data_16082 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16082 _Entry.Title ; solution structure of FAPP1 PH domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-22 _Entry.Accession_date 2008-12-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Marc Lenoir . . . 16082 2 Uenal Coskun . . . 16082 3 Jonathan James . . . 16082 4 Kai Simons . . . 16082 5 Michael Overduin . . . 16082 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 'not applicable' 'not applicable' . 16082 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FAPP1 . 16082 NMR . 16082 'PH domain' . 16082 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16082 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 465 16082 '15N chemical shifts' 117 16082 '1H chemical shifts' 746 16082 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2014-05-16 2008-12-22 update BMRB 'update entry citation' 16082 2 . . 2010-06-02 2008-12-22 update BMRB 'edit assembly name' 16082 1 . . 2010-01-07 2008-12-22 original author 'original release' 16082 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KCJ 'BMRB Entry Tracking System' 16082 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16082 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21454700 _Citation.Full_citation . _Citation.Title 'Molecular basis of phosphatidylinositol 4-phosphate and ARF1 GTPase recognition by the FAPP1 pleckstrin homology (PH) domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 21 _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 18650 _Citation.Page_last 18657 _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 Ju He . . . 16082 1 2 Jordan Scott . L. . 16082 1 3 Annie Heroux . . . 16082 1 4 Siddhartha Roy . . . 16082 1 5 Marc Lenoir . . . 16082 1 6 Michael Overduin . . . 16082 1 7 Robert Stahelin . V. . 16082 1 8 Tatiana Kutateladze . G. . 16082 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16082 _Assembly.ID 1 _Assembly.Name FAPP1-PH _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 FAPP1-PH 1 $FAPP1-PH A . yes native no no . . . 16082 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FAPP1-PH _Entity.Sf_category entity _Entity.Sf_framecode FAPP1-PH _Entity.Entry_ID 16082 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FAPP1-PH _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 ; GPLGSPEFMEGVLYKWTNYL TGWQPRWFVLDNGILSYYDS QDDVCKGSKGSIKMAVCEIK VHSADNTRMELIIPGEQHFY MKAVNAAERQRWLVALGSSK ASLTDTRT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12219.981 _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 BMRB 19508 . entity . . . . . 100.00 108 99.07 99.07 7.71e-74 . . . . 16082 1 2 no BMRB 19576 . FAPP1 . . . . . 90.74 106 98.98 98.98 1.16e-65 . . . . 16082 1 3 no PDB 2KCJ . "Solution Structure Of Fapp1 Ph Domain" . . . . . 100.00 108 100.00 100.00 1.08e-74 . . . . 16082 1 4 no PDB 2MDX . "Solution Structure Of The Human Wild Type Fapp1-ph Domain" . . . . . 100.00 108 99.07 99.07 7.71e-74 . . . . 16082 1 5 no PDB 3RCP . "Crystal Structure Of The Fapp1 Pleckstrin Homology Domain" . . . . . 90.74 103 96.94 96.94 3.63e-63 . . . . 16082 1 6 no DBJ BAG37067 . "unnamed protein product [Homo sapiens]" . . . . . 92.59 300 99.00 99.00 4.70e-67 . . . . 16082 1 7 no GB AAG15199 . "Phosphoinositol 4-phosphate Adaptor Protein-1 [Homo sapiens]" . . . . . 92.59 300 99.00 99.00 4.60e-67 . . . . 16082 1 8 no GB AAG15200 . "Phosphoinositol 4-phosphate Adaptor Protein-1 [Mus musculus]" . . . . . 92.59 297 98.00 98.00 3.26e-66 . . . . 16082 1 9 no GB AAH31110 . "Pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 3 [Mus musculus]" . . . . . 92.59 297 98.00 98.00 3.26e-66 . . . . 16082 1 10 no GB AAH44567 . "Pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 3 [Homo sapiens]" . . . . . 92.59 300 99.00 99.00 4.70e-67 . . . . 16082 1 11 no GB AAH83759 . "Pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 3 [Rattus norvegicus]" . . . . . 92.59 299 99.00 99.00 6.05e-67 . . . . 16082 1 12 no REF NP_001013095 . "pleckstrin homology domain-containing family A member 3 [Rattus norvegicus]" . . . . . 92.59 299 99.00 99.00 6.05e-67 . . . . 16082 1 13 no REF NP_001095383 . "pleckstrin homology domain-containing family A member 3 [Bos taurus]" . . . . . 92.59 300 99.00 99.00 5.71e-67 . . . . 16082 1 14 no REF NP_001230393 . "pleckstrin homology domain-containing family A member 3 [Sus scrofa]" . . . . . 92.59 300 99.00 99.00 7.81e-67 . . . . 16082 1 15 no REF NP_061964 . "pleckstrin homology domain-containing family A member 3 [Homo sapiens]" . . . . . 92.59 300 99.00 99.00 4.70e-67 . . . . 16082 1 16 no REF NP_112546 . "pleckstrin homology domain-containing family A member 3 [Mus musculus]" . . . . . 92.59 297 98.00 98.00 3.26e-66 . . . . 16082 1 17 no SP Q9ERS4 . "RecName: Full=Pleckstrin homology domain-containing family A member 3; Short=PH domain-containing family A member 3; AltName: F" . . . . . 92.59 297 98.00 98.00 3.26e-66 . . . . 16082 1 18 no SP Q9HB20 . "RecName: Full=Pleckstrin homology domain-containing family A member 3; Short=PH domain-containing family A member 3; AltName: F" . . . . . 92.59 300 99.00 99.00 4.70e-67 . . . . 16082 1 19 no TPG DAA32821 . "TPA: pleckstrin homology domain containing, family A (phosphoinositide binding specific) member 3 [Bos taurus]" . . . . . 92.59 300 99.00 99.00 5.29e-67 . . . . 16082 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 -7 GLY . 16082 1 2 -6 PRO . 16082 1 3 -5 LEU . 16082 1 4 -4 GLY . 16082 1 5 -3 SER . 16082 1 6 -2 PRO . 16082 1 7 -1 GLU . 16082 1 8 0 PHE . 16082 1 9 1 MET . 16082 1 10 2 GLU . 16082 1 11 3 GLY . 16082 1 12 4 VAL . 16082 1 13 5 LEU . 16082 1 14 6 TYR . 16082 1 15 7 LYS . 16082 1 16 8 TRP . 16082 1 17 9 THR . 16082 1 18 10 ASN . 16082 1 19 11 TYR . 16082 1 20 12 LEU . 16082 1 21 13 THR . 16082 1 22 14 GLY . 16082 1 23 15 TRP . 16082 1 24 16 GLN . 16082 1 25 17 PRO . 16082 1 26 18 ARG . 16082 1 27 19 TRP . 16082 1 28 20 PHE . 16082 1 29 21 VAL . 16082 1 30 22 LEU . 16082 1 31 23 ASP . 16082 1 32 24 ASN . 16082 1 33 25 GLY . 16082 1 34 26 ILE . 16082 1 35 27 LEU . 16082 1 36 28 SER . 16082 1 37 29 TYR . 16082 1 38 30 TYR . 16082 1 39 31 ASP . 16082 1 40 32 SER . 16082 1 41 33 GLN . 16082 1 42 34 ASP . 16082 1 43 35 ASP . 16082 1 44 36 VAL . 16082 1 45 37 CYS . 16082 1 46 38 LYS . 16082 1 47 39 GLY . 16082 1 48 40 SER . 16082 1 49 41 LYS . 16082 1 50 42 GLY . 16082 1 51 43 SER . 16082 1 52 44 ILE . 16082 1 53 45 LYS . 16082 1 54 46 MET . 16082 1 55 47 ALA . 16082 1 56 48 VAL . 16082 1 57 49 CYS . 16082 1 58 50 GLU . 16082 1 59 51 ILE . 16082 1 60 52 LYS . 16082 1 61 53 VAL . 16082 1 62 54 HIS . 16082 1 63 55 SER . 16082 1 64 56 ALA . 16082 1 65 57 ASP . 16082 1 66 58 ASN . 16082 1 67 59 THR . 16082 1 68 60 ARG . 16082 1 69 61 MET . 16082 1 70 62 GLU . 16082 1 71 63 LEU . 16082 1 72 64 ILE . 16082 1 73 65 ILE . 16082 1 74 66 PRO . 16082 1 75 67 GLY . 16082 1 76 68 GLU . 16082 1 77 69 GLN . 16082 1 78 70 HIS . 16082 1 79 71 PHE . 16082 1 80 72 TYR . 16082 1 81 73 MET . 16082 1 82 74 LYS . 16082 1 83 75 ALA . 16082 1 84 76 VAL . 16082 1 85 77 ASN . 16082 1 86 78 ALA . 16082 1 87 79 ALA . 16082 1 88 80 GLU . 16082 1 89 81 ARG . 16082 1 90 82 GLN . 16082 1 91 83 ARG . 16082 1 92 84 TRP . 16082 1 93 85 LEU . 16082 1 94 86 VAL . 16082 1 95 87 ALA . 16082 1 96 88 LEU . 16082 1 97 89 GLY . 16082 1 98 90 SER . 16082 1 99 91 SER . 16082 1 100 92 LYS . 16082 1 101 93 ALA . 16082 1 102 94 SER . 16082 1 103 95 LEU . 16082 1 104 96 THR . 16082 1 105 97 ASP . 16082 1 106 98 THR . 16082 1 107 99 ARG . 16082 1 108 100 THR . 16082 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16082 1 . PRO 2 2 16082 1 . LEU 3 3 16082 1 . GLY 4 4 16082 1 . SER 5 5 16082 1 . PRO 6 6 16082 1 . GLU 7 7 16082 1 . PHE 8 8 16082 1 . MET 9 9 16082 1 . GLU 10 10 16082 1 . GLY 11 11 16082 1 . VAL 12 12 16082 1 . LEU 13 13 16082 1 . TYR 14 14 16082 1 . LYS 15 15 16082 1 . TRP 16 16 16082 1 . THR 17 17 16082 1 . ASN 18 18 16082 1 . TYR 19 19 16082 1 . LEU 20 20 16082 1 . THR 21 21 16082 1 . GLY 22 22 16082 1 . TRP 23 23 16082 1 . GLN 24 24 16082 1 . PRO 25 25 16082 1 . ARG 26 26 16082 1 . TRP 27 27 16082 1 . PHE 28 28 16082 1 . VAL 29 29 16082 1 . LEU 30 30 16082 1 . ASP 31 31 16082 1 . ASN 32 32 16082 1 . GLY 33 33 16082 1 . ILE 34 34 16082 1 . LEU 35 35 16082 1 . SER 36 36 16082 1 . TYR 37 37 16082 1 . TYR 38 38 16082 1 . ASP 39 39 16082 1 . SER 40 40 16082 1 . GLN 41 41 16082 1 . ASP 42 42 16082 1 . ASP 43 43 16082 1 . VAL 44 44 16082 1 . CYS 45 45 16082 1 . LYS 46 46 16082 1 . GLY 47 47 16082 1 . SER 48 48 16082 1 . LYS 49 49 16082 1 . GLY 50 50 16082 1 . SER 51 51 16082 1 . ILE 52 52 16082 1 . LYS 53 53 16082 1 . MET 54 54 16082 1 . ALA 55 55 16082 1 . VAL 56 56 16082 1 . CYS 57 57 16082 1 . GLU 58 58 16082 1 . ILE 59 59 16082 1 . LYS 60 60 16082 1 . VAL 61 61 16082 1 . HIS 62 62 16082 1 . SER 63 63 16082 1 . ALA 64 64 16082 1 . ASP 65 65 16082 1 . ASN 66 66 16082 1 . THR 67 67 16082 1 . ARG 68 68 16082 1 . MET 69 69 16082 1 . GLU 70 70 16082 1 . LEU 71 71 16082 1 . ILE 72 72 16082 1 . ILE 73 73 16082 1 . PRO 74 74 16082 1 . GLY 75 75 16082 1 . GLU 76 76 16082 1 . GLN 77 77 16082 1 . HIS 78 78 16082 1 . PHE 79 79 16082 1 . TYR 80 80 16082 1 . MET 81 81 16082 1 . LYS 82 82 16082 1 . ALA 83 83 16082 1 . VAL 84 84 16082 1 . ASN 85 85 16082 1 . ALA 86 86 16082 1 . ALA 87 87 16082 1 . GLU 88 88 16082 1 . ARG 89 89 16082 1 . GLN 90 90 16082 1 . ARG 91 91 16082 1 . TRP 92 92 16082 1 . LEU 93 93 16082 1 . VAL 94 94 16082 1 . ALA 95 95 16082 1 . LEU 96 96 16082 1 . GLY 97 97 16082 1 . SER 98 98 16082 1 . SER 99 99 16082 1 . LYS 100 100 16082 1 . ALA 101 101 16082 1 . SER 102 102 16082 1 . LEU 103 103 16082 1 . THR 104 104 16082 1 . ASP 105 105 16082 1 . THR 106 106 16082 1 . ARG 107 107 16082 1 . THR 108 108 16082 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 16082 _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 $FAPP1-PH . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16082 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 16082 _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 $FAPP1-PH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-6P-1 . . . . . . 16082 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16082 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FAPP1-PH '[U-13C; U-15N]' . . 1 $FAPP1-PH . . 600 . . uM . . . . 16082 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16082 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16082 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16082 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16082 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FAPP1-PH [U-15N] . . 1 $FAPP1-PH . . 600 . . uM . . . . 16082 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16082 2 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16082 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16082 2 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 16082 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 16082 1 pressure 1 . atm 16082 1 temperature 298 . K 16082 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16082 _Software.ID 1 _Software.Name ARIA _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16082 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16082 1 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 16082 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16082 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 16082 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 16082 _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' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16082 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16082 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16082 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16082 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16082 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16082 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16082 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16082 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16082 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16082 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.75 na indirect 0.2514598 . . . . . . . . . 16082 1 H 1 water protons . . . . ppm 4.75 na direct 1 . . . . . . . . . 16082 1 N 15 water protons . . . . ppm 4.75 na indirect 0.1013409 . . . . . . . . . 16082 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 16082 _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 2 '3D HNCO' . . . 16082 1 3 '3D HNCA' . . . 16082 1 4 '3D HNCACB' . . . 16082 1 5 '3D HCCH-TOCSY' . . . 16082 1 6 '3D CBCA(CO)NH' . . . 16082 1 7 '3D HN(CO)CA' . . . 16082 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 PRO HA H 1 4.460 0.003 . 1 . . . . -6 PRO HA . 16082 1 2 . 1 1 2 2 PRO HB2 H 1 1.939 0.002 . 2 . . . . -6 PRO HB2 . 16082 1 3 . 1 1 2 2 PRO HB3 H 1 2.293 0.005 . 2 . . . . -6 PRO HB3 . 16082 1 4 . 1 1 2 2 PRO HD2 H 1 3.546 0.004 . 1 . . . . -6 PRO HD2 . 16082 1 5 . 1 1 2 2 PRO HD3 H 1 3.546 0.004 . 1 . . . . -6 PRO HD3 . 16082 1 6 . 1 1 2 2 PRO HG2 H 1 1.999 0.002 . 1 . . . . -6 PRO HG2 . 16082 1 7 . 1 1 2 2 PRO HG3 H 1 1.999 0.002 . 1 . . . . -6 PRO HG3 . 16082 1 8 . 1 1 2 2 PRO C C 13 176.875 0.000 . 1 . . . . -6 PRO C . 16082 1 9 . 1 1 2 2 PRO CA C 13 63.159 0.088 . 1 . . . . -6 PRO CA . 16082 1 10 . 1 1 2 2 PRO CB C 13 32.292 0.048 . 1 . . . . -6 PRO CB . 16082 1 11 . 1 1 2 2 PRO CD C 13 49.650 0.058 . 1 . . . . -6 PRO CD . 16082 1 12 . 1 1 2 2 PRO CG C 13 27.078 0.098 . 1 . . . . -6 PRO CG . 16082 1 13 . 1 1 3 3 LEU H H 1 8.483 0.005 . 1 . . . . -5 LEU H . 16082 1 14 . 1 1 3 3 LEU HA H 1 4.334 0.004 . 1 . . . . -5 LEU HA . 16082 1 15 . 1 1 3 3 LEU HB2 H 1 1.608 0.004 . 2 . . . . -5 LEU HB2 . 