data_16648 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16648 _Entry.Title ; Solution NMR Structure of a Conserved Hypothetical Membrane Lipoprotein Obtained from Ureaplasma parvum: Northeast Structural Genomics Consortium Target UuR17A (139-239) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-12-22 _Entry.Accession_date 2009-12-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 R. Mani . . . 16648 2 G.V.T Swapna . . . 16648 3 H. Janjua . . . 16648 4 C. Ciccosanti . . . 16648 5 'Y. J.' Huang . . . 16648 6 'D. J.' Patel . . . 16648 7 R. Xiao . . . 16648 8 T. Acton . . . 16648 9 J. Everett . . . 16648 10 G.T. Montelione . . . 16648 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 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16648 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Lipoprotein . 16648 NESG . 16648 'Solution NMR' . 16648 'Ureaplasma parvum' . 16648 UuR17A . 16648 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16648 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 508 16648 '15N chemical shifts' 120 16648 '1H chemical shifts' 775 16648 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 2 . . 2011-09-02 2009-12-12 update author 'update entry citation' 16648 1 . . 2010-07-26 2009-12-12 original author 'original release' 16648 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KRT 'BMRB Entry Tracking System' 16648 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16648 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21153711 _Citation.Full_citation . _Citation.Title 'Solution NMR and X-ray crystal structures of membrane-associated Lipoprotein-17 domain reveal a novel fold.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Funct. Genomics' _Citation.Journal_name_full 'Journal of structural and functional genomics' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _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 27 _Citation.Page_last 32 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rajeswari Mani . . . 16648 1 2 Sergey Vorobiev . . . 16648 1 3 G. Swapna . V.T. . 16648 1 4 Helen Neely . . . 16648 1 5 Haleema Janjua . . . 16648 1 6 Colleen Ciccosanti . . . 16648 1 7 Rong Xiao . . . 16648 1 8 Thomas Acton . B. . 16648 1 9 John Everett . K. . 16648 1 10 John Hunt . . . 16648 1 11 Gaetano Montelione . T. . 16648 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Lipoprotein 16648 1 'Northeast Structural Genomics Consortium' 16648 1 'Solution NMR' 16648 1 'Ureaplasma parvum' 16648 1 UuR17A 16648 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16648 _Assembly.ID 1 _Assembly.Name UuR17A _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 UuR17A 1 $UuR17A_Lipoprotein A . yes native no no . . . 16648 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UuR17A_Lipoprotein _Entity.Sf_category entity _Entity.Sf_framecode UuR17A_Lipoprotein _Entity.Entry_ID 16648 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UuR17A,_Lipoprotein _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 ; MLSQANEDFKKIVNNIRLKD TFDFKLAAFPNQNYDQLLPS QIYKNYYQGIEIQQHKYQNE LDIKIINFLYPDGDFGSANK NGTLKLSLMLTDKKNNQVYY KLLEVSGFKSNPYLEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-121 _Entity.Polymer_author_seq_details 'Last 8 residues LEHHHHHH is a C-terminal tag' _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14356.324 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2KRT . "Solution Nmr Structure Of A Conserved Hypothetical Membrane Lipoprotein Obtained From Ureaplasma Parvum: Northeast Structural G" . . . . . 100.00 121 100.00 100.00 1.24e-80 . . . . 16648 1 2 no DBJ BAO73398 . "membrane lipoprotein [Ureaplasma parvum serovar 3]" . . . . . 92.56 834 100.00 100.00 1.03e-66 . . . . 16648 1 3 no EMBL CPS23611 . "Membrane-associated lipoprotein precursor [Chlamydia trachomatis]" . . . . . 92.56 291 98.21 100.00 9.05e-70 . . . . 16648 1 4 no GB AAF30450 . "conserved hypothetical membrane lipoprotein [Ureaplasma parvum serovar 3 str. ATCC 700970]" . . . . . 92.56 834 100.00 100.00 1.03e-66 . . . . 16648 1 5 no GB ACA32833 . "putative lipoprotein [Ureaplasma parvum serovar 3 str. ATCC 27815]" . . . . . 92.56 834 100.00 100.00 1.03e-66 . . . . 16648 1 6 no GB ACI60006 . "lipoprotein [Ureaplasma urealyticum serovar 10 str. ATCC 33699]" . . . . . 92.56 834 97.32 99.11 4.52e-65 . . . . 16648 1 7 no GB EDT48851 . "putative lipoprotein [Ureaplasma parvum serovar 1 str. ATCC 27813]" . . . . . 92.56 834 97.32 99.11 4.25e-65 . . . . 16648 1 8 no GB EDT49831 . "lipoprotein [Ureaplasma urealyticum serovar 13 str. ATCC 33698]" . . . . . 92.56 834 98.21 100.00 2.69e-65 . . . . 16648 1 9 no PIR B82940 . "conserved hypothetical membrane lipoprotein UU045 [imported] - Ureaplasma urealyticum" . . . . . 92.56 834 100.00 100.00 1.03e-66 . . . . 16648 1 10 no REF WP_004026166 . "membrane protein [Ureaplasma urealyticum]" . . . . . 92.56 834 97.32 99.11 4.52e-65 . . . . 16648 1 11 no REF WP_004026422 . "membrane protein [Ureaplasma urealyticum]" . . . . . 92.56 834 99.11 100.00 7.12e-66 . . . . 16648 1 12 no REF WP_004026736 . "membrane protein [Ureaplasma urealyticum]" . . . . . 92.56 834 99.11 100.00 7.63e-66 . . . . 16648 1 13 no REF WP_004027175 . "membrane protein [Ureaplasma urealyticum]" . . . . . 92.56 834 98.21 100.00 2.69e-65 . . . . 16648 1 14 no REF WP_004027386 . "membrane protein [Ureaplasma urealyticum]" . . . . . 92.56 834 97.32 99.11 2.10e-64 . . . . 16648 1 15 no SP Q9PRA0 . "RecName: Full=Membrane-associated lipoprotein; Flags: Precursor" . . . . . 92.56 834 100.00 100.00 1.03e-66 . . . . 16648 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16648 1 2 . LEU . 16648 1 3 . SER . 16648 1 4 . GLN . 16648 1 5 . ALA . 16648 1 6 . ASN . 16648 1 7 . GLU . 16648 1 8 . ASP . 16648 1 9 . PHE . 16648 1 10 . LYS . 16648 1 11 . LYS . 16648 1 12 . ILE . 16648 1 13 . VAL . 16648 1 14 . ASN . 16648 1 15 . ASN . 16648 1 16 . ILE . 16648 1 17 . ARG . 16648 1 18 . LEU . 16648 1 19 . LYS . 16648 1 20 . ASP . 16648 1 21 . THR . 16648 1 22 . PHE . 16648 1 23 . ASP . 16648 1 24 . PHE . 16648 1 25 . LYS . 16648 1 26 . LEU . 16648 1 27 . ALA . 16648 1 28 . ALA . 16648 1 29 . PHE . 16648 1 30 . PRO . 16648 1 31 . ASN . 16648 1 32 . GLN . 16648 1 33 . ASN . 16648 1 34 . TYR . 16648 1 35 . ASP . 16648 1 36 . GLN . 16648 1 37 . LEU . 16648 1 38 . LEU . 16648 1 39 . PRO . 16648 1 40 . SER . 16648 1 41 . GLN . 16648 1 42 . ILE . 16648 1 43 . TYR . 16648 1 44 . LYS . 16648 1 45 . ASN . 16648 1 46 . TYR . 16648 1 47 . TYR . 16648 1 48 . GLN . 16648 1 49 . GLY . 16648 1 50 . ILE . 16648 1 51 . GLU . 16648 1 52 . ILE . 16648 1 53 . GLN . 16648 1 54 . GLN . 16648 1 55 . HIS . 16648 1 56 . LYS . 16648 1 57 . TYR . 16648 1 58 . GLN . 16648 1 59 . ASN . 16648 1 60 . GLU . 16648 1 61 . LEU . 16648 1 62 . ASP . 16648 1 63 . ILE . 16648 1 64 . LYS . 16648 1 65 . ILE . 16648 1 66 . ILE . 16648 1 67 . ASN . 16648 1 68 . PHE . 16648 1 69 . LEU . 16648 1 70 . TYR . 16648 1 71 . PRO . 16648 1 72 . ASP . 16648 1 73 . GLY . 16648 1 74 . ASP . 16648 1 75 . PHE . 16648 1 76 . GLY . 16648 1 77 . SER . 16648 1 78 . ALA . 16648 1 79 . ASN . 16648 1 80 . LYS . 16648 1 81 . ASN . 16648 1 82 . GLY . 16648 1 83 . THR . 16648 1 84 . LEU . 16648 1 85 . LYS . 16648 1 86 . LEU . 16648 1 87 . SER . 16648 1 88 . LEU . 16648 1 89 . MET . 16648 1 90 . LEU . 16648 1 91 . THR . 16648 1 92 . ASP . 16648 1 93 . LYS . 16648 1 94 . LYS . 16648 1 95 . ASN . 16648 1 96 . ASN . 16648 1 97 . GLN . 16648 1 98 . VAL . 16648 1 99 . TYR . 16648 1 100 . TYR . 16648 1 101 . LYS . 16648 1 102 . LEU . 16648 1 103 . LEU . 16648 1 104 . GLU . 16648 1 105 . VAL . 16648 1 106 . SER . 16648 1 107 . GLY . 16648 1 108 . PHE . 16648 1 109 . LYS . 16648 1 110 . SER . 16648 1 111 . ASN . 16648 1 112 . PRO . 16648 1 113 . TYR . 16648 1 114 . LEU . 16648 1 115 . GLU . 16648 1 116 . HIS . 16648 1 117 . HIS . 16648 1 118 . HIS . 16648 1 119 . HIS . 16648 1 120 . HIS . 16648 1 121 . HIS . 16648 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16648 1 . LEU 2 2 16648 1 . SER 3 3 16648 1 . GLN 4 4 16648 1 . ALA 5 5 16648 1 . ASN 6 6 16648 1 . GLU 7 7 16648 1 . ASP 8 8 16648 1 . PHE 9 9 16648 1 . LYS 10 10 16648 1 . LYS 11 11 16648 1 . ILE 12 12 16648 1 . VAL 13 13 16648 1 . ASN 14 14 16648 1 . ASN 15 15 16648 1 . ILE 16 16 16648 1 . ARG 17 17 16648 1 . LEU 18 18 16648 1 . LYS 19 19 16648 1 . ASP 20 20 16648 1 . THR 21 21 16648 1 . PHE 22 22 16648 1 . ASP 23 23 16648 1 . PHE 24 24 16648 1 . LYS 25 25 16648 1 . LEU 26 26 16648 1 . ALA 27 27 16648 1 . ALA 28 28 16648 1 . PHE 29 29 16648 1 . PRO 30 30 16648 1 . ASN 31 31 16648 1 . GLN 32 32 16648 1 . ASN 33 33 16648 1 . TYR 34 34 16648 1 . ASP 35 35 16648 1 . GLN 36 36 16648 1 . LEU 37 37 16648 1 . LEU 38 38 16648 1 . PRO 39 39 16648 1 . SER 40 40 16648 1 . GLN 41 41 16648 1 . ILE 42 42 16648 1 . TYR 43 43 16648 1 . LYS 44 44 16648 1 . ASN 45 45 16648 1 . TYR 46 46 16648 1 . TYR 47 47 16648 1 . GLN 48 48 16648 1 . GLY 49 49 16648 1 . ILE 50 50 16648 1 . GLU 51 51 16648 1 . ILE 52 52 16648 1 . GLN 53 53 16648 1 . GLN 54 54 16648 1 . HIS 55 55 16648 1 . LYS 56 56 16648 1 . TYR 57 57 16648 1 . GLN 58 58 16648 1 . ASN 59 59 16648 1 . GLU 60 60 16648 1 . LEU 61 61 16648 1 . ASP 62 62 16648 1 . ILE 63 63 16648 1 . LYS 64 64 16648 1 . ILE 65 65 16648 1 . ILE 66 66 16648 1 . ASN 67 67 16648 1 . PHE 68 68 16648 1 . LEU 69 69 16648 1 . TYR 70 70 16648 1 . PRO 71 71 16648 1 . ASP 72 72 16648 1 . GLY 73 73 16648 1 . ASP 74 74 16648 1 . PHE 75 75 16648 1 . GLY 76 76 16648 1 . SER 77 77 16648 1 . ALA 78 78 16648 1 . ASN 79 79 16648 1 . LYS 80 80 16648 1 . ASN 81 81 16648 1 . GLY 82 82 16648 1 . THR 83 83 16648 1 . LEU 84 84 16648 1 . LYS 85 85 16648 1 . LEU 86 86 16648 1 . SER 87 87 16648 1 . LEU 88 88 16648 1 . MET 89 89 16648 1 . LEU 90 90 16648 1 . THR 91 91 16648 1 . ASP 92 92 16648 1 . LYS 93 93 16648 1 . LYS 94 94 16648 1 . ASN 95 95 16648 1 . ASN 96 96 16648 1 . GLN 97 97 16648 1 . VAL 98 98 16648 1 . TYR 99 99 16648 1 . TYR 100 100 16648 1 . LYS 101 101 16648 1 . LEU 102 102 16648 1 . LEU 103 103 16648 1 . GLU 104 104 16648 1 . VAL 105 105 16648 1 . SER 106 106 16648 1 . GLY 107 107 16648 1 . PHE 108 108 16648 1 . LYS 109 109 16648 1 . SER 110 110 16648 1 . ASN 111 111 16648 1 . PRO 112 112 16648 1 . TYR 113 113 16648 1 . LEU 114 114 16648 1 . GLU 115 115 16648 1 . HIS 116 116 16648 1 . HIS 117 117 16648 1 . HIS 118 118 16648 1 . HIS 119 119 16648 1 . HIS 120 120 16648 1 . HIS 121 121 16648 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 16648 _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 $UuR17A_Lipoprotein . 134821 organism . 'Ureaplasma parvum' 'Ureaplasma parvum' . . Bacteria . Ureaplasma parvum . . . . . . . . . . . . . . . . UU045 . . . . 16648 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 16648 _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 $UuR17A_Lipoprotein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)+ Magic' . . . . . . . . . . . . vector . . 'pET 21-23C' . . . . . . 16648 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16648 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.91mM, 5%D2O, 0.02% NaN3, 100mM DDT, 5mM CaCl2, 10mM NaCl, 20mM MES, pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'UuR17A, Lipoprotein' '[U-100% 13C; U-100% 15N]' . . 1 $UuR17A_Lipoprotein . . 0.91 . . mM 0.2 . . . 16648 1 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16648 1 3 DDT 'natural abundance' . . . . . . 100 . . mM . . . . 16648 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16648 1 5 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 16648 1 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16648 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16648 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.91mM, 5%D2O, 0.02% NaN3, 100mM DDT, 5mM CaCl2, 10mM NaCl, 20mM MES, pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'UuR17A, Lipoprotein' '[U-100% 13C; U-100% 15N]' . . 1 $UuR17A_Lipoprotein . . 0.91 . . mM 0.2 . . . 16648 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16648 2 3 DDT 'natural abundance' . . . . . . 100 . . mM . . . . 16648 2 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16648 2 5 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 16648 2 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16648 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16648 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7mM, 5%D2O, 0.02% NaN3, 100mM DDT, 5mM CaCl2, 10mM NaCl, 20mM MES, pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'UuR17A, Lipoprotein' '[U-10% 13C; U-99% 15N]' . . 1 $UuR17A_Lipoprotein . . 0.7 . . mM 0.2 . . . 16648 3 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16648 3 3 DDT 'natural abundance' . . . . . . 100 . . mM . . . . 16648 3 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16648 3 5 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 16648 3 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16648 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16648 _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' 15 . mM 16648 1 pH 6.5 . pH 16648 1 pressure 1 . atm 16648 1 temperature 298 . K 16648 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16648 _Software.ID 1 _Software.Name CNS _Software.Version 2.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16648 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16648 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16648 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16648 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16648 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16648 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16648 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16648 3 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 16648 _Software.ID 4 _Software.Name PINE _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 16648 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16648 4 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16648 _Software.ID 5 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16648 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16648 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 16648 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16648 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16648 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16648 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Spectrometer_1 Bruker Avance . 800 . . . 16648 1 2 Spectrometer_2 Varian INOVA . 600 . . . 16648 1 3 Spectrometer_3 Varian INOVA . 500 . . . 16648 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 16648 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16648 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16648 1 3 '3D 1H-15N/13C simultaneous NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16648 1 4 '3D 1H-13C arom NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16648 1 5 '2D 1H-15N HSQC' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16648 1 6 '2D 1H-13C HSQC' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16648 1 7 '3D CBCA(CO)NH' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16648 1 8 '3D HBHA(CO)NH' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16648 1 9 '3D HNCO' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16648 1 10 '3D HNCA' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16648 1 11 '3D HNCACB' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16648 1 12 '(4,3)D GFT-CBCACACONHN' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16648 1 13 '(4,3)D GFT-HNNCABCA' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16648 1 14 '3D CCH-TOCSY' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16648 1 15 '3D HCCH TOCSY' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16648 1 16 '3D CCCONH TOCSY' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16648 1 17 '3D HNHA' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16648 1 18 'Het NOE sat' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16648 1 19 'Het NOE no sat' yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16648 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_NHSQC_B800/ . . . . . . . 