1 . . . . 93 LEU HD1 . 11200 1 1122 . 1 1 93 93 LEU HD12 H 1 0.767 0.030 . 1 . . . . 93 LEU HD1 . 11200 1 1123 . 1 1 93 93 LEU HD13 H 1 0.767 0.030 . 1 . . . . 93 LEU HD1 . 11200 1 1124 . 1 1 93 93 LEU HD21 H 1 0.824 0.030 . 1 . . . . 93 LEU HD2 . 11200 1 1125 . 1 1 93 93 LEU HD22 H 1 0.824 0.030 . 1 . . . . 93 LEU HD2 . 11200 1 1126 . 1 1 93 93 LEU HD23 H 1 0.824 0.030 . 1 . . . . 93 LEU HD2 . 11200 1 1127 . 1 1 93 93 LEU HG H 1 1.750 0.030 . 1 . . . . 93 LEU HG . 11200 1 1128 . 1 1 93 93 LEU C C 13 179.319 0.300 . 1 . . . . 93 LEU C . 11200 1 1129 . 1 1 93 93 LEU CA C 13 56.973 0.300 . 1 . . . . 93 LEU CA . 11200 1 1130 . 1 1 93 93 LEU CB C 13 42.483 0.300 . 1 . . . . 93 LEU CB . 11200 1 1131 . 1 1 93 93 LEU CD1 C 13 25.375 0.300 . 2 . . . . 93 LEU CD1 . 11200 1 1132 . 1 1 93 93 LEU CD2 C 13 23.737 0.300 . 2 . . . . 93 LEU CD2 . 11200 1 1133 . 1 1 93 93 LEU CG C 13 27.025 0.300 . 1 . . . . 93 LEU CG . 11200 1 1134 . 1 1 93 93 LEU N N 15 117.013 0.300 . 1 . . . . 93 LEU N . 11200 1 1135 . 1 1 94 94 SER H H 1 7.756 0.030 . 1 . . . . 94 SER H . 11200 1 1136 . 1 1 94 94 SER HA H 1 4.146 0.030 . 1 . . . . 94 SER HA . 11200 1 1137 . 1 1 94 94 SER HB2 H 1 3.951 0.030 . 2 . . . . 94 SER HB2 . 11200 1 1138 . 1 1 94 94 SER HB3 H 1 3.908 0.030 . 2 . . . . 94 SER HB3 . 11200 1 1139 . 1 1 94 94 SER C C 13 175.009 0.300 . 1 . . . . 94 SER C . 11200 1 1140 . 1 1 94 94 SER CA C 13 61.303 0.300 . 1 . . . . 94 SER CA . 11200 1 1141 . 1 1 94 94 SER CB C 13 63.292 0.300 . 1 . . . . 94 SER CB . 11200 1 1142 . 1 1 94 94 SER N N 15 113.570 0.300 . 1 . . . . 94 SER N . 11200 1 1143 . 1 1 95 95 ASP H H 1 7.485 0.030 . 1 . . . . 95 ASP H . 11200 1 1144 . 1 1 95 95 ASP HA H 1 4.877 0.030 . 1 . . . . 95 ASP HA . 11200 1 1145 . 1 1 95 95 ASP HB2 H 1 2.794 0.030 . 2 . . . . 95 ASP HB2 . 11200 1 1146 . 1 1 95 95 ASP HB3 H 1 2.603 0.030 . 2 . . . . 95 ASP HB3 . 11200 1 1147 . 1 1 95 95 ASP C C 13 175.889 0.300 . 1 . . . . 95 ASP C . 11200 1 1148 . 1 1 95 95 ASP CA C 13 54.150 0.300 . 1 . . . . 95 ASP CA . 11200 1 1149 . 1 1 95 95 ASP CB C 13 42.224 0.300 . 1 . . . . 95 ASP CB . 11200 1 1150 . 1 1 95 95 ASP N N 15 119.168 0.300 . 1 . . . . 95 ASP N . 11200 1 1151 . 1 1 96 96 MET H H 1 7.407 0.030 . 1 . . . . 96 MET H . 11200 1 1152 . 