data_16114 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16114 _Entry.Title ; Solution structure of a Ubiquitin/UIM fusion protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-09 _Entry.Accession_date 2009-01-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nikolaos Sgourakis . G. . 16114 2 Mayank Patel . M. . 16114 3 Angel Garcia . E. . 16114 4 George Makhatadze . I. . 16114 5 Scott McCallum . A. . 16114 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'protein domain interface' . 16114 Ubiquitin . 16114 'Ubiquitin Interacting Motif' . 16114 UIM . 16114 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16114 RDCs 1 16114 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 324 16114 '15N chemical shifts' 105 16114 '1H chemical shifts' 684 16114 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-03-05 2009-01-09 upate BMRB 'completed entry citation' 16114 1 . . 2010-02-11 2009-01-09 original BMRB 'original release' 16114 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KDI 'BMRB Entry Tracking System' 16114 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16114 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20053359 _Citation.Full_citation . _Citation.Title 'Conformational dynamics and structural plasticity play critical roles in the ubiquitin recognition of a UIM domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 396 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1128 _Citation.Page_last 1144 _Citation.Year 2010 _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 Nikolaos Sgourakis . G. . 16114 1 2 Mayank Patel . M. . 16114 1 3 Angel Garcia . E. . 16114 1 4 George Makhatadze . I. . 16114 1 5 Scott McCallum . A. . 16114 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 16114 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Folding cooperativity and dynamics of a Ubiquitin/UIM fusion protein by NMR, DSC, CD, fluorescence experiments and MD simulations' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mayank Patel . M. . 16114 2 2 Nikolaos Sgourakis . G. . 16114 2 3 Werner Streicher . W. . 16114 2 4 Scott McCallum . A. . 16114 2 5 Angel Garcia . E. . 16114 2 6 George Makhatadze . I. . 16114 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16114 _Assembly.ID 1 _Assembly.Name 'Ubiquitin/UIM fusion protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Ubiquitin/UIM fusion protein' 1 $Ubiquitin_UIM_fusion_protein A . yes native no no . . . 16114 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ubiquitin_UIM_fusion_protein _Entity.Sf_category entity _Entity.Sf_framecode Ubiquitin_UIM_fusion_protein _Entity.Entry_ID 16114 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ubiquitin/UIM_fusion_protein _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 ; MHHHHHHGEFQIFAKTLTGK TITLEVESSDTIDNVKSKIQ DKEGIPPDQQRLIWAGKQLE DGRTLSDYNIQRESTLHLVL RLRGGSMGGAADEEELIRKA IELSLKESRNSGGY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KDI . "Solution Structure Of A UbiquitinUIM FUSION PROTEIN" . . . . . 99.12 114 100.00 100.00 9.13e-75 . . . . 16114 1 2 no DBJ BAO40007 . "ubiquitin-60S ribosomal protein L40 [Kluyveromyces marxianus DMKU3-1042]" . . . . . 61.40 133 97.14 100.00 8.77e-40 . . . . 16114 1 3 no EMBL CDO91688 . "unnamed protein product [Kluyveromyces dobzhanskii CBS 2104]" . . . . . 61.40 132 97.14 100.00 8.34e-40 . . . . 16114 1 4 no GB KGQ91175 . "ubiquitin-40S ribosomal protein S27b, partial [Candida albicans P37005]" . . . . . 60.53 70 97.10 100.00 7.04e-39 . . . . 16114 1 5 no GB KGR10456 . "polyubiquitin, partial [Candida albicans P78048]" . . . . . 60.53 70 97.10 100.00 7.04e-39 . . . . 16114 1 6 no GB KGT69098 . "ubiquitin-60S ribosomal protein L40, partial [Candida albicans 12C]" . . . . . 60.53 70 97.10 100.00 7.04e-39 . . . . 16114 1 7 no GB KGU29735 . "ubiquitin-60S ribosomal protein L40, partial [Candida albicans P75063]" . . . . . 60.53 70 97.10 100.00 7.04e-39 . . . . 16114 1 8 no GB KHC54981 . "polyubiquitin, partial [Candida albicans P37039]" . . . . . 60.53 70 97.10 100.00 7.04e-39 . . . . 16114 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16114 1 2 . HIS . 16114 1 3 . HIS . 16114 1 4 . HIS . 16114 1 5 . HIS . 16114 1 6 . HIS . 16114 1 7 . HIS . 16114 1 8 . GLY . 16114 1 9 . GLU . 16114 1 10 . PHE . 16114 1 11 . GLN . 16114 1 12 . ILE . 16114 1 13 . PHE . 16114 1 14 . ALA . 16114 1 15 . LYS . 16114 1 16 . THR . 16114 1 17 . LEU . 16114 1 18 . THR . 16114 1 19 . GLY . 16114 1 20 . LYS . 16114 1 21 . THR . 16114 1 22 . ILE . 16114 1 23 . THR . 16114 1 24 . LEU . 16114 1 25 . GLU . 16114 1 26 . VAL . 16114 1 27 . GLU . 16114 1 28 . SER . 16114 1 29 . SER . 16114 1 30 . ASP . 16114 1 31 . THR . 16114 1 32 . ILE . 16114 1 33 . ASP . 16114 1 34 . ASN . 16114 1 35 . VAL . 16114 1 36 . LYS . 16114 1 37 . SER . 16114 1 38 . LYS . 16114 1 39 . ILE . 16114 1 40 . GLN . 16114 1 41 . ASP . 16114 1 42 . LYS . 16114 1 43 . GLU . 16114 1 44 . GLY . 16114 1 45 . ILE . 16114 1 46 . PRO . 16114 1 47 . PRO . 16114 1 48 . ASP . 16114 1 49 . GLN . 16114 1 50 . GLN . 16114 1 51 . ARG . 16114 1 52 . LEU . 16114 1 53 . ILE . 16114 1 54 . TRP . 16114 1 55 . ALA . 16114 1 56 . GLY . 16114 1 57 . LYS . 16114 1 58 . GLN . 16114 1 59 . LEU . 16114 1 60 . GLU . 16114 1 61 . ASP . 16114 1 62 . GLY . 16114 1 63 . ARG . 16114 1 64 . THR . 16114 1 65 . LEU . 16114 1 66 . SER . 16114 1 67 . ASP . 16114 1 68 . TYR . 16114 1 69 . ASN . 16114 1 70 . ILE . 16114 1 71 . GLN . 16114 1 72 . ARG . 16114 1 73 . GLU . 16114 1 74 . SER . 16114 1 75 . THR . 16114 1 76 . LEU . 16114 1 77 . HIS . 16114 1 78 . LEU . 16114 1 79 . VAL . 16114 1 80 . LEU . 16114 1 81 . ARG . 16114 1 82 . LEU . 16114 1 83 . ARG . 16114 1 84 . GLY . 16114 1 85 . GLY . 16114 1 86 . SER . 16114 1 87 . MET . 16114 1 88 . GLY . 16114 1 89 . GLY . 16114 1 90 . ALA . 16114 1 91 . ALA . 16114 1 92 . ASP . 16114 1 93 . GLU . 16114 1 94 . GLU . 16114 1 95 . GLU . 16114 1 96 . LEU . 16114 1 97 . ILE . 16114 1 98 . ARG . 16114 1 99 . LYS . 16114 1 100 . ALA . 16114 1 101 . ILE . 16114 1 102 . GLU . 16114 1 103 . LEU . 16114 1 104 . SER . 16114 1 105 . LEU . 16114 1 106 . LYS . 16114 1 107 . GLU . 16114 1 108 . SER . 16114 1 109 . ARG . 16114 1 110 . ASN . 16114 1 111 . SER . 16114 1 112 . GLY . 16114 1 113 . GLY . 16114 1 114 . TYR . 16114 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16114 1 . HIS 2 2 16114 1 . HIS 3 3 16114 1 . HIS 4 4 16114 1 . HIS 5 5 16114 1 . HIS 6 6 16114 1 . HIS 7 7 16114 1 . GLY 8 8 16114 1 . GLU 9 9 16114 1 . PHE 10 10 16114 1 . GLN 11 11 16114 1 . ILE 12 12 16114 1 . PHE 13 13 16114 1 . ALA 14 14 16114 1 . LYS 15 15 16114 1 . THR 16 16 16114 1 . LEU 17 17 16114 1 . THR 18 18 16114 1 . GLY 19 19 16114 1 . LYS 20 20 16114 1 . THR 21 21 16114 1 . ILE 22 22 16114 1 . THR 23 23 16114 1 . LEU 24 24 16114 1 . GLU 25 25 16114 1 . VAL 26 26 16114 1 . GLU 27 27 16114 1 . SER 28 28 16114 1 . SER 29 29 16114 1 . ASP 30 30 16114 1 . THR 31 31 16114 1 . ILE 32 32 16114 1 . ASP 33 33 16114 1 . ASN 34 34 16114 1 . VAL 35 35 16114 1 . LYS 36 36 16114 1 . SER 37 37 16114 1 . LYS 38 38 16114 1 . ILE 39 39 16114 1 . GLN 40 40 16114 1 . ASP 41 41 16114 1 . LYS 42 42 16114 1 . GLU 43 43 16114 1 . GLY 44 44 16114 1 . ILE 45 45 16114 1 . PRO 46 46 16114 1 . PRO 47 47 16114 1 . ASP 48 48 16114 1 . GLN 49 49 16114 1 . GLN 50 50 16114 1 . ARG 51 51 16114 1 . LEU 52 52 16114 1 . ILE 53 53 16114 1 . TRP 54 54 16114 1 . ALA 55 55 16114 1 . GLY 56 56 16114 1 . LYS 57 57 16114 1 . GLN 58 58 16114 1 . LEU 59 59 16114 1 . GLU 60 60 16114 1 . ASP 61 61 16114 1 . GLY 62 62 16114 1 . ARG 63 63 16114 1 . THR 64 64 16114 1 . LEU 65 65 16114 1 . SER 66 66 16114 1 . ASP 67 67 16114 1 . TYR 68 68 16114 1 . ASN 69 69 16114 1 . ILE 70 70 16114 1 . GLN 71 71 16114 1 . ARG 72 72 16114 1 . GLU 73 73 16114 1 . SER 74 74 16114 1 . THR 75 75 16114 1 . LEU 76 76 16114 1 . HIS 77 77 16114 1 . LEU 78 78 16114 1 . VAL 79 79 16114 1 . LEU 80 80 16114 1 . ARG 81 81 16114 1 . LEU 82 82 16114 1 . ARG 83 83 16114 1 . GLY 84 84 16114 1 . GLY 85 85 16114 1 . SER 86 86 16114 1 . MET 87 87 16114 1 . GLY 88 88 16114 1 . GLY 89 89 16114 1 . ALA 90 90 16114 1 . ALA 91 91 16114 1 . ASP 92 92 16114 1 . GLU 93 93 16114 1 . GLU 94 94 16114 1 . GLU 95 95 16114 1 . LEU 96 96 16114 1 . ILE 97 97 16114 1 . ARG 98 98 16114 1 . LYS 99 99 16114 1 . ALA 100 100 16114 1 . ILE 101 101 16114 1 . GLU 102 102 16114 1 . LEU 103 103 16114 1 . SER 104 104 16114 1 . LEU 105 105 16114 1 . LYS 106 106 16114 1 . GLU 107 107 16114 1 . SER 108 108 16114 1 . ARG 109 109 16114 1 . ASN 110 110 16114 1 . SER 111 111 16114 1 . GLY 112 112 16114 1 . GLY 113 113 16114 1 . TYR 114 114 16114 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 16114 _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 $Ubiquitin_UIM_fusion_protein . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . 'engineered protein fusion construct: modified yeast Ubiquitin c-terminally linked to the UIM helix of Vps27' . . 16114 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 16114 _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 $Ubiquitin_UIM_fusion_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGIA . . . . . . 16114 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16114 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ubiquitin/UIM fusion protein' '[U-100% 13C; U-100% 15N]' . . 1 $Ubiquitin_UIM_fusion_protein . . 1.24 . . mM . . . . 16114 1 2 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16114 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16114 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16114 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16114 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16114 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16114 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ubiquitin/UIM fusion protein' '[U-100% 15N]' . . 1 $Ubiquitin_UIM_fusion_protein . . 1.1 . . mM . . . . 16114 2 2 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16114 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16114 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16114 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16114 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16114 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16114 _Sample.ID 3 _Sample.Type gel _Sample.Sub_type . _Sample.Details 'acrylamide/N,N'-methylenebisacrylamide gel 83:1' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ubiquitin/UIM fusion protein' '[U-100% 15N]' . . 1 $Ubiquitin_UIM_fusion_protein . . 0.5 . . mM . . . . 16114 3 2 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16114 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16114 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16114 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16114 3 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16114 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16114 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.103 . M 16114 1 pH 6 . pH 16114 1 pressure 1 . atm 16114 1 temperature 300 . K 16114 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16114 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16114 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16114 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16114 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.111 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16114 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16114 2 'data analysis' 16114 2 'peak picking' 16114 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 16114 _Software.ID 3 _Software.Name X-PLOR _Software.Version 2.