16082 1 16 . 1 1 3 3 LEU HB3 H 1 1.668 0.006 . 2 . . . . -5 LEU HB3 . 16082 1 17 . 1 1 3 3 LEU HD11 H 1 0.938 0.003 . 2 . . . . -5 LEU HD11 . 16082 1 18 . 1 1 3 3 LEU HD12 H 1 0.938 0.003 . 2 . . . . -5 LEU HD12 . 16082 1 19 . 1 1 3 3 LEU HD13 H 1 0.938 0.003 . 2 . . . . -5 LEU HD13 . 16082 1 20 . 1 1 3 3 LEU HD21 H 1 0.892 0.002 . 2 . . . . -5 LEU HD21 . 16082 1 21 . 1 1 3 3 LEU HD22 H 1 0.892 0.002 . 2 . . . . -5 LEU HD22 . 16082 1 22 . 1 1 3 3 LEU HD23 H 1 0.892 0.002 . 2 . . . . -5 LEU HD23 . 16082 1 23 . 1 1 3 3 LEU HG H 1 1.654 0.002 . 1 . . . . -5 LEU HG . 16082 1 24 . 1 1 3 3 LEU C C 13 177.797 0.000 . 1 . . . . -5 LEU C . 16082 1 25 . 1 1 3 3 LEU CA C 13 55.474 0.053 . 1 . . . . -5 LEU CA . 16082 1 26 . 1 1 3 3 LEU CB C 13 42.239 0.063 . 1 . . . . -5 LEU CB . 16082 1 27 . 1 1 3 3 LEU CD1 C 13 23.573 0.114 . 2 . . . . -5 LEU CD1 . 16082 1 28 . 1 1 3 3 LEU CD2 C 13 24.910 0.040 . 2 . . . . -5 LEU CD2 . 16082 1 29 . 1 1 3 3 LEU CG C 13 27.091 0.026 . 1 . . . . -5 LEU CG . 16082 1 30 . 1 1 3 3 LEU N N 15 122.315 0.030 . 1 . . . . -5 LEU N . 16082 1 31 . 1 1 4 4 GLY H H 1 8.393 0.004 . 1 . . . . -4 GLY H . 16082 1 32 . 1 1 4 4 GLY HA2 H 1 3.978 0.003 . 1 . . . . -4 GLY HA2 . 16082 1 33 . 1 1 4 4 GLY HA3 H 1 3.978 0.003 . 1 . . . . -4 GLY HA3 . 16082 1 34 . 1 1 4 4 GLY C C 13 173.730 0.000 . 1 . . . . -4 GLY C . 16082 1 35 . 1 1 4 4 GLY CA C 13 45.158 0.058 . 1 . . . . -4 GLY CA . 16082 1 36 . 1 1 4 4 GLY N N 15 109.911 0.043 . 1 . . . . -4 GLY N . 16082 1 37 . 1 1 5 5 SER H H 1 8.162 0.006 . 1 . . . . -3 SER H . 16082 1 38 . 1 1 5 5 SER HA H 1 4.764 0.005 . 1 . . . . -3 SER HA . 16082 1 39 . 1 1 5 5 SER HB2 H 1 3.879 0.004 . 1 . . . . -3 SER HB2 . 16082 1 40 . 1 1 5 5 SER HB3 H 1 3.879 0.004 . 1 . . . . -3 SER HB3 . 16082 1 41 . 1 1 5 5 SER CA C 13 56.323 0.016 . 1 . . . . -3 SER CA . 16082 1 42 . 1 1 5 5 SER CB C 13 63.515 0.060 . 1 . . . . -3 SER CB . 16082 1 43 . 1 1 5 5 SER N N 15 116.873 0.013 . 1 . . . . -3 SER N . 16082 1 44 . 1 1 6 6 PRO HA H 1 4.399 0.005 . 1 . . . . -2 PRO HA . 16082 1 45 . 1 1 6 6 PRO HB2 H 1 1.941 0.000 . 2 . . . . -2 PRO HB2 . 16082 1 46 . 1 1 6 6 PRO HB3 H 1 2.216 0.000 . 2 . . . . -2 PRO HB3 . 16082 1 47 . 1 1 6 6 PRO C C 13 176.587 0.000 . 1 . . . . -2 PRO C . 16082 1 48 . 1 1 6 6 PRO CA C 13 63.552 0.060 . 1 . . . . -2 PRO CA . 16082 1 49 . 1 1 6 6 PRO CB C 13 31.997 0.048 . 1 . . . . -2 PRO CB . 16082 1 50 . 1 1 7 7 GLU H H 1 8.364 0.019 . 1 . . . . -1 GLU H . 16082 1 51 . 1 1 7 7 GLU HA H 1 4.285 0.002 . 1 . . . . -1 GLU HA . 16082 1 52 . 1 1 7 7 GLU HB2 H 1 1.964 0.003 . 1 . . . . -1 GLU HB2 . 16082 1 53 . 1 1 7 7 GLU HB3 H 1 1.964 0.003 . 1 . . . . -1 GLU HB3 . 16082 1 54 . 1 1 7 7 GLU HG2 H 1 2.255 0.002 . 2 . . . . -1 GLU HG2 . 16082 1 55 . 1 1 7 7 GLU HG3 H 1 2.332 0.003 . 2 . . . . -1 GLU HG3 . 16082 1 56 . 1 1 7 7 GLU C C 13 174.954 0.000 . 1 . . . . -1 GLU C . 16082 1 57 . 1 1 7 7 GLU CA C 13 56.486 0.047 . 1 . . . . -1 GLU CA . 16082 1 58 . 1 1 7 7 GLU CB C 13 29.924 0.076 . 1 . . . . -1 GLU CB . 16082 1 59 . 1 1 7 7 GLU CG C 13 35.519 0.035 . 1 . . . . -1 GLU CG . 16082 1 60 . 1 1 7 7 GLU N N 15 119.665 0.060 . 1 . . . . -1 GLU N . 16082 1 61 . 1 1 8 8 PHE H H 1 7.872 0.009 . 1 . . . . 0 PHE H . 16082 1 62 . 1 1 8 8 PHE HA H 1 5.204 0.004 . 1 . . . . 0 PHE HA . 16082 1 63 . 1 1 8 8 PHE HB2 H 1 2.861 0.005 . 2 . . . . 0 PHE HB2 . 16082 1 64 . 1 1 8 8 PHE HB3 H 1 3.138 0.005 . 2 . . . . 0 PHE HB3 . 16082 1 65 . 1 1 8 8 PHE HD1 H 1 7.225 0.003 . 3 . . . . 0 PHE HD1 . 16082 1 66 . 1 1 8 8 PHE HD2 H 1 7.225 0.003 . 3 . . . . 0 PHE HD2 . 16082 1 67 . 1 1 8 8 PHE C C 13 174.670 0.000 . 1 . . . . 0 PHE C . 16082 1 68 . 1 1 8 8 PHE CA C 13 56.861 0.114 . 1 . . . . 0 PHE CA . 16082 1 69 . 1 1 8 8 PHE CB C 13 41.874 0.086 . 1 . . . . 0 PHE CB . 16082 1 70 . 1 1 8 8 PHE CD1 C 13 130.414 0.043 . 3 . . . . 0 PHE CD1 . 16082 1 71 . 1 1 8 8 PHE CD2 C 13 130.414 0.043 . 3 . . . . 0 PHE CD2 . 16082 1 72 . 1 1 8 8 PHE N N 15 122.497 0.055 . 1 . . . . 0 PHE N . 16082 1 73 . 1 1 9 9 MET H H 1 7.833 0.007 . 1 . . . . 1 MET H . 16082 1 74 . 1 1 9 9 MET HA H 1 4.095 0.003 . 1 . . . . 1 MET HA . 16082 1 75 . 1 1 9 9 MET HB2 H 1 1.043 0.008 . 2 . . . . 1 MET HB2 . 16082 1 76 . 1 1 9 9 MET HB3 H 1 1.384 0.005 . 2 . . . . 1 MET HB3 . 16082 1 77 . 1 1 9 9 MET HE1 H 1 0.978 0.001 . 1 . . . . 1 MET HE1 . 16082 1 78 . 1 1 9 9 MET HE2 H 1 0.978 0.001 . 1 . . . . 1 MET HE2 . 16082 1 79 . 1 1 9 9 MET HE3 H 1 0.978 0.001 . 1 . . . . 1 MET HE3 . 16082 1 80 . 1 1 9 9 MET HG2 H 1 0.997 0.006 . 1 . . . . 1 MET HG2 . 16082 1 81 . 1 1 9 9 MET HG3 H 1 0.997 0.006 . 1 . . . . 1 MET HG3 . 16082 1 82 . 1 1 9 9 MET C C 13 171.191 0.000 . 1 . . . . 1 MET C . 16082 1 83 . 1 1 9 9 MET CA C 13 54.613 0.068 . 1 . . . . 1 MET CA . 16082 1 84 . 1 1 9 9 MET CB C 13 34.867 0.083 . 1 . . . . 1 MET CB . 16082 1 85 . 1 1 9 9 MET CE C 13 16.369 0.017 . 1 . . . . 1 MET CE . 16082 1 86 . 1 1 9 9 MET CG C 13 31.648 0.048 . 1 . . . . 1 MET CG . 16082 1 87 . 1 1 9 9 MET N N 15 127.163 0.034 . 1 . . . . 1 MET N . 16082 1 88 . 1 1 10 10 GLU H H 1 7.698 0.011 . 1 . . . . 2 GLU H . 16082 1 89 . 1 1 10 10 GLU HA H 1 5.603 0.003 . 1 . . . . 2 GLU HA . 16082 1 90 . 1 1 10 10 GLU HB2 H 1 1.901 0.005 . 2 . . . . 2 GLU HB2 . 16082 1 91 . 1 1 10 10 GLU HB3 H 1 2.045 0.005 . 2 . . . . 2 GLU HB3 . 16082 1 92 . 1 1 10 10 GLU HG2 H 1 2.249 0.003 . 2 . . . . 2 GLU HG2 . 16082 1 93 . 1 1 10 10 GLU HG3 H 1 2.440 0.006 . 2 . . . . 2 GLU HG3 . 16082 1 94 . 1 1 10 10 GLU C C 13 174.743 0.000 . 1 . . . . 2 GLU C . 16082 1 95 . 1 1 10 10 GLU CA C 13 53.345 0.065 . 1 . . . . 2 GLU CA . 16082 1 96 . 1 1 10 10 GLU CB C 13 32.408 0.015 . 1 . . . . 2 GLU CB . 16082 1 97 . 1 1 10 10 GLU CG C 13 34.026 0.015 . 1 . . . . 2 GLU CG . 16082 1 98 . 1 1 10 10 GLU N N 15 118.654 0.077 . 1 . . . . 2 GLU N . 16082 1 99 . 1 1 11 11 GLY H H 1 7.994 0.006 . 1 . . . . 3 GLY H . 16082 1 100 . 1 1 11 11 GLY HA2 H 1 3.115 0.005 . 2 . . . . 3 GLY HA2 . 16082 1 101 . 1 1 11 11 GLY HA3 H 1 4.377 0.005 . 2 . . . . 3 GLY HA3 . 16082 1 102 . 1 1 11 11 GLY C C 13 170.878 0.000 . 1 . . . . 3 GLY C . 16082 1 103 . 1 1 11 11 GLY CA C 13 45.086 0.064 . 1 . . . . 3 GLY CA . 16082 1 104 . 1 1 11 11 GLY N N 15 108.296 0.043 . 1 . . . . 3 GLY N . 16082 1 105 . 1 1 12 12 VAL H H 1 8.463 0.006 . 1 . . . . 4 VAL H . 16082 1 106 . 1 1 12 12 VAL HA H 1 4.969 0.009 . 1 . . . . 4 VAL HA . 16082 1 107 . 1 1 12 12 VAL HB H 1 2.068 0.003 . 1 . . . . 4 VAL HB . 16082 1 108 . 1 1 12 12 VAL HG11 H 1 0.783 0.002 . 2 . . . . 4 VAL HG11 . 16082 1 109 . 1 1 12 12 VAL HG12 H 1 0.783 0.002 . 2 . . . . 4 VAL HG12 . 16082 1 110 . 1 1 12 12 VAL HG13 H 1 0.783 0.002 . 2 . . . . 4 VAL HG13 . 16082 1 111 . 1 1 12 12 VAL HG21 H 1 1.375 0.003 . 2 . . . . 4 VAL HG21 . 16082 1 112 . 1 1 12 12 VAL HG22 H 1 1.375 0.003 . 2 . . . . 4 VAL HG22 . 16082 1 113 . 1 1 12 12 VAL HG23 H 1 1.375 0.003 . 2 . . . . 4 VAL HG23 . 16082 1 114 . 1 1 12 12 VAL C C 13 177.805 0.000 . 1 . . . . 4 VAL C . 16082 1 115 . 1 1 12 12 VAL CA C 13 62.373 0.099 . 1 . . . . 4 VAL CA . 16082 1 116 . 1 1 12 12 VAL CB C 13 33.152 0.073 . 1 . . . . 4 VAL CB . 16082 1 117 . 1 1 12 12 VAL CG1 C 13 20.775 0.053 . 2 . . . . 4 VAL CG1 . 16082 1 118 . 1 1 12 12 VAL CG2 C 13 22.649 0.061 . 2 . . . . 4 VAL CG2 . 16082 1 119 . 1 1 12 12 VAL N N 15 119.624 0.036 . 1 . . . . 4 VAL N . 16082 1 120 . 1 1 13 13 LEU H H 1 8.647 0.006 . 1 . . . . 5 LEU H . 16082 1 121 . 1 1 13 13 LEU HA H 1 4.382 0.004 . 1 . . . . 5 LEU HA . 16082 1 122 . 1 1 13 13 LEU HB2 H 1 0.530 0.007 . 2 . . . . 5 LEU HB2 . 16082 1 123 . 1 1 13 13 LEU HB3 H 1 1.073 0.004 . 2 . . . . 5 LEU HB3 . 16082 1 124 . 1 1 13 13 LEU HD11 H 1 -1.306 0.004 . 2 . . . . 5 LEU HD11 . 16082 1 125 . 1 1 13 13 LEU HD12 H 1 -1.306 0.004 . 2 . . . . 5 LEU HD12 . 16082 1 126 . 1 1 13 13 LEU HD13 H 1 -1.306 0.004 . 2 . . . . 5 LEU HD13 . 16082 1 127 . 1 1 13 13 LEU HD21 H 1 0.220 0.003 . 2 . . . . 5 LEU HD21 . 16082 1 128 . 1 1 13 13 LEU HD22 H 1 0.220 0.003 . 2 . . . . 5 LEU HD22 . 16082 1 129 . 1 1 13 13 LEU HD23 H 1 0.220 0.003 . 2 . . . . 5 LEU HD23 . 16082 1 130 . 1 1 13 13 LEU HG H 1 0.650 0.003 . 1 . . . . 5 LEU HG . 16082 1 131 . 1 1 13 13 LEU C C 13 175.407 0.000 . 1 . . . . 5 LEU C . 16082 1 132 . 1 1 13 13 LEU CA C 13 54.139 0.083 . 1 . . . . 5 LEU CA . 16082 1 133 . 1 1 13 13 LEU CB C 13 46.374 0.082 . 1 . . . . 5 LEU CB . 16082 1 134 . 1 1 13 13 LEU CD1 C 13 23.171 0.070 . 2 . . . . 5 LEU CD1 . 16082 1 135 . 1 1 13 13 LEU CD2 C 13 23.434 0.059 . 2 . . . . 5 LEU CD2 . 16082 1 136 . 1 1 13 13 LEU CG C 13 26.295 0.068 . 1 . . . . 5 LEU CG . 16082 1 137 . 1 1 13 13 LEU N N 15 125.806 0.040 . 1 . . . . 5 LEU N . 16082 1 138 . 1 1 14 14 TYR H H 1 9.007 0.006 . 1 . . . . 6 TYR H . 16082 1 139 . 1 1 14 14 TYR HA H 1 5.026 0.003 . 1 . . . . 6 TYR HA . 16082 1 140 . 1 1 14 14 TYR HB2 H 1 2.808 0.006 . 2 . . . . 6 TYR HB2 . 16082 1 141 . 1 1 14 14 TYR HB3 H 1 3.062 0.005 . 2 . . . . 6 TYR HB3 . 16082 1 142 . 1 1 14 14 TYR HD1 H 1 6.832 0.000 . 3 . . . . 6 TYR HD1 . 16082 1 143 . 1 1 14 14 TYR HD2 H 1 6.832 0.000 . 3 . . . . 6 TYR HD2 . 16082 1 144 . 1 1 14 14 TYR C C 13 175.047 0.000 . 1 . . . . 6 TYR C . 16082 1 145 . 1 1 14 14 TYR CA C 13 57.484 0.065 . 1 . . . . 6 TYR CA . 16082 1 146 . 1 1 14 14 TYR CB C 13 39.400 0.093 . 1 . . . . 6 TYR CB . 16082 1 147 . 1 1 14 14 TYR N N 15 118.975 0.042 . 1 . . . . 6 TYR N . 16082 1 148 . 1 1 15 15 LYS H H 1 9.549 0.006 . 1 . . . . 7 LYS H . 16082 1 149 . 1 1 15 15 LYS HA H 1 5.467 0.005 . 1 . . . . 7 LYS HA . 16082 1 150 . 1 1 15 15 LYS HB2 H 1 1.522 0.007 . 2 . . . . 7 LYS HB2 . 16082 1 151 . 1 1 15 15 LYS HB3 H 1 1.729 0.002 . 2 . . . . 7 LYS HB3 . 16082 1 152 . 1 1 15 15 LYS HD2 H 1 0.985 0.004 . 2 . . . . 7 LYS HD2 . 16082 1 153 . 1 1 15 15 LYS HD3 H 1 1.174 0.005 . 2 . . . . 7 LYS HD3 . 16082 1 154 . 1 1 15 15 LYS HE2 H 1 2.277 0.005 . 2 . . . . 7 LYS HE2 . 16082 1 155 . 1 1 15 15 LYS HE3 H 1 2.365 0.005 . 2 . . . . 7 LYS HE3 . 16082 1 156 . 1 1 15 15 LYS HG2 H 1 1.340 0.000 . 1 . . . . 7 LYS HG2 . 16082 1 157 . 1 1 15 15 LYS HG3 H 1 1.340 0.000 . 1 . . . . 7 LYS HG3 . 16082 1 158 . 1 1 15 15 LYS C C 13 175.772 0.000 . 1 . . . . 7 LYS C . 16082 1 159 . 1 1 15 15 LYS CA C 13 54.136 0.069 . 1 . . . . 7 LYS CA . 16082 1 160 . 1 1 15 15 LYS CB C 13 37.043 0.061 . 1 . . . . 7 LYS CB . 16082 1 161 . 1 1 15 15 LYS CD C 13 29.340 0.053 . 1 . . . . 7 LYS CD . 16082 1 162 . 1 1 15 15 LYS CE C 13 41.902 0.061 . 1 . . . . 7 LYS CE . 16082 1 163 . 1 1 15 15 LYS CG C 13 24.804 0.030 . 1 . . . . 7 LYS CG . 16082 1 164 . 1 1 15 15 LYS N N 15 123.867 0.025 . 1 . . . . 7 LYS N . 16082 1 165 . 1 1 16 16 TRP H H 1 8.355 0.005 . 1 . . . . 8 TRP H . 16082 1 166 . 1 1 16 16 TRP HA H 1 3.893 0.007 . 1 . . . . 8 TRP HA . 16082 1 167 . 1 1 16 16 TRP HB2 H 1 1.490 0.007 . 2 . . . . 8 TRP HB2 . 16082 1 168 . 1 1 16 16 TRP HB3 H 1 2.731 0.003 . 2 . . . . 8 TRP HB3 . 16082 1 169 . 1 1 16 16 TRP HD1 H 1 6.238 0.013 . 1 . . . . 8 TRP HD1 . 16082 1 170 . 1 1 16 16 TRP HE1 H 1 9.825 0.006 . 1 . . . . 8 TRP HE1 . 16082 1 171 . 1 1 16 16 TRP HE3 H 1 5.417 0.005 . 1 . . . . 8 TRP HE3 . 16082 1 172 . 1 1 16 16 TRP HH2 H 1 6.865 0.003 . 1 . . . . 8 TRP HH2 . 16082 1 173 . 1 1 16 16 TRP HZ2 H 1 6.644 0.004 . 1 . . . . 8 TRP HZ2 . 16082 1 174 . 1 1 16 16 TRP HZ3 H 1 6.511 0.005 . 1 . . . . 8 TRP HZ3 . 16082 1 175 . 1 1 16 16 TRP C C 13 176.038 0.000 . 1 . . . . 8 TRP C . 16082 1 176 . 1 1 16 16 TRP CA C 13 57.880 0.082 . 1 . . . . 8 TRP CA . 16082 1 177 . 1 1 16 16 TRP CB C 13 29.347 0.063 . 1 . . . . 8 TRP CB . 16082 1 178 . 1 1 16 16 TRP CD1 C 13 124.831 0.000 . 1 . . . . 8 TRP CD1 . 16082 1 179 . 1 1 16 16 TRP CE3 C 13 117.483 0.000 . 1 . . . . 8 TRP CE3 . 16082 1 180 . 1 1 16 16 TRP CH2 C 13 122.691 0.046 . 1 . . . . 8 TRP CH2 . 16082 1 181 . 1 1 16 16 TRP CZ2 C 13 112.045 0.023 . 1 . . . . 8 TRP CZ2 . 16082 1 182 . 1 1 16 16 TRP CZ3 C 13 119.858 0.016 . 1 . . . . 8 TRP CZ3 . 16082 1 183 . 1 1 16 16 TRP N N 15 129.111 0.032 . 1 . . . . 8 TRP N . 16082 1 184 . 1 1 16 16 TRP NE1 N 15 129.185 0.059 . 1 . . . . 8 TRP NE1 . 16082 1 185 . 1 1 17 17 THR H H 1 6.754 0.010 . 1 . . . . 9 THR H . 16082 1 186 . 1 1 17 17 THR HA H 1 4.127 0.002 . 1 . . . . 9 THR HA . 16082 1 187 . 1 1 17 17 THR HB H 1 3.848 0.002 . 1 . . . . 9 THR HB . 16082 1 188 . 1 1 17 17 THR HG21 H 1 1.055 0.002 . 1 . . . . 9 THR HG21 . 16082 1 189 . 1 1 17 17 THR HG22 H 1 1.055 0.002 . 1 . . . . 9 THR HG22 . 16082 1 190 . 1 1 17 17 THR HG23 H 1 1.055 0.002 . 1 . . . . 9 THR HG23 . 16082 1 191 . 1 1 17 17 THR C C 13 172.153 0.000 . 1 . . . . 9 THR C . 16082 1 192 . 1 1 17 17 THR CA C 13 61.413 0.076 . 1 . . . . 9 THR CA . 16082 1 193 . 1 1 17 17 THR CB C 13 69.317 0.093 . 1 . . . . 9 THR CB . 16082 1 194 . 1 1 17 17 THR CG2 C 13 21.446 0.076 . 1 . . . . 9 THR CG2 . 16082 1 195 . 1 1 17 17 THR N N 15 121.030 0.063 . 1 . . . . 9 THR N . 16082 1 196 . 1 1 18 18 ASN H H 1 7.418 0.006 . 1 . . . . 10 ASN H . 16082 1 197 . 1 1 18 18 ASN HA H 1 4.051 0.005 . 1 . . . . 10 ASN HA . 16082 1 198 . 1 1 18 18 ASN HB2 H 1 2.927 0.017 . 2 . . . . 10 ASN HB2 . 16082 1 199 . 1 1 18 18 ASN HB3 H 1 2.948 0.014 . 2 . . . . 10 ASN HB3 . 16082 1 200 . 1 1 18 18 ASN HD21 H 1 6.778 0.005 . 1 . . . . 10 ASN HD21 . 16082 1 201 . 1 1 18 18 ASN HD22 H 1 7.525 0.005 . 1 . . . . 10 ASN HD22 . 16082 1 202 . 1 1 18 18 ASN C C 13 174.308 0.000 . 1 . . . . 10 ASN C . 16082 1 203 . 1 1 18 18 ASN CA C 13 52.089 0.070 . 1 . . . . 10 ASN CA . 16082 1 204 . 1 1 18 18 ASN CB C 13 39.339 0.069 . 1 . . . . 10 ASN CB . 16082 1 205 . 1 1 18 18 ASN N N 15 115.655 0.044 . 1 . . . . 10 ASN N . 16082 1 206 . 1 1 18 18 ASN ND2 N 15 114.459 0.204 . 1 . . . . 10 ASN ND2 . 16082 1 207 . 1 1 19 19 TYR H H 1 8.348 0.009 . 1 . . . . 11 TYR H . 16082 1 208 . 1 1 19 19 TYR HA H 1 4.284 0.004 . 1 . . . . 