1 1 96 96 MET HA H 1 4.396 0.030 . 1 . . . . 96 MET HA . 11200 1 1153 . 1 1 96 96 MET HB2 H 1 1.931 0.030 . 2 . . . . 96 MET HB2 . 11200 1 1154 . 1 1 96 96 MET HB3 H 1 1.797 0.030 . 2 . . . . 96 MET HB3 . 11200 1 1155 . 1 1 96 96 MET HE1 H 1 1.890 0.030 . 1 . . . . 96 MET HE . 11200 1 1156 . 1 1 96 96 MET HE2 H 1 1.890 0.030 . 1 . . . . 96 MET HE . 11200 1 1157 . 1 1 96 96 MET HE3 H 1 1.890 0.030 . 1 . . . . 96 MET HE . 11200 1 1158 . 1 1 96 96 MET HG2 H 1 2.769 0.030 . 2 . . . . 96 MET HG2 . 11200 1 1159 . 1 1 96 96 MET HG3 H 1 2.424 0.030 . 2 . . . . 96 MET HG3 . 11200 1 1160 . 1 1 96 96 MET C C 13 174.822 0.300 . 1 . . . . 96 MET C . 11200 1 1161 . 1 1 96 96 MET CA C 13 56.407 0.300 . 1 . . . . 96 MET CA . 11200 1 1162 . 1 1 96 96 MET CB C 13 33.976 0.300 . 1 . . . . 96 MET CB . 11200 1 1163 . 1 1 96 96 MET CE C 13 17.669 0.300 . 1 . . . . 96 MET CE . 11200 1 1164 . 1 1 96 96 MET CG C 13 32.858 0.300 . 1 . . . . 96 MET CG . 11200 1 1165 . 1 1 96 96 MET N N 15 119.266 0.300 . 1 . . . . 96 MET N . 11200 1 1166 . 1 1 97 97 HIS H H 1 8.266 0.030 . 1 . . . . 97 HIS H . 11200 1 1167 . 1 1 97 97 HIS HA H 1 4.760 0.030 . 1 . . . . 97 HIS HA . 11200 1 1168 . 1 1 97 97 HIS HB2 H 1 3.171 0.030 . 2 . . . . 97 HIS HB2 . 11200 1 1169 . 1 1 97 97 HIS HB3 H 1 3.059 0.030 . 2 . . . . 97 HIS HB3 . 11200 1 1170 . 1 1 97 97 HIS HD2 H 1 7.146 0.030 . 1 . . . . 97 HIS HD2 . 11200 1 1171 . 1 1 97 97 HIS C C 13 173.707 0.300 . 1 . . . . 97 HIS C . 11200 1 1172 . 1 1 97 97 HIS CA C 13 54.779 0.300 . 1 . . . . 97 HIS CA . 11200 1 1173 . 1 1 97 97 HIS CB C 13 31.904 0.300 . 1 . . . . 97 HIS CB . 11200 1 1174 . 1 1 97 97 HIS CD2 C 13 120.574 0.300 . 1 . . . . 97 HIS CD2 . 11200 1 1175 . 1 1 97 97 HIS N N 15 117.541 0.300 . 1 . . . . 97 HIS N . 11200 1 1176 . 1 1 98 98 GLY H H 1 8.807 0.030 . 1 . . . . 98 GLY H . 11200 1 1177 . 1 1 98 98 GLY HA2 H 1 4.241 0.030 . 2 . . . . 98 GLY HA2 . 11200 1 1178 . 1 1 98 98 GLY HA3 H 1 3.714 0.030 . 2 . . . . 98 GLY HA3 . 11200 1 1179 . 1 1 98 98 GLY C C 13 173.281 0.300 . 1 . . . . 98 GLY C . 11200 1 1180 . 1 1 98 98 GLY CA C 13 44.836 0.300 . 1 . . . . 98 GLY CA . 11200 1 1181 . 1 1 98 98 GLY N N 15 110.467 0.300 . 1 . . . . 98 GLY N . 11200 1 1182 . 1 1 99 99 THR H H 1 8.502 0.030 . 1 . . . . 99 THR H . 