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 16114 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16114 3 'geometry optimization' 16114 3 refinement 16114 3 'structure solution' 16114 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16114 _Software.ID 4 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16114 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16114 4 'structure solution' 16114 4 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 16114 _Software.ID 5 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Markus Zweckstetter and Ad Bax' . . 16114 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16114 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16114 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16114 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16114 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16114 1 2 spectrometer_2 Bruker Avance . 600 . . . 16114 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 16114 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 10 '2D HN-IPAP' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16114 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 13 '3D (H)C(CCO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16114 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16114 1 15 '2D HN-IPAP' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16114 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 16114 _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 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251441449530 . . . . . . . . . 16114 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 16114 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 16114 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 16114 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16114 1 2 '2D 1H-13C HSQC' . . . 16114 1 8 '3D HNCO' . . . 16114 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 3 3 HIS HB2 H 1 2.061 0.000 . 2 . . . . 3 H HB2 . 16114 1 2 . 1 1 3 3 HIS CB C 13 33.709 0.000 . 1 . . . . 3 H CB . 16114 1 3 . 1 1 7 7 HIS H H 1 8.731 0.000 . 1 . . . . 7 H H . 16114 1 4 . 1 1 7 7 HIS HA H 1 4.564 0.000 . 1 . . . . 7 H HA . 16114 1 5 . 1 1 7 7 HIS HB2 H 1 3.171 0.000 . 2 . . . . 7 H HB2 . 16114 1 6 . 1 1 7 7 HIS HB3 H 1 3.141 0.000 . 2 . . . . 7 H HB3 . 16114 1 7 . 1 1 7 7 HIS CA C 13 53.649 0.000 . 1 . . . . 7 H CA . 16114 1 8 . 1 1 7 7 HIS CB C 13 26.268 0.003 . 1 . . . . 7 H CB . 16114 1 9 . 1 1 7 7 HIS N N 15 121.126 0.000 . 1 . . . . 7 H N . 16114 1 10 . 1 1 8 8 GLY H H 1 8.540 0.000 . 1 . . . . 8 G H . 16114 1 11 . 1 1 8 8 GLY HA2 H 1 3.973 0.000 . 2 . . . . 8 G HA2 . 16114 1 12 . 1 1 8 8 GLY HA3 H 1 3.811 0.000 . 2 . . . . 8 G HA3 . 16114 1 13 . 1 1 8 8 GLY CA C 13 42.618 0.009 . 1 . . . . 8 G CA . 16114 1 14 . 1 1 8 8 GLY N N 15 110.662 0.000 . 1 . . . . 8 G N . 16114 1 15 . 1 1 9 9 GLU H H 1 8.239 0.000 . 1 . . . . 9 E H . 16114 1 16 . 1 1 9 9 GLU HA H 1 4.568 0.000 . 1 . . . . 9 E HA . 16114 1 17 . 1 1 9 9 GLU HB2 H 1 2.123 0.000 . 2 . . . . 9 E HB2 . 16114 1 18 . 1 1 9 9 GLU CA C 13 53.605 0.000 . 1 . . . . 9 E CA . 16114 1 19 . 1 1 9 9 GLU CB C 13 28.019 0.000 . 1 . . . . 9 E CB . 16114 1 20 . 1 1 9 9 GLU N N 15 121.669 0.000 . 1 . . . . 9 E N . 16114 1 21 . 1 1 10 10 PHE H H 1 8.785 0.000 . 1 . . . . 10 F H . 16114 1 22 . 1 1 10 10 PHE HA H 1 4.850 0.000 . 1 . . . . 10 F HA . 16114 1 23 . 1 1 10 10 PHE HB2 H 1 3.085 0.000 . 2 . . . . 10 F HB2 . 16114 1 24 . 1 1 10 10 PHE HB3 H 1 3.030 0.000 . 2 . . . . 10 F HB3 . 16114 1 25 . 1 1 10 10 PHE CA C 13 52.630 0.000 . 1 . . . . 10 F CA . 16114 1 26 . 1 1 10 10 PHE CB C 13 37.906 0.016 . 1 . . . . 10 F CB . 16114 1 27 . 1 1 10 10 PHE N N 15 118.401 0.000 . 1 . . . . 10 F N . 16114 1 28 . 1 1 11 11 GLN H H 1 8.552 0.030 . 1 . . . . 11 Q H . 16114 1 29 . 1 1 11 11 GLN HA H 1 5.425 0.000 . 1 . . . . 11 Q HA . 16114 1 30 . 1 1 11 11 GLN HB2 H 1 1.807 0.000 . 2 . . . . 11 Q HB2 . 16114 1 31 . 1 1 11 11 GLN HB3 H 1 1.684 0.000 . 2 . . . . 11 Q HB3 . 16114 1 32 . 1 1 11 11 GLN HG2 H 1 2.176 0.000 . 2 . . . . 11 Q HG2 . 16114 1 33 . 1 1 11 11 GLN HG3 H 1 1.906 0.000 . 2 . . . . 11 Q HG3 . 16114 1 34 . 1 1 11 11 GLN CA C 13 51.663 0.000 . 1 . . . . 11 Q CA . 16114 1 35 . 1 1 11 11 GLN CB C 13 28.427 0.002 . 1 . . . . 11 Q CB . 16114 1 36 . 1 1 11 11 GLN CG C 13 31.748 0.003 . 1 . . . . 11 Q CG . 16114 1 37 . 1 1 11 11 GLN N N 15 117.519 0.016 . 1 . . . . 11 Q N . 16114 1 38 . 1 1 12 12 ILE H H 1 8.239 0.000 . 1 . . . . 12 I H . 16114 1 39 . 1 1 12 12 ILE HA H 1 4.103 0.000 . 1 . . . . 12 I HA . 16114 1 40 . 1 1 12 12 ILE HB H 1 1.819 0.000 . 1 . . . . 12 I HB . 16114 1 41 . 1 1 12 12 ILE HD11 H 1 0.528 0.000 . . . . . . 12 I QD1 . 16114 1 42 . 1 1 12 12 ILE HD12 H 1 0.528 0.000 . . . . . . 12 I QD1 . 16114 1 43 . 1 1 12 12 ILE HD13 H 1 0.528 0.000 . . . . . . 12 I QD1 . 16114 1 44 . 1 1 12 12 ILE HG12 H 1 0.942 0.000 . 2 . . . . 12 I HG12 . 16114 1 45 . 1 1 12 12 ILE HG13 H 1 0.941 0.000 . 2 . . . . 12 I HG13 . 16114 1 46 . 1 1 12 12 ILE HG21 H 1 0.797 0.000 . . . . . . 12 I QG2 . 16114 1 47 . 1 1 12 12 ILE HG22 H 1 0.797 0.000 . . . . . . 12 I QG2 . 16114 1 48 . 1 1 12 12 ILE HG23 H 1 0.797 0.000 . . . . . . 12 I QG2 . 16114 1 49 . 1 1 12 12 ILE CA C 13 57.134 0.000 . 1 . . . . 12 I CA . 16114 1 50 . 1 1 12 12 ILE CB C 13 39.491 0.000 . 1 . . . . 12 I CB . 16114 1 51 . 1 1 12 12 ILE CD1 C 13 11.638 0.000 . 1 . . . . 12 I CD1 . 16114 1 52 . 1 1 12 12 ILE CG1 C 13 22.124 0.004 . 1 . . . . 12 I CG1 . 16114 1 53 . 1 1 12 12 ILE CG2 C 13 15.951 0.000 . 1 . . . . 12 I CG2 . 16114 1 54 . 1 1 12 12 ILE N N 15 114.043 0.000 . 1 . . . . 12 I N . 16114 1 55 . 1 1 13 13 PHE H H 1 8.538 0.000 . 1 . . . . 13 F H . 16114 1 56 . 1 1 13 13 PHE HA H 1 5.620 0.000 . 1 . . . . 13 F HA . 16114 1 57 . 1 1 13 13 PHE HB2 H 1 2.832 0.000 . 2 . . . . 13 F HB2 . 16114 1 58 . 1 1 13 13 PHE HB3 H 1 2.763 0.000 . 2 . . . . 13 F HB3 . 16114 1 59 . 1 1 13 13 PHE CA C 13 52.438 0.000 . 1 . . . . 13 F CA . 16114 1 60 . 1 1 13 13 PHE CB C 13 39.253 0.000 . 1 . . . . 13 F CB . 16114 1 61 . 1 1 13 13 PHE N N 15 117.015 0.000 . 1 . . . . 13 F N . 16114 1 62 . 1 1 14 14 ALA H H 1 9.238 0.000 . 1 . . . . 14 A H . 16114 1 63 . 1 1 14 14 ALA HA H 1 5.311 0.000 . 1 . . . . 14 A HA . 16114 1 64 . 1 1 14 14 ALA HB1 H 1 1.011 0.000 . . . . . . 14 A QB . 16114 1 65 . 1 1 14 14 ALA HB2 H 1 1.011 0.000 . . . . . . 14 A QB . 16114 1 66 . 1 1 14 14 ALA HB3 H 1 1.011 0.000 . . . . . . 14 A QB . 16114 1 67 . 1 1 14 14 ALA CA C 13 47.183 0.000 . 1 . . . . 14 A CA . 16114 1 68 . 1 1 14 14 ALA CB C 13 17.811 0.000 . 1 . . . . 14 A CB . 16114 1 69 . 1 1 14 14 ALA N N 15 123.503 0.000 . 1 . . . . 14 A N . 16114 1 70 . 1 1 15 15 LYS H H 1 8.810 0.000 . 1 . . . . 15 K H . 16114 1 71 . 1 1 15 15 LYS HA H 1 5.511 0.000 . 1 . . . . 15 K HA . 16114 1 72 . 1 1 15 15 LYS HB2 H 1 1.496 0.000 . 2 . . . . 15 K HB2 . 16114 1 73 . 1 1 15 15 LYS HB3 H 1 1.221 0.000 . 2 . . . . 15 K HB3 . 16114 1 74 . 1 1 15 15 LYS HD2 H 1 1.160 0.000 . 2 . . . . 15 K HD2 . 16114 1 75 . 1 1 15 15 LYS HD3 H 1 1.461 0.000 . 2 . . . . 15 K HD3 . 16114 1 76 . 1 1 15 15 LYS HE2 H 1 2.771 0.000 . 2 . . . . 15 K HE2 . 16114 1 77 . 1 1 15 15 LYS HE3 H 1 2.746 0.000 . 2 . . . . 15 K HE3 . 16114 1 78 . 1 1 15 15 LYS HG2 H 1 1.161 0.000 . 2 . . . . 15 K HG2 . 16114 1 79 . 1 1 15 15 LYS HG3 H 1 1.446 0.000 . 2 . . . . 15 K HG3 . 16114 1 80 . 1 1 15 15 LYS CA C 13 51.718 0.000 . 1 . . . . 15 K CA . 16114 1 81 . 1 1 15 15 LYS CB C 13 33.635 0.003 . 1 . . . . 15 K CB . 16114 1 82 . 1 1 15 15 LYS CD C 13 26.993 0.000 . 1 . . . . 15 K CD . 16114 1 83 . 1 1 15 15 LYS CE C 13 38.959 0.008 . 1 . . . . 15 K CE . 16114 1 84 . 1 1 15 15 LYS CG C 13 22.120 0.005 . 1 . . . . 15 K CG . 16114 1 85 . 1 1 15 15 LYS N N 15 123.382 0.000 . 1 . . . . 15 K N . 16114 1 86 . 1 1 16 16 THR H H 1 8.830 0.000 . 1 . . . . 16 T H . 16114 1 87 . 1 1 16 16 THR HA H 1 5.212 0.000 . 1 . . . . 16 T HA . 16114 1 88 . 1 1 16 16 THR HB H 1 4.831 0.000 . 1 . . . . 16 T HB . 16114 1 89 . 1 1 16 16 THR HG21 H 1 1.161 0.000 . . . . . . 16 T QG2 . 16114 1 90 . 1 1 16 16 THR HG22 H 1 1.161 0.000 . . . . . . 16 T QG2 . 16114 1 91 . 1 1 16 16 THR HG23 H 1 1.161 0.000 . . . . . . 16 T QG2 . 16114 1 92 . 1 1 16 16 THR CA C 13 57.614 0.000 . 1 . . . . 16 T CA . 16114 1 93 . 1 1 16 16 THR CB C 13 68.210 0.000 . 1 . . . . 16 T CB . 16114 1 94 . 1 1 16 16 THR CG2 C 13 18.719 0.000 . 1 . . . . 16 T CG2 . 16114 1 95 . 1 1 16 16 THR N N 15 116.517 0.000 . 1 . . . . 16 T N . 16114 1 96 . 1 1 17 17 LEU H H 1 9.428 0.000 . 1 . . . . 17 L H . 16114 1 97 . 1 1 17 17 LEU HA H 1 4.286 0.000 . 1 . . . . 17 L HA . 16114 1 98 . 1 1 17 17 LEU HB2 H 1 1.855 0.000 . 2 . . . . 17 L HB2 . 16114 1 99 . 1 1 17 17 LEU HB3 H 1 1.729 0.000 . 2 . . . . 17 L HB3 . 16114 1 100 . 1 1 17 17 LEU HD11 H 1 1.025 0.000 . . . . . . 17 L QD1 . 16114 1 101 . 1 1 17 17 LEU HD12 H 1 1.025 0.000 . . . . . . 17 L QD1 . 16114 1 102 . 1 1 17 17 LEU HD13 H 1 1.025 0.000 . . . . . . 17 L QD1 . 16114 1 103 . 1 1 17 17 LEU HD21 H 1 0.888 0.000 . . . . . . 17 L QD2 . 16114 1 104 . 1 1 17 17 LEU HD22 H 1 0.888 0.000 . . . . . . 17 L QD2 . 16114 1 105 . 1 1 17 17 LEU HD23 H 1 0.888 0.000 . . . . . . 17 L QD2 . 16114 1 106 . 1 1 17 17 LEU HG H 1 1.834 0.000 . 1 . . . . 17 L HG . 16114 1 107 . 1 1 17 17 LEU CA C 13 54.504 0.000 . 1 . . . . 17 L CA . 16114 1 108 . 1 1 17 17 LEU CB C 13 38.564 0.008 . 1 . . . . 17 L CB . 16114 1 109 . 1 1 17 17 LEU CD1 C 13 23.393 0.000 . 2 . . . . 17 L CD1 . 16114 1 110 . 1 1 17 17 LEU CD2 C 13 21.295 0.000 . 2 . . . . 17 L CD2 . 16114 1 111 . 1 1 17 17 LEU CG C 13 25.387 0.000 . 1 . . . . 17 L CG . 16114 1 112 . 1 1 17 17 LEU N N 15 121.786 0.000 . 1 . . . . 17 L N . 16114 1 113 . 1 1 18 18 THR H H 1 7.546 0.000 . 1 . . . . 18 T H . 16114 1 114 . 1 1 18 18 THR HA H 1 4.391 0.000 . 1 . . . . 18 T HA . 16114 1 115 . 1 1 18 18 THR HB H 1 4.539 0.000 . 1 . . . . 18 T HB . 16114 1 116 . 1 1 18 18 THR HG21 H 1 1.169 0.000 . . . . . . 18 T QG2 . 16114 1 117 . 1 1 18 18 THR HG22 H 1 1.169 0.000 . . . . . . 18 T QG2 . 16114 1 118 . 1 1 18 18 THR HG23 H 1 1.169 0.000 . . . . . . 18 T QG2 . 16114 1 119 . 1 1 18 18 THR CA C 13 58.524 0.000 . 1 . . . . 18 T CA . 16114 1 120 . 1 1 18 18 THR CB C 13 66.166 0.000 . 1 . . . . 18 T CB . 16114 1 121 . 1 1 18 18 THR CG2 C 13 19.140 0.000 . 1 . . . . 18 T CG2 . 16114 1 122 . 1 1 18 18 THR N N 15 105.598 0.000 . 1 . . . . 18 T N . 16114 1 123 . 1 1 19 19 GLY H H 1 7.683 0.000 . 1 . . . . 19 G H . 16114 1 124 . 1 1 19 19 GLY HA2 H 1 3.300 0.000 . 2 . . . . 19 G HA2 . 16114 1 125 . 1 1 19 19 GLY HA3 H 1 4.248 0.000 . 2 . . . . 19 G HA3 . 16114 1 126 . 1 1 19 19 GLY CA C 13 42.947 0.127 . 1 . . . . 19 G CA . 16114 1 127 . 1 1 19 19 GLY N N 15 109.243 0.000 . 1 . . . . 19 G N . 16114 1 128 . 1 1 20 20 LYS H H 1 7.375 0.000 . 1 . . . . 20 K H . 16114 1 129 . 1 1 20 20 LYS HA H 1 4.331 0.000 . 1 . . . . 20 K HA . 16114 1 130 . 1 1 20 20 LYS HB2 H 1 1.798 0.000 . 2 . . . . 20 K HB2 . 16114 1 131 . 1 1 20 20 LYS HB3 H 1 1.641 0.000 . 2 . . . . 20 K HB3 . 16114 1 132 . 1 1 20 20 LYS HD2 H 1 1.543 0.000 . 2 . . . . 20 K HD2 . 16114 1 133 . 1 1 20 20 LYS HD3 H 1 1.324 0.000 . 2 . . . . 20 K HD3 . 16114 1 134 . 1 1 20 20 LYS HE2 H 1 2.848 0.000 . 2 . . . . 20 K HE2 . 16114 1 135 . 1 1 20 20 LYS HE3 H 1 2.837 0.000 . 2 . . . . 20 K HE3 . 16114 1 136 . 1 1 20 20 LYS HG2 H 1 1.323 0.000 . 2 . . . . 20 K HG2 . 16114 1 137 . 1 1 20 20 LYS HG3 H 1 1.172 0.000 . 2 . . . . 20 K HG3 . 16114 1 138 . 1 1 20 20 LYS CA C 13 53.829 0.000 . 1 . . . . 20 K CA . 16114 1 139 . 