11 TYR HA . 16082 1 209 . 1 1 19 19 TYR HB2 H 1 3.177 0.007 . 1 . . . . 11 TYR HB2 . 16082 1 210 . 1 1 19 19 TYR HB3 H 1 3.177 0.007 . 1 . . . . 11 TYR HB3 . 16082 1 211 . 1 1 19 19 TYR HD1 H 1 7.279 0.003 . 3 . . . . 11 TYR HD1 . 16082 1 212 . 1 1 19 19 TYR HD2 H 1 7.279 0.003 . 3 . . . . 11 TYR HD2 . 16082 1 213 . 1 1 19 19 TYR HE1 H 1 6.898 0.001 . 3 . . . . 11 TYR HE1 . 16082 1 214 . 1 1 19 19 TYR HE2 H 1 6.898 0.001 . 3 . . . . 11 TYR HE2 . 16082 1 215 . 1 1 19 19 TYR C C 13 175.974 0.000 . 1 . . . . 11 TYR C . 16082 1 216 . 1 1 19 19 TYR CA C 13 60.774 0.073 . 1 . . . . 11 TYR CA . 16082 1 217 . 1 1 19 19 TYR CB C 13 37.815 0.112 . 1 . . . . 11 TYR CB . 16082 1 218 . 1 1 19 19 TYR CD1 C 13 131.604 0.007 . 3 . . . . 11 TYR CD1 . 16082 1 219 . 1 1 19 19 TYR CD2 C 13 131.604 0.007 . 3 . . . . 11 TYR CD2 . 16082 1 220 . 1 1 19 19 TYR CE1 C 13 116.841 0.000 . 3 . . . . 11 TYR CE1 . 16082 1 221 . 1 1 19 19 TYR CE2 C 13 116.841 0.000 . 3 . . . . 11 TYR CE2 . 16082 1 222 . 1 1 19 19 TYR N N 15 115.508 0.046 . 1 . . . . 11 TYR N . 16082 1 223 . 1 1 20 20 LEU H H 1 7.827 0.006 . 1 . . . . 12 LEU H . 16082 1 224 . 1 1 20 20 LEU HA H 1 4.091 0.004 . 1 . . . . 12 LEU HA . 16082 1 225 . 1 1 20 20 LEU HB2 H 1 1.445 0.004 . 2 . . . . 12 LEU HB2 . 16082 1 226 . 1 1 20 20 LEU HB3 H 1 1.536 0.004 . 2 . . . . 12 LEU HB3 . 16082 1 227 . 1 1 20 20 LEU HD11 H 1 0.776 0.002 . 2 . . . . 12 LEU HD11 . 16082 1 228 . 1 1 20 20 LEU HD12 H 1 0.776 0.002 . 2 . . . . 12 LEU HD12 . 16082 1 229 . 1 1 20 20 LEU HD13 H 1 0.776 0.002 . 2 . . . . 12 LEU HD13 . 16082 1 230 . 1 1 20 20 LEU HD21 H 1 0.816 0.011 . 2 . . . . 12 LEU HD21 . 16082 1 231 . 1 1 20 20 LEU HD22 H 1 0.816 0.011 . 2 . . . . 12 LEU HD22 . 16082 1 232 . 1 1 20 20 LEU HD23 H 1 0.816 0.011 . 2 . . . . 12 LEU HD23 . 16082 1 233 . 1 1 20 20 LEU HG H 1 1.168 0.003 . 1 . . . . 12 LEU HG . 16082 1 234 . 1 1 20 20 LEU C C 13 178.711 0.000 . 1 . . . . 12 LEU C . 16082 1 235 . 1 1 20 20 LEU CA C 13 56.966 0.088 . 1 . . . . 12 LEU CA . 16082 1 236 . 1 1 20 20 LEU CB C 13 41.922 0.060 . 1 . . . . 12 LEU CB . 16082 1 237 . 1 1 20 20 LEU CD1 C 13 24.519 0.048 . 2 . . . . 12 LEU CD1 . 16082 1 238 . 1 1 20 20 LEU CD2 C 13 23.779 0.092 . 2 . . . . 12 LEU CD2 . 16082 1 239 . 1 1 20 20 LEU CG C 13 26.787 0.071 . 1 . . . . 12 LEU CG . 16082 1 240 . 1 1 20 20 LEU N N 15 120.867 0.048 . 1 . . . . 12 LEU N . 16082 1 241 . 1 1 21 21 THR H H 1 7.651 0.008 . 1 . . . . 13 THR H . 16082 1 242 . 1 1 21 21 THR HA H 1 4.162 0.000 . 1 . . . . 13 THR HA . 16082 1 243 . 1 1 21 21 THR HB H 1 4.102 0.005 . 1 . . . . 13 THR HB . 16082 1 244 . 1 1 21 21 THR HG21 H 1 1.060 0.002 . 1 . . . . 13 THR HG21 . 16082 1 245 . 1 1 21 21 THR HG22 H 1 1.060 0.002 . 1 . . . . 13 THR HG22 . 16082 1 246 . 1 1 21 21 THR HG23 H 1 1.060 0.002 . 1 . . . . 13 THR HG23 . 16082 1 247 . 1 1 21 21 THR C C 13 175.842 0.000 . 1 . . . . 13 THR C . 16082 1 248 . 1 1 21 21 THR CA C 13 62.159 0.064 . 1 . . . . 13 THR CA . 16082 1 249 . 1 1 21 21 THR CB C 13 69.191 0.084 . 1 . . . . 13 THR CB . 16082 1 250 . 1 1 21 21 THR CG2 C 13 22.006 0.061 . 1 . . . . 13 THR CG2 . 16082 1 251 . 1 1 21 21 THR N N 15 108.304 0.059 . 1 . . . . 13 THR N . 16082 1 252 . 1 1 22 22 GLY H H 1 7.679 0.007 . 1 . . . . 14 GLY H . 16082 1 253 . 1 1 22 22 GLY HA2 H 1 2.802 0.004 . 2 . . . . 14 GLY HA2 . 16082 1 254 . 1 1 22 22 GLY HA3 H 1 3.715 0.003 . 2 . . . . 14 GLY HA3 . 16082 1 255 . 1 1 22 22 GLY C C 13 175.108 0.000 . 1 . . . . 14 GLY C . 16082 1 256 . 1 1 22 22 GLY CA C 13 46.131 0.067 . 1 . . . . 14 GLY CA . 16082 1 257 . 1 1 22 22 GLY N N 15 109.901 0.046 . 1 . . . . 14 GLY N . 16082 1 258 . 1 1 23 23 TRP H H 1 8.817 0.004 . 1 . . . . 15 TRP H . 16082 1 259 . 1 1 23 23 TRP HA H 1 4.724 0.003 . 1 . . . . 15 TRP HA . 16082 1 260 . 1 1 23 23 TRP HB2 H 1 3.038 0.007 . 2 . . . . 15 TRP HB2 . 16082 1 261 . 1 1 23 23 TRP HB3 H 1 3.254 0.005 . 2 . . . . 15 TRP HB3 . 16082 1 262 . 1 1 23 23 TRP HD1 H 1 7.534 0.005 . 1 . . . . 15 TRP HD1 . 16082 1 263 . 1 1 23 23 TRP HE1 H 1 10.300 0.006 . 1 . . . . 15 TRP HE1 . 16082 1 264 . 1 1 23 23 TRP HE3 H 1 7.208 0.004 . 1 . . . . 15 TRP HE3 . 16082 1 265 . 1 1 23 23 TRP HH2 H 1 6.802 0.006 . 1 . . . . 15 TRP HH2 . 16082 1 266 . 1 1 23 23 TRP HZ2 H 1 6.977 0.007 . 1 . . . . 15 TRP HZ2 . 16082 1 267 . 1 1 23 23 TRP HZ3 H 1 6.891 0.007 . 1 . . . . 15 TRP HZ3 . 16082 1 268 . 1 1 23 23 TRP C C 13 176.569 0.000 . 1 . . . . 15 TRP C . 16082 1 269 . 1 1 23 23 TRP CA C 13 56.897 0.027 . 1 . . . . 15 TRP CA . 16082 1 270 . 1 1 23 23 TRP CB C 13 29.825 0.060 . 1 . . . . 15 TRP CB . 16082 1 271 . 1 1 23 23 TRP CD1 C 13 126.782 0.022 . 1 . . . . 15 TRP CD1 . 16082 1 272 . 1 1 23 23 TRP CE3 C 13 118.319 0.008 . 1 . . . . 15 TRP CE3 . 16082 1 273 . 1 1 23 23 TRP CH2 C 13 121.487 0.054 . 1 . . . . 15 TRP CH2 . 16082 1 274 . 1 1 23 23 TRP CZ2 C 13 112.798 0.030 . 1 . . . . 15 TRP CZ2 . 16082 1 275 . 1 1 23 23 TRP N N 15 126.927 0.061 . 1 . . . . 15 TRP N . 16082 1 276 . 1 1 23 23 TRP NE1 N 15 130.657 0.071 . 1 . . . . 15 TRP NE1 . 16082 1 277 . 1 1 24 24 GLN H H 1 8.931 0.005 . 1 . . . . 16 GLN H . 16082 1 278 . 1 1 24 24 GLN HA H 1 5.186 0.005 . 1 . . . . 16 GLN HA . 16082 1 279 . 1 1 24 24 GLN HB2 H 1 1.742 0.004 . 2 . . . . 16 GLN HB2 . 16082 1 280 . 1 1 24 24 GLN HB3 H 1 2.208 0.005 . 2 . . . . 16 GLN HB3 . 16082 1 281 . 1 1 24 24 GLN HE21 H 1 6.991 0.006 . 1 . . . . 16 GLN HE21 . 16082 1 282 . 1 1 24 24 GLN HE22 H 1 7.766 0.004 . 1 . . . . 16 GLN HE22 . 16082 1 283 . 1 1 24 24 GLN HG2 H 1 2.241 0.007 . 2 . . . . 16 GLN HG2 . 16082 1 284 . 1 1 24 24 GLN HG3 H 1 2.324 0.003 . 2 . . . . 16 GLN HG3 . 16082 1 285 . 1 1 24 24 GLN CA C 13 52.369 0.074 . 1 . . . . 16 GLN CA . 16082 1 286 . 1 1 24 24 GLN CB C 13 31.536 0.052 . 1 . . . . 16 GLN CB . 16082 1 287 . 1 1 24 24 GLN CG C 13 33.359 0.069 . 1 . . . . 16 GLN CG . 16082 1 288 . 1 1 24 24 GLN N N 15 122.710 0.043 . 1 . . . . 16 GLN N . 16082 1 289 . 1 1 24 24 GLN NE2 N 15 113.474 0.224 . 1 . . . . 16 GLN NE2 . 16082 1 290 . 1 1 25 25 PRO HA H 1 4.206 0.005 . 1 . . . . 17 PRO HA . 16082 1 291 . 1 1 25 25 PRO HB2 H 1 1.573 0.006 . 2 . . . . 17 PRO HB2 . 16082 1 292 . 1 1 25 25 PRO HB3 H 1 1.886 0.004 . 2 . . . . 17 PRO HB3 . 16082 1 293 . 1 1 25 25 PRO HD2 H 1 3.909 0.004 . 2 . . . . 17 PRO HD2 . 16082 1 294 . 1 1 25 25 PRO HD3 H 1 4.007 0.004 . 2 . . . . 17 PRO HD3 . 16082 1 295 . 1 1 25 25 PRO HG2 H 1 2.164 0.003 . 2 . . . . 17 PRO HG2 . 16082 1 296 . 1 1 25 25 PRO HG3 H 1 2.363 0.002 . 2 . . . . 17 PRO HG3 . 16082 1 297 . 1 1 25 25 PRO C C 13 176.918 0.000 . 1 . . . . 17 PRO C . 16082 1 298 . 1 1 25 25 PRO CA C 13 62.894 0.081 . 1 . . . . 17 PRO CA . 16082 1 299 . 1 1 25 25 PRO CB C 13 31.444 0.050 . 1 . . . . 17 PRO CB . 16082 1 300 . 1 1 25 25 PRO CD C 13 50.499 0.085 . 1 . . . . 17 PRO CD . 16082 1 301 . 1 1 25 25 PRO CG C 13 26.996 0.071 . 1 . . . . 17 PRO CG . 16082 1 302 . 1 1 26 26 ARG H H 1 9.041 0.003 . 1 . . . . 18 ARG H . 16082 1 303 . 1 1 26 26 ARG HA H 1 4.857 0.007 . 1 . . . . 18 ARG HA . 16082 1 304 . 1 1 26 26 ARG HB2 H 1 1.853 0.008 . 1 . . . . 18 ARG HB2 . 16082 1 305 . 1 1 26 26 ARG HB3 H 1 1.858 0.005 . 1 . . . . 18 ARG HB3 . 16082 1 306 . 1 1 26 26 ARG HD2 H 1 3.075 0.006 . 2 . . . . 18 ARG HD2 . 16082 1 307 . 1 1 26 26 ARG HD3 H 1 3.688 0.002 . 2 . . . . 18 ARG HD3 . 16082 1 308 . 1 1 26 26 ARG HG2 H 1 1.371 0.000 . 2 . . . . 18 ARG HG2 . 16082 1 309 . 1 1 26 26 ARG HG3 H 1 1.681 0.000 . 2 . . . . 18 ARG HG3 . 16082 1 310 . 1 1 26 26 ARG C C 13 173.102 0.000 . 1 . . . . 18 ARG C . 16082 1 311 . 1 1 26 26 ARG CA C 13 53.273 0.046 . 1 . . . . 18 ARG CA . 16082 1 312 . 1 1 26 26 ARG CB C 13 34.254 0.041 . 1 . . . . 18 ARG CB . 16082 1 313 . 1 1 26 26 ARG CD C 13 43.637 0.073 . 1 . . . . 18 ARG CD . 16082 1 314 . 1 1 26 26 ARG CG C 13 28.080 0.042 . 1 . . . . 18 ARG CG . 16082 1 315 . 1 1 26 26 ARG N N 15 123.602 0.053 . 1 . . . . 18 ARG N . 16082 1 316 . 1 1 27 27 TRP H H 1 8.375 0.007 . 1 . . . . 19 TRP H . 16082 1 317 . 1 1 27 27 TRP HA H 1 5.077 0.004 . 1 . . . . 19 TRP HA . 16082 1 318 . 1 1 27 27 TRP HB2 H 1 2.899 0.005 . 1 . . . . 19 TRP HB2 . 16082 1 319 . 1 1 27 27 TRP HB3 H 1 2.899 0.005 . 1 . . . . 19 TRP HB3 . 16082 1 320 . 1 1 27 27 TRP HD1 H 1 6.535 0.003 . 1 . . . . 19 TRP HD1 . 16082 1 321 . 1 1 27 27 TRP HE1 H 1 10.284 0.004 . 1 . . . . 19 TRP HE1 . 16082 1 322 . 1 1 27 27 TRP HE3 H 1 7.555 0.007 . 1 . . . . 19 TRP HE3 . 16082 1 323 . 1 1 27 27 TRP HH2 H 1 7.196 0.012 . 1 . . . . 19 TRP HH2 . 16082 1 324 . 1 1 27 27 TRP HZ2 H 1 7.304 0.005 . 1 . . . . 19 TRP HZ2 . 16082 1 325 . 1 1 27 27 TRP HZ3 H 1 7.192 0.002 . 1 . . . . 19 TRP HZ3 . 16082 1 326 . 1 1 27 27 TRP C C 13 174.728 0.000 . 1 . . . . 19 TRP C . 16082 1 327 . 1 1 27 27 TRP CA C 13 56.157 0.109 . 1 . . . . 19 TRP CA . 16082 1 328 . 1 1 27 27 TRP CB C 13 31.116 0.079 . 1 . . . . 19 TRP CB . 16082 1 329 . 1 1 27 27 TRP CD1 C 13 124.088 0.041 . 1 . . . . 19 TRP CD1 . 16082 1 330 . 1 1 27 27 TRP CE3 C 13 118.786 0.033 . 1 . . . . 19 TRP CE3 . 16082 1 331 . 1 1 27 27 TRP CH2 C 13 123.023 0.000 . 1 . . . . 19 TRP CH2 . 16082 1 332 . 1 1 27 27 TRP CZ2 C 13 112.757 0.018 . 1 . . . . 19 TRP CZ2 . 16082 1 333 . 1 1 27 27 TRP CZ3 C 13 120.311 0.061 . 1 . . . . 19 TRP CZ3 . 16082 1 334 . 1 1 27 27 TRP N N 15 121.669 0.043 . 1 . . . . 19 TRP N . 16082 1 335 . 1 1 27 27 TRP NE1 N 15 129.025 0.064 . 1 . . . . 19 TRP NE1 . 16082 1 336 . 1 1 28 28 PHE H H 1 9.016 0.004 . 1 . . . . 20 PHE H . 16082 1 337 . 1 1 28 28 PHE HA H 1 5.385 0.006 . 1 . . . . 20 PHE HA . 16082 1 338 . 1 1 28 28 PHE HB2 H 1 2.501 0.003 . 2 . . . . 20 PHE HB2 . 16082 1 339 . 1 1 28 28 PHE HB3 H 1 2.726 0.006 . 2 . . . . 20 PHE HB3 . 16082 1 340 . 1 1 28 28 PHE HD1 H 1 6.997 0.006 . 3 . . . . 20 PHE HD1 . 16082 1 341 . 1 1 28 28 PHE HD2 H 1 6.997 0.006 . 3 . . . . 20 PHE HD2 . 16082 1 342 . 1 1 28 28 PHE HE1 H 1 6.849 0.002 . 3 . . . . 20 PHE HE1 . 16082 1 343 . 1 1 28 28 PHE HE2 H 1 6.849 0.002 . 3 . . . . 20 PHE HE2 . 16082 1 344 . 1 1 28 28 PHE HZ H 1 6.443 0.002 . 1 . . . . 20 PHE HZ . 16082 1 345 . 1 1 28 28 PHE C C 13 174.685 0.000 . 1 . . . . 20 PHE C . 16082 1 346 . 1 1 28 28 PHE CA C 13 56.699 0.086 . 1 . . . . 20 PHE CA . 16082 1 347 . 1 1 28 28 PHE CB C 13 43.155 0.086 . 1 . . . . 20 PHE CB . 16082 1 348 . 1 1 28 28 PHE CD1 C 13 130.651 0.071 . 3 . . . . 20 PHE CD1 . 16082 1 349 . 1 1 28 28 PHE CD2 C 13 130.651 0.071 . 3 . . . . 20 PHE CD2 . 16082 1 350 . 1 1 28 28 PHE CE1 C 13 129.364 0.029 . 3 . . . . 20 PHE CE1 . 16082 1 351 . 1 1 28 28 PHE CE2 C 13 129.364 0.029 . 3 . . . . 20 PHE CE2 . 16082 1 352 . 1 1 28 28 PHE CZ C 13 125.433 0.000 . 1 . . . . 20 PHE CZ . 16082 1 353 . 1 1 28 28 PHE N N 15 128.520 0.045 . 1 . . . . 20 PHE N . 16082 1 354 . 1 1 29 29 VAL H H 1 9.058 0.003 . 1 . . . . 21 VAL H . 16082 1 355 . 1 1 29 29 VAL HA H 1 4.681 0.004 . 1 . . . . 21 VAL HA . 16082 1 356 . 1 1 29 29 VAL HB H 1 2.255 0.003 . 1 . . . . 21 VAL HB . 16082 1 357 . 1 1 29 29 VAL HG11 H 1 1.056 0.004 . 2 . . . . 21 VAL HG11 . 16082 1 358 . 1 1 29 29 VAL HG12 H 1 1.056 0.004 . 2 . . . . 21 VAL HG12 . 16082 1 359 . 1 1 29 29 VAL HG13 H 1 1.056 0.004 . 2 . . . . 21 VAL HG13 . 16082 1 360 . 1 1 29 29 VAL HG21 H 1 1.187 0.007 . 2 . . . . 21 VAL HG21 . 16082 1 361 . 1 1 29 29 VAL HG22 H 1 1.187 0.007 . 2 . . . . 21 VAL HG22 . 16082 1 362 . 1 1 29 29 VAL HG23 H 1 1.187 0.007 . 2 . . . . 21 VAL HG23 . 16082 1 363 . 1 1 29 29 VAL C C 13 174.804 0.000 . 1 . . . . 21 VAL C . 16082 1 364 . 1 1 29 29 VAL CA C 13 61.719 0.048 . 1 . . . . 21 VAL CA . 16082 1 365 . 1 1 29 29 VAL CB C 13 36.416 0.067 . 1 . . . . 21 VAL CB . 16082 1 366 . 1 1 29 29 VAL CG1 C 13 22.083 0.103 . 1 . . . . 21 VAL CG1 . 16082 1 367 . 1 1 29 29 VAL CG2 C 13 22.142 0.100 . 1 . . . . 21 VAL CG2 . 16082 1 368 . 1 1 29 29 VAL N N 15 117.562 0.049 . 1 . . . . 21 VAL N . 16082 1 369 . 1 1 30 30 LEU H H 1 9.543 0.007 . 1 . . . . 22 LEU H . 16082 1 370 . 1 1 30 30 LEU HA H 1 5.311 0.007 . 1 . . . . 22 LEU HA . 16082 1 371 . 1 1 30 30 LEU HB2 H 1 1.363 0.006 . 2 . . . . 22 LEU HB2 . 16082 1 372 . 1 1 30 30 LEU HB3 H 1 1.919 0.004 . 2 . . . . 22 LEU HB3 . 16082 1 373 . 1 1 30 30 LEU HD11 H 1 0.845 0.001 . 1 . . . . 22 LEU HD11 . 16082 1 374 . 1 1 30 30 LEU HD12 H 1 0.845 0.001 . 1 . . . . 22 LEU HD12 . 16082 1 375 . 1 1 30 30 LEU HD13 H 1 0.845 0.001 . 1 . . . . 22 LEU HD13 . 16082 1 376 . 1 1 30 30 LEU HD21 H 1 0.845 0.001 . 1 . . . . 22 LEU HD21 . 16082 1 377 . 1 1 30 30 LEU HD22 H 1 0.845 0.001 . 1 . . . . 22 LEU HD22 . 16082 1 378 . 1 1 30 30 LEU HD23 H 1 0.845 0.001 . 1 . . . . 22 LEU HD23 . 16082 1 379 . 1 1 30 30 LEU HG H 1 0.791 0.004 . 1 . . . . 22 LEU HG . 16082 1 380 . 1 1 30 30 LEU C C 13 173.506 0.000 . 1 . . . . 22 LEU C . 16082 1 381 . 1 1 30 30 LEU CA C 13 53.213 0.077 . 1 . . . . 22 LEU CA . 16082 1 382 . 1 1 30 30 LEU CB C 13 44.939 0.072 . 1 . . . . 22 LEU CB . 16082 1 383 . 1 1 30 30 LEU CD1 C 13 22.041 0.065 . 1 . . . . 22 LEU CD1 . 16082 1 384 . 1 1 30 30 LEU CD2 C 13 22.041 0.065 . 1 . . . . 22 LEU CD2 . 16082 1 385 . 1 1 30 30 LEU CG C 13 27.013 0.055 . 1 . . . . 22 LEU CG . 16082 1 386 . 1 1 30 30 LEU N N 15 131.939 0.046 . 1 . . . . 22 LEU N . 16082 1 387 . 1 1 31 31 ASP H H 1 8.513 0.006 . 1 . . . . 23 ASP H . 16082 1 388 . 1 1 31 31 ASP HA H 1 5.151 0.007 . 1 . . . . 23 ASP HA . 16082 1 389 . 1 1 31 31 ASP HB2 H 1 2.811 0.009 . 2 . . . . 23 ASP HB2 . 16082 1 390 . 1 1 31 31 ASP HB3 H 1 2.867 0.007 . 2 . . . . 23 ASP HB3 . 16082 1 391 . 1 1 31 31 ASP C C 13 176.940 0.000 . 1 . . . . 23 ASP C . 16082 1 392 . 1 1 31 31 ASP CA C 13 53.671 0.050 . 1 . . . . 23 ASP CA . 16082 1 393 . 1 1 31 31 ASP CB C 13 43.770 0.033 . 1 . . . . 23 ASP CB . 16082 1 394 . 1 1 31 31 ASP N N 15 121.978 0.084 . 1 . . . . 23 ASP N . 16082 1 395 . 1 1 32 32 ASN H H 1 9.280 0.005 . 1 . . . . 24 ASN H . 