11200 1 1183 . 1 1 99 99 THR HA H 1 4.400 0.030 . 1 . . . . 99 THR HA . 11200 1 1184 . 1 1 99 99 THR HB H 1 3.890 0.030 . 1 . . . . 99 THR HB . 11200 1 1185 . 1 1 99 99 THR HG21 H 1 1.027 0.030 . 1 . . . . 99 THR HG2 . 11200 1 1186 . 1 1 99 99 THR HG22 H 1 1.027 0.030 . 1 . . . . 99 THR HG2 . 11200 1 1187 . 1 1 99 99 THR HG23 H 1 1.027 0.030 . 1 . . . . 99 THR HG2 . 11200 1 1188 . 1 1 99 99 THR C C 13 174.373 0.300 . 1 . . . . 99 THR C . 11200 1 1189 . 1 1 99 99 THR CA C 13 63.416 0.300 . 1 . . . . 99 THR CA . 11200 1 1190 . 1 1 99 99 THR CB C 13 68.933 0.300 . 1 . . . . 99 THR CB . 11200 1 1191 . 1 1 99 99 THR CG2 C 13 22.214 0.300 . 1 . . . . 99 THR CG2 . 11200 1 1192 . 1 1 99 99 THR N N 15 120.956 0.300 . 1 . . . . 99 THR N . 11200 1 1193 . 1 1 100 100 LEU H H 1 9.394 0.030 . 1 . . . . 100 LEU H . 11200 1 1194 . 1 1 100 100 LEU HA H 1 4.810 0.030 . 1 . . . . 100 LEU HA . 11200 1 1195 . 1 1 100 100 LEU HB2 H 1 1.854 0.030 . 2 . . . . 100 LEU HB2 . 11200 1 1196 . 1 1 100 100 LEU HB3 H 1 1.063 0.030 . 2 . . . . 100 LEU HB3 . 11200 1 1197 . 1 1 100 100 LEU HD11 H 1 0.753 0.030 . 1 . . . . 100 LEU HD1 . 11200 1 1198 . 1 1 100 100 LEU HD12 H 1 0.753 0.030 . 1 . . . . 100 LEU HD1 . 11200 1 1199 . 1 1 100 100 LEU HD13 H 1 0.753 0.030 . 1 . . . . 100 LEU HD1 . 11200 1 1200 . 1 1 100 100 LEU HD21 H 1 0.599 0.030 . 1 . . . . 100 LEU HD2 . 11200 1 1201 . 1 1 100 100 LEU HD22 H 1 0.599 0.030 . 1 . . . . 100 LEU HD2 . 11200 1 1202 . 1 1 100 100 LEU HD23 H 1 0.599 0.030 . 1 . . . . 100 LEU HD2 . 11200 1 1203 . 1 1 100 100 LEU HG H 1 1.711 0.030 . 1 . . . . 100 LEU HG . 11200 1 1204 . 1 1 100 100 LEU C C 13 175.507 0.300 . 1 . . . . 100 LEU C . 11200 1 1205 . 1 1 100 100 LEU CA C 13 53.952 0.300 . 1 . . . . 100 LEU CA . 11200 1 1206 . 1 1 100 100 LEU CB C 13 43.992 0.300 . 1 . . . . 100 LEU CB . 11200 1 1207 . 1 1 100 100 LEU CD1 C 13 25.976 0.300 . 2 . . . . 100 LEU CD1 . 11200 1 1208 . 1 1 100 100 LEU CD2 C 13 24.959 0.300 . 2 . . . . 100 LEU CD2 . 11200 1 1209 . 1 1 100 100 LEU CG C 13 27.944 0.300 . 1 . . . . 100 LEU CG . 11200 1 1210 . 1 1 100 100 LEU N N 15 131.605 0.300 . 1 . . . . 100 LEU N . 11200 1 1211 . 1 1 101 101 THR H H 1 8.951 0.030 . 1 . . . . 101 THR H . 11200 1 1212 . 1 1 101 101 THR HA H 1 4.932 0.030 . 