1 1 20 20 LYS CB C 13 30.385 0.003 . 1 . . . . 20 K CB . 16114 1 140 . 1 1 20 20 LYS CD C 13 26.424 0.001 . 1 . . . . 20 K CD . 16114 1 141 . 1 1 20 20 LYS CE C 13 39.035 0.001 . 1 . . . . 20 K CE . 16114 1 142 . 1 1 20 20 LYS CG C 13 22.363 0.011 . 1 . . . . 20 K CG . 16114 1 143 . 1 1 20 20 LYS N N 15 122.757 0.000 . 1 . . . . 20 K N . 16114 1 144 . 1 1 21 21 THR H H 1 8.637 0.000 . 1 . . . . 21 T H . 16114 1 145 . 1 1 21 21 THR HA H 1 4.852 0.000 . 1 . . . . 21 T HA . 16114 1 146 . 1 1 21 21 THR HB H 1 3.876 0.000 . 1 . . . . 21 T HB . 16114 1 147 . 1 1 21 21 THR HG21 H 1 0.995 0.000 . . . . . . 21 T QG2 . 16114 1 148 . 1 1 21 21 THR HG22 H 1 0.995 0.000 . . . . . . 21 T QG2 . 16114 1 149 . 1 1 21 21 THR HG23 H 1 0.995 0.000 . . . . . . 21 T QG2 . 16114 1 150 . 1 1 21 21 THR CA C 13 59.846 0.000 . 1 . . . . 21 T CA . 16114 1 151 . 1 1 21 21 THR CB C 13 67.140 0.000 . 1 . . . . 21 T CB . 16114 1 152 . 1 1 21 21 THR CG2 C 13 19.290 0.000 . 1 . . . . 21 T CG2 . 16114 1 153 . 1 1 21 21 THR N N 15 121.524 0.000 . 1 . . . . 21 T N . 16114 1 154 . 1 1 22 22 ILE H H 1 9.509 0.000 . 1 . . . . 22 I H . 16114 1 155 . 1 1 22 22 ILE HA H 1 4.349 0.000 . 1 . . . . 22 I HA . 16114 1 156 . 1 1 22 22 ILE HB H 1 1.806 0.000 . 1 . . . . 22 I HB . 16114 1 157 . 1 1 22 22 ILE HD11 H 1 0.658 0.000 . . . . . . 22 I QD1 . 16114 1 158 . 1 1 22 22 ILE HD12 H 1 0.658 0.000 . . . . . . 22 I QD1 . 16114 1 159 . 1 1 22 22 ILE HD13 H 1 0.658 0.000 . . . . . . 22 I QD1 . 16114 1 160 . 1 1 22 22 ILE HG12 H 1 1.439 0.000 . 2 . . . . 22 I HG12 . 16114 1 161 . 1 1 22 22 ILE HG13 H 1 1.003 0.000 . 2 . . . . 22 I HG13 . 16114 1 162 . 1 1 22 22 ILE HG21 H 1 0.853 0.000 . . . . . . 22 I QG2 . 16114 1 163 . 1 1 22 22 ILE HG22 H 1 0.853 0.000 . . . . . . 22 I QG2 . 16114 1 164 . 1 1 22 22 ILE HG23 H 1 0.853 0.000 . . . . . . 22 I QG2 . 16114 1 165 . 1 1 22 22 ILE CA C 13 57.634 0.000 . 1 . . . . 22 I CA . 16114 1 166 . 1 1 22 22 ILE CB C 13 38.334 0.000 . 1 . . . . 22 I CB . 16114 1 167 . 1 1 22 22 ILE CD1 C 13 12.352 0.000 . 1 . . . . 22 I CD1 . 16114 1 168 . 1 1 22 22 ILE CG1 C 13 24.690 0.009 . 1 . . . . 22 I CG1 . 16114 1 169 . 1 1 22 22 ILE CG2 C 13 15.420 0.000 . 1 . . . . 22 I CG2 . 16114 1 170 . 1 1 22 22 ILE N N 15 129.772 0.000 . 1 . . . . 22 I N . 16114 1 171 . 1 1 23 23 THR H H 1 8.838 0.000 . 1 . . . . 23 T H . 16114 1 172 . 1 1 23 23 THR HA H 1 4.653 0.000 . 1 . . . . 23 T HA . 16114 1 173 . 1 1 23 23 THR HB H 1 3.971 0.000 . 1 . . . . 23 T HB . 16114 1 174 . 1 1 23 23 THR HG21 H 1 1.071 0.000 . . . . . . 23 T QG2 . 16114 1 175 . 1 1 23 23 THR HG22 H 1 1.071 0.000 . . . . . . 23 T QG2 . 16114 1 176 . 1 1 23 23 THR HG23 H 1 1.071 0.000 . . . . . . 23 T QG2 . 16114 1 177 . 1 1 23 23 THR CA C 13 60.194 0.000 . 1 . . . . 23 T CA . 16114 1 178 . 1 1 23 23 THR CB C 13 66.577 0.000 . 1 . . . . 23 T CB . 16114 1 179 . 1 1 23 23 THR CG2 C 13 19.213 0.000 . 1 . . . . 23 T CG2 . 16114 1 180 . 1 1 23 23 THR N N 15 124.070 0.000 . 1 . . . . 23 T N . 16114 1 181 . 1 1 24 24 LEU H H 1 8.749 0.000 . 1 . . . . 24 L H . 16114 1 182 . 1 1 24 24 LEU HA H 1 4.619 0.000 . 1 . . . . 24 L HA . 16114 1 183 . 1 1 24 24 LEU HB2 H 1 0.967 0.000 . 2 . . . . 24 L HB2 . 16114 1 184 . 1 1 24 24 LEU HB3 H 1 1.352 0.000 . 2 . . . . 24 L HB3 . 16114 1 185 . 1 1 24 24 LEU HD11 H 1 0.641 0.000 . . . . . . 24 L QD1 . 16114 1 186 . 1 1 24 24 LEU HD12 H 1 0.641 0.000 . . . . . . 24 L QD1 . 16114 1 187 . 1 1 24 24 LEU HD13 H 1 0.641 0.000 . . . . . . 24 L QD1 . 16114 1 188 . 1 1 24 24 LEU HD21 H 1 0.594 0.000 . . . . . . 24 L QD2 . 16114 1 189 . 1 1 24 24 LEU HD22 H 1 0.594 0.000 . . . . . . 24 L QD2 . 16114 1 190 . 1 1 24 24 LEU HD23 H 1 0.594 0.000 . . . . . . 24 L QD2 . 16114 1 191 . 1 1 24 24 LEU HG H 1 0.558 0.000 . 1 . . . . 24 L HG . 16114 1 192 . 1 1 24 24 LEU CA C 13 50.257 0.000 . 1 . . . . 24 L CA . 16114 1 193 . 1 1 24 24 LEU CB C 13 42.932 0.006 . 1 . . . . 24 L CB . 16114 1 194 . 1 1 24 24 LEU CD1 C 13 21.301 0.000 . 2 . . . . 24 L CD1 . 16114 1 195 . 1 1 24 24 LEU CD2 C 13 23.438 0.000 . 2 . . . . 24 L CD2 . 16114 1 196 . 1 1 24 24 LEU CG C 13 22.322 0.000 . 1 . . . . 24 L CG . 16114 1 197 . 1 1 24 24 LEU N N 15 126.499 0.000 . 1 . . . . 24 L N . 16114 1 198 . 1 1 25 25 GLU H H 1 7.990 0.000 . 1 . . . . 25 E H . 16114 1 199 . 1 1 25 25 GLU HA H 1 4.591 0.000 . 1 . . . . 25 E HA . 16114 1 200 . 1 1 25 25 GLU HB2 H 1 1.787 0.000 . 2 . . . . 25 E HB2 . 16114 1 201 . 1 1 25 25 GLU HB3 H 1 1.711 0.000 . 2 . . . . 25 E HB3 . 16114 1 202 . 1 1 25 25 GLU HG2 H 1 2.074 0.000 . 2 . . . . 25 E HG2 . 16114 1 203 . 1 1 25 25 GLU HG3 H 1 1.789 0.000 . 2 . . . . 25 E HG3 . 16114 1 204 . 1 1 25 25 GLU CA C 13 52.845 0.000 . 1 . . . . 25 E CA . 16114 1 205 . 1 1 25 25 GLU CB C 13 27.210 0.004 . 1 . . . . 25 E CB . 16114 1 206 . 1 1 25 25 GLU CG C 13 33.384 0.004 . 1 . . . . 25 E CG . 16114 1 207 . 1 1 25 25 GLU N N 15 121.644 0.000 . 1 . . . . 25 E N . 16114 1 208 . 1 1 26 26 VAL H H 1 8.657 0.000 . 1 . . . . 26 V H . 16114 1 209 . 1 1 26 26 VAL HA H 1 4.403 0.000 . 1 . . . . 26 V HA . 16114 1 210 . 1 1 26 26 VAL HB H 1 1.957 0.000 . 1 . . . . 26 V HB . 16114 1 211 . 1 1 26 26 VAL HG11 H 1 0.452 0.000 . . . . . . 26 V QG1 . 16114 1 212 . 1 1 26 26 VAL HG12 H 1 0.452 0.000 . . . . . . 26 V QG1 . 16114 1 213 . 1 1 26 26 VAL HG13 H 1 0.452 0.000 . . . . . . 26 V QG1 . 16114 1 214 . 1 1 26 26 VAL HG21 H 1 -0.290 0.000 . . . . . . 26 V QG2 . 16114 1 215 . 1 1 26 26 VAL HG22 H 1 -0.290 0.000 . . . . . . 26 V QG2 . 16114 1 216 . 1 1 26 26 VAL HG23 H 1 -0.290 0.000 . . . . . . 26 V QG2 . 16114 1 217 . 1 1 26 26 VAL CA C 13 56.020 0.000 . 1 . . . . 26 V CA . 16114 1 218 . 1 1 26 26 VAL CB C 13 33.631 0.000 . 1 . . . . 26 V CB . 16114 1 219 . 1 1 26 26 VAL CG1 C 13 18.952 0.000 . 2 . . . . 26 V CG1 . 16114 1 220 . 1 1 26 26 VAL CG2 C 13 16.093 0.000 . 2 . . . . 26 V CG2 . 16114 1 221 . 1 1 26 26 VAL N N 15 116.647 0.000 . 1 . . . . 26 V N . 16114 1 222 . 1 1 27 27 GLU H H 1 7.970 0.000 . 1 . . . . 27 E H . 16114 1 223 . 1 1 27 27 GLU HA H 1 4.447 0.000 . 1 . . . . 27 E HA . 16114 1 224 . 1 1 27 27 GLU HB2 H 1 1.690 0.000 . 2 . . . . 27 E HB2 . 16114 1 225 . 1 1 27 27 GLU HB3 H 1 2.045 0.000 . 2 . . . . 27 E HB3 . 16114 1 226 . 1 1 27 27 GLU HG2 H 1 2.053 0.000 . 2 . . . . 27 E HG2 . 16114 1 227 . 1 1 27 27 GLU HG3 H 1 1.705 0.000 . 2 . . . . 27 E HG3 . 16114 1 228 . 1 1 27 27 GLU CA C 13 51.386 0.000 . 1 . . . . 27 E CA . 16114 1 229 . 1 1 27 27 GLU CB C 13 30.905 0.010 . 1 . . . . 27 E CB . 16114 1 230 . 1 1 27 27 GLU CG C 13 33.367 0.006 . 1 . . . . 27 E CG . 16114 1 231 . 1 1 27 27 GLU N N 15 115.496 0.000 . 1 . . . . 27 E N . 16114 1 232 . 1 1 28 28 SER H H 1 9.192 0.000 . 1 . . . . 28 S H . 16114 1 233 . 1 1 28 28 SER HA H 1 4.108 0.000 . 1 . . . . 28 S HA . 16114 1 234 . 1 1 28 28 SER HB2 H 1 3.992 0.000 . 2 . . . . 28 S HB2 . 16114 1 235 . 1 1 28 28 SER HB3 H 1 3.944 0.000 . 2 . . . . 28 S HB3 . 16114 1 236 . 1 1 28 28 SER CA C 13 59.909 0.000 . 1 . . . . 28 S CA . 16114 1 237 . 1 1 28 28 SER CB C 13 60.399 0.003 . 1 . . . . 28 S CB . 16114 1 238 . 1 1 28 28 SER N N 15 117.720 0.000 . 1 . . . . 28 S N . 16114 1 239 . 1 1 29 29 SER H H 1 7.371 0.000 . 1 . . . . 29 S H . 16114 1 240 . 1 1 29 29 SER HA H 1 4.327 0.000 . 1 . . . . 29 S HA . 16114 1 241 . 1 1 29 29 SER HB2 H 1 4.059 0.000 . 2 . . . . 29 S HB2 . 16114 1 242 . 1 1 29 29 SER HB3 H 1 3.689 0.000 . 2 . . . . 29 S HB3 . 16114 1 243 . 1 1 29 29 SER CA C 13 54.805 0.000 . 1 . . . . 29 S CA . 16114 1 244 . 1 1 29 29 SER CB C 13 60.775 0.003 . 1 . . . . 29 S CB . 16114 1 245 . 1 1 29 29 SER N N 15 108.936 0.000 . 1 . . . . 29 S N . 16114 1 246 . 1 1 30 30 ASP H H 1 7.852 0.000 . 1 . . . . 30 D H . 16114 1 247 . 1 1 30 30 ASP HA H 1 4.591 0.000 . 1 . . . . 30 D HA . 16114 1 248 . 1 1 30 30 ASP HB2 H 1 2.855 0.000 . 2 . . . . 30 D HB2 . 16114 1 249 . 1 1 30 30 ASP HB3 H 1 2.440 0.000 . 2 . . . . 30 D HB3 . 16114 1 250 . 1 1 30 30 ASP CA C 13 53.040 0.000 . 1 . . . . 30 D CA . 16114 1 251 . 1 1 30 30 ASP CB C 13 37.942 0.004 . 1 . . . . 30 D CB . 16114 1 252 . 1 1 30 30 ASP N N 15 123.735 0.000 . 1 . . . . 30 D N . 16114 1 253 . 1 1 31 31 THR H H 1 7.852 0.000 . 1 . . . . 31 T H . 16114 1 254 . 1 1 31 31 THR HA H 1 4.918 0.000 . 1 . . . . 31 T HA . 16114 1 255 . 1 1 31 31 THR HB H 1 4.762 0.000 . 1 . . . . 31 T HB . 16114 1 256 . 1 1 31 31 THR HG21 H 1 1.189 0.000 . . . . . . 31 T QG2 . 16114 1 257 . 1 1 31 31 THR HG22 H 1 1.189 0.000 . . . . . . 31 T QG2 . 16114 1 258 . 1 1 31 31 THR HG23 H 1 1.189 0.000 . . . . . . 31 T QG2 . 16114 1 259 . 1 1 31 31 THR CA C 13 56.929 0.000 . 1 . . . . 31 T CA . 16114 1 260 . 1 1 31 31 THR CB C 13 68.674 0.000 . 1 . . . . 31 T CB . 16114 1 261 . 1 1 31 31 THR CG2 C 13 19.558 0.000 . 1 . . . . 31 T CG2 . 16114 1 262 . 1 1 31 31 THR N N 15 109.181 0.000 . 1 . . . . 31 T N . 16114 1 263 . 1 1 32 32 ILE H H 1 8.582 0.000 . 1 . . . . 32 I H . 16114 1 264 . 1 1 32 32 ILE HA H 1 3.624 0.000 . 1 . . . . 32 I HA . 16114 1 265 . 1 1 32 32 ILE HB H 1 2.588 0.000 . 1 . . . . 32 I HB . 16114 1 266 . 1 1 32 32 ILE HD11 H 1 0.479 0.000 . . . . . . 32 I QD1 . 16114 1 267 . 1 1 32 32 ILE HD12 H 1 0.479 0.000 . . . . . . 32 I QD1 . 16114 1 268 . 1 1 32 32 ILE HD13 H 1 0.479 0.000 . . . . . . 32 I QD1 . 16114 1 269 . 1 1 32 32 ILE HG12 H 1 1.255 0.000 . 2 . . . . 32 I HG12 . 16114 1 270 . 1 1 32 32 ILE HG13 H 1 1.893 0.000 . 2 . . . . 32 I HG13 . 16114 1 271 . 1 1 32 32 ILE HG21 H 1 0.725 0.000 . . . . . . 32 I QG2 . 16114 1 272 . 1 1 32 32 ILE HG22 H 1 0.725 0.000 . . . . . . 32 I QG2 . 16114 1 273 . 1 1 32 32 ILE HG23 H 1 0.725 0.000 . . . . . . 32 I QG2 . 16114 1 274 . 1 1 32 32 ILE CA C 13 59.474 0.000 . 1 . . . . 32 I CA . 16114 1 275 . 1 1 32 32 ILE CB C 13 31.561 0.000 . 1 . . . . 32 I CB . 16114 1 276 . 1 1 32 32 ILE CD1 C 13 6.372 0.000 . 1 . . . . 32 I CD1 . 16114 1 277 . 1 1 32 32 ILE CG1 C 13 25.043 0.002 . 1 . . . . 32 I CG1 . 16114 1 278 . 1 1 32 32 ILE CG2 C 13 15.260 0.000 . 1 . . . . 32 I CG2 . 16114 1 279 . 1 1 32 32 ILE N N 15 121.833 0.000 . 1 . . . . 32 I N . 16114 1 280 . 1 1 33 33 ASP H H 1 9.255 0.000 . 1 . . . . 33 D H . 16114 1 281 . 1 1 33 33 ASP HA H 1 4.201 0.000 . 1 . . . . 33 D HA . 16114 1 282 . 1 1 33 33 ASP HB2 H 1 2.560 0.000 . 2 . . . . 33 D HB2 . 16114 1 283 . 1 1 33 33 ASP HB3 H 1 2.517 0.000 . 2 . . . . 33 D HB3 . 16114 1 284 . 1 1 33 33 ASP CA C 13 54.679 0.000 . 1 . . . . 33 D CA . 16114 1 285 . 1 1 33 33 ASP CB C 13 37.700 0.003 . 1 . . . . 33 D CB . 16114 1 286 . 1 1 33 33 ASP N N 15 119.823 0.000 . 1 . . . . 33 D N . 16114 1 287 . 1 1 34 34 ASN H H 1 8.026 0.000 . 1 . . . . 34 N H . 16114 1 288 . 1 1 34 34 ASN HA H 1 4.409 0.000 . 1 . . . . 34 N HA . 16114 1 289 . 1 1 34 34 ASN HB2 H 1 3.232 0.000 . 2 . . . . 34 N HB2 . 16114 1 290 . 1 1 34 34 ASN HB3 H 1 2.723 0.000 . 2 . . . . 34 N HB3 . 16114 1 291 . 1 1 34 34 ASN CA C 13 53.324 0.000 . 1 . . . . 34 N CA . 16114 1 292 . 1 1 34 34 ASN CB C 13 35.782 0.000 . 1 . . . . 34 N CB . 16114 1 293 . 1 1 34 34 ASN N N 15 119.540 0.000 . 1 . . . . 34 N N . 16114 1 294 . 1 1 35 35 VAL H H 1 8.167 0.000 . 1 . . . . 35 V H . 16114 1 295 . 1 1 35 35 VAL HA H 1 3.249 0.000 . 1 . . . . 35 V HA . 16114 1 296 . 1 1 35 35 VAL HB H 1 2.316 0.000 . 1 . . . . 35 V HB . 16114 1 297 . 1 1 35 35 VAL HG11 H 1 0.880 0.000 . . . . . . 35 V QG1 . 16114 1 298 . 1 1 35 35 VAL HG12 H 1 0.880 0.000 . . . . . . 35 V QG1 . 16114 1 299 . 1 1 35 35 VAL HG13 H 1 0.880 0.000 . . . . . . 35 V QG1 . 16114 1 300 . 1 1 35 35 VAL HG21 H 1 0.641 0.000 . . . . . . 35 V QG2 . 16114 1 301 . 1 1 35 35 VAL HG22 H 1 0.641 0.000 . . . . . . 35 V QG2 . 16114 1 302 . 1 1 35 35 VAL HG23 H 1 0.641 0.000 . . . . . . 35 V QG2 . 