16082 1 396 . 1 1 32 32 ASN HA H 1 4.421 0.002 . 1 . . . . 24 ASN HA . 16082 1 397 . 1 1 32 32 ASN HB2 H 1 2.658 0.002 . 2 . . . . 24 ASN HB2 . 16082 1 398 . 1 1 32 32 ASN HB3 H 1 3.155 0.004 . 2 . . . . 24 ASN HB3 . 16082 1 399 . 1 1 32 32 ASN HD21 H 1 6.814 0.002 . 1 . . . . 24 ASN HD21 . 16082 1 400 . 1 1 32 32 ASN HD22 H 1 7.672 0.002 . 1 . . . . 24 ASN HD22 . 16082 1 401 . 1 1 32 32 ASN C C 13 175.044 0.000 . 1 . . . . 24 ASN C . 16082 1 402 . 1 1 32 32 ASN CA C 13 54.362 0.051 . 1 . . . . 24 ASN CA . 16082 1 403 . 1 1 32 32 ASN CB C 13 37.804 0.050 . 1 . . . . 24 ASN CB . 16082 1 404 . 1 1 32 32 ASN N N 15 125.653 0.051 . 1 . . . . 24 ASN N . 16082 1 405 . 1 1 32 32 ASN ND2 N 15 112.685 0.174 . 1 . . . . 24 ASN ND2 . 16082 1 406 . 1 1 33 33 GLY H H 1 8.997 0.006 . 1 . . . . 25 GLY H . 16082 1 407 . 1 1 33 33 GLY HA2 H 1 3.581 0.004 . 2 . . . . 25 GLY HA2 . 16082 1 408 . 1 1 33 33 GLY HA3 H 1 4.154 0.006 . 2 . . . . 25 GLY HA3 . 16082 1 409 . 1 1 33 33 GLY C C 13 173.215 0.000 . 1 . . . . 25 GLY C . 16082 1 410 . 1 1 33 33 GLY CA C 13 45.930 0.069 . 1 . . . . 25 GLY CA . 16082 1 411 . 1 1 33 33 GLY N N 15 102.623 0.033 . 1 . . . . 25 GLY N . 16082 1 412 . 1 1 34 34 ILE H H 1 7.955 0.005 . 1 . . . . 26 ILE H . 16082 1 413 . 1 1 34 34 ILE HA H 1 4.771 0.007 . 1 . . . . 26 ILE HA . 16082 1 414 . 1 1 34 34 ILE HB H 1 2.124 0.003 . 1 . . . . 26 ILE HB . 16082 1 415 . 1 1 34 34 ILE HD11 H 1 0.884 0.003 . 1 . . . . 26 ILE HD11 . 16082 1 416 . 1 1 34 34 ILE HD12 H 1 0.884 0.003 . 1 . . . . 26 ILE HD12 . 16082 1 417 . 1 1 34 34 ILE HD13 H 1 0.884 0.003 . 1 . . . . 26 ILE HD13 . 16082 1 418 . 1 1 34 34 ILE HG12 H 1 1.253 0.003 . 2 . . . . 26 ILE HG12 . 16082 1 419 . 1 1 34 34 ILE HG13 H 1 1.562 0.002 . 2 . . . . 26 ILE HG13 . 16082 1 420 . 1 1 34 34 ILE HG21 H 1 0.824 0.002 . 1 . . . . 26 ILE HG21 . 16082 1 421 . 1 1 34 34 ILE HG22 H 1 0.824 0.002 . 1 . . . . 26 ILE HG22 . 16082 1 422 . 1 1 34 34 ILE HG23 H 1 0.824 0.002 . 1 . . . . 26 ILE HG23 . 16082 1 423 . 1 1 34 34 ILE C C 13 174.753 0.000 . 1 . . . . 26 ILE C . 16082 1 424 . 1 1 34 34 ILE CA C 13 59.201 0.051 . 1 . . . . 26 ILE CA . 16082 1 425 . 1 1 34 34 ILE CB C 13 39.393 0.064 . 1 . . . . 26 ILE CB . 16082 1 426 . 1 1 34 34 ILE CD1 C 13 11.704 0.063 . 1 . . . . 26 ILE CD1 . 16082 1 427 . 1 1 34 34 ILE CG1 C 13 27.019 0.070 . 1 . . . . 26 ILE CG1 . 16082 1 428 . 1 1 34 34 ILE CG2 C 13 17.485 0.070 . 1 . . . . 26 ILE CG2 . 16082 1 429 . 1 1 34 34 ILE N N 15 122.350 0.049 . 1 . . . . 26 ILE N . 16082 1 430 . 1 1 35 35 LEU H H 1 9.274 0.009 . 1 . . . . 27 LEU H . 16082 1 431 . 1 1 35 35 LEU HA H 1 5.441 0.006 . 1 . . . . 27 LEU HA . 16082 1 432 . 1 1 35 35 LEU HB2 H 1 1.296 0.007 . 2 . . . . 27 LEU HB2 . 16082 1 433 . 1 1 35 35 LEU HB3 H 1 2.110 0.003 . 2 . . . . 27 LEU HB3 . 16082 1 434 . 1 1 35 35 LEU HD11 H 1 0.769 0.003 . 2 . . . . 27 LEU HD11 . 16082 1 435 . 1 1 35 35 LEU HD12 H 1 0.769 0.003 . 2 . . . . 27 LEU HD12 . 16082 1 436 . 1 1 35 35 LEU HD13 H 1 0.769 0.003 . 2 . . . . 27 LEU HD13 . 16082 1 437 . 1 1 35 35 LEU HD21 H 1 1.140 0.007 . 2 . . . . 27 LEU HD21 . 16082 1 438 . 1 1 35 35 LEU HD22 H 1 1.140 0.007 . 2 . . . . 27 LEU HD22 . 16082 1 439 . 1 1 35 35 LEU HD23 H 1 1.140 0.007 . 2 . . . . 27 LEU HD23 . 16082 1 440 . 1 1 35 35 LEU HG H 1 1.551 0.003 . 1 . . . . 27 LEU HG . 16082 1 441 . 1 1 35 35 LEU C C 13 175.131 0.000 . 1 . . . . 27 LEU C . 16082 1 442 . 1 1 35 35 LEU CA C 13 53.160 0.079 . 1 . . . . 27 LEU CA . 16082 1 443 . 1 1 35 35 LEU CB C 13 44.532 0.073 . 1 . . . . 27 LEU CB . 16082 1 444 . 1 1 35 35 LEU CD1 C 13 26.081 0.066 . 2 . . . . 27 LEU CD1 . 16082 1 445 . 1 1 35 35 LEU CD2 C 13 24.917 0.064 . 2 . . . . 27 LEU CD2 . 16082 1 446 . 1 1 35 35 LEU CG C 13 27.632 0.034 . 1 . . . . 27 LEU CG . 16082 1 447 . 1 1 35 35 LEU N N 15 132.013 0.049 . 1 . . . . 27 LEU N . 16082 1 448 . 1 1 36 36 SER H H 1 9.668 0.004 . 1 . . . . 28 SER H . 16082 1 449 . 1 1 36 36 SER HA H 1 5.379 0.004 . 1 . . . . 28 SER HA . 16082 1 450 . 1 1 36 36 SER HB2 H 1 3.606 0.005 . 2 . . . . 28 SER HB2 . 16082 1 451 . 1 1 36 36 SER HB3 H 1 3.831 0.004 . 2 . . . . 28 SER HB3 . 16082 1 452 . 1 1 36 36 SER C C 13 171.968 0.000 . 1 . . . . 28 SER C . 16082 1 453 . 1 1 36 36 SER CA C 13 57.345 0.067 . 1 . . . . 28 SER CA . 16082 1 454 . 1 1 36 36 SER CB C 13 66.044 0.076 . 1 . . . . 28 SER CB . 16082 1 455 . 1 1 36 36 SER N N 15 123.682 0.042 . 1 . . . . 28 SER N . 16082 1 456 . 1 1 37 37 TYR H H 1 7.452 0.007 . 1 . . . . 29 TYR H . 16082 1 457 . 1 1 37 37 TYR HA H 1 5.658 0.006 . 1 . . . . 29 TYR HA . 16082 1 458 . 1 1 37 37 TYR HB2 H 1 1.465 0.005 . 2 . . . . 29 TYR HB2 . 16082 1 459 . 1 1 37 37 TYR HB3 H 1 1.722 0.007 . 2 . . . . 29 TYR HB3 . 16082 1 460 . 1 1 37 37 TYR HD1 H 1 6.397 0.006 . 3 . . . . 29 TYR HD1 . 16082 1 461 . 1 1 37 37 TYR HD2 H 1 6.397 0.006 . 3 . . . . 29 TYR HD2 . 16082 1 462 . 1 1 37 37 TYR HE1 H 1 6.571 0.009 . 3 . . . . 29 TYR HE1 . 16082 1 463 . 1 1 37 37 TYR HE2 H 1 6.571 0.009 . 3 . . . . 29 TYR HE2 . 16082 1 464 . 1 1 37 37 TYR C C 13 172.731 0.000 . 1 . . . . 29 TYR C . 16082 1 465 . 1 1 37 37 TYR CA C 13 54.632 0.077 . 1 . . . . 29 TYR CA . 16082 1 466 . 1 1 37 37 TYR CB C 13 39.599 0.068 . 1 . . . . 29 TYR CB . 16082 1 467 . 1 1 37 37 TYR CD1 C 13 131.225 0.037 . 3 . . . . 29 TYR CD1 . 16082 1 468 . 1 1 37 37 TYR CD2 C 13 131.225 0.037 . 3 . . . . 29 TYR CD2 . 16082 1 469 . 1 1 37 37 TYR CE1 C 13 115.784 0.000 . 3 . . . . 29 TYR CE1 . 16082 1 470 . 1 1 37 37 TYR CE2 C 13 115.784 0.000 . 3 . . . . 29 TYR CE2 . 16082 1 471 . 1 1 37 37 TYR N N 15 115.554 0.028 . 1 . . . . 29 TYR N . 16082 1 472 . 1 1 38 38 TYR H H 1 9.116 0.005 . 1 . . . . 30 TYR H . 16082 1 473 . 1 1 38 38 TYR HA H 1 4.626 0.006 . 1 . . . . 30 TYR HA . 16082 1 474 . 1 1 38 38 TYR HB2 H 1 2.825 0.002 . 2 . . . . 30 TYR HB2 . 16082 1 475 . 1 1 38 38 TYR HB3 H 1 3.252 0.010 . 2 . . . . 30 TYR HB3 . 16082 1 476 . 1 1 38 38 TYR HD1 H 1 7.230 0.001 . 3 . . . . 30 TYR HD1 . 16082 1 477 . 1 1 38 38 TYR HD2 H 1 7.230 0.001 . 3 . . . . 30 TYR HD2 . 16082 1 478 . 1 1 38 38 TYR HE1 H 1 6.723 0.006 . 3 . . . . 30 TYR HE1 . 16082 1 479 . 1 1 38 38 TYR HE2 H 1 6.723 0.006 . 3 . . . . 30 TYR HE2 . 16082 1 480 . 1 1 38 38 TYR C C 13 175.771 0.000 . 1 . . . . 30 TYR C . 16082 1 481 . 1 1 38 38 TYR CA C 13 56.194 0.074 . 1 . . . . 30 TYR CA . 16082 1 482 . 1 1 38 38 TYR CB C 13 43.253 0.086 . 1 . . . . 30 TYR CB . 16082 1 483 . 1 1 38 38 TYR CD1 C 13 132.761 0.052 . 3 . . . . 30 TYR CD1 . 16082 1 484 . 1 1 38 38 TYR CD2 C 13 132.761 0.052 . 3 . . . . 30 TYR CD2 . 16082 1 485 . 1 1 38 38 TYR CE1 C 13 116.704 0.030 . 3 . . . . 30 TYR CE1 . 16082 1 486 . 1 1 38 38 TYR CE2 C 13 116.704 0.030 . 3 . . . . 30 TYR CE2 . 16082 1 487 . 1 1 38 38 TYR N N 15 117.937 0.038 . 1 . . . . 30 TYR N . 16082 1 488 . 1 1 39 39 ASP H H 1 9.474 0.010 . 1 . . . . 31 ASP H . 16082 1 489 . 1 1 39 39 ASP HA H 1 4.624 0.002 . 1 . . . . 31 ASP HA . 16082 1 490 . 1 1 39 39 ASP HB2 H 1 2.751 0.002 . 1 . . . . 31 ASP HB2 . 16082 1 491 . 1 1 39 39 ASP HB3 H 1 2.751 0.002 . 1 . . . . 31 ASP HB3 . 16082 1 492 . 1 1 39 39 ASP C C 13 176.264 0.000 . 1 . . . . 31 ASP C . 16082 1 493 . 1 1 39 39 ASP CA C 13 58.144 0.081 . 1 . . . . 31 ASP CA . 16082 1 494 . 1 1 39 39 ASP CB C 13 40.399 0.019 . 1 . . . . 31 ASP CB . 16082 1 495 . 1 1 39 39 ASP N N 15 121.988 0.038 . 1 . . . . 31 ASP N . 16082 1 496 . 1 1 40 40 SER H H 1 7.511 0.008 . 1 . . . . 32 SER H . 16082 1 497 . 1 1 40 40 SER HA H 1 4.567 0.006 . 1 . . . . 32 SER HA . 16082 1 498 . 1 1 40 40 SER HB2 H 1 3.925 0.009 . 2 . . . . 32 SER HB2 . 16082 1 499 . 1 1 40 40 SER HB3 H 1 3.998 0.003 . 2 . . . . 32 SER HB3 . 16082 1 500 . 1 1 40 40 SER C C 13 173.752 0.000 . 1 . . . . 32 SER C . 16082 1 501 . 1 1 40 40 SER CA C 13 57.211 0.125 . 1 . . . . 32 SER CA . 16082 1 502 . 1 1 40 40 SER CB C 13 65.547 0.055 . 1 . . . . 32 SER CB . 16082 1 503 . 1 1 40 40 SER N N 15 107.441 0.034 . 1 . . . . 32 SER N . 16082 1 504 . 1 1 41 41 GLN H H 1 8.828 0.003 . 1 . . . . 33 GLN H . 16082 1 505 . 1 1 41 41 GLN HA H 1 2.511 0.006 . 1 . . . . 33 GLN HA . 16082 1 506 . 1 1 41 41 GLN HB2 H 1 0.241 0.013 . 2 . . . . 33 GLN HB2 . 16082 1 507 . 1 1 41 41 GLN HB3 H 1 0.944 0.003 . 2 . . . . 33 GLN HB3 . 16082 1 508 . 1 1 41 41 GLN HE21 H 1 6.533 0.002 . 1 . . . . 33 GLN HE21 . 16082 1 509 . 1 1 41 41 GLN HE22 H 1 7.142 0.007 . 1 . . . . 33 GLN HE22 . 16082 1 510 . 1 1 41 41 GLN HG2 H 1 1.151 0.003 . 2 . . . . 33 GLN HG2 . 16082 1 511 . 1 1 41 41 GLN HG3 H 1 1.584 0.004 . 2 . . . . 33 GLN HG3 . 16082 1 512 . 1 1 41 41 GLN C C 13 177.001 0.000 . 1 . . . . 33 GLN C . 16082 1 513 . 1 1 41 41 GLN CA C 13 58.261 0.060 . 1 . . . . 33 GLN CA . 16082 1 514 . 1 1 41 41 GLN CB C 13 27.168 0.076 . 1 . . . . 33 GLN CB . 16082 1 515 . 1 1 41 41 GLN CG C 13 32.636 0.080 . 1 . . . . 33 GLN CG . 16082 1 516 . 1 1 41 41 GLN N N 15 123.170 0.029 . 1 . . . . 33 GLN N . 16082 1 517 . 1 1 41 41 GLN NE2 N 15 111.092 0.019 . 1 . . . . 33 GLN NE2 . 16082 1 518 . 1 1 42 42 ASP H H 1 7.774 0.003 . 1 . . . . 34 ASP H . 16082 1 519 . 1 1 42 42 ASP HA H 1 4.289 0.006 . 1 . . . . 34 ASP HA . 16082 1 520 . 1 1 42 42 ASP HB2 H 1 2.350 0.003 . 2 . . . . 34 ASP HB2 . 16082 1 521 . 1 1 42 42 ASP HB3 H 1 2.603 0.004 . 2 . . . . 34 ASP HB3 . 16082 1 522 . 1 1 42 42 ASP C C 13 176.567 0.000 . 1 . . . . 34 ASP C . 16082 1 523 . 1 1 42 42 ASP CA C 13 55.710 0.077 . 1 . . . . 34 ASP CA . 16082 1 524 . 1 1 42 42 ASP CB C 13 40.459 0.053 . 1 . . . . 34 ASP CB . 16082 1 525 . 1 1 42 42 ASP N N 15 116.558 0.041 . 1 . . . . 34 ASP N . 16082 1 526 . 1 1 43 43 ASP H H 1 7.388 0.003 . 1 . . . . 35 ASP H . 16082 1 527 . 1 1 43 43 ASP HA H 1 4.755 0.005 . 1 . . . . 35 ASP HA . 16082 1 528 . 1 1 43 43 ASP HB2 H 1 2.690 0.004 . 2 . . . . 35 ASP HB2 . 16082 1 529 . 1 1 43 43 ASP HB3 H 1 3.245 0.003 . 2 . . . . 35 ASP HB3 . 16082 1 530 . 1 1 43 43 ASP C C 13 177.129 0.000 . 1 . . . . 35 ASP C . 16082 1 531 . 1 1 43 43 ASP CA C 13 54.563 0.027 . 1 . . . . 35 ASP CA . 16082 1 532 . 1 1 43 43 ASP CB C 13 42.434 0.035 . 1 . . . . 35 ASP CB . 16082 1 533 . 1 1 43 43 ASP N N 15 117.173 0.039 . 1 . . . . 35 ASP N . 16082 1 534 . 1 1 44 44 VAL H H 1 7.063 0.004 . 1 . . . . 36 VAL H . 16082 1 535 . 1 1 44 44 VAL HA H 1 3.372 0.004 . 1 . . . . 36 VAL HA . 16082 1 536 . 1 1 44 44 VAL HB H 1 1.818 0.002 . 1 . . . . 36 VAL HB . 16082 1 537 . 1 1 44 44 VAL HG11 H 1 0.493 0.002 . 2 . . . . 36 VAL HG11 . 16082 1 538 . 1 1 44 44 VAL HG12 H 1 0.493 0.002 . 2 . . . . 36 VAL HG12 . 16082 1 539 . 1 1 44 44 VAL HG13 H 1 0.493 0.002 . 2 . . . . 36 VAL HG13 . 16082 1 540 . 1 1 44 44 VAL HG21 H 1 0.644 0.002 . 2 . . . . 36 VAL HG21 . 16082 1 541 . 1 1 44 44 VAL HG22 H 1 0.644 0.002 . 2 . . . . 36 VAL HG22 . 16082 1 542 . 1 1 44 44 VAL HG23 H 1 0.644 0.002 . 2 . . . . 36 VAL HG23 . 16082 1 543 . 1 1 44 44 VAL C C 13 178.169 0.000 . 1 . . . . 36 VAL C . 16082 1 544 . 1 1 44 44 VAL CA C 13 65.325 0.074 . 1 . . . . 36 VAL CA . 16082 1 545 . 1 1 44 44 VAL CB C 13 31.179 0.043 . 1 . . . . 36 VAL CB . 16082 1 546 . 1 1 44 44 VAL CG1 C 13 21.899 0.042 . 2 . . . . 36 VAL CG1 . 16082 1 547 . 1 1 44 44 VAL CG2 C 13 20.639 0.058 . 2 . . . . 36 VAL CG2 . 16082 1 548 . 1 1 44 44 VAL N N 15 121.695 0.032 . 1 . . . . 36 VAL N . 16082 1 549 . 1 1 45 45 CYS H H 1 8.133 0.006 . 1 . . . . 37 CYS H . 16082 1 550 . 1 1 45 45 CYS HA H 1 4.425 0.006 . 1 . . . . 37 CYS HA . 16082 1 551 . 1 1 45 45 CYS HB2 H 1 3.013 0.006 . 1 . . . . 37 CYS HB2 . 16082 1 552 . 1 1 45 45 CYS HB3 H 1 3.013 0.006 . 1 . . . . 37 CYS HB3 . 16082 1 553 . 1 1 45 45 CYS C C 13 175.083 0.000 . 1 . . . . 37 CYS C . 16082 1 554 . 1 1 45 45 CYS CA C 13 59.202 0.061 . 1 . . . . 37 CYS CA . 16082 1 555 . 1 1 45 45 CYS CB C 13 27.101 0.073 . 1 . . . . 37 CYS CB . 16082 1 556 . 1 1 45 45 CYS N N 15 115.191 0.034 . 1 . . . . 37 CYS N . 16082 1 557 . 1 1 46 46 LYS H H 1 7.844 0.004 . 1 . . . . 38 LYS H . 16082 1 558 . 1 1 46 46 LYS HA H 1 4.428 0.003 . 1 . . . . 38 LYS HA . 16082 1 559 . 1 1 46 46 LYS HB2 H 1 2.078 0.006 . 1 . . . . 38 LYS HB2 . 16082 1 560 . 1 1 46 46 LYS HB3 H 1 2.078 0.006 . 1 . . . . 38 LYS HB3 . 16082 1 561 . 1 1 46 46 LYS HD2 H 1 1.683 0.003 . 2 . . . . 38 LYS HD2 . 16082 1 562 . 1 1 46 46 LYS HD3 H 1 1.748 0.003 . 2 . . . . 38 LYS HD3 . 16082 1 563 . 1 1 46 46 LYS HE2 H 1 3.001 0.003 . 1 . . . . 38 LYS HE2 . 16082 1 564 . 1 1 46 46 LYS HE3 H 1 3.001 0.003 . 1 . . . . 38 LYS HE3 . 16082 1 565 . 1 1 46 46 LYS HG2 H 1 1.452 0.003 . 2 . . . . 38 LYS HG2 . 16082 1 566 . 1 1 46 46 LYS HG3 H 1 1.570 0.002 . 2 . . . . 38 LYS HG3 . 16082 1 567 . 1 1 46 46 LYS C C 13 177.049 0.000 . 1 . . . . 38 LYS C . 16082 1 568 . 1 1 46 46 LYS CA C 13 56.787 0.066 . 1 . . . . 38 LYS CA . 16082 1 569 . 1 1 46 46 LYS CB C 13 33.119 0.046 . 1 . . . . 38 LYS CB . 16082 1 570 . 1 1 46 46 LYS CD C 13 29.245 0.026 . 1 . . . . 38 LYS CD . 16082 1 571 . 1 1 46 46 LYS CE C 13 42.339 0.078 . 1 . . . . 38 LYS CE . 16082 1 572 . 1 1 46 46 LYS CG C 13 25.653 0.078 . 1 . . . . 38 LYS CG . 16082 1 573 . 1 1 46 46 LYS N N 15 121.496 0.071 . 1 . . . . 38 LYS N . 16082 1 574 . 1 1 47 47 GLY H H 1 7.759 0.004 . 1 . . . . 39 GLY H . 16082 1 575 . 1 1 47 47 GLY HA2 H 1 4.022 0.003 . 2 . . . . 39 GLY HA2 . 16082 1 576 . 1 1 47 47 GLY HA3 H 1 4.542 0.003 . 2 . . . . 39 GLY HA3 . 16082 1 577 . 1 1 47 47 GLY C C 13 173.037 0.000 . 1 . . . . 39 GLY C . 16082 1 578 . 1 1 47 47 GLY CA C 13 44.261 0.059 . 1 . . . . 39 GLY CA . 16082 1 579 . 1 1 47 47 GLY N N 15 107.270 0.043 . 1 . . . . 39 GLY N . 16082 1 580 . 1 1 48 48 SER H H 1 8.478 0.004 . 1 . . . . 40 SER H . 16082 1 581 . 1 1 48 48 SER HA H 1 3.783 0.007 . 1 . . . . 40 SER HA . 16082 1 582 . 1 1 48 48 SER HB2 H 1 3.434 0.002 . 2 . . . . 40 SER HB2 . 16082 1 583 . 1 1 48 48 SER HB3 H 1 3.621 0.004 . 2 . . . . 40 SER HB3 . 16082 1 584 . 