16648 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_NHSQC_B800/ . . . . . . . 16648 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_NHSQC_B800/ . . . . . . . 16648 1 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_NHSQC_B800/ . . . . . . . 16648 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CHSQC_B800/ . . . . . . . 16648 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CHSQC_B800/ . . . . . . . 16648 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CHSQC_B800/ . . . . . . . 16648 2 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CHSQC_B800/ . . . . . . . 16648 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 1H-15N/13C simultaneous NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_simuNOESY_B800/ . . . . . . . 16648 3 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_simuNOESY_B800/ . . . . . . . 16648 3 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_simuNOESY_B800/ . . . . . . . 16648 3 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_simuNOESY_B800/ . . . . . . . 16648 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 1H-13C arom NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_aromnoesy_B800/ . . . . . . . 16648 4 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_aromnoesy_B800/ . . . . . . . 16648 4 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_aromnoesy_B800/ . . . . . . . 16648 4 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_aromnoesy_B800/ . . . . . . . 16648 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_NHSQC_V600.fid/ . . . . . . . 16648 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_NHSQC_V600.fid/ . . . . . . . 16648 5 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_NHSQC_V600.fid/ . . . . . . . 16648 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CHSQC_V600.fid/ . . . . . . . 16648 6 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CHSQC_V600.fid/ . . . . . . . 16648 6 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CHSQC_V600.fid/ . . . . . . . 16648 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CBCACONH_V600.fid/ . . . . . . . 16648 7 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CBCACONH_V600.fid/ . . . . . . . 16648 7 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CBCACONH_V600.fid/ . . . . . . . 16648 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HBHACONH_V600.fid/ . . . . . . . 16648 8 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HBHACONH_V600.fid/ . . . . . . . 16648 8 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HBHACONH_V600.fid/ . . . . . . . 16648 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HNCO_V600.fid/ . . . . . . . 16648 9 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HNCO_V600.fid/ . . . . . . . 16648 9 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HNCO_V600.fid/ . . . . . . . 16648 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HNCA_V600.fid/ . . . . . . . 16648 10 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HNCA_V600.fid/ . . . . . . . 16648 10 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HNCA_V600.fid/ . . . . . . . 16648 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HNCACB_V600.fid/ . . . . . . . 16648 11 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HNCACB_V600.fid/ . . . . . . . 16648 11 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HNCACB_V600.fid/ . . . . . . . 16648 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '(4,3)D GFT-CBCACACONHN' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_GFTCBCACACONHN/UuR17A020NC_GFTCBCACACONHN_25deg_V600_0823509.fid/ . . . . . . . 16648 12 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_GFTCBCACACONHN/UuR17A020NC_GFTCBCACACONHN_25deg_V600_0823509.fid/ . . . . . . . 16648 12 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_GFTCBCACACONHN/UuR17A020NC_GFTCBCACACONHN_25deg_V600_0823509.fid/ . . . . . . . 16648 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '(4,3)D GFT-HNNCABCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_GFTHNCACBCA/UuR17A020NC_GFTHNCACBCA_25deg_V600.fid/ . . . . . . . 16648 13 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_GFTHNCACBCA/UuR17A020NC_GFTHNCACBCA_25deg_V600.fid/ . . . . . . . 16648 13 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_GFTHNCACBCA/UuR17A020NC_GFTHNCACBCA_25deg_V600.fid/ . . . . . . . 16648 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D CCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CCHtocsy_V600.fid/ . . . . . . . 16648 14 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CCHtocsy_V600.fid/ . . . . . . . 16648 14 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CCHtocsy_V600.fid/ . . . . . . . 16648 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HCCHtocsy_V600.fid/ . . . . . . . 16648 15 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HCCHtocsy_V600.fid/ . . . . . . . 16648 15 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_HCCHtocsy_V600.fid/ . . . . . . . 16648 15 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D CCCONH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CCONHtocsy_V600.fid/ . . . . . . . 16648 16 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CCONHtocsy_V600.fid/ . . . . . . . 16648 16 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC_CCONHtocsy_V600.fid/ . . . . . . . 16648 16 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC5_HNHA_V500.fid/ . . . . . . . 16648 17 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC5_HNHA_V500.fid/ . . . . . . . 16648 17 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17ANC5_HNHA_V500.fid/ . . . . . . . 16648 17 stop_ save_ save_NMR_spectrometer_expt_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name 'Het NOE sat' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17A_HNOE_sat_V500.fid/ . . . . . . . 16648 18 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17A_HNOE_sat_V500.fid/ . . . . . . . 16648 18 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17A_HNOE_sat_V500.fid/ . . . . . . . 16648 18 stop_ save_ save_NMR_spectrometer_expt_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_19 _NMR_spec_expt.Entry_ID 16648 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name 'Het NOE no sat' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17A_HNOE_nosat_V500.fid/ . . . . . . . 16648 19 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17A_HNOE_nosat_V500.fid/ . . . . . . . 16648 19 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16648/timedomain_data/UuR17A_FID/UuR17A_HNOE_nosat_V500.fid/ . . . . . . . 16648 19 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16648 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Internal DSS was used to reference the proton spectrum' 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 external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16648 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . 1 $entry_citation . . 1 $entry_citation 16648 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16648 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16648 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16648 1 2 '2D 1H-13C HSQC' . . . 16648 1 3 '3D 1H-15N/13C simultaneous NOESY' . . . 16648 1 4 '3D 1H-13C arom NOESY' . . . 16648 1 5 '2D 1H-15N HSQC' . . . 16648 1 6 '2D 1H-13C HSQC' . . . 16648 1 7 '3D CBCA(CO)NH' . . . 16648 1 8 '3D HBHA(CO)NH' . . . 16648 1 9 '3D HNCO' . . . 16648 1 10 '3D HNCA' . . . 16648 1 11 '3D HNCACB' . . . 16648 1 12 '(4,3)D GFT-CBCACACONHN' . . . 16648 1 13 '(4,3)D GFT-HNNCABCA' . . . 16648 1 14 '3D CCH-TOCSY' . . . 16648 1 15 '3D HCCH TOCSY' . . . 16648 1 16 '3D CCCONH TOCSY' . . . 16648 1 17 '3D HNHA' . . . 16648 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 LEU HA H 1 4.388 0.06 . 1 . . . . 2 Leu HA . 16648 1 2 . 1 1 2 2 LEU HB2 H 1 1.667 0.06 . 2 . . . . 2 Leu HB2 . 16648 1 3 . 1 1 2 2 LEU HB3 H 1 1.667 0.06 . 2 . . . . 2 Leu HB3 . 16648 1 4 . 1 1 2 2 LEU HD11 H 1 0.887 0.06 . 2 . . . . 2 Leu HD1 . 16648 1 5 . 1 1 2 2 LEU HD12 H 1 0.887 0.06 . 2 . . . . 2 Leu HD1 . 16648 1 6 . 1 1 2 2 LEU HD13 H 1 0.887 0.06 . 2 . . . . 2 Leu HD1 . 16648 1 7 . 1 1 2 2 LEU HD21 H 1 0.887 0.06 . 2 . . . . 2 Leu HD2 . 16648 1 8 . 1 1 2 2 LEU HD22 H 1 0.887 0.06 . 2 . . . . 2 Leu HD2 . 16648 1 9 . 1 1 2 2 LEU HD23 H 1 0.887 0.06 . 2 . . . . 2 Leu HD2 . 16648 1 10 . 1 1 2 2 LEU HG H 1 1.654 0.06 . 1 . . . . 2 Leu HG . 16648 1 11 . 1 1 2 2 LEU C C 13 176.516 0.6 . 1 . . . . 2 Leu C . 16648 1 12 . 1 1 2 2 LEU CA C 13 55.855 0.6 . 1 . . . . 2 Leu CA . 16648 1 13 . 1 1 2 2 LEU CB C 13 42.324 0.6 . 1 . . . . 2 Leu CB . 16648 1 14 . 1 1 2 2 LEU CD1 C 13 24.129 0.6 . 2 . . . . 2 Leu CD1 . 16648 1 15 . 1 1 2 2 LEU CD2 C 13 24.129 0.6 . 2 . . . . 2 Leu CD2 . 16648 1 16 . 1 1 2 2 LEU CG C 13 27.180 0.6 . 1 . . . . 2 Leu CG . 16648 1 17 . 1 1 3 3 SER H H 1 8.479 0.06 . 1 . . . . 3 Ser H . 16648 1 18 . 1 1 3 3 SER HA H 1 4.39 0.06 . 1 . . . . 3 Ser HA . 16648 1 19 . 1 1 3 3 SER HB2 H 1 3.947 0.06 . 2 . . . . 3 Ser HB2 . 16648 1 20 . 1 1 3 3 SER HB3 H 1 3.894 0.06 . 2 . . . . 3 Ser HB3 . 16648 1 21 . 1 1 3 3 SER C C 13 174.803 0.6 . 1 . . . . 3 Ser C . 16648 1 22 . 1 1 3 3 SER CA C 13 58.759 0.6 . 1 . . . . 3 Ser CA . 16648 1 23 . 1 1 3 3 SER CB C 13 63.569 0.6 . 1 . . . . 3 Ser CB . 16648 1 24 . 1 1 3 3 SER N N 15 116.589 0.6 . 1 . . . . 3 Ser N . 16648 1 25 . 1 1 4 4 GLN H H 1 8.45 0.06 . 1 . . . . 4 Gln H . 16648 1 26 . 1 1 4 4 GLN HA H 1 4.369 0.06 . 1 . . . . 4 Gln HA . 16648 1 27 . 1 1 4 4 GLN HB2 H 1 2.194 0.06 . 2 . . . . 4 Gln HB2 . 16648 1 28 . 1 1 4 4 GLN HB3 H 1 2.057 0.06 . 2 . . . . 4 Gln HB3 . 16648 1 29 . 1 1 4 4 GLN HG2 H 1 2.397 0.06 . 2 . . . . 4 Gln HG2 . 16648 1 30 . 1 1 4 4 GLN HG3 H 1 2.397 0.06 . 2 . . . . 4 Gln HG3 . 16648 1 31 . 1 1 4 4 GLN C C 13 175.893 0.6 . 1 . . . . 4 Gln C . 16648 1 32 . 1 1 4 4 GLN CA C 13 55.873 0.6 . 1 . . . . 4 Gln CA . 16648 1 33 . 1 1 4 4 GLN CB C 13 29.416 0.6 . 1 . . . . 4 Gln CB . 16648 1 34 . 1 1 4 4 GLN CG C 13 33.98 0.6 . 1 . . . . 4 Gln CG . 16648 1 35 . 1 1 4 4 GLN N N 15 122.337 0.6 . 1 . . . . 4 Gln N . 16648 1 36 . 1 1 5 5 ALA H H 1 8.258 0.06 . 1 . . . . 5 Ala H . 16648 1 37 . 1 1 5 5 ALA HA H 1 4.303 0.06 . 1 . . . . 5 Ala HA . 16648 1 38 . 1 1 5 5 ALA HB1 H 1 1.380 0.06 . 1 . . . . 5 Ala HB . 16648 1 39 . 1 1 5 5 ALA HB2 H 1 1.380 0.06 . 1 . . . . 5 Ala HB . 16648 1 40 . 1 1 5 5 ALA HB3 H 1 1.380 0.06 . 1 . . . . 5 Ala HB . 16648 1 41 . 1 1 5 5 ALA C C 13 177.117 0.6 . 1 . . . . 5 Ala C . 16648 1 42 . 1 1 5 5 ALA CA C 13 52.978 0.6 . 1 . . . . 5 Ala CA . 16648 1 43 . 1 1 5 5 ALA CB C 13 19.345 0.6 . 1 . . . . 5 Ala CB . 16648 1 44 . 1 1 5 5 ALA N N 15 124.044 0.6 . 1 . . . . 5 Ala N . 16648 1 45 . 1 1 6 6 ASN H H 1 8.412 0.06 . 1 . . . . 6 Asn H . 16648 1 46 . 1 1 6 6 ASN HA H 1 4.703 0.06 . 1 . . . . 6 Asn HA . 16648 1 47 . 1 1 6 6 ASN HB2 H 1 2.91 0.06 . 2 . . . . 6 Asn HB2 . 16648 1 48 . 1 1 6 6 ASN HB3 H 1 2.91 0.06 . 2 . . . . 6 Asn HB3 . 16648 1 49 . 1 1 6 6 ASN HD21 H 1 7.83 0.06 . 2 . . . . 6 Asn HD21 . 16648 1 50 . 1 1 6 6 ASN HD22 H 1 7.12 0.06 . 2 . . . . 6 Asn HD22 . 16648 1 51 . 1 1 6 6 ASN C C 13 176.078 0.6 . 1 . . . . 6 Asn C . 16648 1 52 . 1 1 6 6 ASN CA C 13 53.770 0.6 . 1 . . . . 6 Asn CA . 16648 1 53 . 1 1 6 6 ASN CB C 13 39.022 0.6 . 1 . . . . 6 Asn CB . 16648 1 54 . 1 1 6 6 ASN N N 15 118.107 0.6 . 1 . . . . 6 Asn N . 16648 1 55 . 1 1 6 6 ASN ND2 N 15 113.5 0.6 . 1 . . . . 6 Asn ND2 . 16648 1 56 . 1 1 7 7 GLU H H 1 8.587 0.06 . 1 . . . . 7 Glu H . 16648 1 57 . 1 1 7 7 GLU HA H 1 4.067 0.06 . 1 . . . . 7 Glu HA . 16648 1 58 . 1 1 7 7 GLU HB2 H 1 2.08 0.06 . 2 . . . . 7 Glu HB2 . 16648 1 59 . 1 1 7 7 GLU HB3 H 1 2.08 0.06 . 2 . . . . 7 Glu HB3 . 16648 1 60 . 1 1 7 7 GLU HG2 H 1 2.337 0.06 . 2 . . . . 7 Glu HG2 . 16648 1 61 . 1 1 7 7 GLU HG3 H 1 2.337 0.06 . 2 . . . . 7 Glu HG3 . 16648 1 62 . 1 1 7 7 GLU C C 13 177.858 0.6 . 1 . . . . 7 Glu C . 16648 1 63 . 1 1 7 7 GLU CA C 13 58.511 0.6 . 1 . . . . 7 Glu CA . 16648 1 64 . 1 1 7 7 GLU CB C 13 30.464 0.6 . 1 . . . . 7 Glu CB . 16648 1 65 . 1 1 7 7 GLU CG C 13 36.182 0.6 . 1 . . . . 7 Glu CG . 16648 1 66 . 1 1 7 7 GLU N N 15 121.910 0.6 . 1 . . . . 7 Glu N . 16648 1 67 . 1 1 8 8 ASP H H 1 8.455 0.06 . 1 . . . . 8 Asp H . 16648 1 68 . 1 1 8 8 ASP HA H 1 4.411 0.06 . 1 . . . . 8 Asp HA . 16648 1 69 . 1 1 8 8 ASP HB2 H 1 2.744 0.06 . 2 . . . . 8 Asp HB2 . 16648 1 70 . 1 1 8 8 ASP HB3 H 1 2.683 0.06 . 2 . . . . 8 Asp HB3 . 16648 1 71 . 1 1 8 8 ASP C C 13 178.135 0.6 . 1 . . . . 8 Asp C . 16648 1 72 . 1 1 8 8 ASP CA C 13 56.369 0.6 . 1 . . . . 8 Asp CA . 16648 1 73 . 1 1 8 8 ASP CB C 13 40.273 0.6 . 1 . . . . 8 Asp CB . 16648 1 74 . 1 1 8 8 ASP N N 15 120.117 0.6 . 1 . . . . 8 Asp N . 16648 1 75 . 1 1 9 9 PHE H H 1 8.255 0.06 . 1 . . . . 9 Phe H . 16648 1 76 . 1 1 9 9 PHE HA H 1 4.003 0.06 . 1 . . . . 9 Phe HA . 16648 1 77 . 1 1 9 9 PHE HB2 H 1 3.208 0.06 . 2 . . . . 9 Phe HB2 . 16648 1 78 . 1 1 9 9 PHE HB3 H 1 2.806 0.06 . 2 . . . . 9 Phe HB3 . 16648 1 79 . 1 1 9 9 PHE HD1 H 1 6.81 0.06 . 3 . . . . 9 Phe HD1 . 16648 1 80 . 1 1 9 9 PHE HD2 H 1 6.81 0.06 . 3 . . . . 9 Phe HD2 . 16648 1 81 . 1 1 9 9 PHE HE1 H 1 7.207 0.06 . 3 . . . . 9 Phe HE1 . 16648 1 82 . 1 1 9 9 PHE HE2 H 1 7.207 0.06 . 3 . . . . 9 Phe HE2 . 16648 1 83 . 1 1 9 9 PHE C C 13 176.995 0.6 . 1 . . . . 9 Phe C . 16648 1 84 . 1 1 9 9 PHE CA C 13 61.979 0.6 . 1 . . . . 9 Phe CA . 16648 1 85 . 1 1 9 9 PHE CB C 13 39.473 0.6 . 1 . . . . 9 Phe CB . 16648 1 86 . 1 1 9 9 PHE CD1 C 13 131.9 0.6 . 3 . . . . 9 Phe CD1 . 16648 1 87 . 1 1 9 9 PHE CD2 C 13 132.1 0.6 . 3 . . . . 9 Phe CD2 . 16648 1 88 . 1 1 9 9 PHE CE1 C 13 130.9 0.6 . 3 . . . . 9 Phe CE1 . 16648 1 89 . 1 1 9 9 PHE CE2 C 13 130.9 0.6 . 3 . . . . 9 Phe CE2 . 16648 1 90 . 1 1 9 9 PHE N N 15 123.288 0.6 . 1 . . . . 9 Phe N . 16648 1 91 . 1 1 10 10 LYS H H 1 8.067 0.06 . 1 . . . . 10 Lys H . 16648 1 92 . 1 1 10 10 LYS HA H 1 3.495 0.06 . 1 . . . . 10 Lys HA . 16648 1 93 . 1 1 10 10 LYS HB2 H 1 1.818 0.06 . 2 . . . . 10 Lys HB2 . 16648 1 94 . 1 1 10 10 LYS HB3 H 1 1.754 0.06 . 2 . . . . 10 Lys HB3 . 16648 1 95 . 1 1 10 10 LYS HD2 H 1 1.678 0.06 . 2 . . . . 10 Lys HD2 . 16648 1 96 . 1 1 10 10 LYS HD3 H 1 1.678 0.06 . 2 . . . . 10 Lys HD3 . 16648 1 97 . 1 1 10 10 LYS HG2 H 1 1.551 0.06 . 2 . . . . 10 Lys HG2 . 16648 1 98 . 1 1 10 10 LYS HG3 H 1 1.323 0.06 . 2 . . . . 10 Lys HG3 . 16648 1 99 . 1 1 10 10 LYS C C 13 178.210 0.6 . 1 . . . . 10 Lys C . 16648 1 100 . 1 1 10 10 LYS CA C 13 59.89 0.6 . 1 . . . . 10 Lys CA . 16648 1 101 . 1 1 10 10 LYS CB C 13 31.882 0.6 . 1 . . . . 10 Lys CB . 16648 1 102 . 1 1 10 10 LYS CD C 13 29.55 0.6 . 1 . . . . 10 Lys CD . 16648 1 103 . 1 1 10 10 LYS CE C 13 42.177 0.6 . 1 . . . . 10 Lys CE . 16648 1 104 . 1 1 10 10 LYS CG C 13 25.46 0.6 . 1 . . . . 10 Lys CG . 16648 1 105 . 1 1 10 10 LYS N N 15 117.587 0.6 . 1 . . . . 10 Lys N . 16648 1 106 . 1 1 11 11 LYS H H 1 7.387 0.06 . 1 . . . . 11 Lys H . 16648 1 107 . 