16114 1 303 . 1 1 35 35 VAL CA C 13 65.308 0.000 . 1 . . . . 35 V CA . 16114 1 304 . 1 1 35 35 VAL CB C 13 27.965 0.000 . 1 . . . . 35 V CB . 16114 1 305 . 1 1 35 35 VAL CG1 C 13 20.883 0.000 . 2 . . . . 35 V CG1 . 16114 1 306 . 1 1 35 35 VAL CG2 C 13 19.273 0.000 . 2 . . . . 35 V CG2 . 16114 1 307 . 1 1 35 35 VAL N N 15 122.223 0.000 . 1 . . . . 35 V N . 16114 1 308 . 1 1 36 36 LYS H H 1 8.460 0.000 . 1 . . . . 36 K H . 16114 1 309 . 1 1 36 36 LYS HB2 H 1 1.378 0.000 . 2 . . . . 36 K HB2 . 16114 1 310 . 1 1 36 36 LYS HB3 H 1 1.353 0.000 . 2 . . . . 36 K HB3 . 16114 1 311 . 1 1 36 36 LYS HD2 H 1 1.524 0.000 . 2 . . . . 36 K HD2 . 16114 1 312 . 1 1 36 36 LYS HD3 H 1 1.381 0.000 . 2 . . . . 36 K HD3 . 16114 1 313 . 1 1 36 36 LYS CB C 13 30.753 0.006 . 1 . . . . 36 K CB . 16114 1 314 . 1 1 36 36 LYS CD C 13 23.787 0.001 . 1 . . . . 36 K CD . 16114 1 315 . 1 1 36 36 LYS N N 15 119.438 0.000 . 1 . . . . 36 K N . 16114 1 316 . 1 1 37 37 SER H H 1 8.196 0.000 . 1 . . . . 37 S H . 16114 1 317 . 1 1 37 37 SER HA H 1 4.130 0.000 . 1 . . . . 37 S HA . 16114 1 318 . 1 1 37 37 SER HB2 H 1 4.133 0.000 . 2 . . . . 37 S HB2 . 16114 1 319 . 1 1 37 37 SER HB3 H 1 4.038 0.000 . 2 . . . . 37 S HB3 . 16114 1 320 . 1 1 37 37 SER CA C 13 58.528 0.000 . 1 . . . . 37 S CA . 16114 1 321 . 1 1 37 37 SER CB C 13 59.768 0.004 . 1 . . . . 37 S CB . 16114 1 322 . 1 1 37 37 SER N N 15 117.791 0.000 . 1 . . . . 37 S N . 16114 1 323 . 1 1 38 38 LYS H H 1 8.043 0.000 . 1 . . . . 38 K H . 16114 1 324 . 1 1 38 38 LYS HA H 1 4.095 0.000 . 1 . . . . 38 K HA . 16114 1 325 . 1 1 38 38 LYS CA C 13 57.377 0.000 . 1 . . . . 38 K CA . 16114 1 326 . 1 1 38 38 LYS N N 15 124.094 0.000 . 1 . . . . 38 K N . 16114 1 327 . 1 1 39 39 ILE H H 1 8.254 0.000 . 1 . . . . 39 I H . 16114 1 328 . 1 1 39 39 ILE HA H 1 3.439 0.000 . 1 . . . . 39 I HA . 16114 1 329 . 1 1 39 39 ILE HB H 1 2.260 0.000 . 1 . . . . 39 I HB . 16114 1 330 . 1 1 39 39 ILE HD11 H 1 0.705 0.000 . . . . . . 39 I QD1 . 16114 1 331 . 1 1 39 39 ILE HD12 H 1 0.705 0.000 . . . . . . 39 I QD1 . 16114 1 332 . 1 1 39 39 ILE HD13 H 1 0.705 0.000 . . . . . . 39 I QD1 . 16114 1 333 . 1 1 39 39 ILE HG12 H 1 0.564 0.000 . 2 . . . . 39 I HG12 . 16114 1 334 . 1 1 39 39 ILE HG13 H 1 1.918 0.000 . 2 . . . . 39 I HG13 . 16114 1 335 . 1 1 39 39 ILE HG21 H 1 0.623 0.000 . . . . . . 39 I QG2 . 16114 1 336 . 1 1 39 39 ILE HG22 H 1 0.623 0.000 . . . . . . 39 I QG2 . 16114 1 337 . 1 1 39 39 ILE HG23 H 1 0.623 0.000 . . . . . . 39 I QG2 . 16114 1 338 . 1 1 39 39 ILE CA C 13 63.977 0.000 . 1 . . . . 39 I CA . 16114 1 339 . 1 1 39 39 ILE CB C 13 33.935 0.000 . 1 . . . . 39 I CB . 16114 1 340 . 1 1 39 39 ILE CD1 C 13 11.182 0.000 . 1 . . . . 39 I CD1 . 16114 1 341 . 1 1 39 39 ILE CG1 C 13 29.274 0.195 . 1 . . . . 39 I CG1 . 16114 1 342 . 1 1 39 39 ILE CG2 C 13 14.392 0.000 . 1 . . . . 39 I CG2 . 16114 1 343 . 1 1 39 39 ILE N N 15 122.107 0.000 . 1 . . . . 39 I N . 16114 1 344 . 1 1 40 40 GLN H H 1 8.379 0.000 . 1 . . . . 40 Q H . 16114 1 345 . 1 1 40 40 GLN HA H 1 3.746 0.000 . 1 . . . . 40 Q HA . 16114 1 346 . 1 1 40 40 GLN HB2 H 1 1.930 0.000 . 2 . . . . 40 Q HB2 . 16114 1 347 . 1 1 40 40 GLN HB3 H 1 2.499 0.000 . 2 . . . . 40 Q HB3 . 16114 1 348 . 1 1 40 40 GLN HG2 H 1 2.200 0.000 . 2 . . . . 40 Q HG2 . 16114 1 349 . 1 1 40 40 GLN HG3 H 1 1.800 0.000 . 2 . . . . 40 Q HG3 . 16114 1 350 . 1 1 40 40 GLN CA C 13 57.472 0.000 . 1 . . . . 40 Q CA . 16114 1 351 . 1 1 40 40 GLN CB C 13 25.072 0.011 . 1 . . . . 40 Q CB . 16114 1 352 . 1 1 40 40 GLN CG C 13 31.095 0.003 . 1 . . . . 40 Q CG . 16114 1 353 . 1 1 40 40 GLN N N 15 123.725 0.000 . 1 . . . . 40 Q N . 16114 1 354 . 1 1 41 41 ASP H H 1 8.210 0.000 . 1 . . . . 41 D H . 16114 1 355 . 1 1 41 41 ASP HA H 1 4.247 0.000 . 1 . . . . 41 D HA . 16114 1 356 . 1 1 41 41 ASP HB2 H 1 2.792 0.000 . 2 . . . . 41 D HB2 . 16114 1 357 . 1 1 41 41 ASP HB3 H 1 2.660 0.000 . 2 . . . . 41 D HB3 . 16114 1 358 . 1 1 41 41 ASP CA C 13 54.646 0.000 . 1 . . . . 41 D CA . 16114 1 359 . 1 1 41 41 ASP CB C 13 38.136 0.007 . 1 . . . . 41 D CB . 16114 1 360 . 1 1 41 41 ASP N N 15 120.564 0.000 . 1 . . . . 41 D N . 16114 1 361 . 1 1 42 42 LYS H H 1 7.381 0.000 . 1 . . . . 42 K H . 16114 1 362 . 1 1 42 42 LYS HA H 1 4.246 0.000 . 1 . . . . 42 K HA . 16114 1 363 . 1 1 42 42 LYS HB2 H 1 1.937 0.000 . 2 . . . . 42 K HB2 . 16114 1 364 . 1 1 42 42 LYS HB3 H 1 1.781 0.000 . 2 . . . . 42 K HB3 . 16114 1 365 . 1 1 42 42 LYS HE2 H 1 3.119 0.000 . 2 . . . . 42 K HE2 . 16114 1 366 . 1 1 42 42 LYS HE3 H 1 3.048 0.000 . 2 . . . . 42 K HE3 . 16114 1 367 . 1 1 42 42 LYS HG2 H 1 1.662 0.000 . 2 . . . . 42 K HG2 . 16114 1 368 . 1 1 42 42 LYS HG3 H 1 1.520 0.000 . 2 . . . . 42 K HG3 . 16114 1 369 . 1 1 42 42 LYS CA C 13 55.579 0.000 . 1 . . . . 42 K CA . 16114 1 370 . 1 1 42 42 LYS CB C 13 31.406 0.000 . 1 . . . . 42 K CB . 16114 1 371 . 1 1 42 42 LYS CE C 13 39.387 0.001 . 1 . . . . 42 K CE . 16114 1 372 . 1 1 42 42 LYS CG C 13 22.854 0.000 . 1 . . . . 42 K CG . 16114 1 373 . 1 1 42 42 LYS N N 15 115.674 0.000 . 1 . . . . 42 K N . 16114 1 374 . 1 1 43 43 GLU H H 1 8.537 0.000 . 1 . . . . 43 E H . 16114 1 375 . 1 1 43 43 GLU HA H 1 4.522 0.000 . 1 . . . . 43 E HA . 16114 1 376 . 1 1 43 43 GLU HB2 H 1 1.579 0.000 . 2 . . . . 43 E HB2 . 16114 1 377 . 1 1 43 43 GLU HB3 H 1 2.212 0.000 . 2 . . . . 43 E HB3 . 16114 1 378 . 1 1 43 43 GLU HG2 H 1 2.192 0.000 . 2 . . . . 43 E HG2 . 16114 1 379 . 1 1 43 43 GLU HG3 H 1 2.120 0.000 . 2 . . . . 43 E HG3 . 16114 1 380 . 1 1 43 43 GLU CA C 13 52.772 0.000 . 1 . . . . 43 E CA . 16114 1 381 . 1 1 43 43 GLU CB C 13 30.535 0.004 . 1 . . . . 43 E CB . 16114 1 382 . 1 1 43 43 GLU CG C 13 33.425 0.004 . 1 . . . . 43 E CG . 16114 1 383 . 1 1 43 43 GLU N N 15 114.355 0.000 . 1 . . . . 43 E N . 16114 1 384 . 1 1 44 44 GLY H H 1 8.611 0.000 . 1 . . . . 44 G H . 16114 1 385 . 1 1 44 44 GLY HA2 H 1 4.067 0.000 . 2 . . . . 44 G HA2 . 16114 1 386 . 1 1 44 44 GLY HA3 H 1 3.819 0.000 . 2 . . . . 44 G HA3 . 16114 1 387 . 1 1 44 44 GLY CA C 13 43.205 0.000 . 1 . . . . 44 G CA . 16114 1 388 . 1 1 44 44 GLY N N 15 109.406 0.000 . 1 . . . . 44 G N . 16114 1 389 . 1 1 45 45 ILE H H 1 6.092 0.000 . 1 . . . . 45 I H . 16114 1 390 . 1 1 45 45 ILE HA H 1 4.324 0.000 . 1 . . . . 45 I HA . 16114 1 391 . 1 1 45 45 ILE HB H 1 1.354 0.000 . 1 . . . . 45 I HB . 16114 1 392 . 1 1 45 45 ILE HD11 H 1 0.696 0.000 . . . . . . 45 I QD1 . 16114 1 393 . 1 1 45 45 ILE HD12 H 1 0.696 0.000 . . . . . . 45 I QD1 . 16114 1 394 . 1 1 45 45 ILE HD13 H 1 0.696 0.000 . . . . . . 45 I QD1 . 16114 1 395 . 1 1 45 45 ILE HG12 H 1 1.033 0.000 . 2 . . . . 45 I HG12 . 16114 1 396 . 1 1 45 45 ILE HG13 H 1 1.018 0.000 . 2 . . . . 45 I HG13 . 16114 1 397 . 1 1 45 45 ILE HG21 H 1 0.878 0.000 . . . . . . 45 I QG2 . 16114 1 398 . 1 1 45 45 ILE HG22 H 1 0.878 0.000 . . . . . . 45 I QG2 . 16114 1 399 . 1 1 45 45 ILE HG23 H 1 0.878 0.000 . . . . . . 45 I QG2 . 16114 1 400 . 1 1 45 45 ILE CA C 13 55.211 0.000 . 1 . . . . 45 I CA . 16114 1 401 . 1 1 45 45 ILE CB C 13 37.903 0.000 . 1 . . . . 45 I CB . 16114 1 402 . 1 1 45 45 ILE CD1 C 13 10.816 0.000 . 1 . . . . 45 I CD1 . 16114 1 403 . 1 1 45 45 ILE CG1 C 13 24.172 0.001 . 1 . . . . 45 I CG1 . 16114 1 404 . 1 1 45 45 ILE CG2 C 13 15.458 0.000 . 1 . . . . 45 I CG2 . 16114 1 405 . 1 1 45 45 ILE N N 15 120.791 0.000 . 1 . . . . 45 I N . 16114 1 406 . 1 1 46 46 PRO HA H 1 4.547 0.000 . 1 . . . . 46 P HA . 16114 1 407 . 1 1 46 46 PRO HB2 H 1 2.330 0.000 . 2 . . . . 46 P HB2 . 16114 1 408 . 1 1 46 46 PRO HB3 H 1 1.892 0.000 . 2 . . . . 46 P HB3 . 16114 1 409 . 1 1 46 46 PRO HD2 H 1 4.154 0.000 . 2 . . . . 46 P HD2 . 16114 1 410 . 1 1 46 46 PRO HD3 H 1 3.480 0.000 . 2 . . . . 46 P HD3 . 16114 1 411 . 1 1 46 46 PRO HG2 H 1 2.044 0.000 . 2 . . . . 46 P HG2 . 16114 1 412 . 1 1 46 46 PRO HG3 H 1 1.961 0.000 . 2 . . . . 46 P HG3 . 16114 1 413 . 1 1 46 46 PRO CA C 13 58.971 0.000 . 1 . . . . 46 P CA . 16114 1 414 . 1 1 46 46 PRO CB C 13 29.142 0.013 . 1 . . . . 46 P CB . 16114 1 415 . 1 1 46 46 PRO CD C 13 48.334 0.005 . 1 . . . . 46 P CD . 16114 1 416 . 1 1 46 46 PRO CG C 13 25.599 0.010 . 1 . . . . 46 P CG . 16114 1 417 . 1 1 47 47 PRO HA H 1 4.062 0.000 . 1 . . . . 47 P HA . 16114 1 418 . 1 1 47 47 PRO HB2 H 1 1.980 0.000 . 2 . . . . 47 P HB2 . 16114 1 419 . 1 1 47 47 PRO HB3 H 1 2.016 0.000 . 2 . . . . 47 P HB3 . 16114 1 420 . 1 1 47 47 PRO HD2 H 1 3.657 0.000 . 2 . . . . 47 P HD2 . 16114 1 421 . 1 1 47 47 PRO HD3 H 1 3.680 0.000 . 2 . . . . 47 P HD3 . 16114 1 422 . 1 1 47 47 PRO HG2 H 1 2.111 0.000 . 2 . . . . 47 P HG2 . 16114 1 423 . 1 1 47 47 PRO HG3 H 1 1.487 0.000 . 2 . . . . 47 P HG3 . 16114 1 424 . 1 1 47 47 PRO CA C 13 63.476 0.000 . 1 . . . . 47 P CA . 16114 1 425 . 1 1 47 47 PRO CB C 13 30.113 0.004 . 1 . . . . 47 P CB . 16114 1 426 . 1 1 47 47 PRO CD C 13 48.502 0.001 . 1 . . . . 47 P CD . 16114 1 427 . 1 1 47 47 PRO CG C 13 25.086 0.047 . 1 . . . . 47 P CG . 16114 1 428 . 1 1 48 48 ASP H H 1 8.418 0.000 . 1 . . . . 48 D H . 16114 1 429 . 1 1 48 48 ASP HA H 1 4.346 0.000 . 1 . . . . 48 D HA . 16114 1 430 . 1 1 48 48 ASP HB2 H 1 2.750 0.000 . 2 . . . . 48 D HB2 . 16114 1 431 . 1 1 48 48 ASP HB3 H 1 2.602 0.000 . 2 . . . . 48 D HB3 . 16114 1 432 . 1 1 48 48 ASP CA C 13 52.838 0.000 . 1 . . . . 48 D CA . 16114 1 433 . 1 1 48 48 ASP CB C 13 36.926 0.000 . 1 . . . . 48 D CB . 16114 1 434 . 1 1 48 48 ASP N N 15 113.462 0.000 . 1 . . . . 48 D N . 16114 1 435 . 1 1 49 49 GLN H H 1 7.822 0.000 . 1 . . . . 49 Q H . 16114 1 436 . 1 1 49 49 GLN HA H 1 4.283 0.000 . 1 . . . . 49 Q HA . 16114 1 437 . 1 1 49 49 GLN HG2 H 1 2.438 0.000 . 2 . . . . 49 Q HG2 . 16114 1 438 . 1 1 49 49 GLN HG3 H 1 2.340 0.000 . 2 . . . . 49 Q HG3 . 16114 1 439 . 1 1 49 49 GLN CA C 13 52.770 0.000 . 1 . . . . 49 Q CA . 16114 1 440 . 1 1 49 49 GLN CG C 13 31.844 0.000 . 1 . . . . 49 Q CG . 16114 1 441 . 1 1 49 49 GLN N N 15 117.377 0.000 . 1 . . . . 49 Q N . 16114 1 442 . 1 1 50 50 GLN H H 1 7.451 0.000 . 1 . . . . 50 Q H . 16114 1 443 . 1 1 50 50 GLN HA H 1 4.260 0.000 . 1 . . . . 50 Q HA . 16114 1 444 . 1 1 50 50 GLN HB2 H 1 1.854 0.000 . 2 . . . . 50 Q HB2 . 16114 1 445 . 1 1 50 50 GLN HB3 H 1 2.368 0.000 . 2 . . . . 50 Q HB3 . 16114 1 446 . 1 1 50 50 GLN HG2 H 1 2.397 0.000 . 2 . . . . 50 Q HG2 . 16114 1 447 . 1 1 50 50 GLN HG3 H 1 1.552 0.000 . 2 . . . . 50 Q HG3 . 16114 1 448 . 1 1 50 50 GLN CA C 13 53.725 0.000 . 1 . . . . 50 Q CA . 16114 1 449 . 1 1 50 50 GLN CB C 13 29.142 0.002 . 1 . . . . 50 Q CB . 16114 1 450 . 1 1 50 50 GLN CG C 13 30.658 0.004 . 1 . . . . 50 Q CG . 16114 1 451 . 1 1 50 50 GLN N N 15 117.526 0.000 . 1 . . . . 50 Q N . 16114 1 452 . 1 1 51 51 ARG H H 1 8.534 0.000 . 1 . . . . 51 R H . 16114 1 453 . 1 1 51 51 ARG HA H 1 4.486 0.000 . 1 . . . . 51 R HA . 16114 1 454 . 1 1 51 51 ARG HB2 H 1 1.716 0.000 . 2 . . . . 51 R HB2 . 16114 1 455 . 1 1 51 51 ARG HB3 H 1 1.515 0.000 . 2 . . . . 51 R HB3 . 16114 1 456 . 1 1 51 51 ARG HD2 H 1 2.992 0.000 . 2 . . . . 51 R HD2 . 16114 1 457 . 1 1 51 51 ARG HD3 H 1 2.891 0.000 . 2 . . . . 51 R HD3 . 16114 1 458 . 1 1 51 51 ARG HG2 H 1 1.705 0.000 . 2 . . . . 51 R HG2 . 16114 1 459 . 1 1 51 51 ARG HG3 H 1 1.478 0.000 . 2 . . . . 51 R HG3 . 16114 1 460 . 1 1 51 51 ARG CA C 13 52.492 0.000 . 1 . . . . 51 R CA . 16114 1 461 . 1 1 51 51 ARG CB C 13 29.096 0.005 . 1 . . . . 51 R CB . 16114 1 462 . 1 1 51 51 ARG CD C 13 40.779 0.002 . 1 . . . . 51 R CD . 16114 1 463 . 1 1 51 51 ARG CG C 13 24.410 0.005 . 1 . . . . 51 R CG . 16114 1 464 . 1 1 51 51 ARG N N 15 121.655 0.000 . 1 . . . . 51 R N . 16114 1 465 . 1 1 52 52 LEU H H 1 8.683 0.000 . 1 . . . . 52 L H . 16114 1 466 . 1 1 52 52 LEU HA H 1 5.255 0.000 . 1 . . . . 