1 1 48 48 SER C C 13 175.221 0.000 . 1 . . . . 40 SER C . 16082 1 585 . 1 1 48 48 SER CA C 13 57.947 0.059 . 1 . . . . 40 SER CA . 16082 1 586 . 1 1 48 48 SER CB C 13 63.811 0.068 . 1 . . . . 40 SER CB . 16082 1 587 . 1 1 48 48 SER N N 15 116.121 0.042 . 1 . . . . 40 SER N . 16082 1 588 . 1 1 49 49 LYS H H 1 8.394 0.004 . 1 . . . . 41 LYS H . 16082 1 589 . 1 1 49 49 LYS HA H 1 4.188 0.006 . 1 . . . . 41 LYS HA . 16082 1 590 . 1 1 49 49 LYS HB2 H 1 1.170 0.005 . 2 . . . . 41 LYS HB2 . 16082 1 591 . 1 1 49 49 LYS HB3 H 1 1.637 0.003 . 2 . . . . 41 LYS HB3 . 16082 1 592 . 1 1 49 49 LYS HD2 H 1 1.381 0.003 . 2 . . . . 41 LYS HD2 . 16082 1 593 . 1 1 49 49 LYS HD3 H 1 1.503 0.004 . 2 . . . . 41 LYS HD3 . 16082 1 594 . 1 1 49 49 LYS HE2 H 1 3.045 0.001 . 1 . . . . 41 LYS HE2 . 16082 1 595 . 1 1 49 49 LYS HE3 H 1 3.044 0.002 . 1 . . . . 41 LYS HE3 . 16082 1 596 . 1 1 49 49 LYS HG2 H 1 1.636 0.004 . 1 . . . . 41 LYS HG2 . 16082 1 597 . 1 1 49 49 LYS HG3 H 1 1.636 0.004 . 1 . . . . 41 LYS HG3 . 16082 1 598 . 1 1 49 49 LYS C C 13 176.470 0.000 . 1 . . . . 41 LYS C . 16082 1 599 . 1 1 49 49 LYS CA C 13 55.331 0.057 . 1 . . . . 41 LYS CA . 16082 1 600 . 1 1 49 49 LYS CB C 13 32.293 0.072 . 1 . . . . 41 LYS CB . 16082 1 601 . 1 1 49 49 LYS CD C 13 28.160 0.040 . 1 . . . . 41 LYS CD . 16082 1 602 . 1 1 49 49 LYS CE C 13 41.923 0.040 . 1 . . . . 41 LYS CE . 16082 1 603 . 1 1 49 49 LYS CG C 13 24.301 0.068 . 1 . . . . 41 LYS CG . 16082 1 604 . 1 1 49 49 LYS N N 15 120.990 0.061 . 1 . . . . 41 LYS N . 16082 1 605 . 1 1 50 50 GLY H H 1 6.747 0.008 . 1 . . . . 42 GLY H . 16082 1 606 . 1 1 50 50 GLY HA2 H 1 3.531 0.012 . 2 . . . . 42 GLY HA2 . 16082 1 607 . 1 1 50 50 GLY HA3 H 1 3.884 0.004 . 2 . . . . 42 GLY HA3 . 16082 1 608 . 1 1 50 50 GLY C C 13 170.967 0.000 . 1 . . . . 42 GLY C . 16082 1 609 . 1 1 50 50 GLY CA C 13 45.060 0.060 . 1 . . . . 42 GLY CA . 16082 1 610 . 1 1 50 50 GLY N N 15 106.048 0.078 . 1 . . . . 42 GLY N . 16082 1 611 . 1 1 51 51 SER H H 1 8.158 0.010 . 1 . . . . 43 SER H . 16082 1 612 . 1 1 51 51 SER HA H 1 5.343 0.003 . 1 . . . . 43 SER HA . 16082 1 613 . 1 1 51 51 SER HB2 H 1 3.515 0.003 . 2 . . . . 43 SER HB2 . 16082 1 614 . 1 1 51 51 SER HB3 H 1 3.716 0.004 . 2 . . . . 43 SER HB3 . 16082 1 615 . 1 1 51 51 SER C C 13 172.787 0.000 . 1 . . . . 43 SER C . 16082 1 616 . 1 1 51 51 SER CA C 13 57.639 0.058 . 1 . . . . 43 SER CA . 16082 1 617 . 1 1 51 51 SER CB C 13 65.897 0.083 . 1 . . . . 43 SER CB . 16082 1 618 . 1 1 51 51 SER N N 15 113.080 0.023 . 1 . . . . 43 SER N . 16082 1 619 . 1 1 52 52 ILE H H 1 9.306 0.004 . 1 . . . . 44 ILE H . 16082 1 620 . 1 1 52 52 ILE HA H 1 4.203 0.003 . 1 . . . . 44 ILE HA . 16082 1 621 . 1 1 52 52 ILE HB H 1 1.653 0.003 . 1 . . . . 44 ILE HB . 16082 1 622 . 1 1 52 52 ILE HD11 H 1 0.253 0.003 . 1 . . . . 44 ILE HD11 . 16082 1 623 . 1 1 52 52 ILE HD12 H 1 0.253 0.003 . 1 . . . . 44 ILE HD12 . 16082 1 624 . 1 1 52 52 ILE HD13 H 1 0.253 0.003 . 1 . . . . 44 ILE HD13 . 16082 1 625 . 1 1 52 52 ILE HG12 H 1 0.776 0.004 . 2 . . . . 44 ILE HG12 . 16082 1 626 . 1 1 52 52 ILE HG13 H 1 1.250 0.003 . 2 . . . . 44 ILE HG13 . 16082 1 627 . 1 1 52 52 ILE HG21 H 1 0.705 0.001 . 1 . . . . 44 ILE HG21 . 16082 1 628 . 1 1 52 52 ILE HG22 H 1 0.705 0.001 . 1 . . . . 44 ILE HG22 . 16082 1 629 . 1 1 52 52 ILE HG23 H 1 0.705 0.001 . 1 . . . . 44 ILE HG23 . 16082 1 630 . 1 1 52 52 ILE C C 13 174.340 0.000 . 1 . . . . 44 ILE C . 16082 1 631 . 1 1 52 52 ILE CA C 13 60.326 0.073 . 1 . . . . 44 ILE CA . 16082 1 632 . 1 1 52 52 ILE CB C 13 42.302 0.085 . 1 . . . . 44 ILE CB . 16082 1 633 . 1 1 52 52 ILE CD1 C 13 13.668 0.045 . 1 . . . . 44 ILE CD1 . 16082 1 634 . 1 1 52 52 ILE CG1 C 13 27.781 0.073 . 1 . . . . 44 ILE CG1 . 16082 1 635 . 1 1 52 52 ILE CG2 C 13 18.605 0.067 . 1 . . . . 44 ILE CG2 . 16082 1 636 . 1 1 52 52 ILE N N 15 123.385 0.041 . 1 . . . . 44 ILE N . 16082 1 637 . 1 1 53 53 LYS H H 1 8.495 0.009 . 1 . . . . 45 LYS H . 16082 1 638 . 1 1 53 53 LYS HA H 1 4.444 0.004 . 1 . . . . 45 LYS HA . 16082 1 639 . 1 1 53 53 LYS HB2 H 1 1.800 0.008 . 2 . . . . 45 LYS HB2 . 16082 1 640 . 1 1 53 53 LYS HB3 H 1 1.973 0.005 . 2 . . . . 45 LYS HB3 . 16082 1 641 . 1 1 53 53 LYS HD2 H 1 1.734 0.004 . 1 . . . . 45 LYS HD2 . 16082 1 642 . 1 1 53 53 LYS HD3 H 1 1.733 0.004 . 1 . . . . 45 LYS HD3 . 16082 1 643 . 1 1 53 53 LYS HE2 H 1 2.992 0.003 . 1 . . . . 45 LYS HE2 . 16082 1 644 . 1 1 53 53 LYS HE3 H 1 2.992 0.003 . 1 . . . . 45 LYS HE3 . 16082 1 645 . 1 1 53 53 LYS HG2 H 1 1.376 0.003 . 2 . . . . 45 LYS HG2 . 16082 1 646 . 1 1 53 53 LYS HG3 H 1 1.573 0.005 . 2 . . . . 45 LYS HG3 . 16082 1 647 . 1 1 53 53 LYS C C 13 176.283 0.000 . 1 . . . . 45 LYS C . 16082 1 648 . 1 1 53 53 LYS CA C 13 56.255 0.085 . 1 . . . . 45 LYS CA . 16082 1 649 . 1 1 53 53 LYS CB C 13 32.258 0.059 . 1 . . . . 45 LYS CB . 16082 1 650 . 1 1 53 53 LYS CD C 13 29.588 0.062 . 1 . . . . 45 LYS CD . 16082 1 651 . 1 1 53 53 LYS CE C 13 42.175 0.050 . 1 . . . . 45 LYS CE . 16082 1 652 . 1 1 53 53 LYS CG C 13 25.523 0.080 . 1 . . . . 45 LYS CG . 16082 1 653 . 1 1 53 53 LYS N N 15 127.498 0.066 . 1 . . . . 45 LYS N . 16082 1 654 . 1 1 54 54 MET H H 1 8.190 0.005 . 1 . . . . 46 MET H . 16082 1 655 . 1 1 54 54 MET HA H 1 4.585 0.005 . 1 . . . . 46 MET HA . 16082 1 656 . 1 1 54 54 MET HB2 H 1 1.867 0.000 . 2 . . . . 46 MET HB2 . 16082 1 657 . 1 1 54 54 MET HB3 H 1 2.014 0.005 . 2 . . . . 46 MET HB3 . 16082 1 658 . 1 1 54 54 MET HE1 H 1 1.878 0.005 . 1 . . . . 46 MET HE1 . 16082 1 659 . 1 1 54 54 MET HE2 H 1 1.878 0.005 . 1 . . . . 46 MET HE2 . 16082 1 660 . 1 1 54 54 MET HE3 H 1 1.878 0.005 . 1 . . . . 46 MET HE3 . 16082 1 661 . 1 1 54 54 MET HG2 H 1 2.126 0.004 . 2 . . . . 46 MET HG2 . 16082 1 662 . 1 1 54 54 MET HG3 H 1 2.741 0.004 . 2 . . . . 46 MET HG3 . 16082 1 663 . 1 1 54 54 MET C C 13 178.779 0.000 . 1 . . . . 46 MET C . 16082 1 664 . 1 1 54 54 MET CA C 13 55.549 0.090 . 1 . . . . 46 MET CA . 16082 1 665 . 1 1 54 54 MET CB C 13 29.465 0.052 . 1 . . . . 46 MET CB . 16082 1 666 . 1 1 54 54 MET CE C 13 16.132 0.030 . 1 . . . . 46 MET CE . 16082 1 667 . 1 1 54 54 MET CG C 13 31.076 0.085 . 1 . . . . 46 MET CG . 16082 1 668 . 1 1 54 54 MET N N 15 123.817 0.044 . 1 . . . . 46 MET N . 16082 1 669 . 1 1 55 55 ALA H H 1 8.860 0.005 . 1 . . . . 47 ALA H . 16082 1 670 . 1 1 55 55 ALA HA H 1 4.142 0.002 . 1 . . . . 47 ALA HA . 16082 1 671 . 1 1 55 55 ALA HB1 H 1 1.487 0.003 . 1 . . . . 47 ALA HB1 . 16082 1 672 . 1 1 55 55 ALA HB2 H 1 1.487 0.003 . 1 . . . . 47 ALA HB2 . 16082 1 673 . 1 1 55 55 ALA HB3 H 1 1.487 0.003 . 1 . . . . 47 ALA HB3 . 16082 1 674 . 1 1 55 55 ALA C C 13 178.752 0.000 . 1 . . . . 47 ALA C . 16082 1 675 . 1 1 55 55 ALA CA C 13 55.004 0.070 . 1 . . . . 47 ALA CA . 16082 1 676 . 1 1 55 55 ALA CB C 13 19.312 0.074 . 1 . . . . 47 ALA CB . 16082 1 677 . 1 1 55 55 ALA N N 15 119.194 0.047 . 1 . . . . 47 ALA N . 16082 1 678 . 1 1 56 56 VAL H H 1 7.127 0.004 . 1 . . . . 48 VAL H . 16082 1 679 . 1 1 56 56 VAL HA H 1 4.592 0.003 . 1 . . . . 48 VAL HA . 16082 1 680 . 1 1 56 56 VAL HB H 1 2.540 0.002 . 1 . . . . 48 VAL HB . 16082 1 681 . 1 1 56 56 VAL HG11 H 1 0.938 0.001 . 2 . . . . 48 VAL HG11 . 16082 1 682 . 1 1 56 56 VAL HG12 H 1 0.938 0.001 . 2 . . . . 48 VAL HG12 . 16082 1 683 . 1 1 56 56 VAL HG13 H 1 0.938 0.001 . 2 . . . . 48 VAL HG13 . 16082 1 684 . 1 1 56 56 VAL HG21 H 1 1.003 0.003 . 2 . . . . 48 VAL HG21 . 16082 1 685 . 1 1 56 56 VAL HG22 H 1 1.003 0.003 . 2 . . . . 48 VAL HG22 . 16082 1 686 . 1 1 56 56 VAL HG23 H 1 1.003 0.003 . 2 . . . . 48 VAL HG23 . 16082 1 687 . 1 1 56 56 VAL C C 13 174.965 0.000 . 1 . . . . 48 VAL C . 16082 1 688 . 1 1 56 56 VAL CA C 13 60.038 0.049 . 1 . . . . 48 VAL CA . 16082 1 689 . 1 1 56 56 VAL CB C 13 31.878 0.048 . 1 . . . . 48 VAL CB . 16082 1 690 . 1 1 56 56 VAL CG1 C 13 18.992 0.076 . 2 . . . . 48 VAL CG1 . 16082 1 691 . 1 1 56 56 VAL CG2 C 13 21.522 0.081 . 2 . . . . 48 VAL CG2 . 16082 1 692 . 1 1 56 56 VAL N N 15 105.989 0.039 . 1 . . . . 48 VAL N . 16082 1 693 . 1 1 57 57 CYS H H 1 7.414 0.007 . 1 . . . . 49 CYS H . 16082 1 694 . 1 1 57 57 CYS HA H 1 4.897 0.005 . 1 . . . . 49 CYS HA . 16082 1 695 . 1 1 57 57 CYS HB2 H 1 2.741 0.003 . 1 . . . . 49 CYS HB2 . 16082 1 696 . 1 1 57 57 CYS HB3 H 1 2.741 0.003 . 1 . . . . 49 CYS HB3 . 16082 1 697 . 1 1 57 57 CYS C C 13 173.836 0.000 . 1 . . . . 49 CYS C . 16082 1 698 . 1 1 57 57 CYS CA C 13 58.123 0.055 . 1 . . . . 49 CYS CA . 16082 1 699 . 1 1 57 57 CYS CB C 13 30.078 0.051 . 1 . . . . 49 CYS CB . 16082 1 700 . 1 1 57 57 CYS N N 15 119.973 0.029 . 1 . . . . 49 CYS N . 16082 1 701 . 1 1 58 58 GLU H H 1 8.852 0.015 . 1 . . . . 50 GLU H . 16082 1 702 . 1 1 58 58 GLU HA H 1 4.674 0.007 . 1 . . . . 50 GLU HA . 16082 1 703 . 1 1 58 58 GLU HB2 H 1 1.896 0.003 . 2 . . . . 50 GLU HB2 . 16082 1 704 . 1 1 58 58 GLU HB3 H 1 1.977 0.004 . 2 . . . . 50 GLU HB3 . 16082 1 705 . 1 1 58 58 GLU HG2 H 1 2.101 0.005 . 2 . . . . 50 GLU HG2 . 16082 1 706 . 1 1 58 58 GLU HG3 H 1 2.294 0.007 . 2 . . . . 50 GLU HG3 . 16082 1 707 . 1 1 58 58 GLU C C 13 175.085 0.000 . 1 . . . . 50 GLU C . 16082 1 708 . 1 1 58 58 GLU CA C 13 54.809 0.025 . 1 . . . . 50 GLU CA . 16082 1 709 . 1 1 58 58 GLU CB C 13 31.856 0.040 . 1 . . . . 50 GLU CB . 16082 1 710 . 1 1 58 58 GLU CG C 13 35.648 0.074 . 1 . . . . 50 GLU CG . 16082 1 711 . 1 1 58 58 GLU N N 15 124.719 0.053 . 1 . . . . 50 GLU N . 16082 1 712 . 1 1 59 59 ILE H H 1 8.731 0.004 . 1 . . . . 51 ILE H . 16082 1 713 . 1 1 59 59 ILE HA H 1 4.625 0.004 . 1 . . . . 51 ILE HA . 16082 1 714 . 1 1 59 59 ILE HB H 1 1.665 0.005 . 1 . . . . 51 ILE HB . 16082 1 715 . 1 1 59 59 ILE HD11 H 1 0.698 0.002 . 1 . . . . 51 ILE HD11 . 16082 1 716 . 1 1 59 59 ILE HD12 H 1 0.698 0.002 . 1 . . . . 51 ILE HD12 . 16082 1 717 . 1 1 59 59 ILE HD13 H 1 0.698 0.002 . 1 . . . . 51 ILE HD13 . 16082 1 718 . 1 1 59 59 ILE HG12 H 1 0.749 0.001 . 2 . . . . 51 ILE HG12 . 16082 1 719 . 1 1 59 59 ILE HG13 H 1 1.494 0.004 . 2 . . . . 51 ILE HG13 . 16082 1 720 . 1 1 59 59 ILE HG21 H 1 0.747 0.004 . 1 . . . . 51 ILE HG21 . 16082 1 721 . 1 1 59 59 ILE HG22 H 1 0.747 0.004 . 1 . . . . 51 ILE HG22 . 16082 1 722 . 1 1 59 59 ILE HG23 H 1 0.747 0.004 . 1 . . . . 51 ILE HG23 . 16082 1 723 . 1 1 59 59 ILE C C 13 175.513 0.000 . 1 . . . . 51 ILE C . 16082 1 724 . 1 1 59 59 ILE CA C 13 60.675 0.043 . 1 . . . . 51 ILE CA . 16082 1 725 . 1 1 59 59 ILE CB C 13 39.717 0.078 . 1 . . . . 51 ILE CB . 16082 1 726 . 1 1 59 59 ILE CD1 C 13 17.541 0.076 . 1 . . . . 51 ILE CD1 . 16082 1 727 . 1 1 59 59 ILE CG1 C 13 27.756 0.048 . 1 . . . . 51 ILE CG1 . 16082 1 728 . 1 1 59 59 ILE CG2 C 13 14.718 0.073 . 1 . . . . 51 ILE CG2 . 16082 1 729 . 1 1 59 59 ILE N N 15 124.286 0.036 . 1 . . . . 51 ILE N . 16082 1 730 . 1 1 60 60 LYS H H 1 9.212 0.004 . 1 . . . . 52 LYS H . 16082 1 731 . 1 1 60 60 LYS HA H 1 4.829 0.006 . 1 . . . . 52 LYS HA . 16082 1 732 . 1 1 60 60 LYS HB2 H 1 1.642 0.005 . 2 . . . . 52 LYS HB2 . 16082 1 733 . 1 1 60 60 LYS HB3 H 1 1.757 0.005 . 2 . . . . 52 LYS HB3 . 16082 1 734 . 1 1 60 60 LYS HD2 H 1 1.610 0.004 . 1 . . . . 52 LYS HD2 . 16082 1 735 . 1 1 60 60 LYS HD3 H 1 1.611 0.007 . 1 . . . . 52 LYS HD3 . 16082 1 736 . 1 1 60 60 LYS HE2 H 1 2.878 0.014 . 2 . . . . 52 LYS HE2 . 16082 1 737 . 1 1 60 60 LYS HE3 H 1 2.887 0.011 . 2 . . . . 52 LYS HE3 . 16082 1 738 . 1 1 60 60 LYS HG2 H 1 1.233 0.021 . 2 . . . . 52 LYS HG2 . 16082 1 739 . 1 1 60 60 LYS HG3 H 1 1.308 0.022 . 2 . . . . 52 LYS HG3 . 16082 1 740 . 1 1 60 60 LYS C C 13 175.594 0.000 . 1 . . . . 52 LYS C . 16082 1 741 . 1 1 60 60 LYS CA C 13 54.490 0.027 . 1 . . . . 52 LYS CA . 16082 1 742 . 1 1 60 60 LYS CB C 13 34.908 0.084 . 1 . . . . 52 LYS CB . 16082 1 743 . 1 1 60 60 LYS CD C 13 28.990 0.050 . 1 . . . . 52 LYS CD . 16082 1 744 . 1 1 60 60 LYS CE C 13 42.073 0.061 . 1 . . . . 52 LYS CE . 16082 1 745 . 1 1 60 60 LYS CG C 13 24.731 0.061 . 1 . . . . 52 LYS CG . 16082 1 746 . 1 1 60 60 LYS N N 15 128.004 0.054 . 1 . . . . 52 LYS N . 16082 1 747 . 1 1 61 61 VAL H H 1 8.776 0.009 . 1 . . . . 53 VAL H . 16082 1 748 . 1 1 61 61 VAL HA H 1 4.087 0.011 . 1 . . . . 53 VAL HA . 16082 1 749 . 1 1 61 61 VAL HB H 1 2.107 0.004 . 1 . . . . 53 VAL HB . 16082 1 750 . 1 1 61 61 VAL HG11 H 1 0.930 0.002 . 2 . . . . 53 VAL HG11 . 16082 1 751 . 1 1 61 61 VAL HG12 H 1 0.930 0.002 . 2 . . . . 53 VAL HG12 . 16082 1 752 . 1 1 61 61 VAL HG13 H 1 0.930 0.002 . 2 . . . . 53 VAL HG13 . 16082 1 753 . 1 1 61 61 VAL HG21 H 1 0.910 0.007 . 2 . . . . 53 VAL HG21 . 16082 1 754 . 1 1 61 61 VAL HG22 H 1 0.910 0.007 . 2 . . . . 53 VAL HG22 . 16082 1 755 . 1 1 61 61 VAL HG23 H 1 0.910 0.007 . 2 . . . . 53 VAL HG23 . 16082 1 756 . 1 1 61 61 VAL C C 13 175.262 0.000 . 1 . . . . 53 VAL C . 16082 1 757 . 1 1 61 61 VAL CA C 13 62.067 0.049 . 1 . . . . 53 VAL CA . 16082 1 758 . 1 1 61 61 VAL CB C 13 33.296 0.079 . 1 . . . . 53 VAL CB . 16082 1 759 . 1 1 61 61 VAL CG1 C 13 21.035 0.020 . 2 . . . . 53 VAL CG1 . 16082 1 760 . 1 1 61 61 VAL CG2 C 13 22.092 0.073 . 2 . . . . 53 VAL CG2 . 16082 1 761 . 1 1 61 61 VAL N N 15 124.000 0.111 . 1 . . . . 53 VAL N . 16082 1 762 . 1 1 62 62 HIS H H 1 7.677 0.015 . 1 . . . . 54 HIS H . 16082 1 763 . 1 1 62 62 HIS HA H 1 4.456 0.014 . 1 . . . . 54 HIS HA . 16082 1 764 . 1 1 62 62 HIS HB2 H 1 2.883 0.009 . 2 . . . . 54 HIS HB2 . 16082 1 765 . 1 1 62 62 HIS HB3 H 1 3.517 0.006 . 2 . . . . 54 HIS HB3 . 16082 1 766 . 1 1 62 62 HIS C C 13 176.465 0.000 . 1 . . . . 54 HIS C . 16082 1 767 . 1 1 62 62 HIS CA C 13 57.986 0.101 . 1 . . . . 54 HIS CA . 16082 1 768 . 1 1 62 62 HIS CB C 13 32.369 0.117 . 1 . . . . 54 HIS CB . 16082 1 769 . 1 1 62 62 HIS N N 15 127.177 0.083 . 1 . . . . 54 HIS N . 16082 1 770 . 1 1 63 63 SER H H 1 8.552 0.015 . 1 . . . . 55 SER H . 16082 1 771 . 1 1 63 63 SER HA H 1 4.251 0.003 . 1 . . . . 55 SER HA . 16082 1 772 . 