1 1 11 11 LYS HA H 1 3.899 0.06 . 1 . . . . 11 Lys HA . 16648 1 108 . 1 1 11 11 LYS HB2 H 1 1.83 0.06 . 2 . . . . 11 Lys HB2 . 16648 1 109 . 1 1 11 11 LYS HB3 H 1 1.83 0.06 . 2 . . . . 11 Lys HB3 . 16648 1 110 . 1 1 11 11 LYS HD2 H 1 1.7 0.06 . 2 . . . . 11 Lys HD2 . 16648 1 111 . 1 1 11 11 LYS HD3 H 1 1.7 0.06 . 2 . . . . 11 Lys HD3 . 16648 1 112 . 1 1 11 11 LYS HG2 H 1 1.54 0.06 . 2 . . . . 11 Lys HG2 . 16648 1 113 . 1 1 11 11 LYS HG3 H 1 1.347 0.06 . 2 . . . . 11 Lys HG3 . 16648 1 114 . 1 1 11 11 LYS C C 13 178.820 0.6 . 1 . . . . 11 Lys C . 16648 1 115 . 1 1 11 11 LYS CA C 13 59.35 0.6 . 1 . . . . 11 Lys CA . 16648 1 116 . 1 1 11 11 LYS CB C 13 32.224 0.6 . 1 . . . . 11 Lys CB . 16648 1 117 . 1 1 11 11 LYS CD C 13 29.455 0.6 . 1 . . . . 11 Lys CD . 16648 1 118 . 1 1 11 11 LYS CE C 13 42.134 0.6 . 1 . . . . 11 Lys CE . 16648 1 119 . 1 1 11 11 LYS CG C 13 25.394 0.6 . 1 . . . . 11 Lys CG . 16648 1 120 . 1 1 11 11 LYS N N 15 117.271 0.6 . 1 . . . . 11 Lys N . 16648 1 121 . 1 1 12 12 ILE H H 1 6.970 0.06 . 1 . . . . 12 Ile H . 16648 1 122 . 1 1 12 12 ILE HA H 1 3.166 0.06 . 1 . . . . 12 Ile HA . 16648 1 123 . 1 1 12 12 ILE HB H 1 1.277 0.06 . 1 . . . . 12 Ile HB . 16648 1 124 . 1 1 12 12 ILE HD11 H 1 0.455 0.06 . 1 . . . . 12 Ile HD1 . 16648 1 125 . 1 1 12 12 ILE HD12 H 1 0.455 0.06 . 1 . . . . 12 Ile HD1 . 16648 1 126 . 1 1 12 12 ILE HD13 H 1 0.455 0.06 . 1 . . . . 12 Ile HD1 . 16648 1 127 . 1 1 12 12 ILE HG12 H 1 1.304 0.06 . 2 . . . . 12 Ile HG12 . 16648 1 128 . 1 1 12 12 ILE HG13 H 1 0.128 0.06 . 2 . . . . 12 Ile HG13 . 16648 1 129 . 1 1 12 12 ILE HG21 H 1 -0.08 0.06 . 1 . . . . 12 Ile HG2 . 16648 1 130 . 1 1 12 12 ILE HG22 H 1 -0.08 0.06 . 1 . . . . 12 Ile HG2 . 16648 1 131 . 1 1 12 12 ILE HG23 H 1 -0.08 0.06 . 1 . . . . 12 Ile HG2 . 16648 1 132 . 1 1 12 12 ILE C C 13 178.350 0.6 . 1 . . . . 12 Ile C . 16648 1 133 . 1 1 12 12 ILE CA C 13 65.22 0.6 . 1 . . . . 12 Ile CA . 16648 1 134 . 1 1 12 12 ILE CB C 13 36.951 0.6 . 1 . . . . 12 Ile CB . 16648 1 135 . 1 1 12 12 ILE CD1 C 13 13.357 0.6 . 1 . . . . 12 Ile CD1 . 16648 1 136 . 1 1 12 12 ILE CG1 C 13 27.82 0.6 . 1 . . . . 12 Ile CG1 . 16648 1 137 . 1 1 12 12 ILE CG2 C 13 16.2 0.6 . 1 . . . . 12 Ile CG2 . 16648 1 138 . 1 1 12 12 ILE N N 15 119.214 0.6 . 1 . . . . 12 Ile N . 16648 1 139 . 1 1 13 13 VAL H H 1 7.504 0.06 . 1 . . . . 13 Val H . 16648 1 140 . 1 1 13 13 VAL HA H 1 3.072 0.06 . 1 . . . . 13 Val HA . 16648 1 141 . 1 1 13 13 VAL HB H 1 1.676 0.06 . 1 . . . . 13 Val HB . 16648 1 142 . 1 1 13 13 VAL HG11 H 1 0.231 0.06 . 2 . . . . 13 Val HG1 . 16648 1 143 . 1 1 13 13 VAL HG12 H 1 0.231 0.06 . 2 . . . . 13 Val HG1 . 16648 1 144 . 1 1 13 13 VAL HG13 H 1 0.231 0.06 . 2 . . . . 13 Val HG1 . 16648 1 145 . 1 1 13 13 VAL HG21 H 1 0.583 0.06 . 2 . . . . 13 Val HG2 . 16648 1 146 . 1 1 13 13 VAL HG22 H 1 0.583 0.06 . 2 . . . . 13 Val HG2 . 16648 1 147 . 1 1 13 13 VAL HG23 H 1 0.583 0.06 . 2 . . . . 13 Val HG2 . 16648 1 148 . 1 1 13 13 VAL C C 13 177.926 0.6 . 1 . . . . 13 Val C . 16648 1 149 . 1 1 13 13 VAL CA C 13 65.935 0.6 . 1 . . . . 13 Val CA . 16648 1 150 . 1 1 13 13 VAL CB C 13 31.131 0.6 . 1 . . . . 13 Val CB . 16648 1 151 . 1 1 13 13 VAL CG1 C 13 23.019 0.6 . 2 . . . . 13 Val CG1 . 16648 1 152 . 1 1 13 13 VAL CG2 C 13 21.624 0.6 . 2 . . . . 13 Val CG2 . 16648 1 153 . 1 1 13 13 VAL N N 15 117.420 0.6 . 1 . . . . 13 Val N . 16648 1 154 . 1 1 14 14 ASN H H 1 7.84 0.06 . 1 . . . . 14 Asn H . 16648 1 155 . 1 1 14 14 ASN HA H 1 4.426 0.06 . 1 . . . . 14 Asn HA . 16648 1 156 . 1 1 14 14 ASN HB2 H 1 2.819 0.06 . 2 . . . . 14 Asn HB2 . 16648 1 157 . 1 1 14 14 ASN HB3 H 1 2.722 0.06 . 2 . . . . 14 Asn HB3 . 16648 1 158 . 1 1 14 14 ASN HD21 H 1 7.52 0.06 . 2 . . . . 14 Asn HD21 . 16648 1 159 . 1 1 14 14 ASN HD22 H 1 6.88 0.06 . 2 . . . . 14 Asn HD22 . 16648 1 160 . 1 1 14 14 ASN C C 13 175.757 0.6 . 1 . . . . 14 Asn C . 16648 1 161 . 1 1 14 14 ASN CA C 13 54.893 0.6 . 1 . . . . 14 Asn CA . 16648 1 162 . 1 1 14 14 ASN CB C 13 38.457 0.6 . 1 . . . . 14 Asn CB . 16648 1 163 . 1 1 14 14 ASN N N 15 115.865 0.6 . 1 . . . . 14 Asn N . 16648 1 164 . 1 1 14 14 ASN ND2 N 15 112.5 0.6 . 1 . . . . 14 Asn ND2 . 16648 1 165 . 1 1 15 15 ASN H H 1 7.613 0.06 . 1 . . . . 15 Asn H . 16648 1 166 . 1 1 15 15 ASN HA H 1 4.873 0.06 . 1 . . . . 15 Asn HA . 16648 1 167 . 1 1 15 15 ASN HB2 H 1 2.987 0.06 . 2 . . . . 15 Asn HB2 . 16648 1 168 . 1 1 15 15 ASN HB3 H 1 2.689 0.06 . 2 . . . . 15 Asn HB3 . 16648 1 169 . 1 1 15 15 ASN HD21 H 1 7.59 0.06 . 2 . . . . 15 Asn HD21 . 16648 1 170 . 1 1 15 15 ASN HD22 H 1 6.99 0.06 . 2 . . . . 15 Asn HD22 . 16648 1 171 . 1 1 15 15 ASN C C 13 174.765 0.6 . 1 . . . . 15 Asn C . 16648 1 172 . 1 1 15 15 ASN CA C 13 53.041 0.6 . 1 . . . . 15 Asn CA . 16648 1 173 . 1 1 15 15 ASN CB C 13 40.315 0.6 . 1 . . . . 15 Asn CB . 16648 1 174 . 1 1 15 15 ASN N N 15 117.294 0.6 . 1 . . . . 15 Asn N . 16648 1 175 . 1 1 15 15 ASN ND2 N 15 113.5 0.6 . 1 . . . . 15 Asn ND2 . 16648 1 176 . 1 1 16 16 ILE H H 1 7.152 0.06 . 1 . . . . 16 Ile H . 16648 1 177 . 1 1 16 16 ILE HA H 1 4.178 0.06 . 1 . . . . 16 Ile HA . 16648 1 178 . 1 1 16 16 ILE HB H 1 1.722 0.06 . 1 . . . . 16 Ile HB . 16648 1 179 . 1 1 16 16 ILE HD11 H 1 0.702 0.06 . 1 . . . . 16 Ile HD1 . 16648 1 180 . 1 1 16 16 ILE HD12 H 1 0.702 0.06 . 1 . . . . 16 Ile HD1 . 16648 1 181 . 1 1 16 16 ILE HD13 H 1 0.702 0.06 . 1 . . . . 16 Ile HD1 . 16648 1 182 . 1 1 16 16 ILE HG12 H 1 1.991 0.06 . 2 . . . . 16 Ile HG12 . 16648 1 183 . 1 1 16 16 ILE HG13 H 1 1.005 0.06 . 2 . . . . 16 Ile HG13 . 16648 1 184 . 1 1 16 16 ILE HG21 H 1 0.854 0.06 . 1 . . . . 16 Ile HG2 . 16648 1 185 . 1 1 16 16 ILE HG22 H 1 0.854 0.06 . 1 . . . . 16 Ile HG2 . 16648 1 186 . 1 1 16 16 ILE HG23 H 1 0.854 0.06 . 1 . . . . 16 Ile HG2 . 16648 1 187 . 1 1 16 16 ILE C C 13 175.531 0.6 . 1 . . . . 16 Ile C . 16648 1 188 . 1 1 16 16 ILE CA C 13 62.731 0.6 . 1 . . . . 16 Ile CA . 16648 1 189 . 1 1 16 16 ILE CB C 13 38.129 0.6 . 1 . . . . 16 Ile CB . 16648 1 190 . 1 1 16 16 ILE CD1 C 13 15.766 0.6 . 1 . . . . 16 Ile CD1 . 16648 1 191 . 1 1 16 16 ILE CG1 C 13 27.588 0.6 . 1 . . . . 16 Ile CG1 . 16648 1 192 . 1 1 16 16 ILE CG2 C 13 17.534 0.6 . 1 . . . . 16 Ile CG2 . 16648 1 193 . 1 1 16 16 ILE N N 15 120.310 0.6 . 1 . . . . 16 Ile N . 16648 1 194 . 1 1 17 17 ARG H H 1 8.620 0.06 . 1 . . . . 17 Arg H . 16648 1 195 . 1 1 17 17 ARG HA H 1 4.788 0.06 . 1 . . . . 17 Arg HA . 16648 1 196 . 1 1 17 17 ARG HB2 H 1 2.043 0.06 . 2 . . . . 17 Arg HB2 . 16648 1 197 . 1 1 17 17 ARG HB3 H 1 1.805 0.06 . 2 . . . . 17 Arg HB3 . 16648 1 198 . 1 1 17 17 ARG HD2 H 1 3.265 0.06 . 2 . . . . 17 Arg HD2 . 16648 1 199 . 1 1 17 17 ARG HD3 H 1 3.398 0.06 . 2 . . . . 17 Arg HD3 . 16648 1 200 . 1 1 17 17 ARG HG2 H 1 1.762 0.06 . 2 . . . . 17 Arg HG2 . 16648 1 201 . 1 1 17 17 ARG HG3 H 1 1.711 0.06 . 2 . . . . 17 Arg HG3 . 16648 1 202 . 1 1 17 17 ARG C C 13 176.682 0.6 . 1 . . . . 17 Arg C . 16648 1 203 . 1 1 17 17 ARG CA C 13 54.765 0.6 . 1 . . . . 17 Arg CA . 16648 1 204 . 1 1 17 17 ARG CB C 13 35.05 0.6 . 1 . . . . 17 Arg CB . 16648 1 205 . 1 1 17 17 ARG CD C 13 43.446 0.6 . 1 . . . . 17 Arg CD . 16648 1 206 . 1 1 17 17 ARG CG C 13 27.411 0.6 . 1 . . . . 17 Arg CG . 16648 1 207 . 1 1 17 17 ARG N N 15 125.075 0.6 . 1 . . . . 17 Arg N . 16648 1 208 . 1 1 18 18 LEU H H 1 8.978 0.06 . 1 . . . . 18 Leu H . 16648 1 209 . 1 1 18 18 LEU HA H 1 3.663 0.06 . 1 . . . . 18 Leu HA . 16648 1 210 . 1 1 18 18 LEU HB2 H 1 1.714 0.06 . 2 . . . . 18 Leu HB2 . 16648 1 211 . 1 1 18 18 LEU HB3 H 1 1.071 0.06 . 2 . . . . 18 Leu HB3 . 16648 1 212 . 1 1 18 18 LEU HD11 H 1 0.423 0.06 . 2 . . . . 18 Leu HD1 . 16648 1 213 . 1 1 18 18 LEU HD12 H 1 0.423 0.06 . 2 . . . . 18 Leu HD1 . 16648 1 214 . 1 1 18 18 LEU HD13 H 1 0.423 0.06 . 2 . . . . 18 Leu HD1 . 16648 1 215 . 1 1 18 18 LEU HD21 H 1 0.572 0.06 . 2 . . . . 18 Leu HD2 . 16648 1 216 . 1 1 18 18 LEU HD22 H 1 0.572 0.06 . 2 . . . . 18 Leu HD2 . 16648 1 217 . 1 1 18 18 LEU HD23 H 1 0.572 0.06 . 2 . . . . 18 Leu HD2 . 16648 1 218 . 1 1 18 18 LEU HG H 1 1.58 0.06 . 1 . . . . 18 Leu HG . 16648 1 219 . 1 1 18 18 LEU CA C 13 55.735 0.6 . 1 . . . . 18 Leu CA . 16648 1 220 . 1 1 18 18 LEU CB C 13 42.275 0.6 . 1 . . . . 18 Leu CB . 16648 1 221 . 1 1 18 18 LEU CD1 C 13 26.169 0.6 . 2 . . . . 18 Leu CD1 . 16648 1 222 . 1 1 18 18 LEU CD2 C 13 24.731 0.6 . 2 . . . . 18 Leu CD2 . 16648 1 223 . 1 1 18 18 LEU CG C 13 27.049 0.6 . 1 . . . . 18 Leu CG . 16648 1 224 . 1 1 18 18 LEU N N 15 127.698 0.6 . 1 . . . . 18 Leu N . 16648 1 225 . 1 1 19 19 LYS H H 1 8.452 0.06 . 1 . . . . 19 Lys H . 16648 1 226 . 1 1 19 19 LYS HA H 1 4.405 0.06 . 1 . . . . 19 Lys HA . 16648 1 227 . 1 1 19 19 LYS HB2 H 1 2.378 0.06 . 2 . . . . 19 Lys HB2 . 16648 1 228 . 1 1 19 19 LYS HB3 H 1 2.065 0.06 . 2 . . . . 19 Lys HB3 . 16648 1 229 . 1 1 19 19 LYS HD2 H 1 1.77 0.06 . 2 . . . . 19 Lys HD2 . 16648 1 230 . 1 1 19 19 LYS HD3 H 1 1.77 0.06 . 2 . . . . 19 Lys HD3 . 16648 1 231 . 1 1 19 19 LYS HG2 H 1 1.80 0.06 . 2 . . . . 19 Lys HG2 . 16648 1 232 . 1 1 19 19 LYS HG3 H 1 1.289 0.06 . 2 . . . . 19 Lys HG3 . 16648 1 233 . 1 1 19 19 LYS C C 13 176.739 0.6 . 1 . . . . 19 Lys C . 16648 1 234 . 1 1 19 19 LYS CA C 13 60.471 0.6 . 1 . . . . 19 Lys CA . 16648 1 235 . 1 1 19 19 LYS CB C 13 30.938 0.6 . 1 . . . . 19 Lys CB . 16648 1 236 . 1 1 19 19 LYS CD C 13 29.741 0.6 . 1 . . . . 19 Lys CD . 16648 1 237 . 1 1 19 19 LYS CE C 13 42.335 0.6 . 1 . . . . 19 Lys CE . 16648 1 238 . 1 1 19 19 LYS CG C 13 26.156 0.6 . 1 . . . . 19 Lys CG . 16648 1 239 . 1 1 19 19 LYS N N 15 120.284 0.6 . 1 . . . . 19 Lys N . 16648 1 240 . 1 1 20 20 ASP H H 1 7.608 0.06 . 1 . . . . 20 Asp H . 16648 1 241 . 1 1 20 20 ASP HA H 1 4.645 0.06 . 1 . . . . 20 Asp HA . 16648 1 242 . 1 1 20 20 ASP HB2 H 1 2.677 0.06 . 2 . . . . 20 Asp HB2 . 16648 1 243 . 1 1 20 20 ASP HB3 H 1 2.677 0.06 . 2 . . . . 20 Asp HB3 . 16648 1 244 . 1 1 20 20 ASP C C 13 176.293 0.6 . 1 . . . . 20 Asp C . 16648 1 245 . 1 1 20 20 ASP CA C 13 56.198 0.6 . 1 . . . . 20 Asp CA . 16648 1 246 . 1 1 20 20 ASP CB C 13 43.08 0.6 . 1 . . . . 20 Asp CB . 16648 1 247 . 1 1 20 20 ASP N N 15 117.462 0.6 . 1 . . . . 20 Asp N . 16648 1 248 . 1 1 21 21 THR H H 1 8.623 0.06 . 1 . . . . 21 Thr H . 16648 1 249 . 1 1 21 21 THR HA H 1 4.164 0.06 . 1 . . . . 21 Thr HA . 16648 1 250 . 1 1 21 21 THR HB H 1 4.269 0.06 . 1 . . . . 21 Thr HB . 16648 1 251 . 1 1 21 21 THR C C 13 175.015 0.6 . 1 . . . . 21 Thr C . 16648 1 252 . 1 1 21 21 THR CA C 13 65.596 0.6 . 1 . . . . 21 Thr CA . 16648 1 253 . 1 1 21 21 THR CB C 13 68.46 0.6 . 1 . . . . 21 Thr CB . 16648 1 254 . 1 1 21 21 THR N N 15 111.699 0.6 . 1 . . . . 21 Thr N . 16648 1 255 . 1 1 22 22 PHE H H 1 7.606 0.06 . 1 . . . . 22 Phe H . 16648 1 256 . 1 1 22 22 PHE HA H 1 5.11 0.06 . 1 . . . . 22 Phe HA . 16648 1 257 . 1 1 22 22 PHE HB2 H 1 2.95 0.06 . 2 . . . . 22 Phe HB2 . 16648 1 258 . 1 1 22 22 PHE HB3 H 1 2.95 0.06 . 2 . . . . 22 Phe HB3 . 16648 1 259 . 1 1 22 22 PHE HD1 H 1 6.993 0.06 . 3 . . . . 22 Phe HD1 . 16648 1 260 . 1 1 22 22 PHE HD2 H 1 6.993 0.06 . 3 . . . . 22 Phe HD2 . 16648 1 261 . 1 1 22 22 PHE C C 13 170.154 0.6 . 1 . . . . 22 Phe C . 16648 1 262 . 1 1 22 22 PHE CA C 13 55.345 0.6 . 1 . . . . 22 Phe CA . 16648 1 263 . 1 1 22 22 PHE CB C 13 41.126 0.6 . 1 . . . . 22 Phe CB . 16648 1 264 . 1 1 22 22 PHE CD1 C 13 131.96 0.6 . 3 . . . . 22 Phe CD1 . 16648 1 265 . 1 1 22 22 PHE CD2 C 13 131.96 0.6 . 3 . . . . 22 Phe CD2 . 16648 1 266 . 1 1 22 22 PHE N N 15 113.721 0.6 . 1 . . . . 22 Phe N . 16648 1 267 . 1 1 23 23 ASP H H 1 9.045 0.06 . 1 . . . . 23 Asp H . 16648 1 268 . 1 1 23 23 ASP HA H 1 4.787 0.06 . 1 . . . . 23 Asp HA . 16648 1 269 . 1 1 23 23 ASP HB2 H 1 2.961 0.06 . 2 . . . . 23 Asp HB2 . 16648 1 270 . 1 1 23 23 ASP HB3 H 1 2.511 0.06 . 2 . . . . 23 Asp HB3 . 16648 1 271 . 1 1 23 23 ASP C C 13 175.785 0.6 . 1 . . . . 23 Asp C . 16648 1 272 . 1 1 23 23 ASP CA C 13 53.871 0.6 . 1 . . . . 23 Asp CA . 16648 1 273 . 1 1 23 23 ASP CB C 13 47.85 0.6 . 1 . . . . 23 Asp CB . 16648 1 274 . 1 1 23 23 ASP N N 15 121.321 0.6 . 1 . . . . 23 Asp N . 16648 1 275 . 1 1 24 24 PHE H H 1 8.944 0.06 . 1 . . . . 24 Phe H . 16648 1 276 . 1 1 24 24 PHE HA H 1 6.087 0.06 . 1 . . . . 24 Phe HA . 16648 1 277 . 1 1 24 24 PHE HB2 H 1 2.95 0.06 . 2 . . . . 24 Phe HB2 . 16648 1 278 . 1 1 24 24 PHE HB3 H 1 2.95 0.06 . 2 . . . . 24 Phe HB3 . 16648 1 279 . 1 1 24 24 PHE HD1 H 1 7.099 0.06 . 3 . . . . 24 Phe HD1 . 16648 1 280 . 1 1 24 24 PHE HD2 H 1 7.099 0.06 . 3 . . . . 24 Phe HD2 . 16648 1 281 . 1 1 24 24 PHE HE1 H 1 6.808 0.06 . 3 . . . . 24 Phe HE1 . 16648 1 282 . 1 1 24 24 PHE HE2 H 1 6.808 0.06 . 3 . . . . 24 Phe HE2 . 16648 1 283 . 1 1 24 24 PHE C C 13 172.639 0.6 . 1 . . . . 24 Phe C . 16648 1 284 . 1 1 24 24 PHE CA C 13 56.319 0.6 . 1 . . . . 24 Phe CA . 16648 1 285 . 1 1 24 24 PHE CB C 13 43.62 0.6 . 1 . . . . 24 Phe CB . 16648 1 286 . 1 1 24 24 PHE CD1 C 13 132.3 0.6 . 3 . . . . 24 Phe CD1 . 16648 1 287 . 1 1 24 24 PHE CD2 C 13 132.06 0.6 . 3 . . . . 24 Phe CD2 . 16648 1 288 . 1 1 24 24 PHE CE1 C 13 132.06 0.6 . 3 . . . . 24 Phe CE1 . 16648 1 289 . 1 1 24 24 PHE CE2 C 13 132.5 0.6 . 3 . . . . 24 Phe CE2 . 16648 1 290 . 1 1 24 24 PHE N N 15 114.948 0.6 . 1 . . . . 24 Phe N . 16648 1 291 . 1 1 25 25 LYS H H 1 9.098 0.06 . 1 . . . . 25 Lys H . 16648 1 292 . 1 1 25 25 LYS HA H 1 4.713 0.06 . 1 . . . . 25 Lys HA . 16648 1 293 . 1 1 25 25 LYS HB2 H 1 1.853 0.06 . 2 . . . . 25 Lys HB2 . 16648 1 294 . 1 1 25 25 LYS HB3 H 1 1.714 0.06 . 2 . . . . 25 Lys HB3 . 16648 1 295 . 1 1 25 25 LYS HG2 H 1 1.450 0.06 . 2 . . . . 25 Lys HG2 . 16648 1 296 . 1 1 25 25 LYS HG3 H 1 1.381 0.06 . 2 . . . . 25 Lys HG3 . 16648 1 297 . 1 1 25 25 LYS C C 13 175.516 0.6 . 1 . . . . 25 Lys C . 16648 1 298 . 1 1 25 25 LYS CA C 13 54.610 0.6 . 1 . . . . 25 Lys CA . 16648 1 299 . 1 1 25 25 LYS CB C 13 37.004 0.6 . 1 . . . . 25 Lys CB . 16648 1 300 . 1 1 25 25 LYS CE C 13 42.142 0.6 . 1 . . . . 25 Lys CE . 16648 1 301 . 1 1 25 25 LYS CG C 13 24.514 0.6 . 1 . . . . 25 Lys CG . 16648 1 302 . 1 1 25 25 LYS N N 15 118.505 0.6 . 1 . . . . 25 Lys N . 16648 1 303 . 1 1 26 26 LEU H H 1 9.930 0.06 . 1 . . . . 26 Leu H . 16648 1 304 . 1 1 26 26 LEU HA H 1 5.019 0.06 . 1 . . . . 26 Leu HA . 16648 1 305 . 1 1 26 26 LEU HB2 H 1 2.098 0.06 . 2 . . . . 26 Leu HB2 . 16648 1 306 . 1 1 26 26 LEU HB3 H 1 1.887 0.06 . 2 . . . . 26 Leu HB3 . 16648 1 307 . 1 1 26 26 LEU HD11 H 1 1.138 0.06 . 2 . . . . 26 Leu HD1 . 16648 1 308 . 1 1 26 26 LEU HD12 H 1 1.138 0.06 . 2 . . . . 26 Leu HD1 . 16648 1 309 . 1 1 26 26 LEU HD13 H 1 1.138 0.06 . 2 . . . . 26 Leu HD1 . 16648 1 310 . 1 1 26 26 LEU HD21 H 1 1.138 0.06 . 2 . . . . 26 Leu HD2 . 16648 1 311 . 1 1 26 26 LEU HD22 H 1 1.138 0.06 . 2 . . . . 26 Leu HD2 . 16648 1 312 . 1 1 26 26 LEU HD23 H 1 1.138 0.06 . 2 . . . . 26 Leu HD2 . 16648 1 313 . 1 1 26 26 LEU HG H 1 1.212 0.06 . 1 . . . . 26 Leu HG . 16648 1 314 . 1 1 26 26 LEU C C 13 177.546 0.6 . 1 . . . . 26 Leu C . 16648 1 315 . 1 1 26 26 LEU CA C 13 54.22 0.6 . 1 . . . . 26 Leu CA . 16648 1 316 . 1 1 26 26 LEU CB C 13 42.138 0.6 . 1 . . . . 26 Leu CB . 16648 1 317 . 1 1 26 26 LEU CD1 C 13 25.832 0.6 . 2 . . . . 26 Leu CD1 . 16648 1 318 . 1 1 26 26 LEU CD2 C 13 25.832 0.6 . 2 . . . . 26 Leu CD2 . 16648 1 319 . 1 1 26 26 LEU CG C 13 26.643 0.6 . 1 . . . . 26 Leu CG . 16648 1 320 . 1 1 26 26 LEU N N 15 125.25 0.6 . 1 . . . . 26 Leu N . 16648 1 321 . 1 1 27 27 ALA H H 1 8.01 0.06 . 1 . . . . 27 Ala H . 16648 1 322 . 1 1 27 27 ALA HA H 1 3.897 0.06 . 1 . . . . 27 Ala HA . 16648 1 323 . 1 1 27 27 ALA HB1 H 1 1.208 0.06 . 1 . . . . 27 Ala HB . 16648 1 324 . 1 1 27 27 ALA HB2 H 1 1.208 0.06 . 1 . . . . 27 Ala HB . 16648 1 325 . 