1 . . . . 101 THR HA . 11200 1 1213 . 1 1 101 101 THR HB H 1 3.953 0.030 . 1 . . . . 101 THR HB . 11200 1 1214 . 1 1 101 101 THR HG21 H 1 0.946 0.030 . 1 . . . . 101 THR HG2 . 11200 1 1215 . 1 1 101 101 THR HG22 H 1 0.946 0.030 . 1 . . . . 101 THR HG2 . 11200 1 1216 . 1 1 101 101 THR HG23 H 1 0.946 0.030 . 1 . . . . 101 THR HG2 . 11200 1 1217 . 1 1 101 101 THR C C 13 174.277 0.300 . 1 . . . . 101 THR C . 11200 1 1218 . 1 1 101 101 THR CA C 13 62.235 0.300 . 1 . . . . 101 THR CA . 11200 1 1219 . 1 1 101 101 THR CB C 13 69.190 0.300 . 1 . . . . 101 THR CB . 11200 1 1220 . 1 1 101 101 THR CG2 C 13 21.629 0.300 . 1 . . . . 101 THR CG2 . 11200 1 1221 . 1 1 101 101 THR N N 15 120.015 0.300 . 1 . . . . 101 THR N . 11200 1 1222 . 1 1 102 102 PHE H H 1 9.714 0.030 . 1 . . . . 102 PHE H . 11200 1 1223 . 1 1 102 102 PHE HA H 1 5.064 0.030 . 1 . . . . 102 PHE HA . 11200 1 1224 . 1 1 102 102 PHE HB2 H 1 3.110 0.030 . 2 . . . . 102 PHE HB2 . 11200 1 1225 . 1 1 102 102 PHE HB3 H 1 2.618 0.030 . 2 . . . . 102 PHE HB3 . 11200 1 1226 . 1 1 102 102 PHE HD1 H 1 7.093 0.030 . 1 . . . . 102 PHE HD1 . 11200 1 1227 . 1 1 102 102 PHE HD2 H 1 7.093 0.030 . 1 . . . . 102 PHE HD2 . 11200 1 1228 . 1 1 102 102 PHE HE1 H 1 6.932 0.030 . 1 . . . . 102 PHE HE1 . 11200 1 1229 . 1 1 102 102 PHE HE2 H 1 6.932 0.030 . 1 . . . . 102 PHE HE2 . 11200 1 1230 . 1 1 102 102 PHE HZ H 1 6.905 0.030 . 1 . . . . 102 PHE HZ . 11200 1 1231 . 1 1 102 102 PHE C C 13 174.524 0.300 . 1 . . . . 102 PHE C . 11200 1 1232 . 1 1 102 102 PHE CA C 13 56.549 0.300 . 1 . . . . 102 PHE CA . 11200 1 1233 . 1 1 102 102 PHE CB C 13 42.176 0.300 . 1 . . . . 102 PHE CB . 11200 1 1234 . 1 1 102 102 PHE CD1 C 13 131.450 0.300 . 1 . . . . 102 PHE CD1 . 11200 1 1235 . 1 1 102 102 PHE CD2 C 13 131.450 0.300 . 1 . . . . 102 PHE CD2 . 11200 1 1236 . 1 1 102 102 PHE CE1 C 13 130.312 0.300 . 1 . . . . 102 PHE CE1 . 11200 1 1237 . 1 1 102 102 PHE CE2 C 13 130.312 0.300 . 1 . . . . 102 PHE CE2 . 11200 1 1238 . 1 1 102 102 PHE CZ C 13 128.221 0.300 . 1 . . . . 102 PHE CZ . 11200 1 1239 . 1 1 102 102 PHE N N 15 127.265 0.300 . 1 . . . . 102 PHE N . 11200 1 1240 . 1 1 103 103 VAL H H 1 8.501 0.030 . 1 . . . . 103 VAL H . 11200 1 1241 . 1 1 103 103 VAL HA H 1 4.667 0.030 . 1 . . . . 