1 1 63 63 SER HB2 H 1 3.848 0.002 . 2 . . . . 55 SER HB2 . 16082 1 773 . 1 1 63 63 SER HB3 H 1 3.910 0.001 . 2 . . . . 55 SER HB3 . 16082 1 774 . 1 1 63 63 SER C C 13 174.509 0.000 . 1 . . . . 55 SER C . 16082 1 775 . 1 1 63 63 SER CA C 13 60.312 0.063 . 1 . . . . 55 SER CA . 16082 1 776 . 1 1 63 63 SER CB C 13 63.609 0.055 . 1 . . . . 55 SER CB . 16082 1 777 . 1 1 63 63 SER N N 15 120.508 0.042 . 1 . . . . 55 SER N . 16082 1 778 . 1 1 64 64 ALA H H 1 8.807 0.005 . 1 . . . . 56 ALA H . 16082 1 779 . 1 1 64 64 ALA HA H 1 4.553 0.011 . 1 . . . . 56 ALA HA . 16082 1 780 . 1 1 64 64 ALA HB1 H 1 1.470 0.003 . 1 . . . . 56 ALA HB1 . 16082 1 781 . 1 1 64 64 ALA HB2 H 1 1.470 0.003 . 1 . . . . 56 ALA HB2 . 16082 1 782 . 1 1 64 64 ALA HB3 H 1 1.470 0.003 . 1 . . . . 56 ALA HB3 . 16082 1 783 . 1 1 64 64 ALA C C 13 176.763 0.000 . 1 . . . . 56 ALA C . 16082 1 784 . 1 1 64 64 ALA CA C 13 53.183 0.069 . 1 . . . . 56 ALA CA . 16082 1 785 . 1 1 64 64 ALA CB C 13 20.619 0.048 . 1 . . . . 56 ALA CB . 16082 1 786 . 1 1 64 64 ALA N N 15 124.728 0.044 . 1 . . . . 56 ALA N . 16082 1 787 . 1 1 65 65 ASP H H 1 8.762 0.019 . 1 . . . . 57 ASP H . 16082 1 788 . 1 1 65 65 ASP HA H 1 4.689 0.004 . 1 . . . . 57 ASP HA . 16082 1 789 . 1 1 65 65 ASP HB2 H 1 2.282 0.009 . 2 . . . . 57 ASP HB2 . 16082 1 790 . 1 1 65 65 ASP HB3 H 1 2.394 0.010 . 2 . . . . 57 ASP HB3 . 16082 1 791 . 1 1 65 65 ASP C C 13 176.322 0.000 . 1 . . . . 57 ASP C . 16082 1 792 . 1 1 65 65 ASP CA C 13 52.911 0.055 . 1 . . . . 57 ASP CA . 16082 1 793 . 1 1 65 65 ASP CB C 13 41.216 0.074 . 1 . . . . 57 ASP CB . 16082 1 794 . 1 1 65 65 ASP N N 15 120.574 0.068 . 1 . . . . 57 ASP N . 16082 1 795 . 1 1 66 66 ASN H H 1 8.457 0.004 . 1 . . . . 58 ASN H . 16082 1 796 . 1 1 66 66 ASN HA H 1 4.580 0.005 . 1 . . . . 58 ASN HA . 16082 1 797 . 1 1 66 66 ASN HB2 H 1 2.935 0.003 . 2 . . . . 58 ASN HB2 . 16082 1 798 . 1 1 66 66 ASN HB3 H 1 3.096 0.007 . 2 . . . . 58 ASN HB3 . 16082 1 799 . 1 1 66 66 ASN HD21 H 1 6.800 0.006 . 1 . . . . 58 ASN HD21 . 16082 1 800 . 1 1 66 66 ASN HD22 H 1 7.494 0.010 . 1 . . . . 58 ASN HD22 . 16082 1 801 . 1 1 66 66 ASN C C 13 174.296 0.000 . 1 . . . . 58 ASN C . 16082 1 802 . 1 1 66 66 ASN CA C 13 54.146 0.048 . 1 . . . . 58 ASN CA . 16082 1 803 . 1 1 66 66 ASN CB C 13 37.538 0.094 . 1 . . . . 58 ASN CB . 16082 1 804 . 1 1 66 66 ASN N N 15 122.233 0.031 . 1 . . . . 58 ASN N . 16082 1 805 . 1 1 66 66 ASN ND2 N 15 110.047 0.168 . 1 . . . . 58 ASN ND2 . 16082 1 806 . 1 1 67 67 THR H H 1 8.411 0.007 . 1 . . . . 59 THR H . 16082 1 807 . 1 1 67 67 THR HA H 1 4.284 0.005 . 1 . . . . 59 THR HA . 16082 1 808 . 1 1 67 67 THR HB H 1 4.433 0.007 . 1 . . . . 59 THR HB . 16082 1 809 . 1 1 67 67 THR HG21 H 1 0.871 0.003 . 1 . . . . 59 THR HG21 . 16082 1 810 . 1 1 67 67 THR HG22 H 1 0.871 0.003 . 1 . . . . 59 THR HG22 . 16082 1 811 . 1 1 67 67 THR HG23 H 1 0.871 0.003 . 1 . . . . 59 THR HG23 . 16082 1 812 . 1 1 67 67 THR C C 13 175.932 0.000 . 1 . . . . 59 THR C . 16082 1 813 . 1 1 67 67 THR CA C 13 62.159 0.086 . 1 . . . . 59 THR CA . 16082 1 814 . 1 1 67 67 THR CB C 13 70.025 0.084 . 1 . . . . 59 THR CB . 16082 1 815 . 1 1 67 67 THR CG2 C 13 21.907 0.048 . 1 . . . . 59 THR CG2 . 16082 1 816 . 1 1 67 67 THR N N 15 104.777 0.069 . 1 . . . . 59 THR N . 16082 1 817 . 1 1 68 68 ARG H H 1 7.589 0.004 . 1 . . . . 60 ARG H . 16082 1 818 . 1 1 68 68 ARG HA H 1 5.044 0.006 . 1 . . . . 60 ARG HA . 16082 1 819 . 1 1 68 68 ARG HB2 H 1 1.544 0.009 . 2 . . . . 60 ARG HB2 . 16082 1 820 . 1 1 68 68 ARG HB3 H 1 2.053 0.003 . 2 . . . . 60 ARG HB3 . 16082 1 821 . 1 1 68 68 ARG HD2 H 1 2.628 0.023 . 2 . . . . 60 ARG HD2 . 16082 1 822 . 1 1 68 68 ARG HD3 H 1 2.918 0.008 . 2 . . . . 60 ARG HD3 . 16082 1 823 . 1 1 68 68 ARG HG2 H 1 1.377 0.005 . 2 . . . . 60 ARG HG2 . 16082 1 824 . 1 1 68 68 ARG HG3 H 1 1.621 0.004 . 2 . . . . 60 ARG HG3 . 16082 1 825 . 1 1 68 68 ARG C C 13 176.482 0.000 . 1 . . . . 60 ARG C . 16082 1 826 . 1 1 68 68 ARG CA C 13 56.516 0.079 . 1 . . . . 60 ARG CA . 16082 1 827 . 1 1 68 68 ARG CB C 13 34.348 0.058 . 1 . . . . 60 ARG CB . 16082 1 828 . 1 1 68 68 ARG CD C 13 44.233 0.079 . 1 . . . . 60 ARG CD . 16082 1 829 . 1 1 68 68 ARG CG C 13 27.655 0.039 . 1 . . . . 60 ARG CG . 16082 1 830 . 1 1 68 68 ARG N N 15 122.336 0.040 . 1 . . . . 60 ARG N . 16082 1 831 . 1 1 69 69 MET H H 1 9.018 0.004 . 1 . . . . 61 MET H . 16082 1 832 . 1 1 69 69 MET HA H 1 4.997 0.007 . 1 . . . . 61 MET HA . 16082 1 833 . 1 1 69 69 MET HB2 H 1 1.935 0.005 . 1 . . . . 61 MET HB2 . 16082 1 834 . 1 1 69 69 MET HB3 H 1 1.935 0.005 . 1 . . . . 61 MET HB3 . 16082 1 835 . 1 1 69 69 MET HE1 H 1 1.632 0.001 . 1 . . . . 61 MET HE1 . 16082 1 836 . 1 1 69 69 MET HE2 H 1 1.632 0.001 . 1 . . . . 61 MET HE2 . 16082 1 837 . 1 1 69 69 MET HE3 H 1 1.632 0.001 . 1 . . . . 61 MET HE3 . 16082 1 838 . 1 1 69 69 MET HG2 H 1 2.143 0.005 . 2 . . . . 61 MET HG2 . 16082 1 839 . 1 1 69 69 MET HG3 H 1 2.218 0.009 . 2 . . . . 61 MET HG3 . 16082 1 840 . 1 1 69 69 MET C C 13 172.463 0.000 . 1 . . . . 61 MET C . 16082 1 841 . 1 1 69 69 MET CA C 13 55.330 0.069 . 1 . . . . 61 MET CA . 16082 1 842 . 1 1 69 69 MET CB C 13 37.234 0.123 . 1 . . . . 61 MET CB . 16082 1 843 . 1 1 69 69 MET CE C 13 18.289 0.029 . 1 . . . . 61 MET CE . 16082 1 844 . 1 1 69 69 MET CG C 13 32.093 0.060 . 1 . . . . 61 MET CG . 16082 1 845 . 1 1 69 69 MET N N 15 119.640 0.084 . 1 . . . . 61 MET N . 16082 1 846 . 1 1 70 70 GLU H H 1 8.996 0.003 . 1 . . . . 62 GLU H . 16082 1 847 . 1 1 70 70 GLU HA H 1 5.365 0.007 . 1 . . . . 62 GLU HA . 16082 1 848 . 1 1 70 70 GLU HB2 H 1 2.033 0.007 . 1 . . . . 62 GLU HB2 . 16082 1 849 . 1 1 70 70 GLU HB3 H 1 2.033 0.007 . 1 . . . . 62 GLU HB3 . 16082 1 850 . 1 1 70 70 GLU HG2 H 1 2.049 0.005 . 1 . . . . 62 GLU HG2 . 16082 1 851 . 1 1 70 70 GLU HG3 H 1 2.049 0.005 . 1 . . . . 62 GLU HG3 . 16082 1 852 . 1 1 70 70 GLU C C 13 173.523 0.000 . 1 . . . . 62 GLU C . 16082 1 853 . 1 1 70 70 GLU CA C 13 54.326 0.066 . 1 . . . . 62 GLU CA . 16082 1 854 . 1 1 70 70 GLU CB C 13 33.915 0.071 . 1 . . . . 62 GLU CB . 16082 1 855 . 1 1 70 70 GLU CG C 13 36.267 0.089 . 1 . . . . 62 GLU CG . 16082 1 856 . 1 1 70 70 GLU N N 15 122.200 0.077 . 1 . . . . 62 GLU N . 16082 1 857 . 1 1 71 71 LEU H H 1 8.763 0.013 . 1 . . . . 63 LEU H . 16082 1 858 . 1 1 71 71 LEU HA H 1 5.222 0.007 . 1 . . . . 63 LEU HA . 16082 1 859 . 1 1 71 71 LEU HB2 H 1 1.314 0.006 . 2 . . . . 63 LEU HB2 . 16082 1 860 . 1 1 71 71 LEU HB3 H 1 1.531 0.005 . 2 . . . . 63 LEU HB3 . 16082 1 861 . 1 1 71 71 LEU HD11 H 1 0.635 0.002 . 2 . . . . 63 LEU HD11 . 16082 1 862 . 1 1 71 71 LEU HD12 H 1 0.635 0.002 . 2 . . . . 63 LEU HD12 . 16082 1 863 . 1 1 71 71 LEU HD13 H 1 0.635 0.002 . 2 . . . . 63 LEU HD13 . 16082 1 864 . 1 1 71 71 LEU HD21 H 1 0.702 0.004 . 2 . . . . 63 LEU HD21 . 16082 1 865 . 1 1 71 71 LEU HD22 H 1 0.702 0.004 . 2 . . . . 63 LEU HD22 . 16082 1 866 . 1 1 71 71 LEU HD23 H 1 0.702 0.004 . 2 . . . . 63 LEU HD23 . 16082 1 867 . 1 1 71 71 LEU HG H 1 1.529 0.002 . 1 . . . . 63 LEU HG . 16082 1 868 . 1 1 71 71 LEU C C 13 175.719 0.000 . 1 . . . . 63 LEU C . 16082 1 869 . 1 1 71 71 LEU CA C 13 53.222 0.079 . 1 . . . . 63 LEU CA . 16082 1 870 . 1 1 71 71 LEU CB C 13 43.781 0.083 . 1 . . . . 63 LEU CB . 16082 1 871 . 1 1 71 71 LEU CD1 C 13 25.590 0.044 . 2 . . . . 63 LEU CD1 . 16082 1 872 . 1 1 71 71 LEU CD2 C 13 24.947 0.079 . 2 . . . . 63 LEU CD2 . 16082 1 873 . 1 1 71 71 LEU CG C 13 28.056 0.062 . 1 . . . . 63 LEU CG . 16082 1 874 . 1 1 71 71 LEU N N 15 123.741 0.133 . 1 . . . . 63 LEU N . 16082 1 875 . 1 1 72 72 ILE H H 1 9.006 0.009 . 1 . . . . 64 ILE H . 16082 1 876 . 1 1 72 72 ILE HA H 1 4.316 0.003 . 1 . . . . 64 ILE HA . 16082 1 877 . 1 1 72 72 ILE HB H 1 1.668 0.005 . 1 . . . . 64 ILE HB . 16082 1 878 . 1 1 72 72 ILE HD11 H 1 0.582 0.007 . 1 . . . . 64 ILE HD11 . 16082 1 879 . 1 1 72 72 ILE HD12 H 1 0.582 0.007 . 1 . . . . 64 ILE HD12 . 16082 1 880 . 1 1 72 72 ILE HD13 H 1 0.582 0.007 . 1 . . . . 64 ILE HD13 . 16082 1 881 . 1 1 72 72 ILE HG12 H 1 0.338 0.009 . 2 . . . . 64 ILE HG12 . 16082 1 882 . 1 1 72 72 ILE HG13 H 1 1.117 0.005 . 2 . . . . 64 ILE HG13 . 16082 1 883 . 1 1 72 72 ILE HG21 H 1 0.609 0.006 . 1 . . . . 64 ILE HG21 . 16082 1 884 . 1 1 72 72 ILE HG22 H 1 0.609 0.006 . 1 . . . . 64 ILE HG22 . 16082 1 885 . 1 1 72 72 ILE HG23 H 1 0.609 0.006 . 1 . . . . 64 ILE HG23 . 16082 1 886 . 1 1 72 72 ILE C C 13 175.349 0.000 . 1 . . . . 64 ILE C . 16082 1 887 . 1 1 72 72 ILE CA C 13 60.921 0.044 . 1 . . . . 64 ILE CA . 16082 1 888 . 1 1 72 72 ILE CB C 13 39.919 0.097 . 1 . . . . 64 ILE CB . 16082 1 889 . 1 1 72 72 ILE CD1 C 13 17.666 0.072 . 1 . . . . 64 ILE CD1 . 16082 1 890 . 1 1 72 72 ILE CG1 C 13 27.628 0.111 . 1 . . . . 64 ILE CG1 . 16082 1 891 . 1 1 72 72 ILE CG2 C 13 14.177 0.053 . 1 . . . . 64 ILE CG2 . 16082 1 892 . 1 1 72 72 ILE N N 15 123.633 0.058 . 1 . . . . 64 ILE N . 16082 1 893 . 1 1 73 73 ILE H H 1 8.601 0.005 . 1 . . . . 65 ILE H . 16082 1 894 . 1 1 73 73 ILE HA H 1 4.854 0.005 . 1 . . . . 65 ILE HA . 16082 1 895 . 1 1 73 73 ILE HB H 1 1.856 0.003 . 1 . . . . 65 ILE HB . 16082 1 896 . 1 1 73 73 ILE HD11 H 1 0.928 0.002 . 1 . . . . 65 ILE HD11 . 16082 1 897 . 1 1 73 73 ILE HD12 H 1 0.928 0.002 . 1 . . . . 65 ILE HD12 . 16082 1 898 . 1 1 73 73 ILE HD13 H 1 0.928 0.002 . 1 . . . . 65 ILE HD13 . 16082 1 899 . 1 1 73 73 ILE HG12 H 1 1.089 0.006 . 2 . . . . 65 ILE HG12 . 16082 1 900 . 1 1 73 73 ILE HG13 H 1 1.478 0.002 . 2 . . . . 65 ILE HG13 . 16082 1 901 . 1 1 73 73 ILE HG21 H 1 0.844 0.003 . 1 . . . . 65 ILE HG21 . 16082 1 902 . 1 1 73 73 ILE HG22 H 1 0.844 0.003 . 1 . . . . 65 ILE HG22 . 16082 1 903 . 1 1 73 73 ILE HG23 H 1 0.844 0.003 . 1 . . . . 65 ILE HG23 . 16082 1 904 . 1 1 73 73 ILE CA C 13 58.440 0.066 . 1 . . . . 65 ILE CA . 16082 1 905 . 1 1 73 73 ILE CB C 13 39.820 0.063 . 1 . . . . 65 ILE CB . 16082 1 906 . 1 1 73 73 ILE CD1 C 13 17.784 0.079 . 1 . . . . 65 ILE CD1 . 16082 1 907 . 1 1 73 73 ILE CG1 C 13 27.377 0.087 . 1 . . . . 65 ILE CG1 . 16082 1 908 . 1 1 73 73 ILE CG2 C 13 14.349 0.050 . 1 . . . . 65 ILE CG2 . 16082 1 909 . 1 1 73 73 ILE N N 15 128.410 0.051 . 1 . . . . 65 ILE N . 16082 1 910 . 1 1 74 74 PRO HA H 1 4.265 0.004 . 1 . . . . 66 PRO HA . 16082 1 911 . 1 1 74 74 PRO HB2 H 1 1.934 0.003 . 2 . . . . 66 PRO HB2 . 16082 1 912 . 1 1 74 74 PRO HB3 H 1 2.349 0.002 . 2 . . . . 66 PRO HB3 . 16082 1 913 . 1 1 74 74 PRO HD2 H 1 3.729 0.002 . 2 . . . . 66 PRO HD2 . 16082 1 914 . 1 1 74 74 PRO HD3 H 1 4.070 0.004 . 2 . . . . 66 PRO HD3 . 16082 1 915 . 1 1 74 74 PRO HG2 H 1 2.004 0.005 . 2 . . . . 66 PRO HG2 . 16082 1 916 . 1 1 74 74 PRO HG3 H 1 2.178 0.003 . 2 . . . . 66 PRO HG3 . 16082 1 917 . 1 1 74 74 PRO C C 13 177.170 0.000 . 1 . . . . 66 PRO C . 16082 1 918 . 1 1 74 74 PRO CA C 13 64.500 0.067 . 1 . . . . 66 PRO CA . 16082 1 919 . 1 1 74 74 PRO CB C 13 31.826 0.055 . 1 . . . . 66 PRO CB . 16082 1 920 . 1 1 74 74 PRO CD C 13 51.715 0.080 . 1 . . . . 66 PRO CD . 16082 1 921 . 1 1 74 74 PRO CG C 13 27.843 0.055 . 1 . . . . 66 PRO CG . 16082 1 922 . 1 1 75 75 GLY H H 1 8.704 0.004 . 1 . . . . 67 GLY H . 16082 1 923 . 1 1 75 75 GLY HA2 H 1 3.753 0.005 . 2 . . . . 67 GLY HA2 . 16082 1 924 . 1 1 75 75 GLY HA3 H 1 4.251 0.005 . 2 . . . . 67 GLY HA3 . 16082 1 925 . 1 1 75 75 GLY C C 13 174.192 0.000 . 1 . . . . 67 GLY C . 16082 1 926 . 1 1 75 75 GLY CA C 13 45.479 0.062 . 1 . . . . 67 GLY CA . 16082 1 927 . 1 1 75 75 GLY N N 15 111.825 0.049 . 1 . . . . 67 GLY N . 16082 1 928 . 1 1 76 76 GLU H H 1 8.258 0.004 . 1 . . . . 68 GLU H . 16082 1 929 . 1 1 76 76 GLU HA H 1 4.483 0.011 . 1 . . . . 68 GLU HA . 16082 1 930 . 1 1 76 76 GLU HB2 H 1 1.898 0.003 . 2 . . . . 68 GLU HB2 . 16082 1 931 . 1 1 76 76 GLU HB3 H 1 2.261 0.006 . 2 . . . . 68 GLU HB3 . 16082 1 932 . 1 1 76 76 GLU HG2 H 1 2.204 0.004 . 2 . . . . 68 GLU HG2 . 16082 1 933 . 1 1 76 76 GLU HG3 H 1 2.308 0.004 . 2 . . . . 68 GLU HG3 . 16082 1 934 . 1 1 76 76 GLU C C 13 175.838 0.000 . 1 . . . . 68 GLU C . 16082 1 935 . 1 1 76 76 GLU CA C 13 56.178 0.061 . 1 . . . . 68 GLU CA . 16082 1 936 . 1 1 76 76 GLU CB C 13 31.066 0.063 . 1 . . . . 68 GLU CB . 16082 1 937 . 1 1 76 76 GLU CG C 13 35.944 0.098 . 1 . . . . 68 GLU CG . 16082 1 938 . 1 1 76 76 GLU N N 15 118.446 0.032 . 1 . . . . 68 GLU N . 16082 1 939 . 1 1 77 77 GLN H H 1 8.102 0.007 . 1 . . . . 69 GLN H . 16082 1 940 . 1 1 77 77 GLN HA H 1 4.556 0.003 . 1 . . . . 69 GLN HA . 16082 1 941 . 1 1 77 77 GLN HB2 H 1 1.882 0.003 . 2 . . . . 69 GLN HB2 . 16082 1 942 . 1 1 77 77 GLN HB3 H 1 1.993 0.003 . 2 . . . . 69 GLN HB3 . 16082 1 943 . 1 1 77 77 GLN HE21 H 1 6.981 0.009 . 1 . . . . 69 GLN HE21 . 16082 1 944 . 1 1 77 77 GLN HE22 H 1 7.591 0.003 . 1 . . . . 69 GLN HE22 . 16082 1 945 . 1 1 77 77 GLN HG2 H 1 2.329 0.002 . 1 . . . . 69 GLN HG2 . 16082 1 946 . 1 1 77 77 GLN HG3 H 1 2.329 0.002 . 1 . . . . 69 GLN HG3 . 16082 1 947 . 1 1 77 77 GLN C C 13 175.179 0.000 . 1 . . . . 69 GLN C . 16082 1 948 . 1 1 77 77 GLN CA C 13 55.633 0.081 . 1 . . . . 69 GLN CA . 16082 1 949 . 1 1 77 77 GLN CB C 13 31.116 0.078 . 1 . . . . 69 GLN CB . 16082 1 950 . 1 1 77 77 GLN CG C 13 33.983 0.059 . 1 . . . . 69 GLN CG . 16082 1 951 . 1 1 77 77 GLN N N 15 117.826 0.061 . 1 . . . . 69 GLN N . 16082 1 952 . 1 1 77 77 GLN NE2 N 15 112.073 0.187 . 1 . . . . 69 GLN NE2 . 16082 1 953 . 1 1 78 78 HIS H H 1 8.857 0.011 . 1 . . . . 70 HIS H . 16082 1 954 . 1 1 78 78 HIS HA H 1 4.923 0.008 . 1 . . . . 70 HIS HA . 16082 1 955 . 1 1 78 78 HIS HB2 H 1 2.720 0.009 . 2 . . . . 70 HIS HB2 . 16082 1 956 . 1 1 78 78 HIS HB3 H 1 2.947 0.009 . 2 . . . . 70 HIS HB3 . 16082 1 957 . 1 1 78 78 HIS C C 13 173.113 0.000 . 1 . . . . 70 HIS C . 16082 1 958 . 1 1 78 78 HIS CA C 13 54.623 0.031 . 1 . . . . 70 HIS CA . 16082 1 959 . 1 1 78 78 HIS CB C 13 30.231 0.090 . 1 . . . . 70 HIS CB . 16082 1 960 . 