1 1 27 27 ALA HB3 H 1 1.208 0.06 . 1 . . . . 27 Ala HB . 16648 1 326 . 1 1 27 27 ALA C C 13 179.107 0.6 . 1 . . . . 27 Ala C . 16648 1 327 . 1 1 27 27 ALA CA C 13 54.465 0.6 . 1 . . . . 27 Ala CA . 16648 1 328 . 1 1 27 27 ALA CB C 13 17.9550 0.6 . 1 . . . . 27 Ala CB . 16648 1 329 . 1 1 27 27 ALA N N 15 128.008 0.6 . 1 . . . . 27 Ala N . 16648 1 330 . 1 1 28 28 ALA H H 1 8.320 0.06 . 1 . . . . 28 Ala H . 16648 1 331 . 1 1 28 28 ALA HA H 1 3.736 0.06 . 1 . . . . 28 Ala HA . 16648 1 332 . 1 1 28 28 ALA HB1 H 1 0.572 0.06 . 1 . . . . 28 Ala HB . 16648 1 333 . 1 1 28 28 ALA HB2 H 1 0.572 0.06 . 1 . . . . 28 Ala HB . 16648 1 334 . 1 1 28 28 ALA HB3 H 1 0.572 0.06 . 1 . . . . 28 Ala HB . 16648 1 335 . 1 1 28 28 ALA C C 13 176.745 0.6 . 1 . . . . 28 Ala C . 16648 1 336 . 1 1 28 28 ALA CA C 13 53.417 0.6 . 1 . . . . 28 Ala CA . 16648 1 337 . 1 1 28 28 ALA CB C 13 19.771 0.6 . 1 . . . . 28 Ala CB . 16648 1 338 . 1 1 28 28 ALA N N 15 114.273 0.6 . 1 . . . . 28 Ala N . 16648 1 339 . 1 1 29 29 PHE H H 1 7.043 0.06 . 1 . . . . 29 Phe H . 16648 1 340 . 1 1 29 29 PHE HA H 1 5.242 0.06 . 1 . . . . 29 Phe HA . 16648 1 341 . 1 1 29 29 PHE HB2 H 1 3.177 0.06 . 2 . . . . 29 Phe HB2 . 16648 1 342 . 1 1 29 29 PHE HB3 H 1 2.812 0.06 . 2 . . . . 29 Phe HB3 . 16648 1 343 . 1 1 29 29 PHE HD1 H 1 7.12 0.06 . 3 . . . . 29 Phe HD1 . 16648 1 344 . 1 1 29 29 PHE HD2 H 1 7.12 0.06 . 3 . . . . 29 Phe HD2 . 16648 1 345 . 1 1 29 29 PHE HE1 H 1 7.11 0.06 . 3 . . . . 29 Phe HE1 . 16648 1 346 . 1 1 29 29 PHE HE2 H 1 7.11 0.06 . 3 . . . . 29 Phe HE2 . 16648 1 347 . 1 1 29 29 PHE CA C 13 53.623 0.6 . 1 . . . . 29 Phe CA . 16648 1 348 . 1 1 29 29 PHE CB C 13 41.253 0.6 . 1 . . . . 29 Phe CB . 16648 1 349 . 1 1 29 29 PHE CD1 C 13 133.2 0.6 . 3 . . . . 29 Phe CD1 . 16648 1 350 . 1 1 29 29 PHE CD2 C 13 133.2 0.6 . 3 . . . . 29 Phe CD2 . 16648 1 351 . 1 1 29 29 PHE CE1 C 13 130.2 0.6 . 3 . . . . 29 Phe CE1 . 16648 1 352 . 1 1 29 29 PHE CE2 C 13 130.2 0.6 . 3 . . . . 29 Phe CE2 . 16648 1 353 . 1 1 29 29 PHE N N 15 112.267 0.6 . 1 . . . . 29 Phe N . 16648 1 354 . 1 1 30 30 PRO HA H 1 4.384 0.06 . 1 . . . . 30 Pro HA . 16648 1 355 . 1 1 30 30 PRO HB2 H 1 2.218 0.06 . 2 . . . . 30 Pro HB2 . 16648 1 356 . 1 1 30 30 PRO HB3 H 1 1.915 0.06 . 2 . . . . 30 Pro HB3 . 16648 1 357 . 1 1 30 30 PRO HD2 H 1 3.574 0.06 . 2 . . . . 30 Pro HD2 . 16648 1 358 . 1 1 30 30 PRO HD3 H 1 3.477 0.06 . 2 . . . . 30 Pro HD3 . 16648 1 359 . 1 1 30 30 PRO HG2 H 1 1.989 0.06 . 2 . . . . 30 Pro HG2 . 16648 1 360 . 1 1 30 30 PRO HG3 H 1 1.989 0.06 . 2 . . . . 30 Pro HG3 . 16648 1 361 . 1 1 30 30 PRO C C 13 177.686 0.6 . 1 . . . . 30 Pro C . 16648 1 362 . 1 1 30 30 PRO CA C 13 64.889 0.6 . 1 . . . . 30 Pro CA . 16648 1 363 . 1 1 30 30 PRO CB C 13 31.935 0.6 . 1 . . . . 30 Pro CB . 16648 1 364 . 1 1 30 30 PRO CD C 13 49.74 0.6 . 1 . . . . 30 Pro CD . 16648 1 365 . 1 1 30 30 PRO CG C 13 27.3 0.6 . 1 . . . . 30 Pro CG . 16648 1 366 . 1 1 31 31 ASN H H 1 8.699 0.06 . 1 . . . . 31 Asn H . 16648 1 367 . 1 1 31 31 ASN HA H 1 4.785 0.06 . 1 . . . . 31 Asn HA . 16648 1 368 . 1 1 31 31 ASN HB2 H 1 2.980 0.06 . 2 . . . . 31 Asn HB2 . 16648 1 369 . 1 1 31 31 ASN HB3 H 1 2.791 0.06 . 2 . . . . 31 Asn HB3 . 16648 1 370 . 1 1 31 31 ASN HD21 H 1 7.63 0.06 . 2 . . . . 31 Asn HD21 . 16648 1 371 . 1 1 31 31 ASN HD22 H 1 7.009 0.06 . 2 . . . . 31 Asn HD22 . 16648 1 372 . 1 1 31 31 ASN C C 13 174.507 0.6 . 1 . . . . 31 Asn C . 16648 1 373 . 1 1 31 31 ASN CA C 13 53.234 0.6 . 1 . . . . 31 Asn CA . 16648 1 374 . 1 1 31 31 ASN CB C 13 38.9 0.6 . 1 . . . . 31 Asn CB . 16648 1 375 . 1 1 31 31 ASN N N 15 115.305 0.6 . 1 . . . . 31 Asn N . 16648 1 376 . 1 1 31 31 ASN ND2 N 15 114.1 0.6 . 1 . . . . 31 Asn ND2 . 16648 1 377 . 1 1 32 32 GLN H H 1 7.227 0.06 . 1 . . . . 32 Gln H . 16648 1 378 . 1 1 32 32 GLN HA H 1 4.585 0.06 . 1 . . . . 32 Gln HA . 16648 1 379 . 1 1 32 32 GLN HB2 H 1 1.9 0.06 . 2 . . . . 32 Gln HB2 . 16648 1 380 . 1 1 32 32 GLN HB3 H 1 1.9 0.06 . 2 . . . . 32 Gln HB3 . 16648 1 381 . 1 1 32 32 GLN HG2 H 1 2.25 0.06 . 2 . . . . 32 Gln HG2 . 16648 1 382 . 1 1 32 32 GLN HG3 H 1 2.25 0.06 . 2 . . . . 32 Gln HG3 . 16648 1 383 . 1 1 32 32 GLN C C 13 174.827 0.6 . 1 . . . . 32 Gln C . 16648 1 384 . 1 1 32 32 GLN CA C 13 55.371 0.6 . 1 . . . . 32 Gln CA . 16648 1 385 . 1 1 32 32 GLN CB C 13 31.85 0.6 . 1 . . . . 32 Gln CB . 16648 1 386 . 1 1 32 32 GLN CG C 13 34.97 0.6 . 1 . . . . 32 Gln CG . 16648 1 387 . 1 1 32 32 GLN N N 15 117.758 0.6 . 1 . . . . 32 Gln N . 16648 1 388 . 1 1 33 33 ASN H H 1 8.692 0.06 . 1 . . . . 33 Asn H . 16648 1 389 . 1 1 33 33 ASN HA H 1 4.591 0.06 . 1 . . . . 33 Asn HA . 16648 1 390 . 1 1 33 33 ASN HB2 H 1 2.801 0.06 . 2 . . . . 33 Asn HB2 . 16648 1 391 . 1 1 33 33 ASN HB3 H 1 2.617 0.06 . 2 . . . . 33 Asn HB3 . 16648 1 392 . 1 1 33 33 ASN HD21 H 1 7.77 0.06 . 2 . . . . 33 Asn HD21 . 16648 1 393 . 1 1 33 33 ASN HD22 H 1 6.86 0.06 . 2 . . . . 33 Asn HD22 . 16648 1 394 . 1 1 33 33 ASN C C 13 176.830 0.6 . 1 . . . . 33 Asn C . 16648 1 395 . 1 1 33 33 ASN CA C 13 51.572 0.6 . 1 . . . . 33 Asn CA . 16648 1 396 . 1 1 33 33 ASN CB C 13 40.280 0.6 . 1 . . . . 33 Asn CB . 16648 1 397 . 1 1 33 33 ASN N N 15 120.622 0.6 . 1 . . . . 33 Asn N . 16648 1 398 . 1 1 33 33 ASN ND2 N 15 113.8 0.6 . 1 . . . . 33 Asn ND2 . 16648 1 399 . 1 1 34 34 TYR H H 1 7.328 0.06 . 1 . . . . 34 Tyr H . 16648 1 400 . 1 1 34 34 TYR HA H 1 4.225 0.06 . 1 . . . . 34 Tyr HA . 16648 1 401 . 1 1 34 34 TYR HB2 H 1 2.756 0.06 . 2 . . . . 34 Tyr HB2 . 16648 1 402 . 1 1 34 34 TYR HB3 H 1 2.580 0.06 . 2 . . . . 34 Tyr HB3 . 16648 1 403 . 1 1 34 34 TYR HD1 H 1 6.806 0.06 . 3 . . . . 34 Tyr HD1 . 16648 1 404 . 1 1 34 34 TYR HD2 H 1 6.806 0.06 . 3 . . . . 34 Tyr HD2 . 16648 1 405 . 1 1 34 34 TYR HE1 H 1 6.124 0.06 . 3 . . . . 34 Tyr HE1 . 16648 1 406 . 1 1 34 34 TYR HE2 H 1 6.124 0.06 . 3 . . . . 34 Tyr HE2 . 16648 1 407 . 1 1 34 34 TYR C C 13 177.022 0.6 . 1 . . . . 34 Tyr C . 16648 1 408 . 1 1 34 34 TYR CA C 13 60.2 0.6 . 1 . . . . 34 Tyr CA . 16648 1 409 . 1 1 34 34 TYR CB C 13 37.54 0.6 . 1 . . . . 34 Tyr CB . 16648 1 410 . 1 1 34 34 TYR CD1 C 13 132.06 0.6 . 3 . . . . 34 Tyr CD1 . 16648 1 411 . 1 1 34 34 TYR CD2 C 13 132.06 0.6 . 3 . . . . 34 Tyr CD2 . 16648 1 412 . 1 1 34 34 TYR CE1 C 13 118.609 0.6 . 3 . . . . 34 Tyr CE1 . 16648 1 413 . 1 1 34 34 TYR CE2 C 13 118.609 0.6 . 3 . . . . 34 Tyr CE2 . 16648 1 414 . 1 1 34 34 TYR N N 15 117.43 0.6 . 1 . . . . 34 Tyr N . 16648 1 415 . 1 1 35 35 ASP H H 1 7.944 0.06 . 1 . . . . 35 Asp H . 16648 1 416 . 1 1 35 35 ASP HA H 1 4.351 0.06 . 1 . . . . 35 Asp HA . 16648 1 417 . 1 1 35 35 ASP HB2 H 1 2.863 0.06 . 2 . . . . 35 Asp HB2 . 16648 1 418 . 1 1 35 35 ASP HB3 H 1 2.549 0.06 . 2 . . . . 35 Asp HB3 . 16648 1 419 . 1 1 35 35 ASP C C 13 176.343 0.6 . 1 . . . . 35 Asp C . 16648 1 420 . 1 1 35 35 ASP CA C 13 54.950 0.6 . 1 . . . . 35 Asp CA . 16648 1 421 . 1 1 35 35 ASP CB C 13 39.48 0.6 . 1 . . . . 35 Asp CB . 16648 1 422 . 1 1 35 35 ASP N N 15 109.804 0.6 . 1 . . . . 35 Asp N . 16648 1 423 . 1 1 36 36 GLN H H 1 7.83 0.06 . 1 . . . . 36 Gln H . 16648 1 424 . 1 1 36 36 GLN HA H 1 4.419 0.06 . 1 . . . . 36 Gln HA . 16648 1 425 . 1 1 36 36 GLN HB2 H 1 2.399 0.06 . 2 . . . . 36 Gln HB2 . 16648 1 426 . 1 1 36 36 GLN HB3 H 1 2.148 0.06 . 2 . . . . 36 Gln HB3 . 16648 1 427 . 1 1 36 36 GLN HG2 H 1 2.366 0.06 . 2 . . . . 36 Gln HG2 . 16648 1 428 . 1 1 36 36 GLN HG3 H 1 2.366 0.06 . 2 . . . . 36 Gln HG3 . 16648 1 429 . 1 1 36 36 GLN C C 13 175.491 0.6 . 1 . . . . 36 Gln C . 16648 1 430 . 1 1 36 36 GLN CA C 13 54.91 0.6 . 1 . . . . 36 Gln CA . 16648 1 431 . 1 1 36 36 GLN CB C 13 31.008 0.6 . 1 . . . . 36 Gln CB . 16648 1 432 . 1 1 36 36 GLN CG C 13 34.871 0.6 . 1 . . . . 36 Gln CG . 16648 1 433 . 1 1 36 36 GLN N N 15 116.1 0.6 . 1 . . . . 36 Gln N . 16648 1 434 . 1 1 37 37 LEU H H 1 7.766 0.06 . 1 . . . . 37 Leu H . 16648 1 435 . 1 1 37 37 LEU HA H 1 4.567 0.06 . 1 . . . . 37 Leu HA . 16648 1 436 . 1 1 37 37 LEU HB2 H 1 0.89 0.06 . 2 . . . . 37 Leu HB2 . 16648 1 437 . 1 1 37 37 LEU HB3 H 1 0.89 0.06 . 2 . . . . 37 Leu HB3 . 16648 1 438 . 1 1 37 37 LEU HD11 H 1 -0.044 0.06 . 2 . . . . 37 Leu HD1 . 16648 1 439 . 1 1 37 37 LEU HD12 H 1 -0.044 0.06 . 2 . . . . 37 Leu HD1 . 16648 1 440 . 1 1 37 37 LEU HD13 H 1 -0.044 0.06 . 2 . . . . 37 Leu HD1 . 16648 1 441 . 1 1 37 37 LEU HD21 H 1 -0.044 0.06 . 2 . . . . 37 Leu HD2 . 16648 1 442 . 1 1 37 37 LEU HD22 H 1 -0.044 0.06 . 2 . . . . 37 Leu HD2 . 16648 1 443 . 1 1 37 37 LEU HD23 H 1 -0.044 0.06 . 2 . . . . 37 Leu HD2 . 16648 1 444 . 1 1 37 37 LEU HG H 1 0.71 0.06 . 1 . . . . 37 Leu HG . 16648 1 445 . 1 1 37 37 LEU C C 13 175.435 0.6 . 1 . . . . 37 Leu C . 16648 1 446 . 1 1 37 37 LEU CA C 13 53.073 0.6 . 1 . . . . 37 Leu CA . 16648 1 447 . 1 1 37 37 LEU CB C 13 45.05 0.6 . 1 . . . . 37 Leu CB . 16648 1 448 . 1 1 37 37 LEU CD1 C 13 22.35 0.6 . 2 . . . . 37 Leu CD1 . 16648 1 449 . 1 1 37 37 LEU CD2 C 13 22.35 0.6 . 2 . . . . 37 Leu CD2 . 16648 1 450 . 1 1 37 37 LEU CG C 13 25.52 0.6 . 1 . . . . 37 Leu CG . 16648 1 451 . 1 1 37 37 LEU N N 15 122.471 0.6 . 1 . . . . 37 Leu N . 16648 1 452 . 1 1 38 38 LEU H H 1 8.806 0.06 . 1 . . . . 38 Leu H . 16648 1 453 . 1 1 38 38 LEU HA H 1 4.576 0.06 . 1 . . . . 38 Leu HA . 16648 1 454 . 1 1 38 38 LEU HB2 H 1 1.667 0.06 . 2 . . . . 38 Leu HB2 . 16648 1 455 . 1 1 38 38 LEU HB3 H 1 1.667 0.06 . 2 . . . . 38 Leu HB3 . 16648 1 456 . 1 1 38 38 LEU HG H 1 0.880 0.06 . 1 . . . . 38 Leu HG . 16648 1 457 . 1 1 38 38 LEU CA C 13 53.340 0.6 . 1 . . . . 38 Leu CA . 16648 1 458 . 1 1 38 38 LEU CB C 13 42.4 0.6 . 1 . . . . 38 Leu CB . 16648 1 459 . 1 1 38 38 LEU CG C 13 25.94 0.6 . 1 . . . . 38 Leu CG . 16648 1 460 . 1 1 38 38 LEU N N 15 123.422 0.6 . 1 . . . . 38 Leu N . 16648 1 461 . 1 1 39 39 PRO HA H 1 3.770 0.06 . 1 . . . . 39 Pro HA . 16648 1 462 . 1 1 39 39 PRO HB2 H 1 2.39 0.06 . 2 . . . . 39 Pro HB2 . 16648 1 463 . 1 1 39 39 PRO HB3 H 1 2.39 0.06 . 2 . . . . 39 Pro HB3 . 16648 1 464 . 1 1 39 39 PRO HG2 H 1 2.24 0.06 . 2 . . . . 39 Pro HG2 . 16648 1 465 . 1 1 39 39 PRO HG3 H 1 1.72 0.06 . 2 . . . . 39 Pro HG3 . 16648 1 466 . 1 1 39 39 PRO CA C 13 66.56 0.6 . 1 . . . . 39 Pro CA . 16648 1 467 . 1 1 39 39 PRO CB C 13 32.0 0.6 . 1 . . . . 39 Pro CB . 16648 1 468 . 1 1 39 39 PRO CG C 13 28.05 0.6 . 1 . . . . 39 Pro CG . 16648 1 469 . 1 1 40 40 SER H H 1 9.189 0.06 . 1 . . . . 40 Ser H . 16648 1 470 . 1 1 40 40 SER HA H 1 5.043 0.06 . 1 . . . . 40 Ser HA . 16648 1 471 . 1 1 40 40 SER HB2 H 1 3.943 0.06 . 2 . . . . 40 Ser HB2 . 16648 1 472 . 1 1 40 40 SER HB3 H 1 3.943 0.06 . 2 . . . . 40 Ser HB3 . 16648 1 473 . 1 1 40 40 SER CA C 13 61.72 0.6 . 1 . . . . 40 Ser CA . 16648 1 474 . 1 1 40 40 SER N N 15 110.942 0.6 . 1 . . . . 40 Ser N . 16648 1 475 . 1 1 41 41 GLN H H 1 7.45 0.06 . 1 . . . . 41 Gln H . 16648 1 476 . 1 1 41 41 GLN HA H 1 4.285 0.06 . 1 . . . . 41 Gln HA . 16648 1 477 . 1 1 41 41 GLN HB2 H 1 1.958 0.06 . 2 . . . . 41 Gln HB2 . 16648 1 478 . 1 1 41 41 GLN HB3 H 1 2.458 0.06 . 2 . . . . 41 Gln HB3 . 16648 1 479 . 1 1 41 41 GLN HG2 H 1 2.487 0.06 . 2 . . . . 41 Gln HG2 . 16648 1 480 . 1 1 41 41 GLN HG3 H 1 2.348 0.06 . 2 . . . . 41 Gln HG3 . 16648 1 481 . 1 1 41 41 GLN C C 13 179.564 0.6 . 1 . . . . 41 Gln C . 16648 1 482 . 1 1 41 41 GLN CA C 13 59.0 0.6 . 1 . . . . 41 Gln CA . 16648 1 483 . 1 1 41 41 GLN CB C 13 29.976 0.6 . 1 . . . . 41 Gln CB . 16648 1 484 . 1 1 41 41 GLN CG C 13 36.2 0.6 . 1 . . . . 41 Gln CG . 16648 1 485 . 1 1 41 41 GLN N N 15 121.997 0.6 . 1 . . . . 41 Gln N . 16648 1 486 . 1 1 42 42 ILE H H 1 7.416 0.06 . 1 . . . . 42 Ile H . 16648 1 487 . 1 1 42 42 ILE HA H 1 3.517 0.06 . 1 . . . . 42 Ile HA . 16648 1 488 . 1 1 42 42 ILE HB H 1 1.613 0.06 . 1 . . . . 42 Ile HB . 16648 1 489 . 1 1 42 42 ILE HD11 H 1 -0.204 0.06 . 1 . . . . 42 Ile HD1 . 16648 1 490 . 1 1 42 42 ILE HD12 H 1 -0.204 0.06 . 1 . . . . 42 Ile HD1 . 16648 1 491 . 1 1 42 42 ILE HD13 H 1 -0.204 0.06 . 1 . . . . 42 Ile HD1 . 16648 1 492 . 1 1 42 42 ILE HG12 H 1 0.806 0.06 . 2 . . . . 42 Ile HG12 . 16648 1 493 . 1 1 42 42 ILE HG13 H 1 0.806 0.06 . 2 . . . . 42 Ile HG13 . 16648 1 494 . 1 1 42 42 ILE HG21 H 1 0.596 0.06 . 1 . . . . 42 Ile HG2 . 16648 1 495 . 1 1 42 42 ILE HG22 H 1 0.596 0.06 . 1 . . . . 42 Ile HG2 . 16648 1 496 . 1 1 42 42 ILE HG23 H 1 0.596 0.06 . 1 . . . . 42 Ile HG2 . 16648 1 497 . 1 1 42 42 ILE CA C 13 65.210 0.6 . 1 . . . . 42 Ile CA . 16648 1 498 . 1 1 42 42 ILE CB C 13 37.448 0.6 . 1 . . . . 42 Ile CB . 16648 1 499 . 1 1 42 42 ILE CD1 C 13 15.555 0.6 . 1 . . . . 42 Ile CD1 . 16648 1 500 . 1 1 42 42 ILE CG1 C 13 29.324 0.6 . 1 . . . . 42 Ile CG1 . 16648 1 501 . 1 1 42 42 ILE CG2 C 13 14.738 0.6 . 1 . . . . 42 Ile CG2 . 16648 1 502 . 1 1 42 42 ILE N N 15 120.598 0.6 . 1 . . . . 42 Ile N . 16648 1 503 . 1 1 43 43 TYR H H 1 8.803 0.06 . 1 . . . . 43 Tyr H . 16648 1 504 . 1 1 43 43 TYR HA H 1 3.833 0.06 . 1 . . . . 43 Tyr HA . 16648 1 505 . 1 1 43 43 TYR HB2 H 1 3.251 0.06 . 2 . . . . 43 Tyr HB2 . 16648 1 506 . 1 1 43 43 TYR HB3 H 1 3.251 0.06 . 2 . . . . 43 Tyr HB3 . 16648 1 507 . 1 1 43 43 TYR HD1 H 1 6.552 0.06 . 3 . . . . 43 Tyr HD1 . 16648 1 508 . 1 1 43 43 TYR HD2 H 1 6.552 0.06 . 3 . . . . 43 Tyr HD2 . 16648 1 509 . 1 1 43 43 TYR C C 13 177.348 0.6 . 1 . . . . 43 Tyr C . 16648 1 510 . 1 1 43 43 TYR CA C 13 62.545 0.6 . 1 . . . . 43 Tyr CA . 16648 1 511 . 1 1 43 43 TYR CB C 13 39.973 0.6 . 1 . . . . 43 Tyr CB . 16648 1 512 . 1 1 43 43 TYR CD1 C 13 132.71 0.6 . 3 . . . . 43 Tyr CD1 . 16648 1 513 . 1 1 43 43 TYR CD2 C 13 132.71 0.6 . 3 . . . . 43 Tyr CD2 . 16648 1 514 . 1 1 43 43 TYR N N 15 120.164 0.6 . 1 . . . . 43 Tyr N . 16648 1 515 . 1 1 44 44 LYS H H 1 8.010 0.06 . 1 . . . . 44 Lys H . 16648 1 516 . 1 1 44 44 LYS HA H 1 4.255 0.06 . 1 . . . . 44 Lys HA . 16648 1 517 . 1 1 44 44 LYS HB2 H 1 2.05 0.06 . 2 . . . . 44 Lys HB2 . 16648 1 518 . 1 1 44 44 LYS HB3 H 1 2.009 0.06 . 2 . . . . 44 Lys HB3 . 16648 1 519 . 1 1 44 44 LYS HD2 H 1 1.767 0.06 . 2 . . . . 44 Lys HD2 . 16648 1 520 . 1 1 44 44 LYS HD3 H 1 1.767 0.06 . 2 . . . . 44 Lys HD3 . 16648 1 521 . 1 1 44 44 LYS HG2 H 1 1.99 0.06 . 2 . . . . 44 Lys HG2 . 16648 1 522 . 1 1 44 44 LYS HG3 H 1 1.693 0.06 . 2 . . . . 44 Lys HG3 . 16648 1 523 . 1 1 44 44 LYS C C 13 177.959 0.6 . 1 . . . . 44 Lys C . 16648 1 524 . 1 1 44 44 LYS CA C 13 58.292 0.6 . 1 . . . . 44 Lys CA . 16648 1 525 . 1 1 44 44 LYS CB C 13 34.018 0.6 . 1 . . . . 44 Lys CB . 16648 1 526 . 1 1 44 44 LYS CD C 13 29.328 0.6 . 1 . . . . 44 Lys CD . 16648 1 527 . 1 1 44 44 LYS CE C 13 42.298 0.6 . 1 . . . . 44 Lys CE . 16648 1 528 . 1 1 44 44 LYS CG C 13 26.68 0.6 . 1 . . . . 44 Lys CG . 16648 1 529 . 1 1 44 44 LYS N N 15 112.505 0.6 . 1 . . . . 44 Lys N . 16648 1 530 . 1 1 45 45 ASN H H 1 7.343 0.06 . 1 . . . . 45 Asn H . 16648 1 531 . 1 1 45 45 ASN HA H 1 5.344 0.06 . 1 . . . . 45 Asn HA . 16648 1 532 . 1 1 45 45 ASN HB2 H 1 2.82 0.06 . 2 . . . . 45 Asn HB2 . 16648 1 533 . 1 1 45 45 ASN HB3 H 1 2.444 0.06 . 2 . . . . 45 Asn HB3 . 16648 1 534 . 1 1 45 45 ASN C C 13 177.526 0.6 . 1 . . . . 45 Asn C . 16648 1 535 . 1 1 45 45 ASN CA C 13 54.405 0.6 . 1 . . . . 45 Asn CA . 16648 1 536 . 1 1 45 45 ASN CB C 13 42.1 0.6 . 1 . . . . 45 Asn CB . 16648 1 537 . 1 1 45 45 ASN N N 15 110.975 0.6 . 1 . . . . 45 Asn N . 16648 1 538 . 1 1 45 45 ASN ND2 N 15 110.67 0.6 . 1 . . . . 45 Asn ND2 . 16648 1 539 . 1 1 46 46 TYR H H 1 8.367 0.06 . 1 . . . . 46 Tyr H . 16648 1 540 . 1 1 46 46 TYR HA H 1 5.35 0.06 . 1 . . . . 46 Tyr HA . 16648 1 541 . 1 1 46 46 TYR HB2 H 1 2.980 0.06 . 2 . . . . 46 Tyr HB2 . 16648 1 542 . 1 1 46 46 TYR HB3 H 1 3.140 0.06 . 2 . . . . 46 Tyr HB3 . 16648 1 543 . 1 1 46 46 TYR C C 13 177.348 0.6 . 1 . . . . 46 Tyr C . 