52 L HA . 16114 1 467 . 1 1 52 52 LEU HB2 H 1 1.546 0.000 . 2 . . . . 52 L HB2 . 16114 1 468 . 1 1 52 52 LEU HB3 H 1 1.072 0.000 . 2 . . . . 52 L HB3 . 16114 1 469 . 1 1 52 52 LEU HD11 H 1 0.723 0.000 . . . . . . 52 L QD1 . 16114 1 470 . 1 1 52 52 LEU HD12 H 1 0.723 0.000 . . . . . . 52 L QD1 . 16114 1 471 . 1 1 52 52 LEU HD13 H 1 0.723 0.000 . . . . . . 52 L QD1 . 16114 1 472 . 1 1 52 52 LEU HD21 H 1 0.704 0.000 . . . . . . 52 L QD2 . 16114 1 473 . 1 1 52 52 LEU HD22 H 1 0.704 0.000 . . . . . . 52 L QD2 . 16114 1 474 . 1 1 52 52 LEU HD23 H 1 0.704 0.000 . . . . . . 52 L QD2 . 16114 1 475 . 1 1 52 52 LEU HG H 1 1.382 0.000 . 1 . . . . 52 L HG . 16114 1 476 . 1 1 52 52 LEU CA C 13 50.618 0.000 . 1 . . . . 52 L CA . 16114 1 477 . 1 1 52 52 LEU CB C 13 43.007 0.001 . 1 . . . . 52 L CB . 16114 1 478 . 1 1 52 52 LEU CD1 C 13 21.443 0.000 . 2 . . . . 52 L CD1 . 16114 1 479 . 1 1 52 52 LEU CD2 C 13 24.062 0.000 . 2 . . . . 52 L CD2 . 16114 1 480 . 1 1 52 52 LEU CG C 13 23.956 0.000 . 1 . . . . 52 L CG . 16114 1 481 . 1 1 52 52 LEU N N 15 122.929 0.000 . 1 . . . . 52 L N . 16114 1 482 . 1 1 53 53 ILE H H 1 9.286 0.000 . 1 . . . . 53 I H . 16114 1 483 . 1 1 53 53 ILE HA H 1 5.096 0.000 . 1 . . . . 53 I HA . 16114 1 484 . 1 1 53 53 ILE HD11 H 1 0.729 0.000 . . . . . . 53 I QD1 . 16114 1 485 . 1 1 53 53 ILE HD12 H 1 0.729 0.000 . . . . . . 53 I QD1 . 16114 1 486 . 1 1 53 53 ILE HD13 H 1 0.729 0.000 . . . . . . 53 I QD1 . 16114 1 487 . 1 1 53 53 ILE HG12 H 1 1.110 0.000 . 2 . . . . 53 I HG12 . 16114 1 488 . 1 1 53 53 ILE HG13 H 1 1.266 0.000 . 2 . . . . 53 I HG13 . 16114 1 489 . 1 1 53 53 ILE HG21 H 1 0.609 0.000 . . . . . . 53 I QG2 . 16114 1 490 . 1 1 53 53 ILE HG22 H 1 0.609 0.000 . . . . . . 53 I QG2 . 16114 1 491 . 1 1 53 53 ILE HG23 H 1 0.609 0.000 . . . . . . 53 I QG2 . 16114 1 492 . 1 1 53 53 ILE CA C 13 56.795 0.000 . 1 . . . . 53 I CA . 16114 1 493 . 1 1 53 53 ILE CD1 C 13 11.695 0.000 . 1 . . . . 53 I CD1 . 16114 1 494 . 1 1 53 53 ILE CG1 C 13 27.382 0.006 . 1 . . . . 53 I CG1 . 16114 1 495 . 1 1 53 53 ILE CG2 C 13 16.364 0.000 . 1 . . . . 53 I CG2 . 16114 1 496 . 1 1 53 53 ILE N N 15 124.718 0.000 . 1 . . . . 53 I N . 16114 1 497 . 1 1 54 54 TRP H H 1 8.871 0.000 . 1 . . . . 54 W H . 16114 1 498 . 1 1 54 54 TRP HE1 H 1 10.073 0.000 . 1 . . . . 54 W HE1 . 16114 1 499 . 1 1 54 54 TRP N N 15 127.412 0.000 . 1 . . . . 54 W N . 16114 1 500 . 1 1 54 54 TRP NE1 N 15 129.200 0.000 . 1 . . . . 54 W NE1 . 16114 1 501 . 1 1 55 55 ALA H H 1 8.401 0.000 . 1 . . . . 55 A H . 16114 1 502 . 1 1 55 55 ALA HA H 1 3.183 0.000 . 1 . . . . 55 A HA . 16114 1 503 . 1 1 55 55 ALA HB1 H 1 0.529 0.000 . . . . . . 55 A QB . 16114 1 504 . 1 1 55 55 ALA HB2 H 1 0.529 0.000 . . . . . . 55 A QB . 16114 1 505 . 1 1 55 55 ALA HB3 H 1 0.529 0.000 . . . . . . 55 A QB . 16114 1 506 . 1 1 55 55 ALA CA C 13 49.712 0.000 . 1 . . . . 55 A CA . 16114 1 507 . 1 1 55 55 ALA CB C 13 13.252 0.000 . 1 . . . . 55 A CB . 16114 1 508 . 1 1 55 55 ALA N N 15 128.894 0.000 . 1 . . . . 55 A N . 16114 1 509 . 1 1 56 56 GLY H H 1 8.248 0.000 . 1 . . . . 56 G H . 16114 1 510 . 1 1 56 56 GLY HA2 H 1 3.968 0.000 . 2 . . . . 56 G HA2 . 16114 1 511 . 1 1 56 56 GLY HA3 H 1 3.916 0.000 . 2 . . . . 56 G HA3 . 16114 1 512 . 1 1 56 56 GLY CA C 13 43.142 0.002 . 1 . . . . 56 G CA . 16114 1 513 . 1 1 56 56 GLY N N 15 101.499 0.000 . 1 . . . . 56 G N . 16114 1 514 . 1 1 57 57 LYS H H 1 8.028 0.000 . 1 . . . . 57 K H . 16114 1 515 . 1 1 57 57 LYS HA H 1 4.609 0.000 . 1 . . . . 57 K HA . 16114 1 516 . 1 1 57 57 LYS HB2 H 1 1.867 0.000 . 2 . . . . 57 K HB2 . 16114 1 517 . 1 1 57 57 LYS HB3 H 1 1.764 0.000 . 2 . . . . 57 K HB3 . 16114 1 518 . 1 1 57 57 LYS HD2 H 1 1.471 0.000 . 2 . . . . 57 K HD2 . 16114 1 519 . 1 1 57 57 LYS HD3 H 1 1.382 0.000 . 2 . . . . 57 K HD3 . 16114 1 520 . 1 1 57 57 LYS HG2 H 1 3.128 0.000 . 2 . . . . 57 K HG2 . 16114 1 521 . 1 1 57 57 LYS HG3 H 1 3.034 0.000 . 2 . . . . 57 K HG3 . 16114 1 522 . 1 1 57 57 LYS CA C 13 51.928 0.000 . 1 . . . . 57 K CA . 16114 1 523 . 1 1 57 57 LYS CB C 13 32.613 0.000 . 1 . . . . 57 K CB . 16114 1 524 . 1 1 57 57 LYS CD C 13 21.235 0.000 . 1 . . . . 57 K CD . 16114 1 525 . 1 1 57 57 LYS CG C 13 26.776 0.000 . 1 . . . . 57 K CG . 16114 1 526 . 1 1 57 57 LYS N N 15 118.995 0.000 . 1 . . . . 57 K N . 16114 1 527 . 1 1 58 58 GLN H H 1 8.607 0.000 . 1 . . . . 58 Q H . 16114 1 528 . 1 1 58 58 GLN HA H 1 4.617 0.000 . 1 . . . . 58 Q HA . 16114 1 529 . 1 1 58 58 GLN HB2 H 1 2.236 0.000 . 2 . . . . 58 Q HB2 . 16114 1 530 . 1 1 58 58 GLN HB3 H 1 1.844 0.000 . 2 . . . . 58 Q HB3 . 16114 1 531 . 1 1 58 58 GLN HG2 H 1 2.236 0.000 . 2 . . . . 58 Q HG2 . 16114 1 532 . 1 1 58 58 GLN HG3 H 1 1.998 0.000 . 2 . . . . 58 Q HG3 . 16114 1 533 . 1 1 58 58 GLN CA C 13 53.261 0.000 . 1 . . . . 58 Q CA . 16114 1 534 . 1 1 58 58 GLN CB C 13 26.613 0.005 . 1 . . . . 58 Q CB . 16114 1 535 . 1 1 58 58 GLN CG C 13 32.737 0.003 . 1 . . . . 58 Q CG . 16114 1 536 . 1 1 58 58 GLN N N 15 119.825 0.000 . 1 . . . . 58 Q N . 16114 1 537 . 1 1 59 59 LEU H H 1 8.653 0.000 . 1 . . . . 59 L H . 16114 1 538 . 1 1 59 59 LEU HA H 1 4.138 0.000 . 1 . . . . 59 L HA . 16114 1 539 . 1 1 59 59 LEU HB2 H 1 1.470 0.000 . 2 . . . . 59 L HB2 . 16114 1 540 . 1 1 59 59 LEU HB3 H 1 1.071 0.000 . 2 . . . . 59 L HB3 . 16114 1 541 . 1 1 59 59 LEU HD11 H 1 0.493 0.000 . . . . . . 59 L QD1 . 16114 1 542 . 1 1 59 59 LEU HD12 H 1 0.493 0.000 . . . . . . 59 L QD1 . 16114 1 543 . 1 1 59 59 LEU HD13 H 1 0.493 0.000 . . . . . . 59 L QD1 . 16114 1 544 . 1 1 59 59 LEU HD21 H 1 -0.036 0.000 . . . . . . 59 L QD2 . 16114 1 545 . 1 1 59 59 LEU HD22 H 1 -0.036 0.000 . . . . . . 59 L QD2 . 16114 1 546 . 1 1 59 59 LEU HD23 H 1 -0.036 0.000 . . . . . . 59 L QD2 . 16114 1 547 . 1 1 59 59 LEU HG H 1 1.550 0.000 . 1 . . . . 59 L HG . 16114 1 548 . 1 1 59 59 LEU CA C 13 51.991 0.000 . 1 . . . . 59 L CA . 16114 1 549 . 1 1 59 59 LEU CB C 13 39.006 0.019 . 1 . . . . 59 L CB . 16114 1 550 . 1 1 59 59 LEU CD1 C 13 23.308 0.000 . 2 . . . . 59 L CD1 . 16114 1 551 . 1 1 59 59 LEU CD2 C 13 17.057 0.000 . 2 . . . . 59 L CD2 . 16114 1 552 . 1 1 59 59 LEU CG C 13 23.163 0.000 . 1 . . . . 59 L CG . 16114 1 553 . 1 1 59 59 LEU N N 15 125.484 0.000 . 1 . . . . 59 L N . 16114 1 554 . 1 1 60 60 GLU H H 1 8.461 0.000 . 1 . . . . 60 E H . 16114 1 555 . 1 1 60 60 GLU HA H 1 4.371 0.000 . 1 . . . . 60 E HA . 16114 1 556 . 1 1 60 60 GLU HB2 H 1 2.284 0.111 . 2 . . . . 60 E HB2 . 16114 1 557 . 1 1 60 60 GLU HB3 H 1 1.963 0.000 . 2 . . . . 60 E HB3 . 16114 1 558 . 1 1 60 60 GLU HG3 H 1 2.302 0.000 . 2 . . . . 60 E HG3 . 16114 1 559 . 1 1 60 60 GLU CA C 13 53.436 0.000 . 1 . . . . 60 E CA . 16114 1 560 . 1 1 60 60 GLU CB C 13 29.057 0.003 . 1 . . . . 60 E CB . 16114 1 561 . 1 1 60 60 GLU CG C 13 33.978 0.002 . 1 . . . . 60 E CG . 16114 1 562 . 1 1 60 60 GLU N N 15 123.237 0.000 . 1 . . . . 60 E N . 16114 1 563 . 1 1 61 61 ASP H H 1 8.076 0.000 . 1 . . . . 61 D H . 16114 1 564 . 1 1 61 61 ASP HA H 1 4.265 0.000 . 1 . . . . 61 D HA . 16114 1 565 . 1 1 61 61 ASP HB2 H 1 2.690 0.000 . 2 . . . . 61 D HB2 . 16114 1 566 . 1 1 61 61 ASP HB3 H 1 2.434 0.000 . 2 . . . . 61 D HB3 . 16114 1 567 . 1 1 61 61 ASP CA C 13 54.398 0.000 . 1 . . . . 61 D CA . 16114 1 568 . 1 1 61 61 ASP CB C 13 38.340 0.004 . 1 . . . . 61 D CB . 16114 1 569 . 1 1 61 61 ASP N N 15 120.701 0.000 . 1 . . . . 61 D N . 16114 1 570 . 1 1 62 62 GLY HA2 H 1 4.104 0.000 . 2 . . . . 62 G HA2 . 16114 1 571 . 1 1 62 62 GLY HA3 H 1 3.832 0.000 . 2 . . . . 62 G HA3 . 16114 1 572 . 1 1 62 62 GLY CA C 13 42.576 0.004 . 1 . . . . 62 G CA . 16114 1 573 . 1 1 63 63 ARG H H 1 7.319 0.000 . 1 . . . . 63 R H . 16114 1 574 . 1 1 63 63 ARG HA H 1 4.595 0.000 . 1 . . . . 63 R HA . 16114 1 575 . 1 1 63 63 ARG HD2 H 1 3.045 0.000 . 2 . . . . 63 R HD2 . 16114 1 576 . 1 1 63 63 ARG HD3 H 1 2.957 0.000 . 2 . . . . 63 R HD3 . 16114 1 577 . 1 1 63 63 ARG HG2 H 1 1.711 0.000 . 2 . . . . 63 R HG2 . 16114 1 578 . 1 1 63 63 ARG HG3 H 1 1.538 0.000 . 2 . . . . 63 R HG3 . 16114 1 579 . 1 1 63 63 ARG CA C 13 51.971 0.000 . 1 . . . . 63 R CA . 16114 1 580 . 1 1 63 63 ARG CD C 13 40.228 0.006 . 1 . . . . 63 R CD . 16114 1 581 . 1 1 63 63 ARG CG C 13 24.900 0.000 . 1 . . . . 63 R CG . 16114 1 582 . 1 1 63 63 ARG N N 15 119.206 0.000 . 1 . . . . 63 R N . 16114 1 583 . 1 1 64 64 THR H H 1 8.735 0.000 . 1 . . . . 64 T H . 16114 1 584 . 1 1 64 64 THR HA H 1 5.208 0.000 . 1 . . . . 64 T HA . 16114 1 585 . 1 1 64 64 THR HB H 1 4.513 0.000 . 1 . . . . 64 T HB . 16114 1 586 . 1 1 64 64 THR HG21 H 1 1.093 0.000 . . . . . . 64 T QG2 . 16114 1 587 . 1 1 64 64 THR HG22 H 1 1.093 0.000 . . . . . . 64 T QG2 . 16114 1 588 . 1 1 64 64 THR HG23 H 1 1.093 0.000 . . . . . . 64 T QG2 . 16114 1 589 . 1 1 64 64 THR CA C 13 57.126 0.000 . 1 . . . . 64 T CA . 16114 1 590 . 1 1 64 64 THR CB C 13 69.885 0.000 . 1 . . . . 64 T CB . 16114 1 591 . 1 1 64 64 THR CG2 C 13 19.638 0.000 . 1 . . . . 64 T CG2 . 16114 1 592 . 1 1 64 64 THR N N 15 108.713 0.000 . 1 . . . . 64 T N . 16114 1 593 . 1 1 65 65 LEU H H 1 8.241 0.000 . 1 . . . . 65 L H . 16114 1 594 . 1 1 65 65 LEU HA H 1 4.003 0.000 . 1 . . . . 65 L HA . 16114 1 595 . 1 1 65 65 LEU HB2 H 1 2.079 0.000 . 2 . . . . 65 L HB2 . 16114 1 596 . 1 1 65 65 LEU HB3 H 1 1.491 0.000 . 2 . . . . 65 L HB3 . 16114 1 597 . 1 1 65 65 LEU HD11 H 1 0.687 0.000 . . . . . . 65 L QD1 . 16114 1 598 . 1 1 65 65 LEU HD12 H 1 0.687 0.000 . . . . . . 65 L QD1 . 16114 1 599 . 1 1 65 65 LEU HD13 H 1 0.687 0.000 . . . . . . 65 L QD1 . 16114 1 600 . 1 1 65 65 LEU HD21 H 1 0.553 0.000 . . . . . . 65 L QD2 . 16114 1 601 . 1 1 65 65 LEU HD22 H 1 0.553 0.000 . . . . . . 65 L QD2 . 16114 1 602 . 1 1 65 65 LEU HD23 H 1 0.553 0.000 . . . . . . 65 L QD2 . 16114 1 603 . 1 1 65 65 LEU HG H 1 1.704 0.000 . 1 . . . . 65 L HG . 16114 1 604 . 1 1 65 65 LEU CA C 13 56.409 0.000 . 1 . . . . 65 L CA . 16114 1 605 . 1 1 65 65 LEU CB C 13 37.179 0.006 . 1 . . . . 65 L CB . 16114 1 606 . 1 1 65 65 LEU CD1 C 13 23.721 0.000 . 2 . . . . 65 L CD1 . 16114 1 607 . 1 1 65 65 LEU CD2 C 13 20.533 0.000 . 2 . . . . 65 L CD2 . 16114 1 608 . 1 1 65 65 LEU CG C 13 22.808 0.000 . 1 . . . . 65 L CG . 16114 1 609 . 1 1 65 65 LEU N N 15 118.111 0.000 . 1 . . . . 65 L N . 16114 1 610 . 1 1 66 66 SER H H 1 8.296 0.000 . 1 . . . . 66 S H . 16114 1 611 . 1 1 66 66 SER HA H 1 4.201 0.000 . 1 . . . . 66 S HA . 16114 1 612 . 1 1 66 66 SER HB2 H 1 3.821 0.000 . 2 . . . . 66 S HB2 . 16114 1 613 . 1 1 66 66 SER HB3 H 1 3.745 0.000 . 2 . . . . 66 S HB3 . 16114 1 614 . 1 1 66 66 SER CA C 13 58.454 0.000 . 1 . . . . 66 S CA . 16114 1 615 . 1 1 66 66 SER CB C 13 59.969 0.001 . 1 . . . . 66 S CB . 16114 1 616 . 1 1 66 66 SER N N 15 113.148 0.000 . 1 . . . . 66 S N . 16114 1 617 . 1 1 67 67 ASP H H 1 7.984 0.000 . 1 . . . . 67 D H . 16114 1 618 . 1 1 67 67 ASP HA H 1 4.187 0.000 . 1 . . . . 67 D HA . 16114 1 619 . 1 1 67 67 ASP HB2 H 1 2.946 0.000 . 2 . . . . 67 D HB2 . 16114 1 620 . 1 1 67 67 ASP HB3 H 1 2.289 0.000 . 2 . . . . 67 D HB3 . 16114 1 621 . 1 1 67 67 ASP CA C 13 54.744 0.000 . 1 . . . . 67 D CA . 16114 1 622 . 1 1 67 67 ASP CB C 13 37.794 0.000 . 1 . . . . 67 D CB . 16114 1 623 . 1 1 67 67 ASP N N 15 124.130 0.000 . 1 . . . . 67 D N . 16114 1 624 . 1 1 68 68 TYR H H 1 7.177 0.000 . 1 . . . . 68 Y H . 16114 1 625 . 1 1 68 68 TYR N N 15 115.334 0.000 . 1 . . . . 68 Y N . 16114 1 626 . 1 1 69 69 ASN H H 1 8.111 0.000 . 1 . . . . 69 N H . 16114 1 627 . 1 1 69 69 ASN HA H 1 4.253 0.000 . 1 . . . . 69 N HA . 16114 1 628 . 1 1 69 69 ASN HB2 H 1 3.435 0.000 . 2 . . . . 69 N HB2 . 16114 1 629 . 1 1 69 69 ASN HB3 H 1 2.725 0.000 . 2 . . . . 69 N HB3 . 16114 1 630 . 1 1 69 69 ASN CA C 13 51.386 0.000 . 