103 VAL HA . 11200 1 1242 . 1 1 103 103 VAL HB H 1 1.838 0.030 . 1 . . . . 103 VAL HB . 11200 1 1243 . 1 1 103 103 VAL HG11 H 1 0.711 0.030 . 1 . . . . 103 VAL HG1 . 11200 1 1244 . 1 1 103 103 VAL HG12 H 1 0.711 0.030 . 1 . . . . 103 VAL HG1 . 11200 1 1245 . 1 1 103 103 VAL HG13 H 1 0.711 0.030 . 1 . . . . 103 VAL HG1 . 11200 1 1246 . 1 1 103 103 VAL HG21 H 1 0.850 0.030 . 1 . . . . 103 VAL HG2 . 11200 1 1247 . 1 1 103 103 VAL HG22 H 1 0.850 0.030 . 1 . . . . 103 VAL HG2 . 11200 1 1248 . 1 1 103 103 VAL HG23 H 1 0.850 0.030 . 1 . . . . 103 VAL HG2 . 11200 1 1249 . 1 1 103 103 VAL C C 13 175.462 0.300 . 1 . . . . 103 VAL C . 11200 1 1250 . 1 1 103 103 VAL CA C 13 62.211 0.300 . 1 . . . . 103 VAL CA . 11200 1 1251 . 1 1 103 103 VAL CB C 13 32.288 0.300 . 1 . . . . 103 VAL CB . 11200 1 1252 . 1 1 103 103 VAL CG1 C 13 21.557 0.300 . 2 . . . . 103 VAL CG1 . 11200 1 1253 . 1 1 103 103 VAL CG2 C 13 20.793 0.300 . 2 . . . . 103 VAL CG2 . 11200 1 1254 . 1 1 103 103 VAL N N 15 121.507 0.300 . 1 . . . . 103 VAL N . 11200 1 1255 . 1 1 104 104 LEU H H 1 9.432 0.030 . 1 . . . . 104 LEU H . 11200 1 1256 . 1 1 104 104 LEU HA H 1 5.709 0.030 . 1 . . . . 104 LEU HA . 11200 1 1257 . 1 1 104 104 LEU HB2 H 1 1.635 0.030 . 2 . . . . 104 LEU HB2 . 11200 1 1258 . 1 1 104 104 LEU HB3 H 1 1.329 0.030 . 2 . . . . 104 LEU HB3 . 11200 1 1259 . 1 1 104 104 LEU HD11 H 1 0.810 0.030 . 1 . . . . 104 LEU HD1 . 11200 1 1260 . 1 1 104 104 LEU HD12 H 1 0.810 0.030 . 1 . . . . 104 LEU HD1 . 11200 1 1261 . 1 1 104 104 LEU HD13 H 1 0.810 0.030 . 1 . . . . 104 LEU HD1 . 11200 1 1262 . 1 1 104 104 LEU HD21 H 1 0.783 0.030 . 1 . . . . 104 LEU HD2 . 11200 1 1263 . 1 1 104 104 LEU HD22 H 1 0.783 0.030 . 1 . . . . 104 LEU HD2 . 11200 1 1264 . 1 1 104 104 LEU HD23 H 1 0.783 0.030 . 1 . . . . 104 LEU HD2 . 11200 1 1265 . 1 1 104 104 LEU HG H 1 1.662 0.030 . 1 . . . . 104 LEU HG . 11200 1 1266 . 1 1 104 104 LEU C C 13 176.775 0.300 . 1 . . . . 104 LEU C . 11200 1 1267 . 1 1 104 104 LEU CA C 13 53.178 0.300 . 1 . . . . 104 LEU CA . 11200 1 1268 . 1 1 104 104 LEU CB C 13 47.290 0.300 . 1 . . . . 104 LEU CB . 11200 1 1269 . 1 1 104 104 LEU CD1 C 13 26.134 0.300 . 2 . . . . 104 LEU CD1 . 11200 1 1270 . 1 1 104 104 LEU CD2 C 13 26.333 0.300 . 2 . . . . 104 LEU CD2 . 