16648 1 544 . 1 1 46 46 TYR CA C 13 61.422 0.6 . 1 . . . . 46 Tyr CA . 16648 1 545 . 1 1 46 46 TYR CB C 13 36.26 0.6 . 1 . . . . 46 Tyr CB . 16648 1 546 . 1 1 46 46 TYR CE1 C 13 118.11 0.6 . 3 . . . . 46 Tyr CE1 . 16648 1 547 . 1 1 46 46 TYR CE2 C 13 118.11 0.6 . 3 . . . . 46 Tyr CE2 . 16648 1 548 . 1 1 46 46 TYR N N 15 123.444 0.6 . 1 . . . . 46 Tyr N . 16648 1 549 . 1 1 47 47 TYR HA H 1 4.079 0.06 . 1 . . . . 47 Tyr HA . 16648 1 550 . 1 1 47 47 TYR HB2 H 1 2.899 0.06 . 2 . . . . 47 Tyr HB2 . 16648 1 551 . 1 1 47 47 TYR HB3 H 1 2.745 0.06 . 2 . . . . 47 Tyr HB3 . 16648 1 552 . 1 1 47 47 TYR C C 13 175.748 0.6 . 1 . . . . 47 Tyr C . 16648 1 553 . 1 1 47 47 TYR CA C 13 59.325 0.6 . 1 . . . . 47 Tyr CA . 16648 1 554 . 1 1 47 47 TYR CB C 13 36.434 0.6 . 1 . . . . 47 Tyr CB . 16648 1 555 . 1 1 48 48 GLN H H 1 6.629 0.06 . 1 . . . . 48 Gln H . 16648 1 556 . 1 1 48 48 GLN HA H 1 3.858 0.06 . 1 . . . . 48 Gln HA . 16648 1 557 . 1 1 48 48 GLN HB2 H 1 2.051 0.06 . 2 . . . . 48 Gln HB2 . 16648 1 558 . 1 1 48 48 GLN HB3 H 1 1.820 0.06 . 2 . . . . 48 Gln HB3 . 16648 1 559 . 1 1 48 48 GLN HG2 H 1 1.791 0.06 . 2 . . . . 48 Gln HG2 . 16648 1 560 . 1 1 48 48 GLN HG3 H 1 1.48 0.06 . 2 . . . . 48 Gln HG3 . 16648 1 561 . 1 1 48 48 GLN C C 13 176.070 0.6 . 1 . . . . 48 Gln C . 16648 1 562 . 1 1 48 48 GLN CA C 13 57.37 0.6 . 1 . . . . 48 Gln CA . 16648 1 563 . 1 1 48 48 GLN CB C 13 28.192 0.6 . 1 . . . . 48 Gln CB . 16648 1 564 . 1 1 48 48 GLN CG C 13 34.22 0.6 . 1 . . . . 48 Gln CG . 16648 1 565 . 1 1 48 48 GLN N N 15 117.6 0.6 . 1 . . . . 48 Gln N . 16648 1 566 . 1 1 49 49 GLY H H 1 7.729 0.06 . 1 . . . . 49 Gly H . 16648 1 567 . 1 1 49 49 GLY HA2 H 1 4.656 0.06 . 2 . . . . 49 Gly HA2 . 16648 1 568 . 1 1 49 49 GLY HA3 H 1 3.868 0.06 . 2 . . . . 49 Gly HA3 . 16648 1 569 . 1 1 49 49 GLY CA C 13 45.292 0.6 . 1 . . . . 49 Gly CA . 16648 1 570 . 1 1 49 49 GLY N N 15 106.971 0.6 . 1 . . . . 49 Gly N . 16648 1 571 . 1 1 50 50 ILE H H 1 8.845 0.06 . 1 . . . . 50 Ile H . 16648 1 572 . 1 1 50 50 ILE HA H 1 5.022 0.06 . 1 . . . . 50 Ile HA . 16648 1 573 . 1 1 50 50 ILE HB H 1 1.90 0.06 . 1 . . . . 50 Ile HB . 16648 1 574 . 1 1 50 50 ILE HD11 H 1 0.924 0.06 . 1 . . . . 50 Ile HD1 . 16648 1 575 . 1 1 50 50 ILE HD12 H 1 0.924 0.06 . 1 . . . . 50 Ile HD1 . 16648 1 576 . 1 1 50 50 ILE HD13 H 1 0.924 0.06 . 1 . . . . 50 Ile HD1 . 16648 1 577 . 1 1 50 50 ILE HG12 H 1 1.978 0.06 . 2 . . . . 50 Ile HG12 . 16648 1 578 . 1 1 50 50 ILE HG13 H 1 1.14 0.06 . 2 . . . . 50 Ile HG13 . 16648 1 579 . 1 1 50 50 ILE HG21 H 1 1.07 0.06 . 1 . . . . 50 Ile HG2 . 16648 1 580 . 1 1 50 50 ILE HG22 H 1 1.07 0.06 . 1 . . . . 50 Ile HG2 . 16648 1 581 . 1 1 50 50 ILE HG23 H 1 1.07 0.06 . 1 . . . . 50 Ile HG2 . 16648 1 582 . 1 1 50 50 ILE C C 13 174.448 0.6 . 1 . . . . 50 Ile C . 16648 1 583 . 1 1 50 50 ILE CA C 13 60.736 0.6 . 1 . . . . 50 Ile CA . 16648 1 584 . 1 1 50 50 ILE CB C 13 42.550 0.6 . 1 . . . . 50 Ile CB . 16648 1 585 . 1 1 50 50 ILE CD1 C 13 15.466 0.6 . 1 . . . . 50 Ile CD1 . 16648 1 586 . 1 1 50 50 ILE CG1 C 13 27.6 0.6 . 1 . . . . 50 Ile CG1 . 16648 1 587 . 1 1 50 50 ILE CG2 C 13 18.52 0.6 . 1 . . . . 50 Ile CG2 . 16648 1 588 . 1 1 50 50 ILE N N 15 125.81 0.6 . 1 . . . . 50 Ile N . 16648 1 589 . 1 1 51 51 GLU H H 1 9.280 0.06 . 1 . . . . 51 Glu H . 16648 1 590 . 1 1 51 51 GLU HA H 1 4.865 0.06 . 1 . . . . 51 Glu HA . 16648 1 591 . 1 1 51 51 GLU HB2 H 1 2.039 0.06 . 2 . . . . 51 Glu HB2 . 16648 1 592 . 1 1 51 51 GLU HB3 H 1 1.930 0.06 . 2 . . . . 51 Glu HB3 . 16648 1 593 . 1 1 51 51 GLU HG2 H 1 2.307 0.06 . 2 . . . . 51 Glu HG2 . 16648 1 594 . 1 1 51 51 GLU HG3 H 1 2.307 0.06 . 2 . . . . 51 Glu HG3 . 16648 1 595 . 1 1 51 51 GLU C C 13 175.340 0.6 . 1 . . . . 51 Glu C . 16648 1 596 . 1 1 51 51 GLU CA C 13 54.882 0.6 . 1 . . . . 51 Glu CA . 16648 1 597 . 1 1 51 51 GLU CB C 13 32.703 0.6 . 1 . . . . 51 Glu CB . 16648 1 598 . 1 1 51 51 GLU CG C 13 36.198 0.6 . 1 . . . . 51 Glu CG . 16648 1 599 . 1 1 51 51 GLU N N 15 127.617 0.6 . 1 . . . . 51 Glu N . 16648 1 600 . 1 1 52 52 ILE H H 1 9.061 0.06 . 1 . . . . 52 Ile H . 16648 1 601 . 1 1 52 52 ILE HA H 1 4.852 0.06 . 1 . . . . 52 Ile HA . 16648 1 602 . 1 1 52 52 ILE HB H 1 2.15 0.06 . 1 . . . . 52 Ile HB . 16648 1 603 . 1 1 52 52 ILE HD11 H 1 0.822 0.06 . 1 . . . . 52 Ile HD1 . 16648 1 604 . 1 1 52 52 ILE HD12 H 1 0.822 0.06 . 1 . . . . 52 Ile HD1 . 16648 1 605 . 1 1 52 52 ILE HD13 H 1 0.822 0.06 . 1 . . . . 52 Ile HD1 . 16648 1 606 . 1 1 52 52 ILE HG12 H 1 1.708 0.06 . 2 . . . . 52 Ile HG12 . 16648 1 607 . 1 1 52 52 ILE HG13 H 1 1.538 0.06 . 2 . . . . 52 Ile HG13 . 16648 1 608 . 1 1 52 52 ILE HG21 H 1 0.978 0.06 . 1 . . . . 52 Ile HG2 . 16648 1 609 . 1 1 52 52 ILE HG22 H 1 0.978 0.06 . 1 . . . . 52 Ile HG2 . 16648 1 610 . 1 1 52 52 ILE HG23 H 1 0.978 0.06 . 1 . . . . 52 Ile HG2 . 16648 1 611 . 1 1 52 52 ILE C C 13 175.798 0.6 . 1 . . . . 52 Ile C . 16648 1 612 . 1 1 52 52 ILE CA C 13 59.055 0.6 . 1 . . . . 52 Ile CA . 16648 1 613 . 1 1 52 52 ILE CB C 13 38.804 0.6 . 1 . . . . 52 Ile CB . 16648 1 614 . 1 1 52 52 ILE CD1 C 13 11.594 0.6 . 1 . . . . 52 Ile CD1 . 16648 1 615 . 1 1 52 52 ILE CG1 C 13 27.518 0.6 . 1 . . . . 52 Ile CG1 . 16648 1 616 . 1 1 52 52 ILE CG2 C 13 16.798 0.6 . 1 . . . . 52 Ile CG2 . 16648 1 617 . 1 1 52 52 ILE N N 15 126.210 0.6 . 1 . . . . 52 Ile N . 16648 1 618 . 1 1 53 53 GLN H H 1 8.755 0.06 . 1 . . . . 53 Gln H . 16648 1 619 . 1 1 53 53 GLN HA H 1 4.656 0.06 . 1 . . . . 53 Gln HA . 16648 1 620 . 1 1 53 53 GLN HB2 H 1 1.942 0.06 . 2 . . . . 53 Gln HB2 . 16648 1 621 . 1 1 53 53 GLN HB3 H 1 1.860 0.06 . 2 . . . . 53 Gln HB3 . 16648 1 622 . 1 1 53 53 GLN HG2 H 1 2.265 0.06 . 2 . . . . 53 Gln HG2 . 16648 1 623 . 1 1 53 53 GLN HG3 H 1 2.265 0.06 . 2 . . . . 53 Gln HG3 . 16648 1 624 . 1 1 53 53 GLN C C 13 173.594 0.6 . 1 . . . . 53 Gln C . 16648 1 625 . 1 1 53 53 GLN CA C 13 54.703 0.6 . 1 . . . . 53 Gln CA . 16648 1 626 . 1 1 53 53 GLN CB C 13 29.173 0.6 . 1 . . . . 53 Gln CB . 16648 1 627 . 1 1 53 53 GLN CG C 13 33.455 0.6 . 1 . . . . 53 Gln CG . 16648 1 628 . 1 1 53 53 GLN N N 15 127.724 0.6 . 1 . . . . 53 Gln N . 16648 1 629 . 1 1 54 54 GLN H H 1 9.235 0.06 . 1 . . . . 54 Gln H . 16648 1 630 . 1 1 54 54 GLN HA H 1 4.3 0.06 . 1 . . . . 54 Gln HA . 16648 1 631 . 1 1 54 54 GLN HB2 H 1 2.194 0.06 . 2 . . . . 54 Gln HB2 . 16648 1 632 . 1 1 54 54 GLN HB3 H 1 2.06 0.06 . 2 . . . . 54 Gln HB3 . 16648 1 633 . 1 1 54 54 GLN HG2 H 1 2.4 0.06 . 2 . . . . 54 Gln HG2 . 16648 1 634 . 1 1 54 54 GLN HG3 H 1 2.4 0.06 . 2 . . . . 54 Gln HG3 . 16648 1 635 . 1 1 54 54 GLN C C 13 174.810 0.6 . 1 . . . . 54 Gln C . 16648 1 636 . 1 1 54 54 GLN CA C 13 56.0 0.6 . 1 . . . . 54 Gln CA . 16648 1 637 . 1 1 54 54 GLN CB C 13 29.22 0.6 . 1 . . . . 54 Gln CB . 16648 1 638 . 1 1 54 54 GLN CG C 13 34.0 0.6 . 1 . . . . 54 Gln CG . 16648 1 639 . 1 1 54 54 GLN N N 15 127.228 0.6 . 1 . . . . 54 Gln N . 16648 1 640 . 1 1 55 55 HIS H H 1 8.501 0.06 . 1 . . . . 55 His H . 16648 1 641 . 1 1 55 55 HIS HA H 1 4.963 0.06 . 1 . . . . 55 His HA . 16648 1 642 . 1 1 55 55 HIS HB2 H 1 3.329 0.06 . 2 . . . . 55 His HB2 . 16648 1 643 . 1 1 55 55 HIS HB3 H 1 3.107 0.06 . 2 . . . . 55 His HB3 . 16648 1 644 . 1 1 55 55 HIS HD2 H 1 6.53 0.06 . 1 . . . . 55 His HD2 . 16648 1 645 . 1 1 55 55 HIS C C 13 175.148 0.6 . 1 . . . . 55 His C . 16648 1 646 . 1 1 55 55 HIS CA C 13 55.524 0.6 . 1 . . . . 55 His CA . 16648 1 647 . 1 1 55 55 HIS CB C 13 31.7 0.6 . 1 . . . . 55 His CB . 16648 1 648 . 1 1 55 55 HIS CD2 C 13 118.6 0.6 . 1 . . . . 55 His CD2 . 16648 1 649 . 1 1 55 55 HIS N N 15 123.757 0.6 . 1 . . . . 55 His N . 16648 1 650 . 1 1 56 56 LYS H H 1 7.444 0.06 . 1 . . . . 56 Lys H . 16648 1 651 . 1 1 56 56 LYS HA H 1 4.671 0.06 . 1 . . . . 56 Lys HA . 16648 1 652 . 1 1 56 56 LYS HB2 H 1 1.346 0.06 . 2 . . . . 56 Lys HB2 . 16648 1 653 . 1 1 56 56 LYS HB3 H 1 1.266 0.06 . 2 . . . . 56 Lys HB3 . 16648 1 654 . 1 1 56 56 LYS HD2 H 1 1.52 0.06 . 2 . . . . 56 Lys HD2 . 16648 1 655 . 1 1 56 56 LYS HD3 H 1 1.52 0.06 . 2 . . . . 56 Lys HD3 . 16648 1 656 . 1 1 56 56 LYS HG2 H 1 1.342 0.06 . 2 . . . . 56 Lys HG2 . 16648 1 657 . 1 1 56 56 LYS HG3 H 1 1.215 0.06 . 2 . . . . 56 Lys HG3 . 16648 1 658 . 1 1 56 56 LYS C C 13 174.915 0.6 . 1 . . . . 56 Lys C . 16648 1 659 . 1 1 56 56 LYS CA C 13 54.735 0.6 . 1 . . . . 56 Lys CA . 16648 1 660 . 1 1 56 56 LYS CB C 13 38.503 0.6 . 1 . . . . 56 Lys CB . 16648 1 661 . 1 1 56 56 LYS CD C 13 29.554 0.6 . 1 . . . . 56 Lys CD . 16648 1 662 . 1 1 56 56 LYS CE C 13 42.15 0.6 . 1 . . . . 56 Lys CE . 16648 1 663 . 1 1 56 56 LYS CG C 13 25.599 0.6 . 1 . . . . 56 Lys CG . 16648 1 664 . 1 1 56 56 LYS N N 15 115.021 0.6 . 1 . . . . 56 Lys N . 16648 1 665 . 1 1 57 57 TYR H H 1 8.881 0.06 . 1 . . . . 57 Tyr H . 16648 1 666 . 1 1 57 57 TYR HA H 1 4.750 0.06 . 1 . . . . 57 Tyr HA . 16648 1 667 . 1 1 57 57 TYR HB2 H 1 3.357 0.06 . 2 . . . . 57 Tyr HB2 . 16648 1 668 . 1 1 57 57 TYR HB3 H 1 3.067 0.06 . 2 . . . . 57 Tyr HB3 . 16648 1 669 . 1 1 57 57 TYR HD1 H 1 6.93 0.06 . 3 . . . . 57 Tyr HD1 . 16648 1 670 . 1 1 57 57 TYR HD2 H 1 6.93 0.06 . 3 . . . . 57 Tyr HD2 . 16648 1 671 . 1 1 57 57 TYR HE1 H 1 6.53 0.06 . 3 . . . . 57 Tyr HE1 . 16648 1 672 . 1 1 57 57 TYR HE2 H 1 6.53 0.06 . 3 . . . . 57 Tyr HE2 . 16648 1 673 . 1 1 57 57 TYR C C 13 177.055 0.6 . 1 . . . . 57 Tyr C . 16648 1 674 . 1 1 57 57 TYR CA C 13 58.251 0.6 . 1 . . . . 57 Tyr CA . 16648 1 675 . 1 1 57 57 TYR CB C 13 36.303 0.6 . 1 . . . . 57 Tyr CB . 16648 1 676 . 1 1 57 57 TYR CD1 C 13 132.76 0.6 . 3 . . . . 57 Tyr CD1 . 16648 1 677 . 1 1 57 57 TYR CD2 C 13 132.76 0.6 . 3 . . . . 57 Tyr CD2 . 16648 1 678 . 1 1 57 57 TYR CE1 C 13 118.66 0.6 . 3 . . . . 57 Tyr CE1 . 16648 1 679 . 1 1 57 57 TYR CE2 C 13 118.66 0.6 . 3 . . . . 57 Tyr CE2 . 16648 1 680 . 1 1 57 57 TYR N N 15 113.634 0.6 . 1 . . . . 57 Tyr N . 16648 1 681 . 1 1 58 58 GLN H H 1 9.344 0.06 . 1 . . . . 58 Gln H . 16648 1 682 . 1 1 58 58 GLN HA H 1 4.060 0.06 . 1 . . . . 58 Gln HA . 16648 1 683 . 1 1 58 58 GLN HB2 H 1 2.089 0.06 . 2 . . . . 58 Gln HB2 . 16648 1 684 . 1 1 58 58 GLN HB3 H 1 1.943 0.06 . 2 . . . . 58 Gln HB3 . 16648 1 685 . 1 1 58 58 GLN HE21 H 1 7.66 0.06 . 2 . . . . 58 Gln HE21 . 16648 1 686 . 1 1 58 58 GLN HE22 H 1 7.35 0.06 . 2 . . . . 58 Gln HE22 . 16648 1 687 . 1 1 58 58 GLN HG2 H 1 2.554 0.06 . 2 . . . . 58 Gln HG2 . 16648 1 688 . 1 1 58 58 GLN HG3 H 1 2.04 0.06 . 2 . . . . 58 Gln HG3 . 16648 1 689 . 1 1 58 58 GLN C C 13 177.751 0.6 . 1 . . . . 58 Gln C . 16648 1 690 . 1 1 58 58 GLN CA C 13 60.835 0.6 . 1 . . . . 58 Gln CA . 16648 1 691 . 1 1 58 58 GLN CB C 13 28.275 0.6 . 1 . . . . 58 Gln CB . 16648 1 692 . 1 1 58 58 GLN CG C 13 34.585 0.6 . 1 . . . . 58 Gln CG . 16648 1 693 . 1 1 58 58 GLN N N 15 119.012 0.6 . 1 . . . . 58 Gln N . 16648 1 694 . 1 1 58 58 GLN NE2 N 15 109.5 0.6 . 1 . . . . 58 Gln NE2 . 16648 1 695 . 1 1 59 59 ASN H H 1 8.717 0.06 . 1 . . . . 59 Asn H . 16648 1 696 . 1 1 59 59 ASN HA H 1 4.636 0.06 . 1 . . . . 59 Asn HA . 16648 1 697 . 1 1 59 59 ASN HB2 H 1 2.791 0.06 . 2 . . . . 59 Asn HB2 . 16648 1 698 . 1 1 59 59 ASN HB3 H 1 2.792 0.06 . 2 . . . . 59 Asn HB3 . 16648 1 699 . 1 1 59 59 ASN HD21 H 1 7.77 0.06 . 2 . . . . 59 Asn HD21 . 16648 1 700 . 1 1 59 59 ASN HD22 H 1 7.02 0.06 . 2 . . . . 59 Asn HD22 . 16648 1 701 . 1 1 59 59 ASN C C 13 175.860 0.6 . 1 . . . . 59 Asn C . 16648 1 702 . 1 1 59 59 ASN CA C 13 54.717 0.6 . 1 . . . . 59 Asn CA . 16648 1 703 . 1 1 59 59 ASN CB C 13 38.638 0.6 . 1 . . . . 59 Asn CB . 16648 1 704 . 1 1 59 59 ASN N N 15 113.155 0.6 . 1 . . . . 59 Asn N . 16648 1 705 . 1 1 59 59 ASN ND2 N 15 113.9 0.6 . 1 . . . . 59 Asn ND2 . 16648 1 706 . 1 1 60 60 GLU H H 1 8.153 0.06 . 1 . . . . 60 Glu H . 16648 1 707 . 1 1 60 60 GLU HA H 1 4.347 0.06 . 1 . . . . 60 Glu HA . 16648 1 708 . 1 1 60 60 GLU HB2 H 1 2.166 0.06 . 2 . . . . 60 Glu HB2 . 16648 1 709 . 1 1 60 60 GLU HB3 H 1 2.053 0.06 . 2 . . . . 60 Glu HB3 . 16648 1 710 . 1 1 60 60 GLU HG2 H 1 2.52 0.06 . 2 . . . . 60 Glu HG2 . 16648 1 711 . 1 1 60 60 GLU HG3 H 1 2.52 0.06 . 2 . . . . 60 Glu HG3 . 16648 1 712 . 1 1 60 60 GLU C C 13 176.792 0.6 . 1 . . . . 60 Glu C . 16648 1 713 . 1 1 60 60 GLU CA C 13 59.212 0.6 . 1 . . . . 60 Glu CA . 16648 1 714 . 1 1 60 60 GLU CB C 13 32.136 0.6 . 1 . . . . 60 Glu CB . 16648 1 715 . 1 1 60 60 GLU CG C 13 36.480 0.6 . 1 . . . . 60 Glu CG . 16648 1 716 . 1 1 60 60 GLU N N 15 117.194 0.6 . 1 . . . . 60 Glu N . 16648 1 717 . 1 1 61 61 LEU H H 1 8.638 0.06 . 1 . . . . 61 Leu H . 16648 1 718 . 1 1 61 61 LEU HA H 1 5.635 0.06 . 1 . . . . 61 Leu HA . 16648 1 719 . 1 1 61 61 LEU HB2 H 1 2.14 0.06 . 2 . . . . 61 Leu HB2 . 16648 1 720 . 1 1 61 61 LEU HB3 H 1 1.31 0.06 . 2 . . . . 61 Leu HB3 . 16648 1 721 . 1 1 61 61 LEU HD11 H 1 0.89 0.06 . 2 . . . . 61 Leu HD1 . 16648 1 722 . 1 1 61 61 LEU HD12 H 1 0.89 0.06 . 2 . . . . 61 Leu HD1 . 16648 1 723 . 1 1 61 61 LEU HD13 H 1 0.89 0.06 . 2 . . . . 61 Leu HD1 . 16648 1 724 . 1 1 61 61 LEU HD21 H 1 0.89 0.06 . 2 . . . . 61 Leu HD2 . 16648 1 725 . 1 1 61 61 LEU HD22 H 1 0.89 0.06 . 2 . . . . 61 Leu HD2 . 16648 1 726 . 1 1 61 61 LEU HD23 H 1 0.89 0.06 . 2 . . . . 61 Leu HD2 . 16648 1 727 . 1 1 61 61 LEU HG H 1 0.65 0.06 . 1 . . . . 61 Leu HG . 16648 1 728 . 1 1 61 61 LEU C C 13 174.291 0.6 . 1 . . . . 61 Leu C . 16648 1 729 . 1 1 61 61 LEU CA C 13 54.202 0.6 . 1 . . . . 61 Leu CA . 16648 1 730 . 1 1 61 61 LEU CB C 13 46.5 0.6 . 1 . . . . 61 Leu CB . 16648 1 731 . 1 1 61 61 LEU CD1 C 13 24.99 0.6 . 2 . . . . 61 Leu CD1 . 16648 1 732 . 1 1 61 61 LEU CD2 C 13 24.99 0.6 . 2 . . . . 61 Leu CD2 . 16648 1 733 . 1 1 61 61 LEU CG C 13 26.637 0.6 . 1 . . . . 61 Leu CG . 16648 1 734 . 1 1 61 61 LEU N N 15 123.189 0.6 . 1 . . . . 61 Leu N . 16648 1 735 . 1 1 62 62 ASP H H 1 8.801 0.06 . 1 . . . . 62 Asp H . 16648 1 736 . 1 1 62 62 ASP HA H 1 5.33 0.06 . 1 . . . . 62 Asp HA . 16648 1 737 . 1 1 62 62 ASP HB2 H 1 2.667 0.06 . 2 . . . . 62 Asp HB2 . 16648 1 738 . 1 1 62 62 ASP HB3 H 1 2.431 0.06 . 2 . . . . 62 Asp HB3 . 16648 1 739 . 1 1 62 62 ASP C C 13 174.580 0.6 . 1 . . . . 62 Asp C . 16648 1 740 . 1 1 62 62 ASP CA C 13 53.151 0.6 . 1 . . . . 62 Asp CA . 16648 1 741 . 1 1 62 62 ASP CB C 13 45.273 0.6 . 1 . . . . 62 Asp CB . 16648 1 742 . 1 1 62 62 ASP N N 15 125.578 0.6 . 1 . . . . 62 Asp N . 16648 1 743 . 1 1 63 63 ILE H H 1 7.864 0.06 . 1 . . . . 63 Ile H . 16648 1 744 . 1 1 63 63 ILE HA H 1 4.289 0.06 . 1 . . . . 63 Ile HA . 16648 1 745 . 1 1 63 63 ILE HB H 1 1.203 0.06 . 1 . . . . 63 Ile HB . 16648 1 746 . 1 1 63 63 ILE HD11 H 1 0.404 0.06 . 1 . . . . 63 Ile HD1 . 16648 1 747 . 1 1 63 63 ILE HD12 H 1 0.404 0.06 . 1 . . . . 63 Ile HD1 . 16648 1 748 . 1 1 63 63 ILE HD13 H 1 0.404 0.06 . 1 . . . . 63 Ile HD1 . 16648 1 749 . 1 1 63 63 ILE HG12 H 1 1.32 0.06 . 2 . . . . 63 Ile HG12 . 16648 1 750 . 1 1 63 63 ILE HG13 H 1 1.32 0.06 . 2 . . . . 63 Ile HG13 . 16648 1 751 . 1 1 63 63 ILE HG21 H 1 -0.076 0.06 . 1 . . . . 63 Ile HG2 . 16648 1 752 . 1 1 63 63 ILE HG22 H 1 -0.076 0.06 . 1 . . . . 63 Ile HG2 . 16648 1 753 . 1 1 63 63 ILE HG23 H 1 -0.076 0.06 . 1 . . . . 63 Ile HG2 . 16648 1 754 . 1 1 63 63 ILE C C 13 173.538 0.6 . 1 . . . . 63 Ile C . 16648 1 755 . 1 1 63 63 ILE CA C 13 60.967 0.6 . 1 . . . . 63 Ile CA . 16648 1 756 . 1 1 63 63 ILE CB C 13 41.301 0.6 . 1 . . . . 63 Ile CB . 16648 1 757 . 1 1 63 63 ILE CD1 C 13 14.72 0.6 . 1 . . . . 63 Ile CD1 . 16648 1 758 . 1 1 63 63 ILE CG1 C 13 27.4 0.6 . 1 . . . . 63 Ile CG1 . 16648 1 759 . 1 1 63 63 ILE CG2 C 13 15.98 0.6 . 1 . . . . 63 Ile CG2 . 16648 1 760 . 1 1 63 63 ILE N N 15 122.782 0.6 . 1 . . . . 63 Ile N . 16648 1 761 . 1 1 64 64 LYS H H 1 8.170 0.06 . 1 . . . . 64 Lys H . 16648 1 762 . 