1 1 78 78 HIS N N 15 120.752 0.092 . 1 . . . . 70 HIS N . 16082 1 961 . 1 1 79 79 PHE H H 1 9.120 0.007 . 1 . . . . 71 PHE H . 16082 1 962 . 1 1 79 79 PHE HA H 1 4.797 0.007 . 1 . . . . 71 PHE HA . 16082 1 963 . 1 1 79 79 PHE HB2 H 1 2.908 0.003 . 2 . . . . 71 PHE HB2 . 16082 1 964 . 1 1 79 79 PHE HB3 H 1 3.193 0.007 . 2 . . . . 71 PHE HB3 . 16082 1 965 . 1 1 79 79 PHE HD1 H 1 7.158 0.001 . 3 . . . . 71 PHE HD1 . 16082 1 966 . 1 1 79 79 PHE HD2 H 1 7.158 0.001 . 3 . . . . 71 PHE HD2 . 16082 1 967 . 1 1 79 79 PHE C C 13 174.341 0.000 . 1 . . . . 71 PHE C . 16082 1 968 . 1 1 79 79 PHE CA C 13 56.191 0.073 . 1 . . . . 71 PHE CA . 16082 1 969 . 1 1 79 79 PHE CB C 13 40.983 0.131 . 1 . . . . 71 PHE CB . 16082 1 970 . 1 1 79 79 PHE N N 15 124.577 0.028 . 1 . . . . 71 PHE N . 16082 1 971 . 1 1 80 80 TYR H H 1 8.883 0.008 . 1 . . . . 72 TYR H . 16082 1 972 . 1 1 80 80 TYR HA H 1 5.142 0.003 . 1 . . . . 72 TYR HA . 16082 1 973 . 1 1 80 80 TYR HB2 H 1 2.995 0.009 . 2 . . . . 72 TYR HB2 . 16082 1 974 . 1 1 80 80 TYR HB3 H 1 3.182 0.003 . 2 . . . . 72 TYR HB3 . 16082 1 975 . 1 1 80 80 TYR HD1 H 1 7.083 0.002 . 3 . . . . 72 TYR HD1 . 16082 1 976 . 1 1 80 80 TYR HD2 H 1 7.083 0.002 . 3 . . . . 72 TYR HD2 . 16082 1 977 . 1 1 80 80 TYR HE1 H 1 6.604 0.001 . 3 . . . . 72 TYR HE1 . 16082 1 978 . 1 1 80 80 TYR HE2 H 1 6.604 0.001 . 3 . . . . 72 TYR HE2 . 16082 1 979 . 1 1 80 80 TYR C C 13 175.115 0.000 . 1 . . . . 72 TYR C . 16082 1 980 . 1 1 80 80 TYR CA C 13 57.353 0.095 . 1 . . . . 72 TYR CA . 16082 1 981 . 1 1 80 80 TYR CB C 13 39.753 0.046 . 1 . . . . 72 TYR CB . 16082 1 982 . 1 1 80 80 TYR CD1 C 13 131.183 0.062 . 3 . . . . 72 TYR CD1 . 16082 1 983 . 1 1 80 80 TYR CD2 C 13 131.183 0.062 . 3 . . . . 72 TYR CD2 . 16082 1 984 . 1 1 80 80 TYR CE1 C 13 116.388 0.033 . 3 . . . . 72 TYR CE1 . 16082 1 985 . 1 1 80 80 TYR CE2 C 13 116.388 0.033 . 3 . . . . 72 TYR CE2 . 16082 1 986 . 1 1 80 80 TYR N N 15 124.010 0.044 . 1 . . . . 72 TYR N . 16082 1 987 . 1 1 81 81 MET H H 1 8.824 0.005 . 1 . . . . 73 MET H . 16082 1 988 . 1 1 81 81 MET HA H 1 5.983 0.006 . 1 . . . . 73 MET HA . 16082 1 989 . 1 1 81 81 MET HB2 H 1 1.665 0.006 . 2 . . . . 73 MET HB2 . 16082 1 990 . 1 1 81 81 MET HB3 H 1 1.756 0.003 . 2 . . . . 73 MET HB3 . 16082 1 991 . 1 1 81 81 MET HE1 H 1 1.307 0.002 . 1 . . . . 73 MET HE1 . 16082 1 992 . 1 1 81 81 MET HE2 H 1 1.307 0.002 . 1 . . . . 73 MET HE2 . 16082 1 993 . 1 1 81 81 MET HE3 H 1 1.307 0.002 . 1 . . . . 73 MET HE3 . 16082 1 994 . 1 1 81 81 MET HG2 H 1 2.029 0.005 . 2 . . . . 73 MET HG2 . 16082 1 995 . 1 1 81 81 MET HG3 H 1 2.197 0.004 . 2 . . . . 73 MET HG3 . 16082 1 996 . 1 1 81 81 MET C C 13 175.053 0.000 . 1 . . . . 73 MET C . 16082 1 997 . 1 1 81 81 MET CA C 13 54.453 0.070 . 1 . . . . 73 MET CA . 16082 1 998 . 1 1 81 81 MET CB C 13 38.584 0.057 . 1 . . . . 73 MET CB . 16082 1 999 . 1 1 81 81 MET CE C 13 17.184 0.026 . 1 . . . . 73 MET CE . 16082 1 1000 . 1 1 81 81 MET CG C 13 32.125 0.065 . 1 . . . . 73 MET CG . 16082 1 1001 . 1 1 81 81 MET N N 15 120.151 0.052 . 1 . . . . 73 MET N . 16082 1 1002 . 1 1 82 82 LYS H H 1 9.103 0.002 . 1 . . . . 74 LYS H . 16082 1 1003 . 1 1 82 82 LYS HA H 1 4.800 0.000 . 1 . . . . 74 LYS HA . 16082 1 1004 . 1 1 82 82 LYS HB2 H 1 0.696 0.008 . 2 . . . . 74 LYS HB2 . 16082 1 1005 . 1 1 82 82 LYS HB3 H 1 0.970 0.004 . 2 . . . . 74 LYS HB3 . 16082 1 1006 . 1 1 82 82 LYS HD2 H 1 0.043 0.007 . 2 . . . . 74 LYS HD2 . 16082 1 1007 . 1 1 82 82 LYS HD3 H 1 0.302 0.006 . 2 . . . . 74 LYS HD3 . 16082 1 1008 . 1 1 82 82 LYS HE2 H 1 1.797 0.002 . 2 . . . . 74 LYS HE2 . 16082 1 1009 . 1 1 82 82 LYS HE3 H 1 1.907 0.003 . 2 . . . . 74 LYS HE3 . 16082 1 1010 . 1 1 82 82 LYS HG2 H 1 0.724 0.004 . 2 . . . . 74 LYS HG2 . 16082 1 1011 . 1 1 82 82 LYS HG3 H 1 0.763 0.004 . 2 . . . . 74 LYS HG3 . 16082 1 1012 . 1 1 82 82 LYS C C 13 174.244 0.000 . 1 . . . . 74 LYS C . 16082 1 1013 . 1 1 82 82 LYS CA C 13 55.314 0.047 . 1 . . . . 74 LYS CA . 16082 1 1014 . 1 1 82 82 LYS CB C 13 36.251 0.077 . 1 . . . . 74 LYS CB . 16082 1 1015 . 1 1 82 82 LYS CD C 13 28.599 0.066 . 1 . . . . 74 LYS CD . 16082 1 1016 . 1 1 82 82 LYS CE C 13 41.127 0.061 . 1 . . . . 74 LYS CE . 16082 1 1017 . 1 1 82 82 LYS CG C 13 23.982 0.066 . 1 . . . . 74 LYS CG . 16082 1 1018 . 1 1 82 82 LYS N N 15 121.097 0.036 . 1 . . . . 74 LYS N . 16082 1 1019 . 1 1 83 83 ALA H H 1 8.740 0.005 . 1 . . . . 75 ALA H . 16082 1 1020 . 1 1 83 83 ALA HA H 1 4.786 0.004 . 1 . . . . 75 ALA HA . 16082 1 1021 . 1 1 83 83 ALA HB1 H 1 1.451 0.002 . 1 . . . . 75 ALA HB1 . 16082 1 1022 . 1 1 83 83 ALA HB2 H 1 1.451 0.002 . 1 . . . . 75 ALA HB2 . 16082 1 1023 . 1 1 83 83 ALA HB3 H 1 1.451 0.002 . 1 . . . . 75 ALA HB3 . 16082 1 1024 . 1 1 83 83 ALA C C 13 177.126 0.000 . 1 . . . . 75 ALA C . 16082 1 1025 . 1 1 83 83 ALA CA C 13 49.893 0.068 . 1 . . . . 75 ALA CA . 16082 1 1026 . 1 1 83 83 ALA CB C 13 21.311 0.051 . 1 . . . . 75 ALA CB . 16082 1 1027 . 1 1 83 83 ALA N N 15 126.624 0.044 . 1 . . . . 75 ALA N . 16082 1 1028 . 1 1 84 84 VAL H H 1 9.105 0.003 . 1 . . . . 76 VAL H . 16082 1 1029 . 1 1 84 84 VAL HA H 1 3.835 0.003 . 1 . . . . 76 VAL HA . 16082 1 1030 . 1 1 84 84 VAL HB H 1 2.192 0.003 . 1 . . . . 76 VAL HB . 16082 1 1031 . 1 1 84 84 VAL HG11 H 1 1.111 0.001 . 1 . . . . 76 VAL HG11 . 16082 1 1032 . 1 1 84 84 VAL HG12 H 1 1.111 0.001 . 1 . . . . 76 VAL HG12 . 16082 1 1033 . 1 1 84 84 VAL HG13 H 1 1.111 0.001 . 1 . . . . 76 VAL HG13 . 16082 1 1034 . 1 1 84 84 VAL HG21 H 1 1.111 0.001 . 1 . . . . 76 VAL HG21 . 16082 1 1035 . 1 1 84 84 VAL HG22 H 1 1.111 0.001 . 1 . . . . 76 VAL HG22 . 16082 1 1036 . 1 1 84 84 VAL HG23 H 1 1.111 0.001 . 1 . . . . 76 VAL HG23 . 16082 1 1037 . 1 1 84 84 VAL C C 13 175.635 0.000 . 1 . . . . 76 VAL C . 16082 1 1038 . 1 1 84 84 VAL CA C 13 64.888 0.073 . 1 . . . . 76 VAL CA . 16082 1 1039 . 1 1 84 84 VAL CB C 13 32.097 0.076 . 1 . . . . 76 VAL CB . 16082 1 1040 . 1 1 84 84 VAL CG1 C 13 21.026 0.055 . 1 . . . . 76 VAL CG1 . 16082 1 1041 . 1 1 84 84 VAL CG2 C 13 21.026 0.055 . 1 . . . . 76 VAL CG2 . 16082 1 1042 . 1 1 84 84 VAL N N 15 115.195 0.032 . 1 . . . . 76 VAL N . 16082 1 1043 . 1 1 85 85 ASN H H 1 7.278 0.003 . 1 . . . . 77 ASN H . 16082 1 1044 . 1 1 85 85 ASN HA H 1 4.476 0.004 . 1 . . . . 77 ASN HA . 16082 1 1045 . 1 1 85 85 ASN HB2 H 1 3.150 0.022 . 2 . . . . 77 ASN HB2 . 16082 1 1046 . 1 1 85 85 ASN HB3 H 1 3.215 0.005 . 2 . . . . 77 ASN HB3 . 16082 1 1047 . 1 1 85 85 ASN HD21 H 1 7.000 0.003 . 1 . . . . 77 ASN HD21 . 16082 1 1048 . 1 1 85 85 ASN HD22 H 1 7.618 0.004 . 1 . . . . 77 ASN HD22 . 16082 1 1049 . 1 1 85 85 ASN C C 13 174.796 0.000 . 1 . . . . 77 ASN C . 16082 1 1050 . 1 1 85 85 ASN CA C 13 52.193 0.066 . 1 . . . . 77 ASN CA . 16082 1 1051 . 1 1 85 85 ASN CB C 13 39.702 0.063 . 1 . . . . 77 ASN CB . 16082 1 1052 . 1 1 85 85 ASN N N 15 109.430 0.039 . 1 . . . . 77 ASN N . 16082 1 1053 . 1 1 85 85 ASN ND2 N 15 113.249 0.211 . 1 . . . . 77 ASN ND2 . 16082 1 1054 . 1 1 86 86 ALA H H 1 8.681 0.003 . 1 . . . . 78 ALA H . 16082 1 1055 . 1 1 86 86 ALA HA H 1 4.195 0.004 . 1 . . . . 78 ALA HA . 16082 1 1056 . 1 1 86 86 ALA HB1 H 1 1.407 0.003 . 1 . . . . 78 ALA HB1 . 16082 1 1057 . 1 1 86 86 ALA HB2 H 1 1.407 0.003 . 1 . . . . 78 ALA HB2 . 16082 1 1058 . 1 1 86 86 ALA HB3 H 1 1.407 0.003 . 1 . . . . 78 ALA HB3 . 16082 1 1059 . 1 1 86 86 ALA C C 13 180.157 0.000 . 1 . . . . 78 ALA C . 16082 1 1060 . 1 1 86 86 ALA CA C 13 54.919 0.114 . 1 . . . . 78 ALA CA . 16082 1 1061 . 1 1 86 86 ALA CB C 13 18.721 0.060 . 1 . . . . 78 ALA CB . 16082 1 1062 . 1 1 86 86 ALA N N 15 121.886 0.052 . 1 . . . . 78 ALA N . 16082 1 1063 . 1 1 87 87 ALA H H 1 8.386 0.004 . 1 . . . . 79 ALA H . 16082 1 1064 . 1 1 87 87 ALA HA H 1 4.200 0.007 . 1 . . . . 79 ALA HA . 16082 1 1065 . 1 1 87 87 ALA HB1 H 1 1.470 0.002 . 1 . . . . 79 ALA HB1 . 16082 1 1066 . 1 1 87 87 ALA HB2 H 1 1.470 0.002 . 1 . . . . 79 ALA HB2 . 16082 1 1067 . 1 1 87 87 ALA HB3 H 1 1.470 0.002 . 1 . . . . 79 ALA HB3 . 16082 1 1068 . 1 1 87 87 ALA C C 13 181.167 0.000 . 1 . . . . 79 ALA C . 16082 1 1069 . 1 1 87 87 ALA CA C 13 55.195 0.096 . 1 . . . . 79 ALA CA . 16082 1 1070 . 1 1 87 87 ALA CB C 13 17.663 0.081 . 1 . . . . 79 ALA CB . 16082 1 1071 . 1 1 87 87 ALA N N 15 123.939 0.058 . 1 . . . . 79 ALA N . 16082 1 1072 . 1 1 88 88 GLU H H 1 8.743 0.004 . 1 . . . . 80 GLU H . 16082 1 1073 . 1 1 88 88 GLU HA H 1 4.260 0.005 . 1 . . . . 80 GLU HA . 16082 1 1074 . 1 1 88 88 GLU HB2 H 1 2.091 0.003 . 2 . . . . 80 GLU HB2 . 16082 1 1075 . 1 1 88 88 GLU HB3 H 1 2.321 0.005 . 2 . . . . 80 GLU HB3 . 16082 1 1076 . 1 1 88 88 GLU HG2 H 1 2.556 0.004 . 1 . . . . 80 GLU HG2 . 16082 1 1077 . 1 1 88 88 GLU HG3 H 1 2.556 0.004 . 1 . . . . 80 GLU HG3 . 16082 1 1078 . 1 1 88 88 GLU C C 13 178.848 0.000 . 1 . . . . 80 GLU C . 16082 1 1079 . 1 1 88 88 GLU CA C 13 59.191 0.059 . 1 . . . . 80 GLU CA . 16082 1 1080 . 1 1 88 88 GLU CB C 13 29.898 0.051 . 1 . . . . 80 GLU CB . 16082 1 1081 . 1 1 88 88 GLU CG C 13 36.804 0.047 . 1 . . . . 80 GLU CG . 16082 1 1082 . 1 1 88 88 GLU N N 15 119.694 0.044 . 1 . . . . 80 GLU N . 16082 1 1083 . 1 1 89 89 ARG H H 1 7.936 0.005 . 1 . . . . 81 ARG H . 16082 1 1084 . 1 1 89 89 ARG HA H 1 3.780 0.004 . 1 . . . . 81 ARG HA . 16082 1 1085 . 1 1 89 89 ARG HB2 H 1 1.717 0.006 . 2 . . . . 81 ARG HB2 . 16082 1 1086 . 1 1 89 89 ARG HB3 H 1 2.344 0.009 . 2 . . . . 81 ARG HB3 . 16082 1 1087 . 1 1 89 89 ARG C C 13 177.596 0.000 . 1 . . . . 81 ARG C . 16082 1 1088 . 1 1 89 89 ARG CA C 13 61.042 0.065 . 1 . . . . 81 ARG CA . 16082 1 1089 . 1 1 89 89 ARG CB C 13 29.630 0.067 . 1 . . . . 81 ARG CB . 16082 1 1090 . 1 1 89 89 ARG N N 15 119.080 0.043 . 1 . . . . 81 ARG N . 16082 1 1091 . 1 1 90 90 GLN H H 1 8.063 0.005 . 1 . . . . 82 GLN H . 16082 1 1092 . 1 1 90 90 GLN HA H 1 4.039 0.003 . 1 . . . . 82 GLN HA . 16082 1 1093 . 1 1 90 90 GLN HB2 H 1 2.253 0.002 . 1 . . . . 82 GLN HB2 . 16082 1 1094 . 1 1 90 90 GLN HB3 H 1 2.253 0.002 . 1 . . . . 82 GLN HB3 . 16082 1 1095 . 1 1 90 90 GLN HE21 H 1 6.849 0.004 . 1 . . . . 82 GLN HE21 . 16082 1 1096 . 1 1 90 90 GLN HE22 H 1 7.336 0.004 . 1 . . . . 82 GLN HE22 . 16082 1 1097 . 1 1 90 90 GLN HG2 H 1 2.492 0.010 . 2 . . . . 82 GLN HG2 . 16082 1 1098 . 1 1 90 90 GLN HG3 H 1 2.505 0.007 . 2 . . . . 82 GLN HG3 . 16082 1 1099 . 1 1 90 90 GLN C C 13 177.419 0.000 . 1 . . . . 82 GLN C . 16082 1 1100 . 1 1 90 90 GLN CA C 13 59.069 0.072 . 1 . . . . 82 GLN CA . 16082 1 1101 . 1 1 90 90 GLN CB C 13 27.786 0.075 . 1 . . . . 82 GLN CB . 16082 1 1102 . 1 1 90 90 GLN CG C 13 33.002 0.063 . 1 . . . . 82 GLN CG . 16082 1 1103 . 1 1 90 90 GLN N N 15 118.390 0.045 . 1 . . . . 82 GLN N . 16082 1 1104 . 1 1 90 90 GLN NE2 N 15 111.100 0.162 . 1 . . . . 82 GLN NE2 . 16082 1 1105 . 1 1 91 91 ARG H H 1 7.700 0.003 . 1 . . . . 83 ARG H . 16082 1 1106 . 1 1 91 91 ARG HA H 1 3.961 0.006 . 1 . . . . 83 ARG HA . 16082 1 1107 . 1 1 91 91 ARG HB2 H 1 1.804 0.005 . 2 . . . . 83 ARG HB2 . 16082 1 1108 . 1 1 91 91 ARG HB3 H 1 1.898 0.003 . 2 . . . . 83 ARG HB3 . 16082 1 1109 . 1 1 91 91 ARG HD2 H 1 3.198 0.003 . 1 . . . . 83 ARG HD2 . 16082 1 1110 . 1 1 91 91 ARG HD3 H 1 3.198 0.003 . 1 . . . . 83 ARG HD3 . 16082 1 1111 . 1 1 91 91 ARG HE H 1 7.410 0.001 . 1 . . . . 83 ARG HE . 16082 1 1112 . 1 1 91 91 ARG HG2 H 1 1.502 0.004 . 2 . . . . 83 ARG HG2 . 16082 1 1113 . 1 1 91 91 ARG HG3 H 1 1.777 0.002 . 2 . . . . 83 ARG HG3 . 16082 1 1114 . 1 1 91 91 ARG C C 13 180.016 0.000 . 1 . . . . 83 ARG C . 16082 1 1115 . 1 1 91 91 ARG CA C 13 59.750 0.066 . 1 . . . . 83 ARG CA . 16082 1 1116 . 1 1 91 91 ARG CB C 13 30.401 0.061 . 1 . . . . 83 ARG CB . 16082 1 1117 . 1 1 91 91 ARG CD C 13 43.671 0.062 . 1 . . . . 83 ARG CD . 16082 1 1118 . 1 1 91 91 ARG CG C 13 27.953 0.058 . 1 . . . . 83 ARG CG . 16082 1 1119 . 1 1 91 91 ARG N N 15 117.912 0.037 . 1 . . . . 83 ARG N . 16082 1 1120 . 1 1 91 91 ARG NE N 15 84.331 0.068 . 1 . . . . 83 ARG NE . 16082 1 1121 . 1 1 92 92 TRP H H 1 7.895 0.008 . 1 . . . . 84 TRP H . 16082 1 1122 . 1 1 92 92 TRP HA H 1 4.115 0.005 . 1 . . . . 84 TRP HA . 16082 1 1123 . 1 1 92 92 TRP HB2 H 1 2.895 0.004 . 2 . . . . 84 TRP HB2 . 16082 1 1124 . 1 1 92 92 TRP HB3 H 1 3.218 0.003 . 2 . . . . 84 TRP HB3 . 16082 1 1125 . 1 1 92 92 TRP HD1 H 1 7.249 0.009 . 1 . . . . 84 TRP HD1 . 16082 1 1126 . 1 1 92 92 TRP HE1 H 1 10.594 0.003 . 1 . . . . 84 TRP HE1 . 16082 1 1127 . 1 1 92 92 TRP HE3 H 1 7.124 0.004 . 1 . . . . 84 TRP HE3 . 16082 1 1128 . 1 1 92 92 TRP HZ2 H 1 6.648 0.009 . 1 . . . . 84 TRP HZ2 . 16082 1 1129 . 1 1 92 92 TRP HZ3 H 1 6.595 0.004 . 1 . . . . 84 TRP HZ3 . 16082 1 1130 . 1 1 92 92 TRP C C 13 178.111 0.000 . 1 . . . . 84 TRP C . 16082 1 1131 . 1 1 92 92 TRP CA C 13 61.633 0.066 . 1 . . . . 84 TRP CA . 16082 1 1132 . 1 1 92 92 TRP CB C 13 29.032 0.088 . 1 . . . . 84 TRP CB . 16082 1 1133 . 1 1 92 92 TRP CD1 C 13 124.957 0.044 . 1 . . . . 84 TRP CD1 . 16082 1 1134 . 1 1 92 92 TRP CE3 C 13 116.871 0.018 . 1 . . . . 84 TRP CE3 . 16082 1 1135 . 1 1 92 92 TRP CZ2 C 13 112.053 0.040 . 1 . . . . 84 TRP CZ2 . 16082 1 1136 . 1 1 92 92 TRP CZ3 C 13 119.237 0.000 . 1 . . . . 84 TRP CZ3 . 16082 1 1137 . 1 1 92 92 TRP N N 15 119.237 0.048 . 1 . . . . 84 TRP N . 16082 1 1138 . 1 1 92 92 TRP NE1 N 15 130.307 0.054 . 1 . . . . 84 TRP NE1 . 16082 1 1139 . 1 1 93 93 LEU H H 1 8.988 0.004 . 1 . . . . 85 LEU H . 16082 1 1140 . 1 1 93 93 LEU HA H 1 3.978 0.004 . 1 . . . . 85 LEU HA . 16082 1 1141 . 1 1 93 93 LEU HB2 H 1 1.509 0.004 . 2 . . . . 85 LEU HB2 . 16082 1 1142 . 1 1 93 93 LEU HB3 H 1 1.936 0.003 . 2 . . . . 85 LEU HB3 . 16082 1 1143 . 1 1 93 93 LEU HD11 H 1 0.864 0.003 . 2 . . . . 85 LEU HD11 . 16082 1 1144 . 1 1 93 93 LEU HD12 H 1 0.864 0.003 . 2 . . . . 85 LEU HD12 . 16082 1 1145 . 1 1 93 93 LEU HD13 H 1 0.864 0.003 . 2 . . . . 85 LEU HD13 . 16082 1 1146 . 1 1 93 93 LEU HD21 H 1 0.791 0.002 . 