1 . . . . 69 N CA . 16114 1 631 . 1 1 69 69 ASN CB C 13 34.867 0.001 . 1 . . . . 69 N CB . 16114 1 632 . 1 1 69 69 ASN N N 15 116.867 0.000 . 1 . . . . 69 N N . 16114 1 633 . 1 1 70 70 ILE H H 1 7.460 0.000 . 1 . . . . 70 I H . 16114 1 634 . 1 1 70 70 ILE HA H 1 3.210 0.000 . 1 . . . . 70 I HA . 16114 1 635 . 1 1 70 70 ILE HB H 1 1.244 0.000 . 1 . . . . 70 I HB . 16114 1 636 . 1 1 70 70 ILE HD11 H 1 0.101 0.000 . . . . . . 70 I QD1 . 16114 1 637 . 1 1 70 70 ILE HD12 H 1 0.101 0.000 . . . . . . 70 I QD1 . 16114 1 638 . 1 1 70 70 ILE HD13 H 1 0.101 0.000 . . . . . . 70 I QD1 . 16114 1 639 . 1 1 70 70 ILE HG12 H 1 1.202 0.000 . 2 . . . . 70 I HG12 . 16114 1 640 . 1 1 70 70 ILE HG13 H 1 1.248 0.000 . 2 . . . . 70 I HG13 . 16114 1 641 . 1 1 70 70 ILE HG21 H 1 0.390 0.000 . . . . . . 70 I QG2 . 16114 1 642 . 1 1 70 70 ILE HG22 H 1 0.390 0.000 . . . . . . 70 I QG2 . 16114 1 643 . 1 1 70 70 ILE HG23 H 1 0.390 0.000 . . . . . . 70 I QG2 . 16114 1 644 . 1 1 70 70 ILE CA C 13 60.157 0.000 . 1 . . . . 70 I CA . 16114 1 645 . 1 1 70 70 ILE CB C 13 34.754 0.000 . 1 . . . . 70 I CB . 16114 1 646 . 1 1 70 70 ILE CD1 C 13 11.742 0.000 . 1 . . . . 70 I CD1 . 16114 1 647 . 1 1 70 70 ILE CG1 C 13 24.467 0.015 . 1 . . . . 70 I CG1 . 16114 1 648 . 1 1 70 70 ILE CG2 C 13 14.692 0.000 . 1 . . . . 70 I CG2 . 16114 1 649 . 1 1 70 70 ILE N N 15 119.821 0.000 . 1 . . . . 70 I N . 16114 1 650 . 1 1 71 71 GLN H H 1 7.368 0.000 . 1 . . . . 71 Q H . 16114 1 651 . 1 1 71 71 GLN HA H 1 4.099 0.000 . 1 . . . . 71 Q HA . 16114 1 652 . 1 1 71 71 GLN HB2 H 1 1.956 0.000 . 2 . . . . 71 Q HB2 . 16114 1 653 . 1 1 71 71 GLN HB3 H 1 1.708 0.000 . 2 . . . . 71 Q HB3 . 16114 1 654 . 1 1 71 71 GLN HG2 H 1 2.154 0.000 . 2 . . . . 71 Q HG2 . 16114 1 655 . 1 1 71 71 GLN HG3 H 1 2.048 0.000 . 2 . . . . 71 Q HG3 . 16114 1 656 . 1 1 71 71 GLN CA C 13 50.906 0.000 . 1 . . . . 71 Q CA . 16114 1 657 . 1 1 71 71 GLN CB C 13 28.793 0.004 . 1 . . . . 71 Q CB . 16114 1 658 . 1 1 71 71 GLN CG C 13 30.694 0.003 . 1 . . . . 71 Q CG . 16114 1 659 . 1 1 71 71 GLN N N 15 124.287 0.000 . 1 . . . . 71 Q N . 16114 1 660 . 1 1 72 72 ARG H H 1 7.583 0.000 . 1 . . . . 72 R H . 16114 1 661 . 1 1 72 72 ARG HA H 1 3.907 0.000 . 1 . . . . 72 R HA . 16114 1 662 . 1 1 72 72 ARG HB2 H 1 1.388 0.000 . 2 . . . . 72 R HB2 . 16114 1 663 . 1 1 72 72 ARG HB3 H 1 1.774 0.000 . 2 . . . . 72 R HB3 . 16114 1 664 . 1 1 72 72 ARG HD2 H 1 3.122 0.000 . 2 . . . . 72 R QD . 16114 1 665 . 1 1 72 72 ARG HD3 H 1 3.122 0.000 . 2 . . . . 72 R QD . 16114 1 666 . 1 1 72 72 ARG HG2 H 1 1.560 0.000 . 2 . . . . 72 R HG2 . 16114 1 667 . 1 1 72 72 ARG HG3 H 1 1.440 0.000 . 2 . . . . 72 R HG3 . 16114 1 668 . 1 1 72 72 ARG CA C 13 54.527 0.000 . 1 . . . . 72 R CA . 16114 1 669 . 1 1 72 72 ARG CB C 13 27.470 0.003 . 1 . . . . 72 R CB . 16114 1 670 . 1 1 72 72 ARG CD C 13 40.768 0.000 . 1 . . . . 72 R CD . 16114 1 671 . 1 1 72 72 ARG CG C 13 23.326 0.002 . 1 . . . . 72 R CG . 16114 1 672 . 1 1 72 72 ARG N N 15 119.007 0.000 . 1 . . . . 72 R N . 16114 1 673 . 1 1 73 73 GLU H H 1 9.262 0.000 . 1 . . . . 73 E H . 16114 1 674 . 1 1 73 73 GLU HA H 1 3.586 0.000 . 1 . . . . 73 E HA . 16114 1 675 . 1 1 73 73 GLU HB2 H 1 2.513 0.000 . 2 . . . . 73 E HB2 . 16114 1 676 . 1 1 73 73 GLU HB3 H 1 2.363 0.000 . 2 . . . . 73 E HB3 . 16114 1 677 . 1 1 73 73 GLU HG2 H 1 2.310 0.000 . 2 . . . . 73 E HG2 . 16114 1 678 . 1 1 73 73 GLU HG3 H 1 2.236 0.000 . 2 . . . . 73 E HG3 . 16114 1 679 . 1 1 73 73 GLU CA C 13 55.703 0.000 . 1 . . . . 73 E CA . 16114 1 680 . 1 1 73 73 GLU CB C 13 23.669 0.004 . 1 . . . . 73 E CB . 16114 1 681 . 1 1 73 73 GLU CG C 13 34.335 0.003 . 1 . . . . 73 E CG . 16114 1 682 . 1 1 73 73 GLU N N 15 115.180 0.000 . 1 . . . . 73 E N . 16114 1 683 . 1 1 74 74 SER H H 1 7.551 0.000 . 1 . . . . 74 S H . 16114 1 684 . 1 1 74 74 SER HA H 1 4.613 0.000 . 1 . . . . 74 S HA . 16114 1 685 . 1 1 74 74 SER HB2 H 1 3.712 0.000 . 2 . . . . 74 S HB2 . 16114 1 686 . 1 1 74 74 SER HB3 H 1 3.482 0.000 . 2 . . . . 74 S HB3 . 16114 1 687 . 1 1 74 74 SER CA C 13 58.305 0.000 . 1 . . . . 74 S CA . 16114 1 688 . 1 1 74 74 SER CB C 13 62.156 0.000 . 1 . . . . 74 S CB . 16114 1 689 . 1 1 74 74 SER N N 15 115.104 0.000 . 1 . . . . 74 S N . 16114 1 690 . 1 1 75 75 THR H H 1 8.785 0.000 . 1 . . . . 75 T H . 16114 1 691 . 1 1 75 75 THR HA H 1 5.014 0.000 . 1 . . . . 75 T HA . 16114 1 692 . 1 1 75 75 THR HB H 1 4.027 0.000 . 1 . . . . 75 T HB . 16114 1 693 . 1 1 75 75 THR HG21 H 1 0.758 0.000 . . . . . . 75 T QG2 . 16114 1 694 . 1 1 75 75 THR HG22 H 1 0.758 0.000 . . . . . . 75 T QG2 . 16114 1 695 . 1 1 75 75 THR HG23 H 1 0.758 0.000 . . . . . . 75 T QG2 . 16114 1 696 . 1 1 75 75 THR CA C 13 59.835 0.000 . 1 . . . . 75 T CA . 16114 1 697 . 1 1 75 75 THR CB C 13 67.258 0.000 . 1 . . . . 75 T CB . 16114 1 698 . 1 1 75 75 THR CG2 C 13 18.940 0.000 . 1 . . . . 75 T CG2 . 16114 1 699 . 1 1 75 75 THR N N 15 118.401 0.000 . 1 . . . . 75 T N . 16114 1 700 . 1 1 76 76 LEU H H 1 9.447 0.000 . 1 . . . . 76 L H . 16114 1 701 . 1 1 76 76 LEU HA H 1 4.930 0.000 . 1 . . . . 76 L HA . 16114 1 702 . 1 1 76 76 LEU HB2 H 1 1.434 0.000 . 2 . . . . 76 L HB2 . 16114 1 703 . 1 1 76 76 LEU HB3 H 1 1.544 0.000 . 2 . . . . 76 L HB3 . 16114 1 704 . 1 1 76 76 LEU HD11 H 1 0.546 0.000 . . . . . . 76 L QD1 . 16114 1 705 . 1 1 76 76 LEU HD12 H 1 0.546 0.000 . . . . . . 76 L QD1 . 16114 1 706 . 1 1 76 76 LEU HD13 H 1 0.546 0.000 . . . . . . 76 L QD1 . 16114 1 707 . 1 1 76 76 LEU HD21 H 1 0.588 0.000 . . . . . . 76 L QD2 . 16114 1 708 . 1 1 76 76 LEU HD22 H 1 0.588 0.000 . . . . . . 76 L QD2 . 16114 1 709 . 1 1 76 76 LEU HD23 H 1 0.588 0.000 . . . . . . 76 L QD2 . 16114 1 710 . 1 1 76 76 LEU HG H 1 1.709 0.000 . 1 . . . . 76 L HG . 16114 1 711 . 1 1 76 76 LEU CA C 13 51.107 0.000 . 1 . . . . 76 L CA . 16114 1 712 . 1 1 76 76 LEU CB C 13 40.841 0.004 . 1 . . . . 76 L CB . 16114 1 713 . 1 1 76 76 LEU CD1 C 13 22.047 0.000 . 2 . . . . 76 L CD1 . 16114 1 714 . 1 1 76 76 LEU CD2 C 13 22.732 0.000 . 2 . . . . 76 L CD2 . 16114 1 715 . 1 1 76 76 LEU CG C 13 26.296 0.000 . 1 . . . . 76 L CG . 16114 1 716 . 1 1 76 76 LEU N N 15 127.905 0.000 . 1 . . . . 76 L N . 16114 1 717 . 1 1 77 77 HIS HA H 1 4.976 0.000 . 1 . . . . 77 H HA . 16114 1 718 . 1 1 77 77 HIS HB2 H 1 2.863 0.000 . 2 . . . . 77 H QB . 16114 1 719 . 1 1 77 77 HIS HB3 H 1 2.863 0.000 . 2 . . . . 77 H QB . 16114 1 720 . 1 1 77 77 HIS CA C 13 53.776 0.000 . 1 . . . . 77 H CA . 16114 1 721 . 1 1 77 77 HIS CB C 13 28.438 0.000 . 1 . . . . 77 H CB . 16114 1 722 . 1 1 78 78 LEU H H 1 8.450 0.000 . 1 . . . . 78 L H . 16114 1 723 . 1 1 78 78 LEU HA H 1 5.085 0.000 . 1 . . . . 78 L HA . 16114 1 724 . 1 1 78 78 LEU HB2 H 1 0.887 0.000 . 2 . . . . 78 L HB2 . 16114 1 725 . 1 1 78 78 LEU HB3 H 1 1.439 0.000 . 2 . . . . 78 L HB3 . 16114 1 726 . 1 1 78 78 LEU HD11 H 1 0.577 0.000 . . . . . . 78 L QD1 . 16114 1 727 . 1 1 78 78 LEU HD12 H 1 0.577 0.000 . . . . . . 78 L QD1 . 16114 1 728 . 1 1 78 78 LEU HD13 H 1 0.577 0.000 . . . . . . 78 L QD1 . 16114 1 729 . 1 1 78 78 LEU HD21 H 1 0.748 0.000 . . . . . . 78 L QD2 . 16114 1 730 . 1 1 78 78 LEU HD22 H 1 0.748 0.000 . . . . . . 78 L QD2 . 16114 1 731 . 1 1 78 78 LEU HD23 H 1 0.748 0.000 . . . . . . 78 L QD2 . 16114 1 732 . 1 1 78 78 LEU HG H 1 1.228 0.000 . 1 . . . . 78 L HG . 16114 1 733 . 1 1 78 78 LEU CA C 13 50.896 0.000 . 1 . . . . 78 L CA . 16114 1 734 . 1 1 78 78 LEU CB C 13 41.916 0.000 . 1 . . . . 78 L CB . 16114 1 735 . 1 1 78 78 LEU CD1 C 13 23.326 0.000 . 2 . . . . 78 L CD1 . 16114 1 736 . 1 1 78 78 LEU CD2 C 13 20.400 0.000 . 2 . . . . 78 L CD2 . 16114 1 737 . 1 1 78 78 LEU CG C 13 24.839 0.000 . 1 . . . . 78 L CG . 16114 1 738 . 1 1 78 78 LEU N N 15 126.178 0.000 . 1 . . . . 78 L N . 16114 1 739 . 1 1 79 79 VAL H H 1 9.093 0.000 . 1 . . . . 79 V H . 16114 1 740 . 1 1 79 79 VAL HA H 1 4.053 0.000 . 1 . . . . 79 V HA . 16114 1 741 . 1 1 79 79 VAL HB H 1 1.722 0.000 . 1 . . . . 79 V HB . 16114 1 742 . 1 1 79 79 VAL HG11 H 1 0.840 0.000 . . . . . . 79 V QG1 . 16114 1 743 . 1 1 79 79 VAL HG12 H 1 0.840 0.000 . . . . . . 79 V QG1 . 16114 1 744 . 1 1 79 79 VAL HG13 H 1 0.840 0.000 . . . . . . 79 V QG1 . 16114 1 745 . 1 1 79 79 VAL HG21 H 1 0.767 0.000 . . . . . . 79 V QG2 . 16114 1 746 . 1 1 79 79 VAL HG22 H 1 0.767 0.000 . . . . . . 79 V QG2 . 16114 1 747 . 1 1 79 79 VAL HG23 H 1 0.767 0.000 . . . . . . 79 V QG2 . 16114 1 748 . 1 1 79 79 VAL CA C 13 59.054 0.000 . 1 . . . . 79 V CA . 16114 1 749 . 1 1 79 79 VAL CB C 13 32.115 0.000 . 1 . . . . 79 V CB . 16114 1 750 . 1 1 79 79 VAL CG1 C 13 18.865 0.000 . 2 . . . . 79 V CG1 . 16114 1 751 . 1 1 79 79 VAL CG2 C 13 19.422 0.000 . 2 . . . . 79 V CG2 . 16114 1 752 . 1 1 79 79 VAL N N 15 128.372 0.000 . 1 . . . . 79 V N . 16114 1 753 . 1 1 80 80 LEU H H 1 8.000 0.000 . 1 . . . . 80 L H . 16114 1 754 . 1 1 80 80 LEU HA H 1 5.105 0.000 . 1 . . . . 80 L HA . 16114 1 755 . 1 1 80 80 LEU HB2 H 1 1.670 0.000 . 2 . . . . 80 L HB2 . 16114 1 756 . 1 1 80 80 LEU HB3 H 1 1.449 0.000 . 2 . . . . 80 L HB3 . 16114 1 757 . 1 1 80 80 LEU HD11 H 1 0.878 0.000 . . . . . . 80 L QD1 . 16114 1 758 . 1 1 80 80 LEU HD12 H 1 0.878 0.000 . . . . . . 80 L QD1 . 16114 1 759 . 1 1 80 80 LEU HD13 H 1 0.878 0.000 . . . . . . 80 L QD1 . 16114 1 760 . 1 1 80 80 LEU HD21 H 1 0.773 0.000 . . . . . . 80 L QD2 . 16114 1 761 . 1 1 80 80 LEU HD22 H 1 0.773 0.000 . . . . . . 80 L QD2 . 16114 1 762 . 1 1 80 80 LEU HD23 H 1 0.773 0.000 . . . . . . 80 L QD2 . 16114 1 763 . 1 1 80 80 LEU HG H 1 1.593 0.000 . 1 . . . . 80 L HG . 16114 1 764 . 1 1 80 80 LEU CA C 13 50.556 0.000 . 1 . . . . 80 L CA . 16114 1 765 . 1 1 80 80 LEU CB C 13 39.597 0.001 . 1 . . . . 80 L CB . 16114 1 766 . 1 1 80 80 LEU CD1 C 13 22.358 0.000 . 2 . . . . 80 L CD1 . 16114 1 767 . 1 1 80 80 LEU CD2 C 13 21.848 0.000 . 2 . . . . 80 L CD2 . 16114 1 768 . 1 1 80 80 LEU CG C 13 25.320 0.000 . 1 . . . . 80 L CG . 16114 1 769 . 1 1 80 80 LEU N N 15 126.145 0.000 . 1 . . . . 80 L N . 16114 1 770 . 1 1 81 81 ARG H H 1 8.470 0.000 . 1 . . . . 81 R H . 16114 1 771 . 1 1 81 81 ARG HA H 1 4.197 0.000 . 1 . . . . 81 R HA . 16114 1 772 . 1 1 81 81 ARG HB2 H 1 1.574 0.000 . 2 . . . . 81 R HB2 . 16114 1 773 . 1 1 81 81 ARG HB3 H 1 1.482 0.000 . 2 . . . . 81 R HB3 . 16114 1 774 . 1 1 81 81 ARG HD2 H 1 3.098 0.000 . 2 . . . . 81 R QD . 16114 1 775 . 1 1 81 81 ARG HD3 H 1 3.098 0.000 . 2 . . . . 81 R QD . 16114 1 776 . 1 1 81 81 ARG HG2 H 1 1.821 0.000 . 2 . . . . 81 R HG2 . 16114 1 777 . 1 1 81 81 ARG HG3 H 1 1.743 0.000 . 2 . . . . 81 R HG3 . 16114 1 778 . 1 1 81 81 ARG CA C 13 53.133 0.000 . 1 . . . . 81 R CA . 16114 1 779 . 1 1 81 81 ARG CB C 13 28.413 0.006 . 1 . . . . 81 R CB . 16114 1 780 . 1 1 81 81 ARG CD C 13 40.775 0.000 . 1 . . . . 81 R CD . 16114 1 781 . 1 1 81 81 ARG CG C 13 25.182 0.002 . 1 . . . . 81 R CG . 16114 1 782 . 1 1 81 81 ARG N N 15 121.625 0.000 . 1 . . . . 81 R N . 16114 1 783 . 1 1 82 82 LEU H H 1 8.454 0.000 . 1 . . . . 82 L H . 16114 1 784 . 1 1 82 82 LEU HA H 1 4.339 0.000 . 1 . . . . 82 L HA . 16114 1 785 . 1 1 82 82 LEU HB2 H 1 1.633 0.000 . 2 . . . . 82 L HB2 . 16114 1 786 . 1 1 82 82 LEU HB3 H 1 1.488 0.000 . 2 . . . . 82 L HB3 . 16114 1 787 . 1 1 82 82 LEU HD11 H 1 0.869 0.000 . . . . . . 82 L QD1 . 16114 1 788 . 1 1 82 82 LEU HD12 H 1 0.869 0.000 . . . . . . 82 L QD1 . 16114 1 789 . 1 1 82 82 LEU HD13 H 1 0.869 0.000 . . . . . . 82 L QD1 . 16114 1 790 . 1 1 82 82 LEU HD21 H 1 0.806 0.000 . . . . . . 82 L QD2 . 16114 1 791 . 1 1 82 82 LEU HD22 H 1 0.806 0.000 . . . . . . 82 L QD2 . 16114 1 792 . 1 1 82 82 LEU HD23 H 1 0.806 0.000 . . . . . . 82 L QD2 . 16114 1 793 . 1 1 82 82 LEU HG H 1 1.600 0.000 . 1 . . . . 82 L HG . 