1 1 64 64 LYS HA H 1 4.476 0.06 . 1 . . . . 64 Lys HA . 16648 1 763 . 1 1 64 64 LYS HB2 H 1 1.65 0.06 . 2 . . . . 64 Lys HB2 . 16648 1 764 . 1 1 64 64 LYS HB3 H 1 1.65 0.06 . 2 . . . . 64 Lys HB3 . 16648 1 765 . 1 1 64 64 LYS HD2 H 1 1.65 0.06 . 2 . . . . 64 Lys HD2 . 16648 1 766 . 1 1 64 64 LYS HD3 H 1 1.65 0.06 . 2 . . . . 64 Lys HD3 . 16648 1 767 . 1 1 64 64 LYS HG2 H 1 1.461 0.06 . 2 . . . . 64 Lys HG2 . 16648 1 768 . 1 1 64 64 LYS HG3 H 1 1.308 0.06 . 2 . . . . 64 Lys HG3 . 16648 1 769 . 1 1 64 64 LYS C C 13 175.569 0.6 . 1 . . . . 64 Lys C . 16648 1 770 . 1 1 64 64 LYS CA C 13 54.537 0.6 . 1 . . . . 64 Lys CA . 16648 1 771 . 1 1 64 64 LYS CB C 13 36.45 0.6 . 1 . . . . 64 Lys CB . 16648 1 772 . 1 1 64 64 LYS CD C 13 29.01 0.6 . 1 . . . . 64 Lys CD . 16648 1 773 . 1 1 64 64 LYS CE C 13 42.586 0.6 . 1 . . . . 64 Lys CE . 16648 1 774 . 1 1 64 64 LYS CG C 13 25.004 0.6 . 1 . . . . 64 Lys CG . 16648 1 775 . 1 1 64 64 LYS N N 15 124.657 0.6 . 1 . . . . 64 Lys N . 16648 1 776 . 1 1 65 65 ILE H H 1 8.6 0.06 . 1 . . . . 65 Ile H . 16648 1 777 . 1 1 65 65 ILE HA H 1 4.06 0.06 . 1 . . . . 65 Ile HA . 16648 1 778 . 1 1 65 65 ILE HB H 1 1.345 0.06 . 1 . . . . 65 Ile HB . 16648 1 779 . 1 1 65 65 ILE HD11 H 1 0.428 0.06 . 1 . . . . 65 Ile HD1 . 16648 1 780 . 1 1 65 65 ILE HD12 H 1 0.428 0.06 . 1 . . . . 65 Ile HD1 . 16648 1 781 . 1 1 65 65 ILE HD13 H 1 0.428 0.06 . 1 . . . . 65 Ile HD1 . 16648 1 782 . 1 1 65 65 ILE HG21 H 1 -0.269 0.06 . 1 . . . . 65 Ile HG2 . 16648 1 783 . 1 1 65 65 ILE HG22 H 1 -0.269 0.06 . 1 . . . . 65 Ile HG2 . 16648 1 784 . 1 1 65 65 ILE HG23 H 1 -0.269 0.06 . 1 . . . . 65 Ile HG2 . 16648 1 785 . 1 1 65 65 ILE CA C 13 60.9 0.6 . 1 . . . . 65 Ile CA . 16648 1 786 . 1 1 65 65 ILE CB C 13 38.68 0.6 . 1 . . . . 65 Ile CB . 16648 1 787 . 1 1 65 65 ILE CD1 C 13 15.07 0.6 . 1 . . . . 65 Ile CD1 . 16648 1 788 . 1 1 65 65 ILE CG1 C 13 27.47 0.6 . 1 . . . . 65 Ile CG1 . 16648 1 789 . 1 1 65 65 ILE CG2 C 13 17.25 0.6 . 1 . . . . 65 Ile CG2 . 16648 1 790 . 1 1 65 65 ILE N N 15 123.131 0.6 . 1 . . . . 65 Ile N . 16648 1 791 . 1 1 66 66 ILE HA H 1 4.07 0.06 . 1 . . . . 66 Ile HA . 16648 1 792 . 1 1 66 66 ILE HB H 1 1.849 0.06 . 1 . . . . 66 Ile HB . 16648 1 793 . 1 1 66 66 ILE HD11 H 1 0.85 0.06 . 1 . . . . 66 Ile HD1 . 16648 1 794 . 1 1 66 66 ILE HD12 H 1 0.85 0.06 . 1 . . . . 66 Ile HD1 . 16648 1 795 . 1 1 66 66 ILE HD13 H 1 0.85 0.06 . 1 . . . . 66 Ile HD1 . 16648 1 796 . 1 1 66 66 ILE HG12 H 1 1.339 0.06 . 2 . . . . 66 Ile HG12 . 16648 1 797 . 1 1 66 66 ILE HG13 H 1 0.97 0.06 . 2 . . . . 66 Ile HG13 . 16648 1 798 . 1 1 66 66 ILE HG21 H 1 0.85 0.06 . 1 . . . . 66 Ile HG2 . 16648 1 799 . 1 1 66 66 ILE HG22 H 1 0.85 0.06 . 1 . . . . 66 Ile HG2 . 16648 1 800 . 1 1 66 66 ILE HG23 H 1 0.85 0.06 . 1 . . . . 66 Ile HG2 . 16648 1 801 . 1 1 66 66 ILE C C 13 175.719 0.6 . 1 . . . . 66 Ile C . 16648 1 802 . 1 1 66 66 ILE CA C 13 61.3 0.6 . 1 . . . . 66 Ile CA . 16648 1 803 . 1 1 66 66 ILE CB C 13 38.196 0.6 . 1 . . . . 66 Ile CB . 16648 1 804 . 1 1 66 66 ILE CD1 C 13 12.9 0.6 . 1 . . . . 66 Ile CD1 . 16648 1 805 . 1 1 66 66 ILE CG1 C 13 26.7 0.6 . 1 . . . . 66 Ile CG1 . 16648 1 806 . 1 1 66 66 ILE CG2 C 13 17.6 0.6 . 1 . . . . 66 Ile CG2 . 16648 1 807 . 1 1 67 67 ASN H H 1 7.141 0.06 . 1 . . . . 67 Asn H . 16648 1 808 . 1 1 67 67 ASN HA H 1 4.27 0.06 . 1 . . . . 67 Asn HA . 16648 1 809 . 1 1 67 67 ASN HB2 H 1 2.796 0.06 . 2 . . . . 67 Asn HB2 . 16648 1 810 . 1 1 67 67 ASN HB3 H 1 2.796 0.06 . 2 . . . . 67 Asn HB3 . 16648 1 811 . 1 1 67 67 ASN C C 13 171.998 0.6 . 1 . . . . 67 Asn C . 16648 1 812 . 1 1 67 67 ASN CA C 13 52.874 0.6 . 1 . . . . 67 Asn CA . 16648 1 813 . 1 1 67 67 ASN CB C 13 41.891 0.6 . 1 . . . . 67 Asn CB . 16648 1 814 . 1 1 67 67 ASN N N 15 112.344 0.6 . 1 . . . . 67 Asn N . 16648 1 815 . 1 1 68 68 PHE H H 1 6.40 0.06 . 1 . . . . 68 Phe H . 16648 1 816 . 1 1 68 68 PHE HA H 1 4.940 0.06 . 1 . . . . 68 Phe HA . 16648 1 817 . 1 1 68 68 PHE HB2 H 1 2.611 0.06 . 2 . . . . 68 Phe HB2 . 16648 1 818 . 1 1 68 68 PHE HB3 H 1 2.337 0.06 . 2 . . . . 68 Phe HB3 . 16648 1 819 . 1 1 68 68 PHE HD1 H 1 6.212 0.06 . 3 . . . . 68 Phe HD1 . 16648 1 820 . 1 1 68 68 PHE HD2 H 1 6.212 0.06 . 3 . . . . 68 Phe HD2 . 16648 1 821 . 1 1 68 68 PHE HE1 H 1 6.52 0.06 . 3 . . . . 68 Phe HE1 . 16648 1 822 . 1 1 68 68 PHE HE2 H 1 6.52 0.06 . 3 . . . . 68 Phe HE2 . 16648 1 823 . 1 1 68 68 PHE C C 13 173.523 0.6 . 1 . . . . 68 Phe C . 16648 1 824 . 1 1 68 68 PHE CA C 13 56.79 0.6 . 1 . . . . 68 Phe CA . 16648 1 825 . 1 1 68 68 PHE CB C 13 42.357 0.6 . 1 . . . . 68 Phe CB . 16648 1 826 . 1 1 68 68 PHE CD1 C 13 131.8 0.6 . 3 . . . . 68 Phe CD1 . 16648 1 827 . 1 1 68 68 PHE CD2 C 13 131.8 0.6 . 3 . . . . 68 Phe CD2 . 16648 1 828 . 1 1 68 68 PHE CE1 C 13 130.3 0.6 . 3 . . . . 68 Phe CE1 . 16648 1 829 . 1 1 68 68 PHE CE2 C 13 130.3 0.6 . 3 . . . . 68 Phe CE2 . 16648 1 830 . 1 1 68 68 PHE N N 15 114.298 0.6 . 1 . . . . 68 Phe N . 16648 1 831 . 1 1 69 69 LEU H H 1 9.15 0.06 . 1 . . . . 69 Leu H . 16648 1 832 . 1 1 69 69 LEU HA H 1 4.815 0.06 . 1 . . . . 69 Leu HA . 16648 1 833 . 1 1 69 69 LEU HB2 H 1 1.612 0.06 . 2 . . . . 69 Leu HB2 . 16648 1 834 . 1 1 69 69 LEU HB3 H 1 1.364 0.06 . 1 . . . . 69 Leu HB3 . 16648 1 835 . 1 1 69 69 LEU HD11 H 1 0.85 0.06 . 2 . . . . 69 Leu HD1 . 16648 1 836 . 1 1 69 69 LEU HD12 H 1 0.85 0.06 . 2 . . . . 69 Leu HD1 . 16648 1 837 . 1 1 69 69 LEU HD13 H 1 0.85 0.06 . 2 . . . . 69 Leu HD1 . 16648 1 838 . 1 1 69 69 LEU HD21 H 1 0.85 0.06 . 2 . . . . 69 Leu HD2 . 16648 1 839 . 1 1 69 69 LEU HD22 H 1 0.85 0.06 . 2 . . . . 69 Leu HD2 . 16648 1 840 . 1 1 69 69 LEU HD23 H 1 0.85 0.06 . 2 . . . . 69 Leu HD2 . 16648 1 841 . 1 1 69 69 LEU HG H 1 1.448 0.06 . 1 . . . . 69 Leu HG . 16648 1 842 . 1 1 69 69 LEU C C 13 176.112 0.6 . 1 . . . . 69 Leu C . 16648 1 843 . 1 1 69 69 LEU CA C 13 53.542 0.6 . 1 . . . . 69 Leu CA . 16648 1 844 . 1 1 69 69 LEU CB C 13 45.689 0.6 . 1 . . . . 69 Leu CB . 16648 1 845 . 1 1 69 69 LEU CD1 C 13 25.85 0.6 . 2 . . . . 69 Leu CD1 . 16648 1 846 . 1 1 69 69 LEU CD2 C 13 25.85 0.6 . 2 . . . . 69 Leu CD2 . 16648 1 847 . 1 1 69 69 LEU CG C 13 27.0 0.6 . 1 . . . . 69 Leu CG . 16648 1 848 . 1 1 69 69 LEU N N 15 119.32 0.6 . 1 . . . . 69 Leu N . 16648 1 849 . 1 1 70 70 TYR H H 1 8.79 0.06 . 1 . . . . 70 Tyr H . 16648 1 850 . 1 1 70 70 TYR HA H 1 5.01 0.06 . 1 . . . . 70 Tyr HA . 16648 1 851 . 1 1 70 70 TYR HB2 H 1 2.96 0.06 . 2 . . . . 70 Tyr HB2 . 16648 1 852 . 1 1 70 70 TYR HB3 H 1 2.327 0.06 . 2 . . . . 70 Tyr HB3 . 16648 1 853 . 1 1 70 70 TYR HD1 H 1 6.619 0.06 . 3 . . . . 70 Tyr HD1 . 16648 1 854 . 1 1 70 70 TYR HD2 H 1 6.619 0.06 . 3 . . . . 70 Tyr HD2 . 16648 1 855 . 1 1 70 70 TYR HE1 H 1 6.069 0.06 . 3 . . . . 70 Tyr HE1 . 16648 1 856 . 1 1 70 70 TYR HE2 H 1 6.069 0.06 . 3 . . . . 70 Tyr HE2 . 16648 1 857 . 1 1 70 70 TYR CA C 13 54.420 0.6 . 1 . . . . 70 Tyr CA . 16648 1 858 . 1 1 70 70 TYR CB C 13 37.2 0.6 . 1 . . . . 70 Tyr CB . 16648 1 859 . 1 1 70 70 TYR CD1 C 13 131.32 0.6 . 3 . . . . 70 Tyr CD1 . 16648 1 860 . 1 1 70 70 TYR CD2 C 13 131.32 0.6 . 3 . . . . 70 Tyr CD2 . 16648 1 861 . 1 1 70 70 TYR CE1 C 13 117 0.6 . 3 . . . . 70 Tyr CE1 . 16648 1 862 . 1 1 70 70 TYR CE2 C 13 117 0.6 . 3 . . . . 70 Tyr CE2 . 16648 1 863 . 1 1 70 70 TYR N N 15 121.9 0.6 . 1 . . . . 70 Tyr N . 16648 1 864 . 1 1 72 72 ASP HA H 1 4.756 0.06 . 1 . . . . 72 Asp HA . 16648 1 865 . 1 1 72 72 ASP HB2 H 1 2.8 0.06 . 2 . . . . 72 Asp HB2 . 16648 1 866 . 1 1 72 72 ASP HB3 H 1 2.8 0.06 . 2 . . . . 72 Asp HB3 . 16648 1 867 . 1 1 72 72 ASP C C 13 176.532 0.6 . 1 . . . . 72 Asp C . 16648 1 868 . 1 1 72 72 ASP CA C 13 54.141 0.6 . 1 . . . . 72 Asp CA . 16648 1 869 . 1 1 72 72 ASP CB C 13 41.19 0.6 . 1 . . . . 72 Asp CB . 16648 1 870 . 1 1 73 73 GLY H H 1 7.812 0.06 . 1 . . . . 73 Gly H . 16648 1 871 . 1 1 73 73 GLY HA2 H 1 4.296 0.06 . 2 . . . . 73 Gly HA2 . 16648 1 872 . 1 1 73 73 GLY HA3 H 1 3.92 0.06 . 2 . . . . 73 Gly HA3 . 16648 1 873 . 1 1 73 73 GLY C C 13 173.284 0.6 . 1 . . . . 73 Gly C . 16648 1 874 . 1 1 73 73 GLY CA C 13 46.12 0.6 . 1 . . . . 73 Gly CA . 16648 1 875 . 1 1 73 73 GLY N N 15 106.396 0.6 . 1 . . . . 73 Gly N . 16648 1 876 . 1 1 74 74 ASP H H 1 7.689 0.06 . 1 . . . . 74 Asp H . 16648 1 877 . 1 1 74 74 ASP HA H 1 4.849 0.06 . 1 . . . . 74 Asp HA . 16648 1 878 . 1 1 74 74 ASP HB2 H 1 2.786 0.06 . 2 . . . . 74 Asp HB2 . 16648 1 879 . 1 1 74 74 ASP HB3 H 1 2.434 0.06 . 2 . . . . 74 Asp HB3 . 16648 1 880 . 1 1 74 74 ASP C C 13 175.359 0.6 . 1 . . . . 74 Asp C . 16648 1 881 . 1 1 74 74 ASP CA C 13 52.880 0.6 . 1 . . . . 74 Asp CA . 16648 1 882 . 1 1 74 74 ASP CB C 13 43.442 0.6 . 1 . . . . 74 Asp CB . 16648 1 883 . 1 1 74 74 ASP N N 15 119.728 0.6 . 1 . . . . 74 Asp N . 16648 1 884 . 1 1 75 75 PHE H H 1 8.343 0.06 . 1 . . . . 75 Phe H . 16648 1 885 . 1 1 75 75 PHE HB2 H 1 2.550 0.06 . 2 . . . . 75 Phe HB2 . 16648 1 886 . 1 1 75 75 PHE HB3 H 1 2.04 0.06 . 2 . . . . 75 Phe HB3 . 16648 1 887 . 1 1 75 75 PHE HD1 H 1 6.6 0.06 . 3 . . . . 75 Phe HD1 . 16648 1 888 . 1 1 75 75 PHE HD2 H 1 6.6 0.06 . 3 . . . . 75 Phe HD2 . 16648 1 889 . 1 1 75 75 PHE HE1 H 1 7.09 0.06 . 3 . . . . 75 Phe HE1 . 16648 1 890 . 1 1 75 75 PHE HE2 H 1 7.09 0.06 . 3 . . . . 75 Phe HE2 . 16648 1 891 . 1 1 75 75 PHE CA C 13 59.267 0.6 . 1 . . . . 75 Phe CA . 16648 1 892 . 1 1 75 75 PHE CB C 13 34.7 0.6 . 1 . . . . 75 Phe CB . 16648 1 893 . 1 1 75 75 PHE CD1 C 13 132.9 0.6 . 3 . . . . 75 Phe CD1 . 16648 1 894 . 1 1 75 75 PHE CD2 C 13 132.9 0.6 . 3 . . . . 75 Phe CD2 . 16648 1 895 . 1 1 75 75 PHE CE1 C 13 131.8 0.6 . 3 . . . . 75 Phe CE1 . 16648 1 896 . 1 1 75 75 PHE CE2 C 13 131.8 0.6 . 3 . . . . 75 Phe CE2 . 16648 1 897 . 1 1 75 75 PHE N N 15 125.786 0.6 . 1 . . . . 75 Phe N . 16648 1 898 . 1 1 76 76 GLY H H 1 7.439 0.06 . 1 . . . . 76 Gly H . 16648 1 899 . 1 1 76 76 GLY HA2 H 1 3.371 0.06 . 2 . . . . 76 Gly HA2 . 16648 1 900 . 1 1 76 76 GLY HA3 H 1 3.22 0.06 . 2 . . . . 76 Gly HA3 . 16648 1 901 . 1 1 76 76 GLY C C 13 176.492 0.6 . 1 . . . . 76 Gly C . 16648 1 902 . 1 1 76 76 GLY CA C 13 46.674 0.6 . 1 . . . . 76 Gly CA . 16648 1 903 . 1 1 76 76 GLY N N 15 110.87 0.6 . 1 . . . . 76 Gly N . 16648 1 904 . 1 1 77 77 SER H H 1 7.893 0.06 . 1 . . . . 77 Ser H . 16648 1 905 . 1 1 77 77 SER HA H 1 4.050 0.06 . 1 . . . . 77 Ser HA . 16648 1 906 . 1 1 77 77 SER HB2 H 1 3.876 0.06 . 2 . . . . 77 Ser HB2 . 16648 1 907 . 1 1 77 77 SER HB3 H 1 3.876 0.06 . 2 . . . . 77 Ser HB3 . 16648 1 908 . 1 1 77 77 SER C C 13 176.482 0.6 . 1 . . . . 77 Ser C . 16648 1 909 . 1 1 77 77 SER CA C 13 60.766 0.6 . 1 . . . . 77 Ser CA . 16648 1 910 . 1 1 77 77 SER CB C 13 62.53 0.6 . 1 . . . . 77 Ser CB . 16648 1 911 . 1 1 77 77 SER N N 15 117.851 0.6 . 1 . . . . 77 Ser N . 16648 1 912 . 1 1 78 78 ALA H H 1 7.38 0.06 . 1 . . . . 78 Ala H . 16648 1 913 . 1 1 78 78 ALA HA H 1 4.33 0.06 . 1 . . . . 78 Ala HA . 16648 1 914 . 1 1 78 78 ALA HB1 H 1 1.682 0.06 . 1 . . . . 78 Ala HB . 16648 1 915 . 1 1 78 78 ALA HB2 H 1 1.682 0.06 . 1 . . . . 78 Ala HB . 16648 1 916 . 1 1 78 78 ALA HB3 H 1 1.682 0.06 . 1 . . . . 78 Ala HB . 16648 1 917 . 1 1 78 78 ALA C C 13 180.172 0.6 . 1 . . . . 78 Ala C . 16648 1 918 . 1 1 78 78 ALA CA C 13 55.141 0.6 . 1 . . . . 78 Ala CA . 16648 1 919 . 1 1 78 78 ALA CB C 13 19.771 0.6 . 1 . . . . 78 Ala CB . 16648 1 920 . 1 1 78 78 ALA N N 15 124.8 0.6 . 1 . . . . 78 Ala N . 16648 1 921 . 1 1 79 79 ASN H H 1 8.471 0.06 . 1 . . . . 79 Asn H . 16648 1 922 . 1 1 79 79 ASN HA H 1 4.63 0.06 . 1 . . . . 79 Asn HA . 16648 1 923 . 1 1 79 79 ASN HB2 H 1 2.775 0.06 . 2 . . . . 79 Asn HB2 . 16648 1 924 . 1 1 79 79 ASN HB3 H 1 2.775 0.06 . 2 . . . . 79 Asn HB3 . 16648 1 925 . 1 1 79 79 ASN C C 13 177.640 0.6 . 1 . . . . 79 Asn C . 16648 1 926 . 1 1 79 79 ASN CA C 13 55.078 0.6 . 1 . . . . 79 Asn CA . 16648 1 927 . 1 1 79 79 ASN CB C 13 38.271 0.6 . 1 . . . . 79 Asn CB . 16648 1 928 . 1 1 79 79 ASN N N 15 116.675 0.6 . 1 . . . . 79 Asn N . 16648 1 929 . 1 1 80 80 LYS H H 1 8.042 0.06 . 1 . . . . 80 Lys H . 16648 1 930 . 1 1 80 80 LYS HA H 1 4.184 0.06 . 1 . . . . 80 Lys HA . 16648 1 931 . 1 1 80 80 LYS HB2 H 1 1.86 0.06 . 2 . . . . 80 Lys HB2 . 16648 1 932 . 1 1 80 80 LYS HB3 H 1 1.86 0.06 . 2 . . . . 80 Lys HB3 . 16648 1 933 . 1 1 80 80 LYS HD2 H 1 1.6 0.06 . 2 . . . . 80 Lys HD2 . 16648 1 934 . 1 1 80 80 LYS HD3 H 1 1.6 0.06 . 2 . . . . 80 Lys HD3 . 16648 1 935 . 1 1 80 80 LYS HG2 H 1 1.449 0.06 . 2 . . . . 80 Lys HG2 . 16648 1 936 . 1 1 80 80 LYS HG3 H 1 1.364 0.06 . 2 . . . . 80 Lys HG3 . 16648 1 937 . 1 1 80 80 LYS C C 13 177.367 0.6 . 1 . . . . 80 Lys C . 16648 1 938 . 1 1 80 80 LYS CA C 13 59.07 0.6 . 1 . . . . 80 Lys CA . 16648 1 939 . 1 1 80 80 LYS CB C 13 32.65 0.6 . 1 . . . . 80 Lys CB . 16648 1 940 . 1 1 80 80 LYS CD C 13 29.5 0.6 . 1 . . . . 80 Lys CD . 16648 1 941 . 1 1 80 80 LYS CE C 13 42.145 0.6 . 1 . . . . 80 Lys CE . 16648 1 942 . 1 1 80 80 LYS CG C 13 25.0 0.6 . 1 . . . . 80 Lys CG . 16648 1 943 . 1 1 80 80 LYS N N 15 120.911 0.6 . 1 . . . . 80 Lys N . 16648 1 944 . 1 1 81 81 ASN H H 1 7.640 0.06 . 1 . . . . 81 Asn H . 16648 1 945 . 1 1 81 81 ASN HA H 1 4.850 0.06 . 1 . . . . 81 Asn HA . 16648 1 946 . 1 1 81 81 ASN HB2 H 1 2.9 0.06 . 2 . . . . 81 Asn HB2 . 16648 1 947 . 1 1 81 81 ASN HB3 H 1 2.9 0.06 . 2 . . . . 81 Asn HB3 . 16648 1 948 . 1 1 81 81 ASN C C 13 176.702 0.6 . 1 . . . . 81 Asn C . 16648 1 949 . 1 1 81 81 ASN CA C 13 53.275 0.6 . 1 . . . . 81 Asn CA . 16648 1 950 . 1 1 81 81 ASN CB C 13 40.2 0.6 . 1 . . . . 81 Asn CB . 16648 1 951 . 1 1 81 81 ASN N N 15 112.6 0.6 . 1 . . . . 81 Asn N . 16648 1 952 . 1 1 82 82 GLY H H 1 8.551 0.06 . 1 . . . . 82 Gly H . 16648 1 953 . 1 1 82 82 GLY HA2 H 1 3.89 0.06 . 2 . . . . 82 Gly HA2 . 16648 1 954 . 1 1 82 82 GLY HA3 H 1 3.70 0.06 . 2 . . . . 82 Gly HA3 . 16648 1 955 . 1 1 82 82 GLY C C 13 173.372 0.6 . 1 . . . . 82 Gly C . 16648 1 956 . 1 1 82 82 GLY CA C 13 48.35 0.6 . 1 . . . . 82 Gly CA . 16648 1 957 . 1 1 82 82 GLY N N 15 113.307 0.6 . 1 . . . . 82 Gly N . 16648 1 958 . 1 1 83 83 THR H H 1 7.963 0.06 . 1 . . . . 83 Thr H . 16648 1 959 . 1 1 83 83 THR HA H 1 5.564 0.06 . 1 . . . . 83 Thr HA . 16648 1 960 . 1 1 83 83 THR HB H 1 4.028 0.06 . 1 . . . . 83 Thr HB . 16648 1 961 . 1 1 83 83 THR HG21 H 1 1.162 0.06 . 1 . . . . 83 Thr HG2 . 16648 1 962 . 1 1 83 83 THR HG22 H 1 1.162 0.06 . 1 . . . . 83 Thr HG2 . 16648 1 963 . 1 1 83 83 THR HG23 H 1 1.162 0.06 . 1 . . . . 83 Thr HG2 . 16648 1 964 . 1 1 83 83 THR CA C 13 60.303 0.6 . 1 . . . . 83 Thr CA . 16648 1 965 . 1 1 83 83 THR CB C 13 72.127 0.6 . 1 . . . . 83 Thr CB . 16648 1 966 . 1 1 83 83 THR CG2 C 13 22.276 0.6 . 1 . . . . 83 Thr CG2 . 16648 1 967 . 1 1 83 83 THR N N 15 111.624 0.6 . 1 . . . . 83 Thr N . 16648 1 968 . 1 1 84 84 LEU H H 1 8.6 0.06 . 1 . . . . 84 Leu H . 16648 1 969 . 1 1 84 84 LEU HA H 1 4.774 0.06 . 1 . . . . 84 Leu HA . 16648 1 970 . 1 1 84 84 LEU HB2 H 1 1.47 0.06 . 2 . . . . 84 Leu HB2 . 16648 1 971 . 1 1 84 84 LEU HB3 H 1 1.47 0.06 . 2 . . . . 84 Leu HB3 . 16648 1 972 . 1 1 84 84 LEU HD11 H 1 0.863 0.06 . 2 . . . . 84 Leu HD1 . 16648 1 973 . 1 1 84 84 LEU HD12 H 1 0.863 0.06 . 2 . . . . 84 Leu HD1 . 16648 1 974 . 1 1 84 84 LEU HD13 H 1 0.863 0.06 . 2 . . . . 84 Leu HD1 . 16648 1 975 . 1 1 84 84 LEU HD21 H 1 0.365 0.06 . 2 . . . . 84 Leu HD2 . 16648 1 976 . 1 1 84 84 LEU HD22 H 1 0.365 0.06 . 2 . . . . 84 Leu HD2 . 16648 1 977 . 1 1 84 84 LEU HD23 H 1 0.365 0.06 . 2 . . . . 84 Leu HD2 . 16648 1 978 . 1 1 84 84 LEU C C 13 175.300 0.6 . 1 . . . . 84 Leu C . 16648 1 979 . 1 1 84 84 LEU CA C 13 53.876 0.6 . 1 . . . . 84 Leu CA . 16648 1 980 . 1 1 84 84 LEU CB C 13 49.9 0.6 . 1 . . . . 84 Leu CB . 16648 1 981 . 1 1 84 84 LEU CD1 C 13 25.5 0.6 . 2 . . . . 