11200 1 1271 . 1 1 104 104 LEU CG C 13 26.361 0.300 . 1 . . . . 104 LEU CG . 11200 1 1272 . 1 1 104 104 LEU N N 15 126.413 0.300 . 1 . . . . 104 LEU N . 11200 1 1273 . 1 1 105 105 ILE H H 1 8.926 0.030 . 1 . . . . 105 ILE H . 11200 1 1274 . 1 1 105 105 ILE HA H 1 4.850 0.030 . 1 . . . . 105 ILE HA . 11200 1 1275 . 1 1 105 105 ILE HB H 1 1.886 0.030 . 1 . . . . 105 ILE HB . 11200 1 1276 . 1 1 105 105 ILE HD11 H 1 0.805 0.030 . 1 . . . . 105 ILE HD1 . 11200 1 1277 . 1 1 105 105 ILE HD12 H 1 0.805 0.030 . 1 . . . . 105 ILE HD1 . 11200 1 1278 . 1 1 105 105 ILE HD13 H 1 0.805 0.030 . 1 . . . . 105 ILE HD1 . 11200 1 1279 . 1 1 105 105 ILE HG12 H 1 1.503 0.030 . 2 . . . . 105 ILE HG12 . 11200 1 1280 . 1 1 105 105 ILE HG13 H 1 1.036 0.030 . 2 . . . . 105 ILE HG13 . 11200 1 1281 . 1 1 105 105 ILE HG21 H 1 0.952 0.030 . 1 . . . . 105 ILE HG2 . 11200 1 1282 . 1 1 105 105 ILE HG22 H 1 0.952 0.030 . 1 . . . . 105 ILE HG2 . 11200 1 1283 . 1 1 105 105 ILE HG23 H 1 0.952 0.030 . 1 . . . . 105 ILE HG2 . 11200 1 1284 . 1 1 105 105 ILE C C 13 175.460 0.300 . 1 . . . . 105 ILE C . 11200 1 1285 . 1 1 105 105 ILE CA C 13 58.892 0.300 . 1 . . . . 105 ILE CA . 11200 1 1286 . 1 1 105 105 ILE CB C 13 39.434 0.300 . 1 . . . . 105 ILE CB . 11200 1 1287 . 1 1 105 105 ILE CD1 C 13 13.499 0.300 . 1 . . . . 105 ILE CD1 . 11200 1 1288 . 1 1 105 105 ILE CG1 C 13 27.456 0.300 . 1 . . . . 105 ILE CG1 . 11200 1 1289 . 1 1 105 105 ILE CG2 C 13 17.187 0.300 . 1 . . . . 105 ILE CG2 . 11200 1 1290 . 1 1 105 105 ILE N N 15 119.882 0.300 . 1 . . . . 105 ILE N . 11200 1 1291 . 1 1 106 106 PRO HA H 1 4.479 0.030 . 1 . . . . 106 PRO HA . 11200 1 1292 . 1 1 106 106 PRO HB2 H 1 2.176 0.030 . 2 . . . . 106 PRO HB2 . 11200 1 1293 . 1 1 106 106 PRO HB3 H 1 1.976 0.030 . 2 . . . . 106 PRO HB3 . 11200 1 1294 . 1 1 106 106 PRO HD2 H 1 3.908 0.030 . 2 . . . . 106 PRO HD2 . 11200 1 1295 . 1 1 106 106 PRO HD3 H 1 3.701 0.030 . 2 . . . . 106 PRO HD3 . 11200 1 1296 . 1 1 106 106 PRO HG2 H 1 2.070 0.030 . 2 . . . . 106 PRO HG2 . 11200 1 1297 . 1 1 106 106 PRO HG3 H 1 1.766 0.030 . 2 . . . . 106 PRO HG3 . 11200 1 1298 . 1 1 106 106 PRO C C 13 176.602 0.300 . 1 . . . . 106 PRO C . 11200 1 1299 . 1 1 106 106 PRO CA C 13 62.317 0.300 . 1 . . . . 106 PRO CA . 11200 1 1300 . 