16114 1 794 . 1 1 82 82 LEU CA C 13 52.081 0.000 . 1 . . . . 82 L CA . 16114 1 795 . 1 1 82 82 LEU CB C 13 39.810 0.004 . 1 . . . . 82 L CB . 16114 1 796 . 1 1 82 82 LEU CD1 C 13 22.611 0.000 . 2 . . . . 82 L CD1 . 16114 1 797 . 1 1 82 82 LEU CD2 C 13 20.599 0.000 . 2 . . . . 82 L CD2 . 16114 1 798 . 1 1 82 82 LEU CG C 13 24.552 0.000 . 1 . . . . 82 L CG . 16114 1 799 . 1 1 82 82 LEU N N 15 123.832 0.000 . 1 . . . . 82 L N . 16114 1 800 . 1 1 83 83 ARG H H 1 8.404 0.000 . 1 . . . . 83 R H . 16114 1 801 . 1 1 83 83 ARG HA H 1 4.308 0.000 . 1 . . . . 83 R HA . 16114 1 802 . 1 1 83 83 ARG HB2 H 1 1.825 0.000 . 2 . . . . 83 R HB2 . 16114 1 803 . 1 1 83 83 ARG HB3 H 1 1.704 0.000 . 2 . . . . 83 R HB3 . 16114 1 804 . 1 1 83 83 ARG HD2 H 1 1.627 0.000 . 2 . . . . 83 R HD2 . 16114 1 805 . 1 1 83 83 ARG HD3 H 1 1.578 0.000 . 2 . . . . 83 R HD3 . 16114 1 806 . 1 1 83 83 ARG HG2 H 1 1.822 0.000 . 2 . . . . 83 R HG2 . 16114 1 807 . 1 1 83 83 ARG HG3 H 1 1.703 0.000 . 2 . . . . 83 R HG3 . 16114 1 808 . 1 1 83 83 ARG CA C 13 53.258 0.000 . 1 . . . . 83 R CA . 16114 1 809 . 1 1 83 83 ARG CB C 13 28.160 0.001 . 1 . . . . 83 R CB . 16114 1 810 . 1 1 83 83 ARG CD C 13 40.635 0.001 . 1 . . . . 83 R CD . 16114 1 811 . 1 1 83 83 ARG CG C 13 24.354 0.005 . 1 . . . . 83 R CG . 16114 1 812 . 1 1 83 83 ARG N N 15 121.447 0.000 . 1 . . . . 83 R N . 16114 1 813 . 1 1 84 84 GLY H H 1 8.410 0.000 . 1 . . . . 84 G H . 16114 1 814 . 1 1 84 84 GLY HA2 H 1 3.929 0.000 . 2 . . . . 84 G QA . 16114 1 815 . 1 1 84 84 GLY HA3 H 1 3.929 0.000 . 2 . . . . 84 G QA . 16114 1 816 . 1 1 84 84 GLY CA C 13 42.751 0.000 . 1 . . . . 84 G CA . 16114 1 817 . 1 1 84 84 GLY N N 15 110.030 0.000 . 1 . . . . 84 G N . 16114 1 818 . 1 1 85 85 GLY H H 1 8.295 0.000 . 1 . . . . 85 G H . 16114 1 819 . 1 1 85 85 GLY HA2 H 1 3.950 0.000 . 2 . . . . 85 G QA . 16114 1 820 . 1 1 85 85 GLY HA3 H 1 3.950 0.000 . 2 . . . . 85 G QA . 16114 1 821 . 1 1 85 85 GLY CA C 13 42.831 0.000 . 1 . . . . 85 G CA . 16114 1 822 . 1 1 85 85 GLY N N 15 108.838 0.000 . 1 . . . . 85 G N . 16114 1 823 . 1 1 86 86 SER H H 1 8.292 0.000 . 1 . . . . 86 S H . 16114 1 824 . 1 1 86 86 SER HA H 1 4.405 0.000 . 1 . . . . 86 S HA . 16114 1 825 . 1 1 86 86 SER HB2 H 1 3.909 0.000 . 2 . . . . 86 S HB2 . 16114 1 826 . 1 1 86 86 SER HB3 H 1 3.843 0.000 . 2 . . . . 86 S HB3 . 16114 1 827 . 1 1 86 86 SER CA C 13 55.965 0.000 . 1 . . . . 86 S CA . 16114 1 828 . 1 1 86 86 SER CB C 13 61.232 0.001 . 1 . . . . 86 S CB . 16114 1 829 . 1 1 86 86 SER N N 15 116.028 0.000 . 1 . . . . 86 S N . 16114 1 830 . 1 1 87 87 MET H H 1 8.470 0.000 . 1 . . . . 87 M H . 16114 1 831 . 1 1 87 87 MET HA H 1 4.447 0.000 . 1 . . . . 87 M HA . 16114 1 832 . 1 1 87 87 MET HB2 H 1 2.115 0.000 . 2 . . . . 87 M HB2 . 16114 1 833 . 1 1 87 87 MET HB3 H 1 2.016 0.000 . 2 . . . . 87 M HB3 . 16114 1 834 . 1 1 87 87 MET HG2 H 1 2.587 0.000 . 2 . . . . 87 M HG2 . 16114 1 835 . 1 1 87 87 MET HG3 H 1 2.498 0.000 . 2 . . . . 87 M HG3 . 16114 1 836 . 1 1 87 87 MET CA C 13 53.281 0.000 . 1 . . . . 87 M CA . 16114 1 837 . 1 1 87 87 MET CB C 13 29.788 0.003 . 1 . . . . 87 M CB . 16114 1 838 . 1 1 87 87 MET CG C 13 29.488 0.001 . 1 . . . . 87 M CG . 16114 1 839 . 1 1 87 87 MET N N 15 121.625 0.000 . 1 . . . . 87 M N . 16114 1 840 . 1 1 88 88 GLY H H 1 8.320 0.000 . 1 . . . . 88 G H . 16114 1 841 . 1 1 88 88 GLY HA2 H 1 3.919 0.000 . 2 . . . . 88 G HA2 . 16114 1 842 . 1 1 88 88 GLY HA3 H 1 3.896 0.000 . 2 . . . . 88 G HA3 . 16114 1 843 . 1 1 88 88 GLY CA C 13 43.060 0.000 . 1 . . . . 88 G CA . 16114 1 844 . 1 1 88 88 GLY N N 15 109.625 0.000 . 1 . . . . 88 G N . 16114 1 845 . 1 1 89 89 GLY H H 1 8.256 0.000 . 1 . . . . 89 G H . 16114 1 846 . 1 1 89 89 GLY HA2 H 1 3.940 0.000 . 2 . . . . 89 G HA2 . 16114 1 847 . 1 1 89 89 GLY HA3 H 1 3.910 0.000 . 2 . . . . 89 G HA3 . 16114 1 848 . 1 1 89 89 GLY CA C 13 42.678 0.007 . 1 . . . . 89 G CA . 16114 1 849 . 1 1 89 89 GLY N N 15 108.982 0.000 . 1 . . . . 89 G N . 16114 1 850 . 1 1 90 90 ALA H H 1 8.203 0.000 . 1 . . . . 90 A H . 16114 1 851 . 1 1 90 90 ALA HA H 1 4.255 0.000 . 1 . . . . 90 A HA . 16114 1 852 . 1 1 90 90 ALA HB1 H 1 1.393 0.000 . . . . . . 90 A QB . 16114 1 853 . 1 1 90 90 ALA HB2 H 1 1.393 0.000 . . . . . . 90 A QB . 16114 1 854 . 1 1 90 90 ALA HB3 H 1 1.393 0.000 . . . . . . 90 A QB . 16114 1 855 . 1 1 90 90 ALA CA C 13 50.763 0.000 . 1 . . . . 90 A CA . 16114 1 856 . 1 1 90 90 ALA CB C 13 16.364 0.000 . 1 . . . . 90 A CB . 16114 1 857 . 1 1 90 90 ALA N N 15 124.065 0.000 . 1 . . . . 90 A N . 16114 1 858 . 1 1 91 91 ALA H H 1 8.273 0.000 . 1 . . . . 91 A H . 16114 1 859 . 1 1 91 91 ALA HA H 1 4.204 0.000 . 1 . . . . 91 A HA . 16114 1 860 . 1 1 91 91 ALA HB1 H 1 1.371 0.000 . . . . . . 91 A QB . 16114 1 861 . 1 1 91 91 ALA HB2 H 1 1.371 0.000 . . . . . . 91 A QB . 16114 1 862 . 1 1 91 91 ALA HB3 H 1 1.371 0.000 . . . . . . 91 A QB . 16114 1 863 . 1 1 91 91 ALA CA C 13 51.080 0.000 . 1 . . . . 91 A CA . 16114 1 864 . 1 1 91 91 ALA CB C 13 16.036 0.000 . 1 . . . . 91 A CB . 16114 1 865 . 1 1 91 91 ALA N N 15 121.985 0.000 . 1 . . . . 91 A N . 16114 1 866 . 1 1 92 92 ASP H H 1 8.022 0.000 . 1 . . . . 92 D H . 16114 1 867 . 1 1 92 92 ASP HA H 1 4.455 0.000 . 1 . . . . 92 D HA . 16114 1 868 . 1 1 92 92 ASP HB2 H 1 2.708 0.000 . 2 . . . . 92 D HB2 . 16114 1 869 . 1 1 92 92 ASP HB3 H 1 2.681 0.000 . 2 . . . . 92 D HB3 . 16114 1 870 . 1 1 92 92 ASP CA C 13 52.664 0.000 . 1 . . . . 92 D CA . 16114 1 871 . 1 1 92 92 ASP CB C 13 37.925 0.002 . 1 . . . . 92 D CB . 16114 1 872 . 1 1 92 92 ASP N N 15 118.621 0.000 . 1 . . . . 92 D N . 16114 1 873 . 1 1 93 93 GLU H H 1 8.282 0.000 . 1 . . . . 93 E H . 16114 1 874 . 1 1 93 93 GLU HA H 1 3.912 0.000 . 1 . . . . 93 E HA . 16114 1 875 . 1 1 93 93 GLU HB2 H 1 2.150 0.000 . 2 . . . . 93 E HB2 . 16114 1 876 . 1 1 93 93 GLU HB3 H 1 2.052 0.000 . 2 . . . . 93 E HB3 . 16114 1 877 . 1 1 93 93 GLU HG2 H 1 2.213 0.000 . 2 . . . . 93 E HG2 . 16114 1 878 . 1 1 93 93 GLU HG3 H 1 2.185 0.000 . 2 . . . . 93 E HG3 . 16114 1 879 . 1 1 93 93 GLU CA C 13 56.947 0.000 . 1 . . . . 93 E CA . 16114 1 880 . 1 1 93 93 GLU CB C 13 27.413 0.000 . 1 . . . . 93 E CB . 16114 1 881 . 1 1 93 93 GLU CG C 13 33.936 0.003 . 1 . . . . 93 E CG . 16114 1 882 . 1 1 93 93 GLU N N 15 122.247 0.000 . 1 . . . . 93 E N . 16114 1 883 . 1 1 94 94 GLU H H 1 8.194 0.000 . 1 . . . . 94 E H . 16114 1 884 . 1 1 94 94 GLU HA H 1 3.940 0.000 . 1 . . . . 94 E HA . 16114 1 885 . 1 1 94 94 GLU HB2 H 1 2.080 0.000 . 2 . . . . 94 E HB2 . 16114 1 886 . 1 1 94 94 GLU HB3 H 1 2.041 0.000 . 2 . . . . 94 E HB3 . 16114 1 887 . 1 1 94 94 GLU HG2 H 1 2.347 0.000 . 2 . . . . 94 E HG2 . 16114 1 888 . 1 1 94 94 GLU HG3 H 1 2.295 0.000 . 2 . . . . 94 E HG3 . 16114 1 889 . 1 1 94 94 GLU CA C 13 56.681 0.000 . 1 . . . . 94 E CA . 16114 1 890 . 1 1 94 94 GLU CB C 13 26.127 0.003 . 1 . . . . 94 E CB . 16114 1 891 . 1 1 94 94 GLU CG C 13 33.353 0.001 . 1 . . . . 94 E CG . 16114 1 892 . 1 1 94 94 GLU N N 15 118.024 0.000 . 1 . . . . 94 E N . 16114 1 893 . 1 1 95 95 GLU H H 1 7.816 0.000 . 1 . . . . 95 E H . 16114 1 894 . 1 1 95 95 GLU HA H 1 4.121 0.000 . 1 . . . . 95 E HA . 16114 1 895 . 1 1 95 95 GLU HB2 H 1 2.115 0.000 . 2 . . . . 95 E HB2 . 16114 1 896 . 1 1 95 95 GLU HB3 H 1 2.039 0.000 . 2 . . . . 95 E HB3 . 16114 1 897 . 1 1 95 95 GLU HG2 H 1 2.274 0.000 . 2 . . . . 95 E HG2 . 16114 1 898 . 1 1 95 95 GLU CA C 13 56.162 0.000 . 1 . . . . 95 E CA . 16114 1 899 . 1 1 95 95 GLU CB C 13 26.403 0.006 . 1 . . . . 95 E CB . 16114 1 900 . 1 1 95 95 GLU CG C 13 32.927 0.000 . 1 . . . . 95 E CG . 16114 1 901 . 1 1 95 95 GLU N N 15 120.028 0.000 . 1 . . . . 95 E N . 16114 1 902 . 1 1 96 96 LEU H H 1 7.637 0.000 . 1 . . . . 96 L H . 16114 1 903 . 1 1 96 96 LEU HA H 1 3.988 0.000 . 1 . . . . 96 L HA . 16114 1 904 . 1 1 96 96 LEU HB2 H 1 1.987 0.000 . 2 . . . . 96 L HB2 . 16114 1 905 . 1 1 96 96 LEU HB3 H 1 1.444 0.000 . 2 . . . . 96 L HB3 . 16114 1 906 . 1 1 96 96 LEU HD11 H 1 0.940 0.000 . . . . . . 96 L QD1 . 16114 1 907 . 1 1 96 96 LEU HD12 H 1 0.940 0.000 . . . . . . 96 L QD1 . 16114 1 908 . 1 1 96 96 LEU HD13 H 1 0.940 0.000 . . . . . . 96 L QD1 . 16114 1 909 . 1 1 96 96 LEU HD21 H 1 0.851 0.000 . . . . . . 96 L QD2 . 16114 1 910 . 1 1 96 96 LEU HD22 H 1 0.851 0.000 . . . . . . 96 L QD2 . 16114 1 911 . 1 1 96 96 LEU HD23 H 1 0.851 0.000 . . . . . . 96 L QD2 . 16114 1 912 . 1 1 96 96 LEU HG H 1 0.931 0.000 . 1 . . . . 96 L HG . 16114 1 913 . 1 1 96 96 LEU CA C 13 55.303 0.000 . 1 . . . . 96 L CA . 16114 1 914 . 1 1 96 96 LEU CB C 13 39.038 0.003 . 1 . . . . 96 L CB . 16114 1 915 . 1 1 96 96 LEU CD1 C 13 23.092 0.000 . 2 . . . . 96 L CD1 . 16114 1 916 . 1 1 96 96 LEU CD2 C 13 20.188 0.000 . 2 . . . . 96 L CD2 . 16114 1 917 . 1 1 96 96 LEU CG C 13 20.172 0.000 . 1 . . . . 96 L CG . 16114 1 918 . 1 1 96 96 LEU N N 15 119.866 0.000 . 1 . . . . 96 L N . 16114 1 919 . 1 1 97 97 ILE H H 1 8.044 0.000 . 1 . . . . 97 I H . 16114 1 920 . 1 1 97 97 ILE HA H 1 3.478 0.000 . 1 . . . . 97 I HA . 16114 1 921 . 1 1 97 97 ILE HB H 1 1.979 0.000 . 1 . . . . 97 I HB . 16114 1 922 . 1 1 97 97 ILE HD11 H 1 0.674 0.000 . . . . . . 97 I QD1 . 16114 1 923 . 1 1 97 97 ILE HD12 H 1 0.674 0.000 . . . . . . 97 I QD1 . 16114 1 924 . 1 1 97 97 ILE HD13 H 1 0.674 0.000 . . . . . . 97 I QD1 . 16114 1 925 . 1 1 97 97 ILE HG12 H 1 0.966 0.000 . 2 . . . . 97 I HG12 . 16114 1 926 . 1 1 97 97 ILE HG13 H 1 1.666 0.000 . 2 . . . . 97 I HG13 . 16114 1 927 . 1 1 97 97 ILE HG21 H 1 0.783 0.000 . . . . . . 97 I QG2 . 16114 1 928 . 1 1 97 97 ILE HG22 H 1 0.783 0.000 . . . . . . 97 I QG2 . 16114 1 929 . 1 1 97 97 ILE HG23 H 1 0.783 0.000 . . . . . . 97 I QG2 . 16114 1 930 . 1 1 97 97 ILE CA C 13 62.054 0.000 . 1 . . . . 97 I CA . 16114 1 931 . 1 1 97 97 ILE CB C 13 34.541 0.000 . 1 . . . . 97 I CB . 16114 1 932 . 1 1 97 97 ILE CD1 C 13 9.649 0.000 . 1 . . . . 97 I CD1 . 16114 1 933 . 1 1 97 97 ILE CG1 C 13 26.203 0.001 . 1 . . . . 97 I CG1 . 16114 1 934 . 1 1 97 97 ILE CG2 C 13 14.358 0.000 . 1 . . . . 97 I CG2 . 16114 1 935 . 1 1 97 97 ILE N N 15 119.088 0.000 . 1 . . . . 97 I N . 16114 1 936 . 1 1 98 98 ARG H H 1 7.991 0.000 . 1 . . . . 98 R H . 16114 1 937 . 1 1 98 98 ARG HA H 1 3.793 0.000 . 1 . . . . 98 R HA . 16114 1 938 . 1 1 98 98 ARG HB2 H 1 1.931 0.000 . 2 . . . . 98 R HB2 . 16114 1 939 . 1 1 98 98 ARG HB3 H 1 1.870 0.000 . 2 . . . . 98 R HB3 . 16114 1 940 . 1 1 98 98 ARG HD2 H 1 3.144 0.000 . 2 . . . . 98 R HD2 . 16114 1 941 . 1 1 98 98 ARG HD3 H 1 3.163 0.000 . 2 . . . . 98 R HD3 . 16114 1 942 . 1 1 98 98 ARG HG2 H 1 1.731 0.000 . 2 . . . . 98 R HG2 . 16114 1 943 . 1 1 98 98 ARG HG3 H 1 1.523 0.000 . 2 . . . . 98 R HG3 . 16114 1 944 . 1 1 98 98 ARG CA C 13 57.509 0.000 . 1 . . . . 98 R CA . 16114 1 945 . 1 1 98 98 ARG CB C 13 27.191 0.000 . 1 . . . . 98 R CB . 16114 1 946 . 1 1 98 98 ARG CD C 13 40.483 0.001 . 1 . . . . 98 R CD . 16114 1 947 . 1 1 98 98 ARG CG C 13 24.948 0.007 . 1 . . . . 98 R CG . 16114 1 948 . 1 1 98 98 ARG N N 15 119.225 0.000 . 1 . . . . 98 R N . 16114 1 949 . 1 1 99 99 LYS H H 1 8.101 0.000 . 1 . . . . 99 K H . 16114 1 950 . 1 1 99 99 LYS HA H 1 3.968 0.000 . 1 . . . . 99 K HA . 16114 1 951 . 1 1 99 99 LYS HB2 H 1 1.827 0.000 . 2 . . . . 99 K HB2 . 16114 1 952 . 1 1 99 99 LYS HB3 H 1 1.935 0.000 . 2 . . . . 99 K HB3 . 16114 1 953 . 1 1 99 99 LYS HD2 H 1 1.644 0.000 . 2 . . . . 99 K HD2 . 16114 1 954 . 1 1 99 99 LYS HD3 H 1 1.630 0.000 . 2 . . . . 99 K HD3 . 16114 1 955 . 1 1 99 99 LYS HE2 H 1 3.004 0.000 . 2 . . . . 99 K HE2 . 16114 1 956 . 1 1 99 99 LYS HE3 H 1 2.765 0.000 . 2 . . . . 99 K HE3 . 16114 1 957 . 1 1 99 99 LYS HG2 H 1 1.579 0.000 . 2 . . . . 99 K HG2 . 16114 1 958 . 