84 Leu CD1 . 16648 1 982 . 1 1 84 84 LEU CD2 C 13 25.5 0.6 . 2 . . . . 84 Leu CD2 . 16648 1 983 . 1 1 84 84 LEU N N 15 118.084 0.6 . 1 . . . . 84 Leu N . 16648 1 984 . 1 1 85 85 LYS H H 1 8.893 0.06 . 1 . . . . 85 Lys H . 16648 1 985 . 1 1 85 85 LYS HA H 1 5.287 0.06 . 1 . . . . 85 Lys HA . 16648 1 986 . 1 1 85 85 LYS HB2 H 1 1.615 0.06 . 2 . . . . 85 Lys HB2 . 16648 1 987 . 1 1 85 85 LYS HB3 H 1 1.543 0.06 . 2 . . . . 85 Lys HB3 . 16648 1 988 . 1 1 85 85 LYS HD2 H 1 1.66 0.06 . 2 . . . . 85 Lys HD2 . 16648 1 989 . 1 1 85 85 LYS HD3 H 1 1.66 0.06 . 2 . . . . 85 Lys HD3 . 16648 1 990 . 1 1 85 85 LYS HG2 H 1 1.3 0.06 . 2 . . . . 85 Lys HG2 . 16648 1 991 . 1 1 85 85 LYS HG3 H 1 1.3 0.06 . 2 . . . . 85 Lys HG3 . 16648 1 992 . 1 1 85 85 LYS C C 13 174.616 0.6 . 1 . . . . 85 Lys C . 16648 1 993 . 1 1 85 85 LYS CA C 13 55.324 0.6 . 1 . . . . 85 Lys CA . 16648 1 994 . 1 1 85 85 LYS CB C 13 34.906 0.6 . 1 . . . . 85 Lys CB . 16648 1 995 . 1 1 85 85 LYS CD C 13 30.134 0.6 . 1 . . . . 85 Lys CD . 16648 1 996 . 1 1 85 85 LYS CE C 13 42.060 0.6 . 1 . . . . 85 Lys CE . 16648 1 997 . 1 1 85 85 LYS CG C 13 26.279 0.6 . 1 . . . . 85 Lys CG . 16648 1 998 . 1 1 85 85 LYS N N 15 117.951 0.6 . 1 . . . . 85 Lys N . 16648 1 999 . 1 1 86 86 LEU H H 1 9.397 0.06 . 1 . . . . 86 Leu H . 16648 1 1000 . 1 1 86 86 LEU HA H 1 4.348 0.06 . 1 . . . . 86 Leu HA . 16648 1 1001 . 1 1 86 86 LEU HB2 H 1 1.67 0.06 . 2 . . . . 86 Leu HB2 . 16648 1 1002 . 1 1 86 86 LEU HB3 H 1 1.29 0.06 . 2 . . . . 86 Leu HB3 . 16648 1 1003 . 1 1 86 86 LEU HD11 H 1 1.021 0.06 . 2 . . . . 86 Leu HD1 . 16648 1 1004 . 1 1 86 86 LEU HD12 H 1 1.021 0.06 . 2 . . . . 86 Leu HD1 . 16648 1 1005 . 1 1 86 86 LEU HD13 H 1 1.021 0.06 . 2 . . . . 86 Leu HD1 . 16648 1 1006 . 1 1 86 86 LEU HD21 H 1 1.021 0.06 . 2 . . . . 86 Leu HD2 . 16648 1 1007 . 1 1 86 86 LEU HD22 H 1 1.021 0.06 . 2 . . . . 86 Leu HD2 . 16648 1 1008 . 1 1 86 86 LEU HD23 H 1 1.021 0.06 . 2 . . . . 86 Leu HD2 . 16648 1 1009 . 1 1 86 86 LEU HG H 1 0.84 0.06 . 1 . . . . 86 Leu HG . 16648 1 1010 . 1 1 86 86 LEU C C 13 175.209 0.6 . 1 . . . . 86 Leu C . 16648 1 1011 . 1 1 86 86 LEU CA C 13 54.659 0.6 . 1 . . . . 86 Leu CA . 16648 1 1012 . 1 1 86 86 LEU CB C 13 43.640 0.6 . 1 . . . . 86 Leu CB . 16648 1 1013 . 1 1 86 86 LEU CD1 C 13 24.75 0.6 . 2 . . . . 86 Leu CD1 . 16648 1 1014 . 1 1 86 86 LEU CD2 C 13 24.75 0.6 . 2 . . . . 86 Leu CD2 . 16648 1 1015 . 1 1 86 86 LEU CG C 13 26.7 0.6 . 1 . . . . 86 Leu CG . 16648 1 1016 . 1 1 86 86 LEU N N 15 125.172 0.6 . 1 . . . . 86 Leu N . 16648 1 1017 . 1 1 87 87 SER H H 1 7.899 0.06 . 1 . . . . 87 Ser H . 16648 1 1018 . 1 1 87 87 SER HA H 1 4.795 0.06 . 1 . . . . 87 Ser HA . 16648 1 1019 . 1 1 87 87 SER HB2 H 1 3.7 0.06 . 2 . . . . 87 Ser HB2 . 16648 1 1020 . 1 1 87 87 SER HB3 H 1 3.32 0.06 . 2 . . . . 87 Ser HB3 . 16648 1 1021 . 1 1 87 87 SER C C 13 173.321 0.6 . 1 . . . . 87 Ser C . 16648 1 1022 . 1 1 87 87 SER CA C 13 56.856 0.6 . 1 . . . . 87 Ser CA . 16648 1 1023 . 1 1 87 87 SER CB C 13 62.763 0.6 . 1 . . . . 87 Ser CB . 16648 1 1024 . 1 1 87 87 SER N N 15 117.129 0.6 . 1 . . . . 87 Ser N . 16648 1 1025 . 1 1 88 88 LEU H H 1 9.163 0.06 . 1 . . . . 88 Leu H . 16648 1 1026 . 1 1 88 88 LEU HA H 1 5.102 0.06 . 1 . . . . 88 Leu HA . 16648 1 1027 . 1 1 88 88 LEU HB2 H 1 1.95 0.06 . 2 . . . . 88 Leu HB2 . 16648 1 1028 . 1 1 88 88 LEU HB3 H 1 1.062 0.06 . 2 . . . . 88 Leu HB3 . 16648 1 1029 . 1 1 88 88 LEU HD11 H 1 0.482 0.06 . 2 . . . . 88 Leu HD1 . 16648 1 1030 . 1 1 88 88 LEU HD12 H 1 0.482 0.06 . 2 . . . . 88 Leu HD1 . 16648 1 1031 . 1 1 88 88 LEU HD13 H 1 0.482 0.06 . 2 . . . . 88 Leu HD1 . 16648 1 1032 . 1 1 88 88 LEU HD21 H 1 0.482 0.06 . 2 . . . . 88 Leu HD2 . 16648 1 1033 . 1 1 88 88 LEU HD22 H 1 0.482 0.06 . 2 . . . . 88 Leu HD2 . 16648 1 1034 . 1 1 88 88 LEU HD23 H 1 0.482 0.06 . 2 . . . . 88 Leu HD2 . 16648 1 1035 . 1 1 88 88 LEU HG H 1 1.66 0.06 . 1 . . . . 88 Leu HG . 16648 1 1036 . 1 1 88 88 LEU C C 13 176.161 0.6 . 1 . . . . 88 Leu C . 16648 1 1037 . 1 1 88 88 LEU CA C 13 53.199 0.6 . 1 . . . . 88 Leu CA . 16648 1 1038 . 1 1 88 88 LEU CB C 13 44.140 0.6 . 1 . . . . 88 Leu CB . 16648 1 1039 . 1 1 88 88 LEU CD1 C 13 24.99 0.6 . 2 . . . . 88 Leu CD1 . 16648 1 1040 . 1 1 88 88 LEU CD2 C 13 24.99 0.6 . 2 . . . . 88 Leu CD2 . 16648 1 1041 . 1 1 88 88 LEU CG C 13 26.640 0.6 . 1 . . . . 88 Leu CG . 16648 1 1042 . 1 1 88 88 LEU N N 15 125.681 0.6 . 1 . . . . 88 Leu N . 16648 1 1043 . 1 1 89 89 MET H H 1 8.987 0.06 . 1 . . . . 89 Met H . 16648 1 1044 . 1 1 89 89 MET HA H 1 4.573 0.06 . 1 . . . . 89 Met HA . 16648 1 1045 . 1 1 89 89 MET HB2 H 1 1.91 0.06 . 2 . . . . 89 Met HB2 . 16648 1 1046 . 1 1 89 89 MET HB3 H 1 1.64 0.06 . 2 . . . . 89 Met HB3 . 16648 1 1047 . 1 1 89 89 MET C C 13 174.325 0.6 . 1 . . . . 89 Met C . 16648 1 1048 . 1 1 89 89 MET CA C 13 55.175 0.6 . 1 . . . . 89 Met CA . 16648 1 1049 . 1 1 89 89 MET CB C 13 35.95 0.6 . 1 . . . . 89 Met CB . 16648 1 1050 . 1 1 89 89 MET CG C 13 31.899 0.6 . 1 . . . . 89 Met CG . 16648 1 1051 . 1 1 89 89 MET N N 15 123.211 0.6 . 1 . . . . 89 Met N . 16648 1 1052 . 1 1 90 90 LEU H H 1 9.377 0.06 . 1 . . . . 90 Leu H . 16648 1 1053 . 1 1 90 90 LEU HA H 1 5.332 0.06 . 1 . . . . 90 Leu HA . 16648 1 1054 . 1 1 90 90 LEU HB2 H 1 1.92 0.06 . 2 . . . . 90 Leu HB2 . 16648 1 1055 . 1 1 90 90 LEU HB3 H 1 1.92 0.06 . 2 . . . . 90 Leu HB3 . 16648 1 1056 . 1 1 90 90 LEU HD11 H 1 0.78 0.06 . 2 . . . . 90 Leu HD1 . 16648 1 1057 . 1 1 90 90 LEU HD12 H 1 0.78 0.06 . 2 . . . . 90 Leu HD1 . 16648 1 1058 . 1 1 90 90 LEU HD13 H 1 0.78 0.06 . 2 . . . . 90 Leu HD1 . 16648 1 1059 . 1 1 90 90 LEU HD21 H 1 0.78 0.06 . 2 . . . . 90 Leu HD2 . 16648 1 1060 . 1 1 90 90 LEU HD22 H 1 0.78 0.06 . 2 . . . . 90 Leu HD2 . 16648 1 1061 . 1 1 90 90 LEU HD23 H 1 0.78 0.06 . 2 . . . . 90 Leu HD2 . 16648 1 1062 . 1 1 90 90 LEU HG H 1 0.745 0.06 . 1 . . . . 90 Leu HG . 16648 1 1063 . 1 1 90 90 LEU C C 13 175.073 0.6 . 1 . . . . 90 Leu C . 16648 1 1064 . 1 1 90 90 LEU CA C 13 52.282 0.6 . 1 . . . . 90 Leu CA . 16648 1 1065 . 1 1 90 90 LEU CB C 13 42.525 0.6 . 1 . . . . 90 Leu CB . 16648 1 1066 . 1 1 90 90 LEU CD1 C 13 26.0 0.6 . 2 . . . . 90 Leu CD1 . 16648 1 1067 . 1 1 90 90 LEU CD2 C 13 26.0 0.6 . 2 . . . . 90 Leu CD2 . 16648 1 1068 . 1 1 90 90 LEU CG C 13 27.24 0.6 . 1 . . . . 90 Leu CG . 16648 1 1069 . 1 1 90 90 LEU N N 15 129.861 0.6 . 1 . . . . 90 Leu N . 16648 1 1070 . 1 1 91 91 THR H H 1 8.862 0.06 . 1 . . . . 91 Thr H . 16648 1 1071 . 1 1 91 91 THR HA H 1 4.902 0.06 . 1 . . . . 91 Thr HA . 16648 1 1072 . 1 1 91 91 THR HB H 1 3.884 0.06 . 1 . . . . 91 Thr HB . 16648 1 1073 . 1 1 91 91 THR HG21 H 1 0.864 0.06 . 1 . . . . 91 Thr HG2 . 16648 1 1074 . 1 1 91 91 THR HG22 H 1 0.864 0.06 . 1 . . . . 91 Thr HG2 . 16648 1 1075 . 1 1 91 91 THR HG23 H 1 0.864 0.06 . 1 . . . . 91 Thr HG2 . 16648 1 1076 . 1 1 91 91 THR C C 13 173.788 0.6 . 1 . . . . 91 Thr C . 16648 1 1077 . 1 1 91 91 THR CA C 13 62.358 0.6 . 1 . . . . 91 Thr CA . 16648 1 1078 . 1 1 91 91 THR CB C 13 70.071 0.6 . 1 . . . . 91 Thr CB . 16648 1 1079 . 1 1 91 91 THR CG2 C 13 20.401 0.6 . 1 . . . . 91 Thr CG2 . 16648 1 1080 . 1 1 91 91 THR N N 15 119.062 0.6 . 1 . . . . 91 Thr N . 16648 1 1081 . 1 1 92 92 ASP H H 1 8.762 0.06 . 1 . . . . 92 Asp H . 16648 1 1082 . 1 1 92 92 ASP HA H 1 4.380 0.06 . 1 . . . . 92 Asp HA . 16648 1 1083 . 1 1 92 92 ASP HB2 H 1 2.774 0.06 . 2 . . . . 92 Asp HB2 . 16648 1 1084 . 1 1 92 92 ASP HB3 H 1 1.025 0.06 . 2 . . . . 92 Asp HB3 . 16648 1 1085 . 1 1 92 92 ASP C C 13 176.864 0.6 . 1 . . . . 92 Asp C . 16648 1 1086 . 1 1 92 92 ASP CA C 13 53.264 0.6 . 1 . . . . 92 Asp CA . 16648 1 1087 . 1 1 92 92 ASP CB C 13 40.00 0.6 . 1 . . . . 92 Asp CB . 16648 1 1088 . 1 1 92 92 ASP N N 15 126.719 0.6 . 1 . . . . 92 Asp N . 16648 1 1089 . 1 1 93 93 LYS H H 1 7.785 0.06 . 1 . . . . 93 Lys H . 16648 1 1090 . 1 1 93 93 LYS HA H 1 3.942 0.06 . 1 . . . . 93 Lys HA . 16648 1 1091 . 1 1 93 93 LYS HB2 H 1 1.920 0.06 . 2 . . . . 93 Lys HB2 . 16648 1 1092 . 1 1 93 93 LYS HB3 H 1 1.439 0.06 . 2 . . . . 93 Lys HB3 . 16648 1 1093 . 1 1 93 93 LYS HD2 H 1 1.56 0.06 . 2 . . . . 93 Lys HD2 . 16648 1 1094 . 1 1 93 93 LYS HD3 H 1 1.56 0.06 . 2 . . . . 93 Lys HD3 . 16648 1 1095 . 1 1 93 93 LYS HG2 H 1 1.31 0.06 . 2 . . . . 93 Lys HG2 . 16648 1 1096 . 1 1 93 93 LYS HG3 H 1 1.31 0.06 . 2 . . . . 93 Lys HG3 . 16648 1 1097 . 1 1 93 93 LYS C C 13 177.77 0.6 . 1 . . . . 93 Lys C . 16648 1 1098 . 1 1 93 93 LYS CA C 13 58.889 0.6 . 1 . . . . 93 Lys CA . 16648 1 1099 . 1 1 93 93 LYS CB C 13 32.179 0.6 . 1 . . . . 93 Lys CB . 16648 1 1100 . 1 1 93 93 LYS CD C 13 29.300 0.6 . 1 . . . . 93 Lys CD . 16648 1 1101 . 1 1 93 93 LYS CE C 13 41.879 0.6 . 1 . . . . 93 Lys CE . 16648 1 1102 . 1 1 93 93 LYS CG C 13 25.99 0.6 . 1 . . . . 93 Lys CG . 16648 1 1103 . 1 1 93 93 LYS N N 15 125.071 0.6 . 1 . . . . 93 Lys N . 16648 1 1104 . 1 1 94 94 LYS H H 1 8.571 0.06 . 1 . . . . 94 Lys H . 16648 1 1105 . 1 1 94 94 LYS HA H 1 4.190 0.06 . 1 . . . . 94 Lys HA . 16648 1 1106 . 1 1 94 94 LYS HB2 H 1 1.948 0.06 . 2 . . . . 94 Lys HB2 . 16648 1 1107 . 1 1 94 94 LYS HB3 H 1 1.805 0.06 . 2 . . . . 94 Lys HB3 . 16648 1 1108 . 1 1 94 94 LYS HD2 H 1 1.724 0.06 . 2 . . . . 94 Lys HD2 . 16648 1 1109 . 1 1 94 94 LYS HD3 H 1 1.724 0.06 . 2 . . . . 94 Lys HD3 . 16648 1 1110 . 1 1 94 94 LYS HG2 H 1 1.549 0.06 . 2 . . . . 94 Lys HG2 . 16648 1 1111 . 1 1 94 94 LYS HG3 H 1 1.428 0.06 . 2 . . . . 94 Lys HG3 . 16648 1 1112 . 1 1 94 94 LYS C C 13 177.809 0.6 . 1 . . . . 94 Lys C . 16648 1 1113 . 1 1 94 94 LYS CA C 13 58.452 0.6 . 1 . . . . 94 Lys CA . 16648 1 1114 . 1 1 94 94 LYS CB C 13 32.2 0.6 . 1 . . . . 94 Lys CB . 16648 1 1115 . 1 1 94 94 LYS CD C 13 28.914 0.6 . 1 . . . . 94 Lys CD . 16648 1 1116 . 1 1 94 94 LYS CE C 13 42.142 0.6 . 1 . . . . 94 Lys CE . 16648 1 1117 . 1 1 94 94 LYS CG C 13 25.386 0.6 . 1 . . . . 94 Lys CG . 16648 1 1118 . 1 1 94 94 LYS N N 15 118.112 0.6 . 1 . . . . 94 Lys N . 16648 1 1119 . 1 1 95 95 ASN H H 1 7.18 0.06 . 1 . . . . 95 Asn H . 16648 1 1120 . 1 1 95 95 ASN HA H 1 4.774 0.06 . 1 . . . . 95 Asn HA . 16648 1 1121 . 1 1 95 95 ASN HB2 H 1 2.655 0.06 . 2 . . . . 95 Asn HB2 . 16648 1 1122 . 1 1 95 95 ASN HB3 H 1 2.655 0.06 . 2 . . . . 95 Asn HB3 . 16648 1 1123 . 1 1 95 95 ASN HD21 H 1 8.08 0.06 . 2 . . . . 95 Asn HD21 . 16648 1 1124 . 1 1 95 95 ASN HD22 H 1 6.76 0.06 . 2 . . . . 95 Asn HD22 . 16648 1 1125 . 1 1 95 95 ASN C C 13 174.838 0.6 . 1 . . . . 95 Asn C . 16648 1 1126 . 1 1 95 95 ASN CA C 13 52.545 0.6 . 1 . . . . 95 Asn CA . 16648 1 1127 . 1 1 95 95 ASN CB C 13 39.515 0.6 . 1 . . . . 95 Asn CB . 16648 1 1128 . 1 1 95 95 ASN N N 15 113.292 0.6 . 1 . . . . 95 Asn N . 16648 1 1129 . 1 1 95 95 ASN ND2 N 15 114.5 0.6 . 1 . . . . 95 Asn ND2 . 16648 1 1130 . 1 1 96 96 ASN H H 1 8.297 0.06 . 1 . . . . 96 Asn H . 16648 1 1131 . 1 1 96 96 ASN HA H 1 4.15 0.06 . 1 . . . . 96 Asn HA . 16648 1 1132 . 1 1 96 96 ASN HB2 H 1 3.0 0.06 . 2 . . . . 96 Asn HB2 . 16648 1 1133 . 1 1 96 96 ASN HB3 H 1 2.711 0.06 . 2 . . . . 96 Asn HB3 . 16648 1 1134 . 1 1 96 96 ASN HD21 H 1 7.48 0.06 . 2 . . . . 96 Asn HD21 . 16648 1 1135 . 1 1 96 96 ASN HD22 H 1 6.72 0.06 . 2 . . . . 96 Asn HD22 . 16648 1 1136 . 1 1 96 96 ASN C C 13 173.719 0.6 . 1 . . . . 96 Asn C . 16648 1 1137 . 1 1 96 96 ASN CA C 13 54.560 0.6 . 1 . . . . 96 Asn CA . 16648 1 1138 . 1 1 96 96 ASN CB C 13 37.273 0.6 . 1 . . . . 96 Asn CB . 16648 1 1139 . 1 1 96 96 ASN N N 15 117.305 0.6 . 1 . . . . 96 Asn N . 16648 1 1140 . 1 1 96 96 ASN ND2 N 15 112.4 0.6 . 1 . . . . 96 Asn ND2 . 16648 1 1141 . 1 1 97 97 GLN H H 1 7.514 0.06 . 1 . . . . 97 Gln H . 16648 1 1142 . 1 1 97 97 GLN HA H 1 4.353 0.06 . 1 . . . . 97 Gln HA . 16648 1 1143 . 1 1 97 97 GLN HB2 H 1 1.787 0.06 . 2 . . . . 97 Gln HB2 . 16648 1 1144 . 1 1 97 97 GLN HB3 H 1 1.787 0.06 . 2 . . . . 97 Gln HB3 . 16648 1 1145 . 1 1 97 97 GLN HE21 H 1 7.29 0.06 . 2 . . . . 97 Gln HE21 . 16648 1 1146 . 1 1 97 97 GLN HE22 H 1 6.81 0.06 . 2 . . . . 97 Gln HE22 . 16648 1 1147 . 1 1 97 97 GLN HG2 H 1 2.114 0.06 . 2 . . . . 97 Gln HG2 . 16648 1 1148 . 1 1 97 97 GLN HG3 H 1 2.114 0.06 . 2 . . . . 97 Gln HG3 . 16648 1 1149 . 1 1 97 97 GLN C C 13 173.811 0.6 . 1 . . . . 97 Gln C . 16648 1 1150 . 1 1 97 97 GLN CA C 13 55.249 0.6 . 1 . . . . 97 Gln CA . 16648 1 1151 . 1 1 97 97 GLN CB C 13 31.069 0.6 . 1 . . . . 97 Gln CB . 16648 1 1152 . 1 1 97 97 GLN CG C 13 33.750 0.6 . 1 . . . . 97 Gln CG . 16648 1 1153 . 1 1 97 97 GLN N N 15 117.381 0.6 . 1 . . . . 97 Gln N . 16648 1 1154 . 1 1 97 97 GLN NE2 N 15 112.5 0.6 . 1 . . . . 97 Gln NE2 . 16648 1 1155 . 1 1 98 98 VAL H H 1 8.001 0.06 . 1 . . . . 98 Val H . 16648 1 1156 . 1 1 98 98 VAL HA H 1 4.66 0.06 . 1 . . . . 98 Val HA . 16648 1 1157 . 1 1 98 98 VAL HB H 1 1.606 0.06 . 1 . . . . 98 Val HB . 16648 1 1158 . 1 1 98 98 VAL HG11 H 1 0.783 0.06 . 2 . . . . 98 Val HG1 . 16648 1 1159 . 1 1 98 98 VAL HG12 H 1 0.783 0.06 . 2 . . . . 98 Val HG1 . 16648 1 1160 . 1 1 98 98 VAL HG13 H 1 0.783 0.06 . 2 . . . . 98 Val HG1 . 16648 1 1161 . 1 1 98 98 VAL HG21 H 1 0.522 0.06 . 2 . . . . 98 Val HG2 . 16648 1 1162 . 1 1 98 98 VAL HG22 H 1 0.522 0.06 . 2 . . . . 98 Val HG2 . 16648 1 1163 . 1 1 98 98 VAL HG23 H 1 0.522 0.06 . 2 . . . . 98 Val HG2 . 16648 1 1164 . 1 1 98 98 VAL C C 13 174.717 0.6 . 1 . . . . 98 Val C . 16648 1 1165 . 1 1 98 98 VAL CA C 13 61.473 0.6 . 1 . . . . 98 Val CA . 16648 1 1166 . 1 1 98 98 VAL CB C 13 33.921 0.6 . 1 . . . . 98 Val CB . 16648 1 1167 . 1 1 98 98 VAL CG1 C 13 21.387 0.6 . 2 . . . . 98 Val CG1 . 16648 1 1168 . 1 1 98 98 VAL CG2 C 13 21.387 0.6 . 2 . . . . 98 Val CG2 . 16648 1 1169 . 1 1 98 98 VAL N N 15 122.101 0.6 . 1 . . . . 98 Val N . 16648 1 1170 . 1 1 99 99 TYR H H 1 9.187 0.06 . 1 . . . . 99 Tyr H . 16648 1 1171 . 1 1 99 99 TYR HA H 1 4.659 0.06 . 1 . . . . 99 Tyr HA . 16648 1 1172 . 1 1 99 99 TYR HB2 H 1 3.083 0.06 . 2 . . . . 99 Tyr HB2 . 16648 1 1173 . 1 1 99 99 TYR HB3 H 1 2.65 0.06 . 2 . . . . 99 Tyr HB3 . 16648 1 1174 . 1 1 99 99 TYR HD1 H 1 7.099 0.06 . 3 . . . . 99 Tyr HD1 . 16648 1 1175 . 1 1 99 99 TYR HD2 H 1 7.099 0.06 . 3 . . . . 99 Tyr HD2 . 16648 1 1176 . 1 1 99 99 TYR C C 13 173.193 0.6 . 1 . . . . 99 Tyr C . 16648 1 1177 . 1 1 99 99 TYR CA C 13 56.279 0.6 . 1 . . . . 99 Tyr CA . 16648 1 1178 . 1 1 99 99 TYR CB C 13 42.427 0.6 . 1 . . . . 99 Tyr CB . 16648 1 1179 . 1 1 99 99 TYR CD1 C 13 133.64 0.6 . 3 . . . . 99 Tyr CD1 . 16648 1 1180 . 1 1 99 99 TYR CD2 C 13 133.64 0.6 . 3 . . . . 99 Tyr CD2 . 16648 1 1181 . 1 1 99 99 TYR N N 15 125.768 0.6 . 1 . . . . 99 Tyr N . 16648 1 1182 . 1 1 100 100 TYR H H 1 8.741 0.06 . 1 . . . . 100 Tyr H . 16648 1 1183 . 1 1 100 100 TYR HA H 1 5.384 0.06 . 1 . . . . 100 Tyr HA . 16648 1 1184 . 1 1 100 100 TYR HB2 H 1 3.089 0.06 . 2 . . . . 100 Tyr HB2 . 16648 1 1185 . 1 1 100 100 TYR HB3 H 1 2.659 0.06 . 2 . . . . 100 Tyr HB3 . 16648 1 1186 . 1 1 100 100 TYR HD1 H 1 7.09 0.06 . 3 . . . . 100 Tyr HD1 . 16648 1 1187 . 1 1 100 100 TYR HD2 H 1 7.09 0.06 . 3 . . . . 100 Tyr HD2 . 16648 1 1188 . 1 1 100 100 TYR HE1 H 1 6.61 0.06 . 3 . . . . 100 Tyr HE1 . 16648 1 1189 . 1 1 100 100 TYR HE2 H 1 6.61 0.06 . 3 . . . . 100 Tyr HE2 . 16648 1 1190 . 1 1 100 100 TYR CA C 13 57.331 0.6 . 1 . . . . 100 Tyr CA . 16648 1 1191 . 1 1 100 100 TYR CB C 13 40.810 0.6 . 1 . . . . 100 Tyr CB . 16648 1 1192 . 1 1 100 100 TYR CD1 C 13 133.43 0.6 . 3 . . . . 100 Tyr CD1 . 16648 1 1193 . 1 1 100 100 TYR CD2 C 13 133.43 0.6 . 3 . . . . 100 Tyr CD2 . 16648 1 1194 . 1 1 100 100 TYR CE1 C 13 117.6 0.6 . 3 . . . . 100 Tyr CE1 . 16648 1 1195 . 1 1 100 100 TYR CE2 C 13 117.6 0.6 . 3 . . . . 100 Tyr CE2 . 16648 1 1196 . 1 1 100 100 TYR N N 15 119.952 0.6 . 1 . . . . 