1 1 106 106 PRO CB C 13 32.558 0.300 . 1 . . . . 106 PRO CB . 11200 1 1301 . 1 1 106 106 PRO CD C 13 51.673 0.300 . 1 . . . . 106 PRO CD . 11200 1 1302 . 1 1 106 106 PRO CG C 13 27.476 0.300 . 1 . . . . 106 PRO CG . 11200 1 1303 . 1 1 107 107 SER H H 1 9.122 0.030 . 1 . . . . 107 SER H . 11200 1 1304 . 1 1 107 107 SER HA H 1 4.270 0.030 . 1 . . . . 107 SER HA . 11200 1 1305 . 1 1 107 107 SER HB2 H 1 3.891 0.030 . 2 . . . . 107 SER HB2 . 11200 1 1306 . 1 1 107 107 SER HB3 H 1 3.703 0.030 . 2 . . . . 107 SER HB3 . 11200 1 1307 . 1 1 107 107 SER C C 13 175.752 0.300 . 1 . . . . 107 SER C . 11200 1 1308 . 1 1 107 107 SER CA C 13 58.480 0.300 . 1 . . . . 107 SER CA . 11200 1 1309 . 1 1 107 107 SER CB C 13 63.690 0.300 . 1 . . . . 107 SER CB . 11200 1 1310 . 1 1 107 107 SER N N 15 116.745 0.300 . 1 . . . . 107 SER N . 11200 1 1311 . 1 1 108 108 SER H H 1 8.567 0.030 . 1 . . . . 108 SER H . 11200 1 1312 . 1 1 108 108 SER HA H 1 4.489 0.030 . 1 . . . . 108 SER HA . 11200 1 1313 . 1 1 108 108 SER HB2 H 1 3.896 0.030 . 2 . . . . 108 SER HB2 . 11200 1 1314 . 1 1 108 108 SER HB3 H 1 3.846 0.030 . 2 . . . . 108 SER HB3 . 11200 1 1315 . 1 1 108 108 SER C C 13 174.588 0.300 . 1 . . . . 108 SER C . 11200 1 1316 . 1 1 108 108 SER CA C 13 58.425 0.300 . 1 . . . . 108 SER CA . 11200 1 1317 . 1 1 108 108 SER CB C 13 63.890 0.300 . 1 . . . . 108 SER CB . 11200 1 1318 . 1 1 108 108 SER N N 15 119.408 0.300 . 1 . . . . 108 SER N . 11200 1 1319 . 1 1 109 109 GLY H H 1 8.196 0.030 . 1 . . . . 109 GLY H . 11200 1 1320 . 1 1 109 109 GLY HA2 H 1 4.090 0.030 . 1 . . . . 109 GLY HA2 . 11200 1 1321 . 1 1 109 109 GLY HA3 H 1 4.090 0.030 . 1 . . . . 109 GLY HA3 . 11200 1 1322 . 1 1 109 109 GLY C C 13 171.657 0.300 . 1 . . . . 109 GLY C . 11200 1 1323 . 1 1 109 109 GLY CA C 13 44.663 0.300 . 1 . . . . 109 GLY CA . 11200 1 1324 . 1 1 109 109 GLY N N 15 110.489 0.300 . 1 . . . . 109 GLY N . 11200 1 1325 . 1 1 110 110 PRO HA H 1 4.452 0.030 . 1 . . . . 110 PRO HA . 11200 1 1326 . 1 1 110 110 PRO HB2 H 1 2.255 0.030 . 2 . . . . 110 PRO HB2 . 11200 1 1327 . 1 1 110 110 PRO HB3 H 1 1.946 0.030 . 2 . . . . 110 PRO HB3 . 11200 1 1328 . 1 1 110 110 PRO HD2 H 1 3.595 0.030 . 1 . . . . 110 PRO HD2 . 11200 1 1329 . 1 1 110 110 PRO HD3 H 1 3.595 0.030 . 