1 1 99 99 LYS HG3 H 1 1.408 0.000 . 2 . . . . 99 K HG3 . 16114 1 959 . 1 1 99 99 LYS CA C 13 56.455 0.000 . 1 . . . . 99 K CA . 16114 1 960 . 1 1 99 99 LYS CB C 13 29.531 0.000 . 1 . . . . 99 K CB . 16114 1 961 . 1 1 99 99 LYS CD C 13 26.319 0.000 . 1 . . . . 99 K CD . 16114 1 962 . 1 1 99 99 LYS CE C 13 39.525 0.005 . 1 . . . . 99 K CE . 16114 1 963 . 1 1 99 99 LYS CG C 13 22.740 0.004 . 1 . . . . 99 K CG . 16114 1 964 . 1 1 99 99 LYS N N 15 119.464 0.000 . 1 . . . . 99 K N . 16114 1 965 . 1 1 100 100 ALA H H 1 8.167 0.000 . 1 . . . . 100 A H . 16114 1 966 . 1 1 100 100 ALA HA H 1 3.789 0.000 . 1 . . . . 100 A HA . 16114 1 967 . 1 1 100 100 ALA HB1 H 1 1.326 0.000 . . . . . . 100 A QB . 16114 1 968 . 1 1 100 100 ALA HB2 H 1 1.326 0.000 . . . . . . 100 A QB . 16114 1 969 . 1 1 100 100 ALA HB3 H 1 1.326 0.000 . . . . . . 100 A QB . 16114 1 970 . 1 1 100 100 ALA CA C 13 52.451 0.000 . 1 . . . . 100 A CA . 16114 1 971 . 1 1 100 100 ALA CB C 13 16.259 0.000 . 1 . . . . 100 A CB . 16114 1 972 . 1 1 100 100 ALA N N 15 122.398 0.000 . 1 . . . . 100 A N . 16114 1 973 . 1 1 101 101 ILE H H 1 8.777 0.000 . 1 . . . . 101 I H . 16114 1 974 . 1 1 101 101 ILE HA H 1 3.191 0.000 . 1 . . . . 101 I HA . 16114 1 975 . 1 1 101 101 ILE HB H 1 2.000 0.000 . 1 . . . . 101 I HB . 16114 1 976 . 1 1 101 101 ILE HD11 H 1 0.658 0.000 . . . . . . 101 I QD1 . 16114 1 977 . 1 1 101 101 ILE HD12 H 1 0.658 0.000 . . . . . . 101 I QD1 . 16114 1 978 . 1 1 101 101 ILE HD13 H 1 0.658 0.000 . . . . . . 101 I QD1 . 16114 1 979 . 1 1 101 101 ILE HG12 H 1 0.661 0.000 . 2 . . . . 101 I HG12 . 16114 1 980 . 1 1 101 101 ILE HG13 H 1 0.714 0.000 . 2 . . . . 101 I HG13 . 16114 1 981 . 1 1 101 101 ILE HG21 H 1 0.740 0.000 . . . . . . 101 I QG2 . 16114 1 982 . 1 1 101 101 ILE HG22 H 1 0.740 0.000 . . . . . . 101 I QG2 . 16114 1 983 . 1 1 101 101 ILE HG23 H 1 0.740 0.000 . . . . . . 101 I QG2 . 16114 1 984 . 1 1 101 101 ILE CA C 13 62.910 0.000 . 1 . . . . 101 I CA . 16114 1 985 . 1 1 101 101 ILE CB C 13 34.544 0.000 . 1 . . . . 101 I CB . 16114 1 986 . 1 1 101 101 ILE CD1 C 13 10.552 0.000 . 1 . . . . 101 I CD1 . 16114 1 987 . 1 1 101 101 ILE CG1 C 13 27.346 0.001 . 1 . . . . 101 I CG1 . 16114 1 988 . 1 1 101 101 ILE CG2 C 13 13.790 0.000 . 1 . . . . 101 I CG2 . 16114 1 989 . 1 1 101 101 ILE N N 15 120.431 0.000 . 1 . . . . 101 I N . 16114 1 990 . 1 1 102 102 GLU H H 1 7.890 0.000 . 1 . . . . 102 E H . 16114 1 991 . 1 1 102 102 GLU HA H 1 3.848 0.000 . 1 . . . . 102 E HA . 16114 1 992 . 1 1 102 102 GLU HB2 H 1 2.050 0.000 . 2 . . . . 102 E HB2 . 16114 1 993 . 1 1 102 102 GLU HB3 H 1 2.100 0.000 . 2 . . . . 102 E HB3 . 16114 1 994 . 1 1 102 102 GLU HG2 H 1 2.334 0.000 . 2 . . . . 102 E HG2 . 16114 1 995 . 1 1 102 102 GLU HG3 H 1 2.100 0.000 . 2 . . . . 102 E HG3 . 16114 1 996 . 1 1 102 102 GLU CA C 13 57.079 0.000 . 1 . . . . 102 E CA . 16114 1 997 . 1 1 102 102 GLU CB C 13 26.769 0.002 . 1 . . . . 102 E CB . 16114 1 998 . 1 1 102 102 GLU CG C 13 33.424 0.002 . 1 . . . . 102 E CG . 16114 1 999 . 1 1 102 102 GLU N N 15 120.248 0.000 . 1 . . . . 102 E N . 16114 1 1000 . 1 1 103 103 LEU H H 1 8.194 0.000 . 1 . . . . 103 L H . 16114 1 1001 . 1 1 103 103 LEU HA H 1 3.912 0.000 . 1 . . . . 103 L HA . 16114 1 1002 . 1 1 103 103 LEU HB2 H 1 1.241 0.000 . 2 . . . . 103 L HB2 . 16114 1 1003 . 1 1 103 103 LEU HB3 H 1 1.385 0.000 . 2 . . . . 103 L HB3 . 16114 1 1004 . 1 1 103 103 LEU HD11 H 1 0.751 0.000 . . . . . . 103 L QD1 . 16114 1 1005 . 1 1 103 103 LEU HD12 H 1 0.751 0.000 . . . . . . 103 L QD1 . 16114 1 1006 . 1 1 103 103 LEU HD13 H 1 0.751 0.000 . . . . . . 103 L QD1 . 16114 1 1007 . 1 1 103 103 LEU HD21 H 1 0.789 0.000 . . . . . . 103 L QD2 . 16114 1 1008 . 1 1 103 103 LEU HD22 H 1 0.789 0.000 . . . . . . 103 L QD2 . 16114 1 1009 . 1 1 103 103 LEU HD23 H 1 0.789 0.000 . . . . . . 103 L QD2 . 16114 1 1010 . 1 1 103 103 LEU HG H 1 1.524 0.000 . 1 . . . . 103 L HG . 16114 1 1011 . 1 1 103 103 LEU CA C 13 55.078 0.000 . 1 . . . . 103 L CA . 16114 1 1012 . 1 1 103 103 LEU CB C 13 38.963 0.000 . 1 . . . . 103 L CB . 16114 1 1013 . 1 1 103 103 LEU CD1 C 13 21.213 0.000 . 2 . . . . 103 L CD1 . 16114 1 1014 . 1 1 103 103 LEU CD2 C 13 22.046 0.000 . 2 . . . . 103 L CD2 . 16114 1 1015 . 1 1 103 103 LEU CG C 13 23.976 0.000 . 1 . . . . 103 L CG . 16114 1 1016 . 1 1 103 103 LEU N N 15 120.341 0.000 . 1 . . . . 103 L N . 16114 1 1017 . 1 1 104 104 SER H H 1 8.268 0.000 . 1 . . . . 104 S H . 16114 1 1018 . 1 1 104 104 SER HA H 1 4.120 0.000 . 1 . . . . 104 S HA . 16114 1 1019 . 1 1 104 104 SER HB2 H 1 3.754 0.000 . 2 . . . . 104 S HB2 . 16114 1 1020 . 1 1 104 104 SER HB3 H 1 3.735 0.000 . 2 . . . . 104 S HB3 . 16114 1 1021 . 1 1 104 104 SER CA C 13 58.301 0.000 . 1 . . . . 104 S CA . 16114 1 1022 . 1 1 104 104 SER CB C 13 60.193 0.005 . 1 . . . . 104 S CB . 16114 1 1023 . 1 1 104 104 SER N N 15 115.150 0.000 . 1 . . . . 104 S N . 16114 1 1024 . 1 1 105 105 LEU H H 1 7.501 0.000 . 1 . . . . 105 L H . 16114 1 1025 . 1 1 105 105 LEU HA H 1 4.041 0.000 . 1 . . . . 105 L HA . 16114 1 1026 . 1 1 105 105 LEU HB2 H 1 1.700 0.000 . 2 . . . . 105 L HB2 . 16114 1 1027 . 1 1 105 105 LEU HB3 H 1 1.466 0.000 . 2 . . . . 105 L HB3 . 16114 1 1028 . 1 1 105 105 LEU HD11 H 1 0.767 0.000 . . . . . . 105 L QD1 . 16114 1 1029 . 1 1 105 105 LEU HD12 H 1 0.767 0.000 . . . . . . 105 L QD1 . 16114 1 1030 . 1 1 105 105 LEU HD13 H 1 0.767 0.000 . . . . . . 105 L QD1 . 16114 1 1031 . 1 1 105 105 LEU HD21 H 1 0.629 0.000 . . . . . . 105 L QD2 . 16114 1 1032 . 1 1 105 105 LEU HD22 H 1 0.629 0.000 . . . . . . 105 L QD2 . 16114 1 1033 . 1 1 105 105 LEU HD23 H 1 0.629 0.000 . . . . . . 105 L QD2 . 16114 1 1034 . 1 1 105 105 LEU HG H 1 1.437 0.000 . 1 . . . . 105 L HG . 16114 1 1035 . 1 1 105 105 LEU CA C 13 53.995 0.000 . 1 . . . . 105 L CA . 16114 1 1036 . 1 1 105 105 LEU CB C 13 39.597 0.001 . 1 . . . . 105 L CB . 16114 1 1037 . 1 1 105 105 LEU CD1 C 13 22.473 0.000 . 2 . . . . 105 L CD1 . 16114 1 1038 . 1 1 105 105 LEU CD2 C 13 20.016 0.000 . 2 . . . . 105 L CD2 . 16114 1 1039 . 1 1 105 105 LEU CG C 13 24.159 0.000 . 1 . . . . 105 L CG . 16114 1 1040 . 1 1 105 105 LEU N N 15 124.223 0.000 . 1 . . . . 105 L N . 16114 1 1041 . 1 1 106 106 LYS H H 1 7.542 0.000 . 1 . . . . 106 K H . 16114 1 1042 . 1 1 106 106 LYS HA H 1 4.090 0.000 . 1 . . . . 106 K HA . 16114 1 1043 . 1 1 106 106 LYS HB2 H 1 1.907 0.000 . 2 . . . . 106 K HB2 . 16114 1 1044 . 1 1 106 106 LYS HB3 H 1 1.865 0.000 . 2 . . . . 106 K HB3 . 16114 1 1045 . 1 1 106 106 LYS HD2 H 1 1.616 0.000 . 2 . . . . 106 K HD2 . 16114 1 1046 . 1 1 106 106 LYS HD3 H 1 1.615 0.000 . 2 . . . . 106 K HD3 . 16114 1 1047 . 1 1 106 106 LYS HE2 H 1 2.899 0.000 . 2 . . . . 106 K HE2 . 16114 1 1048 . 1 1 106 106 LYS HG2 H 1 1.522 0.000 . 2 . . . . 106 K HG2 . 16114 1 1049 . 1 1 106 106 LYS HG3 H 1 1.392 0.000 . 2 . . . . 106 K HG3 . 16114 1 1050 . 1 1 106 106 LYS CA C 13 55.495 0.000 . 1 . . . . 106 K CA . 16114 1 1051 . 1 1 106 106 LYS CB C 13 29.941 0.004 . 1 . . . . 106 K CB . 16114 1 1052 . 1 1 106 106 LYS CD C 13 26.491 0.002 . 1 . . . . 106 K CD . 16114 1 1053 . 1 1 106 106 LYS CE C 13 39.450 0.000 . 1 . . . . 106 K CE . 16114 1 1054 . 1 1 106 106 LYS CG C 13 22.410 0.002 . 1 . . . . 106 K CG . 16114 1 1055 . 1 1 106 106 LYS N N 15 120.328 0.000 . 1 . . . . 106 K N . 16114 1 1056 . 1 1 107 107 GLU H H 1 7.884 0.000 . 1 . . . . 107 E H . 16114 1 1057 . 1 1 107 107 GLU HA H 1 4.210 0.000 . 1 . . . . 107 E HA . 16114 1 1058 . 1 1 107 107 GLU HB2 H 1 2.121 0.000 . 2 . . . . 107 E HB2 . 16114 1 1059 . 1 1 107 107 GLU HB3 H 1 2.042 0.000 . 2 . . . . 107 E HB3 . 16114 1 1060 . 1 1 107 107 GLU CA C 13 54.509 0.000 . 1 . . . . 107 E CA . 16114 1 1061 . 1 1 107 107 GLU CB C 13 27.239 0.002 . 1 . . . . 107 E CB . 16114 1 1062 . 1 1 107 107 GLU N N 15 118.621 0.000 . 1 . . . . 107 E N . 16114 1 1063 . 1 1 108 108 SER H H 1 7.923 0.000 . 1 . . . . 108 S H . 16114 1 1064 . 1 1 108 108 SER HA H 1 4.385 0.000 . 1 . . . . 108 S HA . 16114 1 1065 . 1 1 108 108 SER HB2 H 1 3.787 0.000 . 2 . . . . 108 S HB2 . 16114 1 1066 . 1 1 108 108 SER HB3 H 1 3.716 0.000 . 2 . . . . 108 S HB3 . 16114 1 1067 . 1 1 108 108 SER CA C 13 56.442 0.000 . 1 . . . . 108 S CA . 16114 1 1068 . 1 1 108 108 SER CB C 13 60.953 0.004 . 1 . . . . 108 S CB . 16114 1 1069 . 1 1 108 108 SER N N 15 115.670 0.000 . 1 . . . . 108 S N . 16114 1 1070 . 1 1 109 109 ARG H H 1 8.068 0.000 . 1 . . . . 109 R H . 16114 1 1071 . 1 1 109 109 ARG HA H 1 4.307 0.000 . 1 . . . . 109 R HA . 16114 1 1072 . 1 1 109 109 ARG HB2 H 1 1.859 0.000 . 2 . . . . 109 R HB2 . 16114 1 1073 . 1 1 109 109 ARG HB3 H 1 1.761 0.000 . 2 . . . . 109 R HB3 . 16114 1 1074 . 1 1 109 109 ARG HD2 H 1 3.112 0.000 . 2 . . . . 109 R HD2 . 16114 1 1075 . 1 1 109 109 ARG HD3 H 1 2.975 0.000 . 2 . . . . 109 R HD3 . 16114 1 1076 . 1 1 109 109 ARG HG2 H 1 1.581 0.000 . 2 . . . . 109 R HG2 . 16114 1 1077 . 1 1 109 109 ARG HG3 H 1 1.549 0.000 . 2 . . . . 109 R HG3 . 16114 1 1078 . 1 1 109 109 ARG CA C 13 53.732 0.000 . 1 . . . . 109 R CA . 16114 1 1079 . 1 1 109 109 ARG CB C 13 27.968 0.000 . 1 . . . . 109 R CB . 16114 1 1080 . 1 1 109 109 ARG CD C 13 40.636 0.001 . 1 . . . . 109 R CD . 16114 1 1081 . 1 1 109 109 ARG CG C 13 24.405 0.000 . 1 . . . . 109 R CG . 16114 1 1082 . 1 1 109 109 ARG N N 15 122.313 0.000 . 1 . . . . 109 R N . 16114 1 1083 . 1 1 110 110 ASN H H 1 8.292 0.000 . 1 . . . . 110 N H . 16114 1 1084 . 1 1 110 110 ASN HA H 1 4.720 0.000 . 1 . . . . 110 N HA . 16114 1 1085 . 1 1 110 110 ASN HB2 H 1 2.836 0.000 . 2 . . . . 110 N HB2 . 16114 1 1086 . 1 1 110 110 ASN HB3 H 1 2.742 0.000 . 2 . . . . 110 N HB3 . 16114 1 1087 . 1 1 110 110 ASN CA C 13 50.750 0.000 . 1 . . . . 110 N CA . 16114 1 1088 . 1 1 110 110 ASN CB C 13 36.197 0.001 . 1 . . . . 110 N CB . 16114 1 1089 . 1 1 110 110 ASN N N 15 119.304 0.000 . 1 . . . . 110 N N . 16114 1 1090 . 1 1 111 111 SER H H 1 8.244 0.000 . 1 . . . . 111 S H . 16114 1 1091 . 1 1 111 111 SER HA H 1 4.423 0.000 . 1 . . . . 111 S HA . 16114 1 1092 . 1 1 111 111 SER HB2 H 1 3.844 0.000 . 2 . . . . 111 S HB2 . 16114 1 1093 . 1 1 111 111 SER HB3 H 1 3.910 0.000 . 2 . . . . 111 S HB3 . 16114 1 1094 . 1 1 111 111 SER CA C 13 55.990 0.000 . 1 . . . . 111 S CA . 16114 1 1095 . 1 1 111 111 SER CB C 13 61.027 0.000 . 1 . . . . 111 S CB . 16114 1 1096 . 1 1 111 111 SER N N 15 116.119 0.000 . 1 . . . . 111 S N . 16114 1 1097 . 1 1 112 112 GLY H H 1 8.327 0.000 . 1 . . . . 112 G H . 16114 1 1098 . 1 1 112 112 GLY HA2 H 1 3.944 0.000 . 2 . . . . 112 G HA2 . 16114 1 1099 . 1 1 112 112 GLY HA3 H 1 3.912 0.000 . 2 . . . . 112 G HA3 . 16114 1 1100 . 1 1 112 112 GLY CA C 13 42.733 0.004 . 1 . . . . 112 G CA . 16114 1 1101 . 1 1 112 112 GLY N N 15 110.442 0.000 . 1 . . . . 112 G N . 16114 1 1102 . 1 1 113 113 GLY H H 1 8.097 0.000 . 1 . . . . 113 G H . 16114 1 1103 . 1 1 113 113 GLY HA2 H 1 3.831 0.000 . 2 . . . . 113 G HA2 . 16114 1 1104 . 1 1 113 113 GLY HA3 H 1 3.785 0.000 . 2 . . . . 113 G HA3 . 16114 1 1105 . 1 1 113 113 GLY CA C 13 42.435 0.000 . 1 . . . . 113 G CA . 16114 1 1106 . 1 1 113 113 GLY N N 15 108.745 0.000 . 1 . . . . 113 G N . 16114 1 1107 . 1 1 114 114 TYR H H 1 7.529 0.000 . 1 . . . . 114 Y H . 16114 1 1108 . 1 1 114 114 TYR HA H 1 4.345 0.000 . 1 . . . . 114 Y HA . 16114 1 1109 . 1 1 114 114 TYR HB2 H 1 3.020 0.000 . 2 . . . . 114 Y HB2 . 16114 1 1110 . 1 1 114 114 TYR HB3 H 1 2.815 0.000 . 2 . . . . 114 Y HB3 . 16114 1 1111 . 1 1 114 114 TYR CA C 13 56.450 0.000 . 1 . . . . 114 Y CA . 16114 1 1112 . 1 1 114 114 TYR CB C 13 36.930 0.000 . 1 . . . . 114 Y CB . 16114 1 1113 . 1 1 114 114 TYR N N 15 124.580 0.000 . 1 . . . . 114 Y N . 16114 1 stop_ save_