100 Tyr N . 16648 1 1197 . 1 1 101 101 LYS H H 1 8.284 0.06 . 1 . . . . 101 Lys H . 16648 1 1198 . 1 1 101 101 LYS HA H 1 4.629 0.06 . 1 . . . . 101 Lys HA . 16648 1 1199 . 1 1 101 101 LYS HB2 H 1 1.645 0.06 . 2 . . . . 101 Lys HB2 . 16648 1 1200 . 1 1 101 101 LYS HB3 H 1 1.527 0.06 . 2 . . . . 101 Lys HB3 . 16648 1 1201 . 1 1 101 101 LYS HD2 H 1 1.48 0.06 . 2 . . . . 101 Lys HD2 . 16648 1 1202 . 1 1 101 101 LYS HD3 H 1 1.48 0.06 . 2 . . . . 101 Lys HD3 . 16648 1 1203 . 1 1 101 101 LYS HG2 H 1 1.403 0.06 . 2 . . . . 101 Lys HG2 . 16648 1 1204 . 1 1 101 101 LYS HG3 H 1 1.213 0.06 . 2 . . . . 101 Lys HG3 . 16648 1 1205 . 1 1 101 101 LYS C C 13 172.991 0.6 . 1 . . . . 101 Lys C . 16648 1 1206 . 1 1 101 101 LYS CA C 13 55.252 0.6 . 1 . . . . 101 Lys CA . 16648 1 1207 . 1 1 101 101 LYS CB C 13 38.041 0.6 . 1 . . . . 101 Lys CB . 16648 1 1208 . 1 1 101 101 LYS CD C 13 29.6 0.6 . 1 . . . . 101 Lys CD . 16648 1 1209 . 1 1 101 101 LYS CE C 13 42.447 0.6 . 1 . . . . 101 Lys CE . 16648 1 1210 . 1 1 101 101 LYS CG C 13 25.210 0.6 . 1 . . . . 101 Lys CG . 16648 1 1211 . 1 1 101 101 LYS N N 15 122.148 0.6 . 1 . . . . 101 Lys N . 16648 1 1212 . 1 1 102 102 LEU H H 1 8.698 0.06 . 1 . . . . 102 Leu H . 16648 1 1213 . 1 1 102 102 LEU HA H 1 5.282 0.06 . 1 . . . . 102 Leu HA . 16648 1 1214 . 1 1 102 102 LEU HB2 H 1 1.724 0.06 . 2 . . . . 102 Leu HB2 . 16648 1 1215 . 1 1 102 102 LEU HB3 H 1 1.393 0.06 . 2 . . . . 102 Leu HB3 . 16648 1 1216 . 1 1 102 102 LEU HD11 H 1 0.848 0.06 . 2 . . . . 102 Leu HD1 . 16648 1 1217 . 1 1 102 102 LEU HD12 H 1 0.848 0.06 . 2 . . . . 102 Leu HD1 . 16648 1 1218 . 1 1 102 102 LEU HD13 H 1 0.848 0.06 . 2 . . . . 102 Leu HD1 . 16648 1 1219 . 1 1 102 102 LEU HD21 H 1 0.848 0.06 . 2 . . . . 102 Leu HD2 . 16648 1 1220 . 1 1 102 102 LEU HD22 H 1 0.848 0.06 . 2 . . . . 102 Leu HD2 . 16648 1 1221 . 1 1 102 102 LEU HD23 H 1 0.848 0.06 . 2 . . . . 102 Leu HD2 . 16648 1 1222 . 1 1 102 102 LEU HG H 1 1.667 0.06 . 1 . . . . 102 Leu HG . 16648 1 1223 . 1 1 102 102 LEU C C 13 176.024 0.6 . 1 . . . . 102 Leu C . 16648 1 1224 . 1 1 102 102 LEU CA C 13 54.025 0.6 . 1 . . . . 102 Leu CA . 16648 1 1225 . 1 1 102 102 LEU CB C 13 43.601 0.6 . 1 . . . . 102 Leu CB . 16648 1 1226 . 1 1 102 102 LEU CD1 C 13 24.98 0.6 . 2 . . . . 102 Leu CD1 . 16648 1 1227 . 1 1 102 102 LEU CD2 C 13 24.98 0.6 . 2 . . . . 102 Leu CD2 . 16648 1 1228 . 1 1 102 102 LEU CG C 13 27.287 0.6 . 1 . . . . 102 Leu CG . 16648 1 1229 . 1 1 102 102 LEU N N 15 127.349 0.6 . 1 . . . . 102 Leu N . 16648 1 1230 . 1 1 103 103 LEU H H 1 9.120 0.06 . 1 . . . . 103 Leu H . 16648 1 1231 . 1 1 103 103 LEU HA H 1 4.831 0.06 . 1 . . . . 103 Leu HA . 16648 1 1232 . 1 1 103 103 LEU HB2 H 1 1.923 0.06 . 2 . . . . 103 Leu HB2 . 16648 1 1233 . 1 1 103 103 LEU HB3 H 1 1.258 0.06 . 2 . . . . 103 Leu HB3 . 16648 1 1234 . 1 1 103 103 LEU HD21 H 1 1.092 0.06 . 2 . . . . 103 Leu HD2 . 16648 1 1235 . 1 1 103 103 LEU HD22 H 1 1.092 0.06 . 2 . . . . 103 Leu HD2 . 16648 1 1236 . 1 1 103 103 LEU HD23 H 1 1.092 0.06 . 2 . . . . 103 Leu HD2 . 16648 1 1237 . 1 1 103 103 LEU HG H 1 1.65 0.06 . 1 . . . . 103 Leu HG . 16648 1 1238 . 1 1 103 103 LEU C C 13 175.163 0.6 . 1 . . . . 103 Leu C . 16648 1 1239 . 1 1 103 103 LEU CA C 13 53.664 0.6 . 1 . . . . 103 Leu CA . 16648 1 1240 . 1 1 103 103 LEU CB C 13 46.915 0.6 . 1 . . . . 103 Leu CB . 16648 1 1241 . 1 1 103 103 LEU CD1 C 13 25.802 0.6 . 2 . . . . 103 Leu CD1 . 16648 1 1242 . 1 1 103 103 LEU CD2 C 13 24.38 0.6 . 2 . . . . 103 Leu CD2 . 16648 1 1243 . 1 1 103 103 LEU CG C 13 27.189 0.6 . 1 . . . . 103 Leu CG . 16648 1 1244 . 1 1 103 103 LEU N N 15 126.377 0.6 . 1 . . . . 103 Leu N . 16648 1 1245 . 1 1 104 104 GLU H H 1 9.190 0.06 . 1 . . . . 104 Glu H . 16648 1 1246 . 1 1 104 104 GLU HA H 1 4.818 0.06 . 1 . . . . 104 Glu HA . 16648 1 1247 . 1 1 104 104 GLU HB2 H 1 2.154 0.06 . 2 . . . . 104 Glu HB2 . 16648 1 1248 . 1 1 104 104 GLU HB3 H 1 1.934 0.06 . 2 . . . . 104 Glu HB3 . 16648 1 1249 . 1 1 104 104 GLU HG2 H 1 2.198 0.06 . 2 . . . . 104 Glu HG2 . 16648 1 1250 . 1 1 104 104 GLU HG3 H 1 2.144 0.06 . 2 . . . . 104 Glu HG3 . 16648 1 1251 . 1 1 104 104 GLU C C 13 175.348 0.6 . 1 . . . . 104 Glu C . 16648 1 1252 . 1 1 104 104 GLU CA C 13 56.889 0.6 . 1 . . . . 104 Glu CA . 16648 1 1253 . 1 1 104 104 GLU CB C 13 30.830 0.6 . 1 . . . . 104 Glu CB . 16648 1 1254 . 1 1 104 104 GLU CG C 13 36.1 0.6 . 1 . . . . 104 Glu CG . 16648 1 1255 . 1 1 104 104 GLU N N 15 129.120 0.6 . 1 . . . . 104 Glu N . 16648 1 1256 . 1 1 105 105 VAL H H 1 9.155 0.06 . 1 . . . . 105 Val H . 16648 1 1257 . 1 1 105 105 VAL HA H 1 4.661 0.06 . 1 . . . . 105 Val HA . 16648 1 1258 . 1 1 105 105 VAL HB H 1 2.270 0.06 . 1 . . . . 105 Val HB . 16648 1 1259 . 1 1 105 105 VAL HG11 H 1 1.040 0.06 . 2 . . . . 105 Val HG1 . 16648 1 1260 . 1 1 105 105 VAL HG12 H 1 1.040 0.06 . 2 . . . . 105 Val HG1 . 16648 1 1261 . 1 1 105 105 VAL HG13 H 1 1.040 0.06 . 2 . . . . 105 Val HG1 . 16648 1 1262 . 1 1 105 105 VAL HG21 H 1 1.098 0.06 . 2 . . . . 105 Val HG2 . 16648 1 1263 . 1 1 105 105 VAL HG22 H 1 1.098 0.06 . 2 . . . . 105 Val HG2 . 16648 1 1264 . 1 1 105 105 VAL HG23 H 1 1.098 0.06 . 2 . . . . 105 Val HG2 . 16648 1 1265 . 1 1 105 105 VAL C C 13 173.666 0.6 . 1 . . . . 105 Val C . 16648 1 1266 . 1 1 105 105 VAL CA C 13 61.2 0.6 . 1 . . . . 105 Val CA . 16648 1 1267 . 1 1 105 105 VAL CB C 13 35.188 0.6 . 1 . . . . 105 Val CB . 16648 1 1268 . 1 1 105 105 VAL CG1 C 13 23.089 0.6 . 2 . . . . 105 Val CG1 . 16648 1 1269 . 1 1 105 105 VAL CG2 C 13 22.024 0.6 . 2 . . . . 105 Val CG2 . 16648 1 1270 . 1 1 105 105 VAL N N 15 125.360 0.6 . 1 . . . . 105 Val N . 16648 1 1271 . 1 1 106 106 SER H H 1 8.329 0.06 . 1 . . . . 106 Ser H . 16648 1 1272 . 1 1 106 106 SER HA H 1 5.485 0.06 . 1 . . . . 106 Ser HA . 16648 1 1273 . 1 1 106 106 SER HB2 H 1 4.024 0.06 . 2 . . . . 106 Ser HB2 . 16648 1 1274 . 1 1 106 106 SER HB3 H 1 3.921 0.06 . 2 . . . . 106 Ser HB3 . 16648 1 1275 . 1 1 106 106 SER C C 13 173.761 0.6 . 1 . . . . 106 Ser C . 16648 1 1276 . 1 1 106 106 SER CA C 13 56.202 0.6 . 1 . . . . 106 Ser CA . 16648 1 1277 . 1 1 106 106 SER CB C 13 65.074 0.6 . 1 . . . . 106 Ser CB . 16648 1 1278 . 1 1 106 106 SER N N 15 119.446 0.6 . 1 . . . . 106 Ser N . 16648 1 1279 . 1 1 107 107 GLY H H 1 8.570 0.06 . 1 . . . . 107 Gly H . 16648 1 1280 . 1 1 107 107 GLY HA2 H 1 4.074 0.06 . 2 . . . . 107 Gly HA2 . 16648 1 1281 . 1 1 107 107 GLY HA3 H 1 3.661 0.06 . 2 . . . . 107 Gly HA3 . 16648 1 1282 . 1 1 107 107 GLY C C 13 175.736 0.6 . 1 . . . . 107 Gly C . 16648 1 1283 . 1 1 107 107 GLY CA C 13 45.048 0.6 . 1 . . . . 107 Gly CA . 16648 1 1284 . 1 1 107 107 GLY N N 15 106.829 0.6 . 1 . . . . 107 Gly N . 16648 1 1285 . 1 1 108 108 PHE H H 1 7.936 0.06 . 1 . . . . 108 Phe H . 16648 1 1286 . 1 1 108 108 PHE HA H 1 4.735 0.06 . 1 . . . . 108 Phe HA . 16648 1 1287 . 1 1 108 108 PHE HB2 H 1 2.33 0.06 . 2 . . . . 108 Phe HB2 . 16648 1 1288 . 1 1 108 108 PHE HB3 H 1 2.33 0.06 . 2 . . . . 108 Phe HB3 . 16648 1 1289 . 1 1 108 108 PHE HD1 H 1 7.52 0.06 . 3 . . . . 108 Phe HD1 . 16648 1 1290 . 1 1 108 108 PHE HD2 H 1 7.52 0.06 . 3 . . . . 108 Phe HD2 . 16648 1 1291 . 1 1 108 108 PHE HE1 H 1 7.20 0.06 . 3 . . . . 108 Phe HE1 . 16648 1 1292 . 1 1 108 108 PHE HE2 H 1 7.20 0.06 . 3 . . . . 108 Phe HE2 . 16648 1 1293 . 1 1 108 108 PHE C C 13 174.304 0.6 . 1 . . . . 108 Phe C . 16648 1 1294 . 1 1 108 108 PHE CA C 13 57.93 0.6 . 1 . . . . 108 Phe CA . 16648 1 1295 . 1 1 108 108 PHE CB C 13 38.1 0.6 . 1 . . . . 108 Phe CB . 16648 1 1296 . 1 1 108 108 PHE CD1 C 13 132.5 0.6 . 3 . . . . 108 Phe CD1 . 16648 1 1297 . 1 1 108 108 PHE CD2 C 13 132.5 0.6 . 3 . . . . 108 Phe CD2 . 16648 1 1298 . 1 1 108 108 PHE CE1 C 13 131 0.6 . 3 . . . . 108 Phe CE1 . 16648 1 1299 . 1 1 108 108 PHE CE2 C 13 131 0.6 . 3 . . . . 108 Phe CE2 . 16648 1 1300 . 1 1 108 108 PHE N N 15 119.405 0.6 . 1 . . . . 108 Phe N . 16648 1 1301 . 1 1 109 109 LYS H H 1 8.085 0.06 . 1 . . . . 109 Lys H . 16648 1 1302 . 1 1 109 109 LYS HA H 1 3.942 0.06 . 1 . . . . 109 Lys HA . 16648 1 1303 . 1 1 109 109 LYS HB2 H 1 1.378 0.06 . 2 . . . . 109 Lys HB2 . 16648 1 1304 . 1 1 109 109 LYS HB3 H 1 1.227 0.06 . 2 . . . . 109 Lys HB3 . 16648 1 1305 . 1 1 109 109 LYS HD2 H 1 1.58 0.06 . 2 . . . . 109 Lys HD2 . 16648 1 1306 . 1 1 109 109 LYS HD3 H 1 1.495 0.06 . 2 . . . . 109 Lys HD3 . 16648 1 1307 . 1 1 109 109 LYS HG2 H 1 1.54 0.06 . 2 . . . . 109 Lys HG2 . 16648 1 1308 . 1 1 109 109 LYS HG3 H 1 1.35 0.06 . 2 . . . . 109 Lys HG3 . 16648 1 1309 . 1 1 109 109 LYS C C 13 173.732 0.6 . 1 . . . . 109 Lys C . 16648 1 1310 . 1 1 109 109 LYS CA C 13 58.476 0.6 . 1 . . . . 109 Lys CA . 16648 1 1311 . 1 1 109 109 LYS CB C 13 32.82 0.6 . 1 . . . . 109 Lys CB . 16648 1 1312 . 1 1 109 109 LYS CD C 13 30.107 0.6 . 1 . . . . 109 Lys CD . 16648 1 1313 . 1 1 109 109 LYS CE C 13 42.466 0.6 . 1 . . . . 109 Lys CE . 16648 1 1314 . 1 1 109 109 LYS CG C 13 25.5 0.6 . 1 . . . . 109 Lys CG . 16648 1 1315 . 1 1 109 109 LYS N N 15 123.188 0.6 . 1 . . . . 109 Lys N . 16648 1 1316 . 1 1 110 110 SER H H 1 7.785 0.06 . 1 . . . . 110 Ser H . 16648 1 1317 . 1 1 110 110 SER HA H 1 5.328 0.06 . 1 . . . . 110 Ser HA . 16648 1 1318 . 1 1 110 110 SER HB2 H 1 3.825 0.06 . 2 . . . . 110 Ser HB2 . 16648 1 1319 . 1 1 110 110 SER HB3 H 1 3.414 0.06 . 2 . . . . 110 Ser HB3 . 16648 1 1320 . 1 1 110 110 SER C C 13 174.890 0.6 . 1 . . . . 110 Ser C . 16648 1 1321 . 1 1 110 110 SER CA C 13 55.63 0.6 . 1 . . . . 110 Ser CA . 16648 1 1322 . 1 1 110 110 SER CB C 13 66.584 0.6 . 1 . . . . 110 Ser CB . 16648 1 1323 . 1 1 110 110 SER N N 15 114.467 0.6 . 1 . . . . 110 Ser N . 16648 1 1324 . 1 1 111 111 ASN H H 1 8.217 0.06 . 1 . . . . 111 Asn H . 16648 1 1325 . 1 1 111 111 ASN HA H 1 5.102 0.06 . 1 . . . . 111 Asn HA . 16648 1 1326 . 1 1 111 111 ASN HB2 H 1 2.763 0.06 . 2 . . . . 111 Asn HB2 . 16648 1 1327 . 1 1 111 111 ASN HB3 H 1 2.572 0.06 . 2 . . . . 111 Asn HB3 . 16648 1 1328 . 1 1 111 111 ASN HD21 H 1 7.66 0.06 . 2 . . . . 111 Asn HD21 . 16648 1 1329 . 1 1 111 111 ASN HD22 H 1 7.006 0.06 . 2 . . . . 111 Asn HD22 . 16648 1 1330 . 1 1 111 111 ASN CA C 13 50.26 0.6 . 1 . . . . 111 Asn CA . 16648 1 1331 . 1 1 111 111 ASN CB C 13 39.6 0.6 . 1 . . . . 111 Asn CB . 16648 1 1332 . 1 1 111 111 ASN N N 15 118.303 0.6 . 1 . . . . 111 Asn N . 16648 1 1333 . 1 1 111 111 ASN ND2 N 15 111.7 0.6 . 1 . . . . 111 Asn ND2 . 16648 1 1334 . 1 1 112 112 PRO HA H 1 4.416 0.06 . 1 . . . . 112 Pro HA . 16648 1 1335 . 1 1 112 112 PRO HB2 H 1 2.197 0.06 . 2 . . . . 112 Pro HB2 . 16648 1 1336 . 1 1 112 112 PRO HB3 H 1 1.688 0.06 . 2 . . . . 112 Pro HB3 . 16648 1 1337 . 1 1 112 112 PRO HD2 H 1 3.7 0.06 . 2 . . . . 112 Pro HD2 . 16648 1 1338 . 1 1 112 112 PRO HD3 H 1 3.7 0.06 . 2 . . . . 112 Pro HD3 . 16648 1 1339 . 1 1 112 112 PRO HG2 H 1 1.938 0.06 . 2 . . . . 112 Pro HG2 . 16648 1 1340 . 1 1 112 112 PRO HG3 H 1 1.639 0.06 . 2 . . . . 112 Pro HG3 . 16648 1 1341 . 1 1 112 112 PRO C C 13 176.425 0.6 . 1 . . . . 112 Pro C . 16648 1 1342 . 1 1 112 112 PRO CA C 13 63.49 0.6 . 1 . . . . 112 Pro CA . 16648 1 1343 . 1 1 112 112 PRO CB C 13 32.042 0.6 . 1 . . . . 112 Pro CB . 16648 1 1344 . 1 1 112 112 PRO CD C 13 50.7 0.6 . 1 . . . . 112 Pro CD . 16648 1 1345 . 1 1 112 112 PRO CG C 13 26.7 0.6 . 1 . . . . 112 Pro CG . 16648 1 1346 . 1 1 113 113 TYR H H 1 7.92 0.06 . 1 . . . . 113 Tyr H . 16648 1 1347 . 1 1 113 113 TYR HA H 1 4.57 0.06 . 1 . . . . 113 Tyr HA . 16648 1 1348 . 1 1 113 113 TYR HB2 H 1 3.098 0.06 . 2 . . . . 113 Tyr HB2 . 16648 1 1349 . 1 1 113 113 TYR HB3 H 1 2.912 0.06 . 2 . . . . 113 Tyr HB3 . 16648 1 1350 . 1 1 113 113 TYR HD1 H 1 7.104 0.06 . 3 . . . . 113 Tyr HD1 . 16648 1 1351 . 1 1 113 113 TYR HD2 H 1 7.104 0.06 . 3 . . . . 113 Tyr HD2 . 16648 1 1352 . 1 1 113 113 TYR HE1 H 1 6.81 0.06 . 3 . . . . 113 Tyr HE1 . 16648 1 1353 . 1 1 113 113 TYR HE2 H 1 6.81 0.06 . 3 . . . . 113 Tyr HE2 . 16648 1 1354 . 1 1 113 113 TYR C C 13 175.468 0.6 . 1 . . . . 113 Tyr C . 16648 1 1355 . 1 1 113 113 TYR CA C 13 57.56 0.6 . 1 . . . . 113 Tyr CA . 16648 1 1356 . 1 1 113 113 TYR CB C 13 38.416 0.6 . 1 . . . . 113 Tyr CB . 16648 1 1357 . 1 1 113 113 TYR CD1 C 13 133.1 0.6 . 3 . . . . 113 Tyr CD1 . 16648 1 1358 . 1 1 113 113 TYR CD2 C 13 133.1 0.6 . 3 . . . . 113 Tyr CD2 . 16648 1 1359 . 1 1 113 113 TYR CE1 C 13 118.1 0.6 . 3 . . . . 113 Tyr CE1 . 16648 1 1360 . 1 1 113 113 TYR CE2 C 13 118.1 0.6 . 3 . . . . 113 Tyr CE2 . 16648 1 1361 . 1 1 113 113 TYR N N 15 119.04 0.6 . 1 . . . . 113 Tyr N . 16648 1 1362 . 1 1 114 114 LEU H H 1 7.874 0.06 . 1 . . . . 114 Leu H . 16648 1 1363 . 1 1 114 114 LEU HA H 1 4.245 0.06 . 1 . . . . 114 Leu HA . 16648 1 1364 . 1 1 114 114 LEU HB2 H 1 1.494 0.06 . 2 . . . . 114 Leu HB2 . 16648 1 1365 . 1 1 114 114 LEU HB3 H 1 1.494 0.06 . 2 . . . . 114 Leu HB3 . 16648 1 1366 . 1 1 114 114 LEU HD11 H 1 0.89 0.06 . 2 . . . . 114 Leu HD1 . 16648 1 1367 . 1 1 114 114 LEU HD12 H 1 0.89 0.06 . 2 . . . . 114 Leu HD1 . 16648 1 1368 . 1 1 114 114 LEU HD13 H 1 0.89 0.06 . 2 . . . . 114 Leu HD1 . 16648 1 1369 . 1 1 114 114 LEU HD21 H 1 0.83 0.06 . 2 . . . . 114 Leu HD2 . 16648 1 1370 . 1 1 114 114 LEU HD22 H 1 0.83 0.06 . 2 . . . . 114 Leu HD2 . 16648 1 1371 . 1 1 114 114 LEU HD23 H 1 0.83 0.06 . 2 . . . . 114 Leu HD2 . 16648 1 1372 . 1 1 114 114 LEU HG H 1 1.492 0.06 . 1 . . . . 114 Leu HG . 16648 1 1373 . 1 1 114 114 LEU C C 13 176.586 0.6 . 1 . . . . 114 Leu C . 16648 1 1374 . 1 1 114 114 LEU CA C 13 55.206 0.6 . 1 . . . . 114 Leu CA . 16648 1 1375 . 1 1 114 114 LEU CB C 13 42.537 0.6 . 1 . . . . 114 Leu CB . 16648 1 1376 . 1 1 114 114 LEU CD1 C 13 25.0 0.6 . 2 . . . . 114 Leu CD1 . 16648 1 1377 . 1 1 114 114 LEU CD2 C 13 23.85 0.6 . 2 . . . . 114 Leu CD2 . 16648 1 1378 . 1 1 114 114 LEU CG C 13 26.85 0.6 . 1 . . . . 114 Leu CG . 16648 1 1379 . 1 1 114 114 LEU N N 15 123.619 0.6 . 1 . . . . 114 Leu N . 16648 1 1380 . 1 1 115 115 GLU H H 1 8.281 0.06 . 1 . . . . 115 Glu H . 16648 1 1381 . 1 1 115 115 GLU HA H 1 4.171 0.06 . 1 . . . . 115 Glu HA . 16648 1 1382 . 1 1 115 115 GLU HB2 H 1 1.907 0.06 . 2 . . . . 115 Glu HB2 . 16648 1 1383 . 1 1 115 115 GLU HB3 H 1 1.845 0.06 . 2 . . . . 115 Glu HB3 . 16648 1 1384 . 1 1 115 115 GLU HG2 H 1 2.197 0.06 . 2 . . . . 115 Glu HG2 . 16648 1 1385 . 1 1 115 115 GLU HG3 H 1 2.141 0.06 . 2 . . . . 115 Glu HG3 . 16648 1 1386 . 1 1 115 115 GLU C C 13 176.023 0.6 . 1 . . . . 115 Glu C . 16648 1 1387 . 1 1 115 115 GLU CA C 13 56.495 0.6 . 1 . . . . 115 Glu CA . 16648 1 1388 . 1 1 115 115 GLU CB C 13 30.46 0.6 . 1 . . . . 115 Glu CB . 16648 1 1389 . 1 1 115 115 GLU CG C 13 36.133 0.6 . 1 . . . . 115 Glu CG . 16648 1 1390 . 1 1 115 115 GLU N N 15 122.028 0.6 . 1 . . . . 115 Glu N . 16648 1 1391 . 1 1 116 116 HIS H H 1 8.3 0.06 . 1 . . . . 116 His H . 16648 1 1392 . 1 1 116 116 HIS HA H 1 4.602 0.06 . 1 . . . . 116 His HA . 16648 1 1393 . 1 1 116 116 HIS HB2 H 1 3.0 0.06 . 2 . . . . 116 His HB2 . 16648 1 1394 . 1 1 116 116 HIS HB3 H 1 3.0 0.06 . 2 . . . . 116 His HB3 . 16648 1 1395 . 1 1 116 116 HIS CA C 13 55.98 0.6 . 1 . . . . 116 His CA . 16648 1 1396 . 1 1 116 116 HIS CB C 13 30.24 0.6 . 1 . . . . 116 His CB . 16648 1 1397 . 1 1 116 116 HIS N N 15 120.05 0.6 . 1 . . . . 116 His N . 16648 1 1398 . 1 1 117 117 HIS H H 1 8.13 0.06 . 1 . . . . 117 His H . 16648 1 1399 . 1 1 117 117 HIS HB2 H 1 3.189 0.06 . 2 . . . . 117 His HB2 . 16648 1 1400 . 1 1 117 117 HIS HB3 H 1 3.06 0.06 . 2 . . . . 117 His HB3 . 16648 1 1401 . 1 1 117 117 HIS CA C 13 57.74 0.6 . 1 . . . . 117 His CA . 16648 1 1402 . 1 1 117 117 HIS CB C 13 30.36 0.6 . 1 . . . . 117 His CB . 16648 1 1403 . 1 1 117 117 HIS N N 15 125.4 0.6 . 1 . . . . 117 His N . 16648 1 stop_ save_