2 . . . . 85 LEU HD21 . 16082 1 1147 . 1 1 93 93 LEU HD22 H 1 0.791 0.002 . 2 . . . . 85 LEU HD22 . 16082 1 1148 . 1 1 93 93 LEU HD23 H 1 0.791 0.002 . 2 . . . . 85 LEU HD23 . 16082 1 1149 . 1 1 93 93 LEU HG H 1 1.866 0.003 . 1 . . . . 85 LEU HG . 16082 1 1150 . 1 1 93 93 LEU C C 13 180.925 0.000 . 1 . . . . 85 LEU C . 16082 1 1151 . 1 1 93 93 LEU CA C 13 58.716 0.073 . 1 . . . . 85 LEU CA . 16082 1 1152 . 1 1 93 93 LEU CB C 13 41.506 0.059 . 1 . . . . 85 LEU CB . 16082 1 1153 . 1 1 93 93 LEU CD1 C 13 23.758 0.102 . 2 . . . . 85 LEU CD1 . 16082 1 1154 . 1 1 93 93 LEU CD2 C 13 26.225 0.053 . 2 . . . . 85 LEU CD2 . 16082 1 1155 . 1 1 93 93 LEU CG C 13 26.695 0.090 . 1 . . . . 85 LEU CG . 16082 1 1156 . 1 1 93 93 LEU N N 15 119.853 0.047 . 1 . . . . 85 LEU N . 16082 1 1157 . 1 1 94 94 VAL H H 1 8.233 0.007 . 1 . . . . 86 VAL H . 16082 1 1158 . 1 1 94 94 VAL HA H 1 3.695 0.005 . 1 . . . . 86 VAL HA . 16082 1 1159 . 1 1 94 94 VAL HB H 1 2.085 0.003 . 1 . . . . 86 VAL HB . 16082 1 1160 . 1 1 94 94 VAL HG11 H 1 0.930 0.002 . 2 . . . . 86 VAL HG11 . 16082 1 1161 . 1 1 94 94 VAL HG12 H 1 0.930 0.002 . 2 . . . . 86 VAL HG12 . 16082 1 1162 . 1 1 94 94 VAL HG13 H 1 0.930 0.002 . 2 . . . . 86 VAL HG13 . 16082 1 1163 . 1 1 94 94 VAL HG21 H 1 1.101 0.002 . 2 . . . . 86 VAL HG21 . 16082 1 1164 . 1 1 94 94 VAL HG22 H 1 1.101 0.002 . 2 . . . . 86 VAL HG22 . 16082 1 1165 . 1 1 94 94 VAL HG23 H 1 1.101 0.002 . 2 . . . . 86 VAL HG23 . 16082 1 1166 . 1 1 94 94 VAL C C 13 178.733 0.000 . 1 . . . . 86 VAL C . 16082 1 1167 . 1 1 94 94 VAL CA C 13 66.250 0.057 . 1 . . . . 86 VAL CA . 16082 1 1168 . 1 1 94 94 VAL CB C 13 31.886 0.038 . 1 . . . . 86 VAL CB . 16082 1 1169 . 1 1 94 94 VAL CG1 C 13 20.937 0.055 . 2 . . . . 86 VAL CG1 . 16082 1 1170 . 1 1 94 94 VAL CG2 C 13 22.739 0.058 . 2 . . . . 86 VAL CG2 . 16082 1 1171 . 1 1 94 94 VAL N N 15 120.164 0.038 . 1 . . . . 86 VAL N . 16082 1 1172 . 1 1 95 95 ALA H H 1 7.345 0.007 . 1 . . . . 87 ALA H . 16082 1 1173 . 1 1 95 95 ALA HA H 1 4.113 0.006 . 1 . . . . 87 ALA HA . 16082 1 1174 . 1 1 95 95 ALA HB1 H 1 1.278 0.002 . 1 . . . . 87 ALA HB1 . 16082 1 1175 . 1 1 95 95 ALA HB2 H 1 1.278 0.002 . 1 . . . . 87 ALA HB2 . 16082 1 1176 . 1 1 95 95 ALA HB3 H 1 1.278 0.002 . 1 . . . . 87 ALA HB3 . 16082 1 1177 . 1 1 95 95 ALA C C 13 180.055 0.000 . 1 . . . . 87 ALA C . 16082 1 1178 . 1 1 95 95 ALA CA C 13 55.410 0.064 . 1 . . . . 87 ALA CA . 16082 1 1179 . 1 1 95 95 ALA CB C 13 18.816 0.075 . 1 . . . . 87 ALA CB . 16082 1 1180 . 1 1 95 95 ALA N N 15 123.818 0.035 . 1 . . . . 87 ALA N . 16082 1 1181 . 1 1 96 96 LEU H H 1 9.342 0.005 . 1 . . . . 88 LEU H . 16082 1 1182 . 1 1 96 96 LEU HA H 1 4.003 0.002 . 1 . . . . 88 LEU HA . 16082 1 1183 . 1 1 96 96 LEU HB2 H 1 1.391 0.003 . 2 . . . . 88 LEU HB2 . 16082 1 1184 . 1 1 96 96 LEU HB3 H 1 1.925 0.005 . 2 . . . . 88 LEU HB3 . 16082 1 1185 . 1 1 96 96 LEU HD11 H 1 0.813 0.003 . 2 . . . . 88 LEU HD11 . 16082 1 1186 . 1 1 96 96 LEU HD12 H 1 0.813 0.003 . 2 . . . . 88 LEU HD12 . 16082 1 1187 . 1 1 96 96 LEU HD13 H 1 0.813 0.003 . 2 . . . . 88 LEU HD13 . 16082 1 1188 . 1 1 96 96 LEU HD21 H 1 1.115 0.002 . 2 . . . . 88 LEU HD21 . 16082 1 1189 . 1 1 96 96 LEU HD22 H 1 1.115 0.002 . 2 . . . . 88 LEU HD22 . 16082 1 1190 . 1 1 96 96 LEU HD23 H 1 1.115 0.002 . 2 . . . . 88 LEU HD23 . 16082 1 1191 . 1 1 96 96 LEU HG H 1 2.296 0.004 . 1 . . . . 88 LEU HG . 16082 1 1192 . 1 1 96 96 LEU C C 13 179.349 0.000 . 1 . . . . 88 LEU C . 16082 1 1193 . 1 1 96 96 LEU CA C 13 57.786 0.077 . 1 . . . . 88 LEU CA . 16082 1 1194 . 1 1 96 96 LEU CB C 13 41.848 0.065 . 1 . . . . 88 LEU CB . 16082 1 1195 . 1 1 96 96 LEU CD1 C 13 26.105 0.082 . 2 . . . . 88 LEU CD1 . 16082 1 1196 . 1 1 96 96 LEU CD2 C 13 24.217 0.060 . 2 . . . . 88 LEU CD2 . 16082 1 1197 . 1 1 96 96 LEU CG C 13 26.844 0.079 . 1 . . . . 88 LEU CG . 16082 1 1198 . 1 1 96 96 LEU N N 15 117.857 0.044 . 1 . . . . 88 LEU N . 16082 1 1199 . 1 1 97 97 GLY H H 1 8.252 0.005 . 1 . . . . 89 GLY H . 16082 1 1200 . 1 1 97 97 GLY HA2 H 1 3.819 0.001 . 2 . . . . 89 GLY HA2 . 16082 1 1201 . 1 1 97 97 GLY HA3 H 1 3.948 0.004 . 2 . . . . 89 GLY HA3 . 16082 1 1202 . 1 1 97 97 GLY C C 13 176.463 0.000 . 1 . . . . 89 GLY C . 16082 1 1203 . 1 1 97 97 GLY CA C 13 46.620 0.068 . 1 . . . . 89 GLY CA . 16082 1 1204 . 1 1 97 97 GLY N N 15 105.618 0.040 . 1 . . . . 89 GLY N . 16082 1 1205 . 1 1 98 98 SER H H 1 8.068 0.005 . 1 . . . . 90 SER H . 16082 1 1206 . 1 1 98 98 SER HA H 1 4.377 0.002 . 1 . . . . 90 SER HA . 16082 1 1207 . 1 1 98 98 SER HB2 H 1 3.988 0.002 . 1 . . . . 90 SER HB2 . 16082 1 1208 . 1 1 98 98 SER HB3 H 1 3.988 0.002 . 1 . . . . 90 SER HB3 . 16082 1 1209 . 1 1 98 98 SER C C 13 176.144 0.000 . 1 . . . . 90 SER C . 16082 1 1210 . 1 1 98 98 SER CA C 13 60.842 0.091 . 1 . . . . 90 SER CA . 16082 1 1211 . 1 1 98 98 SER CB C 13 63.116 0.076 . 1 . . . . 90 SER CB . 16082 1 1212 . 1 1 98 98 SER N N 15 117.602 0.034 . 1 . . . . 90 SER N . 16082 1 1213 . 1 1 99 99 SER H H 1 8.036 0.005 . 1 . . . . 91 SER H . 16082 1 1214 . 1 1 99 99 SER HA H 1 4.324 0.007 . 1 . . . . 91 SER HA . 16082 1 1215 . 1 1 99 99 SER HB2 H 1 3.967 0.004 . 1 . . . . 91 SER HB2 . 16082 1 1216 . 1 1 99 99 SER HB3 H 1 3.967 0.004 . 1 . . . . 91 SER HB3 . 16082 1 1217 . 1 1 99 99 SER C C 13 175.818 0.000 . 1 . . . . 91 SER C . 16082 1 1218 . 1 1 99 99 SER CA C 13 60.720 0.159 . 1 . . . . 91 SER CA . 16082 1 1219 . 1 1 99 99 SER CB C 13 63.831 0.077 . 1 . . . . 91 SER CB . 16082 1 1220 . 1 1 99 99 SER N N 15 116.877 0.028 . 1 . . . . 91 SER N . 16082 1 1221 . 1 1 100 100 LYS H H 1 7.838 0.005 . 1 . . . . 92 LYS H . 16082 1 1222 . 1 1 100 100 LYS HA H 1 4.068 0.004 . 1 . . . . 92 LYS HA . 16082 1 1223 . 1 1 100 100 LYS HB2 H 1 1.803 0.007 . 2 . . . . 92 LYS HB2 . 16082 1 1224 . 1 1 100 100 LYS HB3 H 1 1.976 0.005 . 2 . . . . 92 LYS HB3 . 16082 1 1225 . 1 1 100 100 LYS HD2 H 1 1.727 0.010 . 2 . . . . 92 LYS HD2 . 16082 1 1226 . 1 1 100 100 LYS HD3 H 1 1.765 0.022 . 2 . . . . 92 LYS HD3 . 16082 1 1227 . 1 1 100 100 LYS HE2 H 1 2.884 0.001 . 2 . . . . 92 LYS HE2 . 16082 1 1228 . 1 1 100 100 LYS HE3 H 1 3.110 0.002 . 2 . . . . 92 LYS HE3 . 16082 1 1229 . 1 1 100 100 LYS HG2 H 1 1.388 0.006 . 2 . . . . 92 LYS HG2 . 16082 1 1230 . 1 1 100 100 LYS HG3 H 1 1.594 0.006 . 2 . . . . 92 LYS HG3 . 16082 1 1231 . 1 1 100 100 LYS C C 13 177.235 0.000 . 1 . . . . 92 LYS C . 16082 1 1232 . 1 1 100 100 LYS CA C 13 58.121 0.080 . 1 . . . . 92 LYS CA . 16082 1 1233 . 1 1 100 100 LYS CB C 13 32.263 0.059 . 1 . . . . 92 LYS CB . 16082 1 1234 . 1 1 100 100 LYS CD C 13 29.001 0.051 . 1 . . . . 92 LYS CD . 16082 1 1235 . 1 1 100 100 LYS CE C 13 42.085 0.077 . 1 . . . . 92 LYS CE . 16082 1 1236 . 1 1 100 100 LYS CG C 13 24.792 0.067 . 1 . . . . 92 LYS CG . 16082 1 1237 . 1 1 100 100 LYS N N 15 119.456 0.046 . 1 . . . . 92 LYS N . 16082 1 1238 . 1 1 101 101 ALA H H 1 7.924 0.002 . 1 . . . . 93 ALA H . 16082 1 1239 . 1 1 101 101 ALA HA H 1 4.321 0.003 . 1 . . . . 93 ALA HA . 16082 1 1240 . 1 1 101 101 ALA HB1 H 1 1.453 0.004 . 1 . . . . 93 ALA HB1 . 16082 1 1241 . 1 1 101 101 ALA HB2 H 1 1.453 0.004 . 1 . . . . 93 ALA HB2 . 16082 1 1242 . 1 1 101 101 ALA HB3 H 1 1.453 0.004 . 1 . . . . 93 ALA HB3 . 16082 1 1243 . 1 1 101 101 ALA C C 13 178.323 0.000 . 1 . . . . 93 ALA C . 16082 1 1244 . 1 1 101 101 ALA CA C 13 53.435 0.078 . 1 . . . . 93 ALA CA . 16082 1 1245 . 1 1 101 101 ALA CB C 13 18.969 0.064 . 1 . . . . 93 ALA CB . 16082 1 1246 . 1 1 101 101 ALA N N 15 122.054 0.039 . 1 . . . . 93 ALA N . 16082 1 1247 . 1 1 102 102 SER H H 1 8.061 0.004 . 1 . . . . 94 SER H . 16082 1 1248 . 1 1 102 102 SER HA H 1 4.451 0.008 . 1 . . . . 94 SER HA . 16082 1 1249 . 1 1 102 102 SER HB2 H 1 3.966 0.003 . 1 . . . . 94 SER HB2 . 16082 1 1250 . 1 1 102 102 SER HB3 H 1 3.966 0.003 . 1 . . . . 94 SER HB3 . 16082 1 1251 . 1 1 102 102 SER C C 13 174.773 0.000 . 1 . . . . 94 SER C . 16082 1 1252 . 1 1 102 102 SER CA C 13 59.086 0.055 . 1 . . . . 94 SER CA . 16082 1 1253 . 1 1 102 102 SER CB C 13 63.766 0.056 . 1 . . . . 94 SER CB . 16082 1 1254 . 1 1 102 102 SER N N 15 114.102 0.033 . 1 . . . . 94 SER N . 16082 1 1255 . 1 1 103 103 LEU H H 1 8.053 0.007 . 1 . . . . 95 LEU H . 16082 1 1256 . 1 1 103 103 LEU HA H 1 4.507 0.003 . 1 . . . . 95 LEU HA . 16082 1 1257 . 1 1 103 103 LEU HB2 H 1 1.652 0.003 . 2 . . . . 95 LEU HB2 . 16082 1 1258 . 1 1 103 103 LEU HB3 H 1 1.755 0.003 . 2 . . . . 95 LEU HB3 . 16082 1 1259 . 1 1 103 103 LEU HD11 H 1 0.892 0.002 . 2 . . . . 95 LEU HD11 . 16082 1 1260 . 1 1 103 103 LEU HD12 H 1 0.892 0.002 . 2 . . . . 95 LEU HD12 . 16082 1 1261 . 1 1 103 103 LEU HD13 H 1 0.892 0.002 . 2 . . . . 95 LEU HD13 . 16082 1 1262 . 1 1 103 103 LEU HD21 H 1 0.942 0.004 . 2 . . . . 95 LEU HD21 . 16082 1 1263 . 1 1 103 103 LEU HD22 H 1 0.942 0.004 . 2 . . . . 95 LEU HD22 . 16082 1 1264 . 1 1 103 103 LEU HD23 H 1 0.942 0.004 . 2 . . . . 95 LEU HD23 . 16082 1 1265 . 1 1 103 103 LEU HG H 1 1.765 0.005 . 1 . . . . 95 LEU HG . 16082 1 1266 . 1 1 103 103 LEU C C 13 177.589 0.000 . 1 . . . . 95 LEU C . 16082 1 1267 . 1 1 103 103 LEU CA C 13 55.398 0.052 . 1 . . . . 95 LEU CA . 16082 1 1268 . 1 1 103 103 LEU CB C 13 42.435 0.057 . 1 . . . . 95 LEU CB . 16082 1 1269 . 1 1 103 103 LEU CD1 C 13 23.472 0.093 . 2 . . . . 95 LEU CD1 . 16082 1 1270 . 1 1 103 103 LEU CD2 C 13 25.555 0.055 . 2 . . . . 95 LEU CD2 . 16082 1 1271 . 1 1 103 103 LEU CG C 13 26.968 0.079 . 1 . . . . 95 LEU CG . 16082 1 1272 . 1 1 103 103 LEU N N 15 123.264 0.057 . 1 . . . . 95 LEU N . 16082 1 1273 . 1 1 104 104 THR H H 1 8.045 0.006 . 1 . . . . 96 THR H . 16082 1 1274 . 1 1 104 104 THR HA H 1 4.383 0.006 . 1 . . . . 96 THR HA . 16082 1 1275 . 1 1 104 104 THR HB H 1 4.268 0.006 . 1 . . . . 96 THR HB . 16082 1 1276 . 1 1 104 104 THR HG21 H 1 1.219 0.003 . 1 . . . . 96 THR HG21 . 16082 1 1277 . 1 1 104 104 THR HG22 H 1 1.219 0.003 . 1 . . . . 96 THR HG22 . 16082 1 1278 . 1 1 104 104 THR HG23 H 1 1.219 0.003 . 1 . . . . 96 THR HG23 . 16082 1 1279 . 1 1 104 104 THR C C 13 174.128 0.000 . 1 . . . . 96 THR C . 16082 1 1280 . 1 1 104 104 THR CA C 13 61.982 0.070 . 1 . . . . 96 THR CA . 16082 1 1281 . 1 1 104 104 THR CB C 13 69.938 0.075 . 1 . . . . 96 THR CB . 16082 1 1282 . 1 1 104 104 THR CG2 C 13 21.634 0.101 . 1 . . . . 96 THR CG2 . 16082 1 1283 . 1 1 104 104 THR N N 15 113.833 0.091 . 1 . . . . 96 THR N . 16082 1 1284 . 1 1 105 105 ASP H H 1 8.346 0.002 . 1 . . . . 97 ASP H . 16082 1 1285 . 1 1 105 105 ASP HA H 1 4.740 0.004 . 1 . . . . 97 ASP HA . 16082 1 1286 . 1 1 105 105 ASP HB2 H 1 2.680 0.003 . 2 . . . . 97 ASP HB2 . 16082 1 1287 . 1 1 105 105 ASP HB3 H 1 2.786 0.002 . 2 . . . . 97 ASP HB3 . 16082 1 1288 . 1 1 105 105 ASP C C 13 176.310 0.000 . 1 . . . . 97 ASP C . 16082 1 1289 . 1 1 105 105 ASP CA C 13 54.300 0.029 . 1 . . . . 97 ASP CA . 16082 1 1290 . 1 1 105 105 ASP CB C 13 41.174 0.050 . 1 . . . . 97 ASP CB . 16082 1 1291 . 1 1 105 105 ASP N N 15 123.107 0.033 . 1 . . . . 97 ASP N . 16082 1 1292 . 1 1 106 106 THR H H 1 8.147 0.003 . 1 . . . . 98 THR H . 16082 1 1293 . 1 1 106 106 THR HA H 1 4.355 0.002 . 1 . . . . 98 THR HA . 16082 1 1294 . 1 1 106 106 THR HB H 1 4.276 0.006 . 1 . . . . 98 THR HB . 16082 1 1295 . 1 1 106 106 THR HG21 H 1 1.212 0.006 . 1 . . . . 98 THR HG21 . 16082 1 1296 . 1 1 106 106 THR HG22 H 1 1.212 0.006 . 1 . . . . 98 THR HG22 . 16082 1 1297 . 1 1 106 106 THR HG23 H 1 1.212 0.006 . 1 . . . . 98 THR HG23 . 16082 1 1298 . 1 1 106 106 THR C C 13 174.523 0.000 . 1 . . . . 98 THR C . 16082 1 1299 . 1 1 106 106 THR CA C 13 61.937 0.040 . 1 . . . . 98 THR CA . 16082 1 1300 . 1 1 106 106 THR CB C 13 69.656 0.068 . 1 . . . . 98 THR CB . 16082 1 1301 . 1 1 106 106 THR CG2 C 13 21.666 0.107 . 1 . . . . 98 THR CG2 . 16082 1 1302 . 1 1 106 106 THR N N 15 114.857 0.018 . 1 . . . . 98 THR N . 16082 1 1303 . 1 1 107 107 ARG H H 1 8.385 0.004 . 1 . . . . 99 ARG H . 16082 1 1304 . 1 1 107 107 ARG HA H 1 4.442 0.004 . 1 . . . . 99 ARG HA . 16082 1 1305 . 1 1 107 107 ARG HB2 H 1 1.837 0.004 . 2 . . . . 99 ARG HB2 . 16082 1 1306 . 1 1 107 107 ARG HB3 H 1 1.939 0.003 . 2 . . . . 99 ARG HB3 . 16082 1 1307 . 1 1 107 107 ARG HD2 H 1 3.216 0.013 . 1 . . . . 99 ARG HD2 . 16082 1 1308 . 1 1 107 107 ARG HD3 H 1 3.216 0.013 . 1 . . . . 99 ARG HD3 . 16082 1 1309 . 1 1 107 107 ARG HE H 1 7.370 0.001 . 1 . . . . 99 ARG HE . 16082 1 1310 . 1 1 107 107 ARG HG2 H 1 1.679 0.005 . 1 . . . . 99 ARG HG2 . 16082 1 1311 . 1 1 107 107 ARG HG3 H 1 1.679 0.005 . 1 . . . . 99 ARG HG3 . 16082 1 1312 . 1 1 107 107 ARG C C 13 175.764 0.000 . 1 . . . . 99 ARG C . 16082 1 1313 . 1 1 107 107 ARG CA C 13 56.311 0.072 . 1 . . . . 99 ARG CA . 16082 1 1314 . 1 1 107 107 ARG CB C 13 30.745 0.050 . 1 . . . . 99 ARG CB . 16082 1 1315 . 1 1 107 107 ARG CD C 13 43.423 0.073 . 1 . . . . 99 ARG CD . 16082 1 1316 . 1 1 107 107 ARG CG C 13 27.020 0.047 . 1 . . . . 99 ARG CG . 16082 1 1317 . 1 1 107 107 ARG N N 15 123.999 0.013 . 1 . . . . 99 ARG N . 16082 1 1318 . 1 1 107 107 ARG NE N 15 85.054 0.039 . 1 . . . . 99 ARG NE . 16082 1 1319 . 1 1 108 108 THR H H 1 7.832 0.003 . 1 . . . . 100 THR H . 16082 1 1320 . 1 1 108 108 THR HA H 1 4.162 0.003 . 1 . . . . 100 THR HA . 16082 1 1321 . 1 1 108 108 THR HB H 1 4.248 0.002 . 1 . . . . 100 THR HB . 16082 1 1322 . 1 1 108 108 THR HG21 H 1 1.170 0.002 . 1 . . . . 100 THR HG21 . 16082 1 1323 . 1 1 108 108 THR HG22 H 1 1.170 0.002 . 1 . . . . 100 THR HG22 . 16082 1 1324 . 1 1 108 108 THR HG23 H 1 1.170 0.002 . 1 . . . . 100 THR HG23 . 16082 1 1325 . 1 1 108 108 THR CA C 13 63.174 0.018 . 1 . . . . 100 THR CA . 16082 1 1326 . 1 1 108 108 THR CB C 13 70.741 0.073 . 1 . . . . 100 THR CB . 16082 1 1327 . 1 1 108 108 THR CG2 C 13 22.165 0.056 . 1 . . . . 100 THR CG2 . 16082 1 1328 . 1 1 108 108 THR N N 15 120.262 0.025 . 1 . . . . 100 THR N . 16082 1 stop_ save_