1 . . . . 110 PRO HD3 . 11200 1 1330 . 1 1 110 110 PRO HG2 H 1 1.993 0.030 . 1 . . . . 110 PRO HG2 . 11200 1 1331 . 1 1 110 110 PRO HG3 H 1 1.993 0.030 . 1 . . . . 110 PRO HG3 . 11200 1 1332 . 1 1 110 110 PRO C C 13 177.360 0.300 . 1 . . . . 110 PRO C . 11200 1 1333 . 1 1 110 110 PRO CA C 13 63.102 0.300 . 1 . . . . 110 PRO CA . 11200 1 1334 . 1 1 110 110 PRO CB C 13 32.235 0.300 . 1 . . . . 110 PRO CB . 11200 1 1335 . 1 1 110 110 PRO CD C 13 49.752 0.300 . 1 . . . . 110 PRO CD . 11200 1 1336 . 1 1 110 110 PRO CG C 13 27.147 0.300 . 1 . . . . 110 PRO CG . 11200 1 1337 . 1 1 111 111 SER H H 1 8.502 0.030 . 1 . . . . 111 SER H . 11200 1 1338 . 1 1 111 111 SER HA H 1 4.479 0.030 . 1 . . . . 111 SER HA . 11200 1 1339 . 1 1 111 111 SER HB2 H 1 3.884 0.030 . 1 . . . . 111 SER HB2 . 11200 1 1340 . 1 1 111 111 SER HB3 H 1 3.884 0.030 . 1 . . . . 111 SER HB3 . 11200 1 1341 . 1 1 111 111 SER C C 13 174.685 0.300 . 1 . . . . 111 SER C . 11200 1 1342 . 1 1 111 111 SER CA C 13 58.362 0.300 . 1 . . . . 111 SER CA . 11200 1 1343 . 1 1 111 111 SER CB C 13 63.824 0.300 . 1 . . . . 111 SER CB . 11200 1 1344 . 1 1 111 111 SER N N 15 116.444 0.300 . 1 . . . . 111 SER N . 11200 1 1345 . 1 1 112 112 SER H H 1 8.329 0.030 . 1 . . . . 112 SER H . 11200 1 1346 . 1 1 112 112 SER HA H 1 4.471 0.030 . 1 . . . . 112 SER HA . 11200 1 1347 . 1 1 112 112 SER HB2 H 1 3.876 0.030 . 1 . . . . 112 SER HB2 . 11200 1 1348 . 1 1 112 112 SER HB3 H 1 3.876 0.030 . 1 . . . . 112 SER HB3 . 11200 1 1349 . 1 1 112 112 SER C C 13 173.935 0.300 . 1 . . . . 112 SER C . 11200 1 1350 . 1 1 112 112 SER CA C 13 58.389 0.300 . 1 . . . . 112 SER CA . 11200 1 1351 . 1 1 112 112 SER CB C 13 63.904 0.300 . 1 . . . . 112 SER CB . 11200 1 1352 . 1 1 112 112 SER N N 15 117.873 0.300 . 1 . . . . 112 SER N . 11200 1 1353 . 1 1 113 113 GLY H H 1 8.038 0.030 . 1 . . . . 113 GLY H . 11200 1 1354 . 1 1 113 113 GLY HA2 H 1 3.762 0.030 . 1 . . . . 113 GLY HA2 . 11200 1 1355 . 1 1 113 113 GLY HA3 H 1 3.762 0.030 . 1 . . . . 113 GLY HA3 . 11200 1 1356 . 1 1 113 113 GLY C C 13 178.981 0.300 . 1 . . . . 113 GLY C . 11200 1 1357 . 1 1 113 113 GLY CA C 13 46.193 0.300 . 1 . . . . 113 GLY CA . 11200 1 1358 . 1 1 113 113 GLY N N 15 116.824 0.300 . 1 . . . . 113 GLY N . 11200 1 stop_ save_