data_16478 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16478 _Entry.Title ; Solution structure of UBA domain of XIAP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-04 _Entry.Accession_date 2009-09-04 _Entry.Last_release_date 2010-05-05 _Entry.Original_release_date 2010-05-05 _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 Sin-Kam Hui . . . 16478 2 Man-Kit Tse . . . 16478 3 Kong-Hung Sze . . . 16478 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16478 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID UBA . 16478 XIAP . 16478 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16478 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 16478 '15N chemical shifts' 109 16478 '1H chemical shifts' 752 16478 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-05 2009-09-04 original author . 16478 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KNA 'BMRB Entry Tracking System' 16478 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16478 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19916060 _Citation.Full_citation . _Citation.Title 'Backbone and side-chain 1H, 13C and 15N assignments of the ubiquitin-associated domain of human X-linked inhibitor of apoptosis protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 13 _Citation.Page_last 15 _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 Sin-Kam Hui . . . 16478 1 2 Man-Kit Tse . . . 16478 1 3 Yinhua Yang . . . 16478 1 4 'Benjamin Chun-Yu' Wong . . . 16478 1 5 Kong-Hung Sze . . . 16478 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16478 _Assembly.ID 1 _Assembly.Name UBA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 UBA 1 $UBA A . yes native no no . . . 16478 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBA _Entity.Sf_category entity _Entity.Sf_framecode UBA _Entity.Entry_ID 16478 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBA _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 ; GSAMADIGSEFEKTPSLTRR IDDTIFQNPMVQEAIRMGFS FKDIKKIMEEKIQISGSNYK SLEVLVADLVNAQKDSMQDE SSQTSLQKEISTEEQLRRLQ EEKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11873.473 _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 2KNA . "Solution Structure Of Uba Domain Of Xiap" . . . . . 100.00 104 100.00 100.00 1.76e-66 . . . . 16478 1 2 no DBJ BAG36609 . "unnamed protein product [Homo sapiens]" . . . . . 89.42 497 98.92 98.92 4.73e-52 . . . . 16478 1 3 no DBJ BAI46620 . "X-linked inhibitor of apoptosis [synthetic construct]" . . . . . 89.42 497 100.00 100.00 6.99e-53 . . . . 16478 1 4 no GB AAC50373 . "X-linked inhibitor of apotosis protein [Homo sapiens]" . . . . . 89.42 497 100.00 100.00 4.65e-53 . . . . 16478 1 5 no GB AAC50518 . "IAP-like protein ILP [Homo sapiens]" . . . . . 89.42 497 98.92 98.92 4.93e-52 . . . . 16478 1 6 no GB AAH32729 . "X-linked inhibitor of apoptosis [Homo sapiens]" . . . . . 89.42 497 100.00 100.00 6.99e-53 . . . . 16478 1 7 no GB AAW62257 . "baculoviral IAP repeat-containing 4 [Homo sapiens]" . . . . . 89.42 497 100.00 100.00 6.99e-53 . . . . 16478 1 8 no GB AAX29953 . "baculoviral IAP repeat-containing 4 [synthetic construct]" . . . . . 89.42 498 100.00 100.00 6.89e-53 . . . . 16478 1 9 no REF NP_001158 . "E3 ubiquitin-protein ligase XIAP [Homo sapiens]" . . . . . 89.42 497 100.00 100.00 6.99e-53 . . . . 16478 1 10 no REF NP_001191330 . "E3 ubiquitin-protein ligase XIAP [Homo sapiens]" . . . . . 89.42 497 100.00 100.00 6.99e-53 . . . . 16478 1 11 no REF XP_001086574 . "PREDICTED: baculoviral IAP repeat-containing protein 4-like [Macaca mulatta]" . . . . . 89.42 194 98.92 98.92 2.78e-56 . . . . 16478 1 12 no REF XP_003262340 . "PREDICTED: E3 ubiquitin-protein ligase XIAP [Nomascus leucogenys]" . . . . . 89.42 497 98.92 98.92 1.79e-52 . . . . 16478 1 13 no REF XP_003779771 . "PREDICTED: E3 ubiquitin-protein ligase XIAP isoform X1 [Pongo abelii]" . . . . . 89.42 513 97.85 98.92 2.49e-51 . . . . 16478 1 14 no SP P98170 . "RecName: Full=E3 ubiquitin-protein ligase XIAP; AltName: Full=Baculoviral IAP repeat-containing protein 4; AltName: Full=IAP-li" . . . . . 89.42 497 100.00 100.00 6.99e-53 . . . . 16478 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16478 1 2 . SER . 16478 1 3 . ALA . 16478 1 4 . MET . 16478 1 5 . ALA . 16478 1 6 . ASP . 16478 1 7 . ILE . 16478 1 8 . GLY . 16478 1 9 . SER . 16478 1 10 . GLU . 16478 1 11 . PHE . 16478 1 12 . GLU . 16478 1 13 . LYS . 16478 1 14 . THR . 16478 1 15 . PRO . 16478 1 16 . SER . 16478 1 17 . LEU . 16478 1 18 . THR . 16478 1 19 . ARG . 16478 1 20 . ARG . 16478 1 21 . ILE . 16478 1 22 . ASP . 16478 1 23 . ASP . 16478 1 24 . THR . 16478 1 25 . ILE . 16478 1 26 . PHE . 16478 1 27 . GLN . 16478 1 28 . ASN . 16478 1 29 . PRO . 16478 1 30 . MET . 16478 1 31 . VAL . 16478 1 32 . GLN . 16478 1 33 . GLU . 16478 1 34 . ALA . 16478 1 35 . ILE . 16478 1 36 . ARG . 16478 1 37 . MET . 16478 1 38 . GLY . 16478 1 39 . PHE . 16478 1 40 . SER . 16478 1 41 . PHE . 16478 1 42 . LYS . 16478 1 43 . ASP . 16478 1 44 . ILE . 16478 1 45 . LYS . 16478 1 46 . LYS . 16478 1 47 . ILE . 16478 1 48 . MET . 16478 1 49 . GLU . 16478 1 50 . GLU . 16478 1 51 . LYS . 16478 1 52 . ILE . 16478 1 53 . GLN . 16478 1 54 . ILE . 16478 1 55 . SER . 16478 1 56 . GLY . 16478 1 57 . SER . 16478 1 58 . ASN . 16478 1 59 . TYR . 16478 1 60 . LYS . 16478 1 61 . SER . 16478 1 62 . LEU . 16478 1 63 . GLU . 16478 1 64 . VAL . 16478 1 65 . LEU . 16478 1 66 . VAL . 16478 1 67 . ALA . 16478 1 68 . ASP . 16478 1 69 . LEU . 16478 1 70 . VAL . 16478 1 71 . ASN . 16478 1 72 . ALA . 16478 1 73 . GLN . 16478 1 74 . LYS . 16478 1 75 . ASP . 16478 1 76 . SER . 16478 1 77 . MET . 16478 1 78 . GLN . 16478 1 79 . ASP . 16478 1 80 . GLU . 16478 1 81 . SER . 16478 1 82 . SER . 16478 1 83 . GLN . 16478 1 84 . THR . 16478 1 85 . SER . 16478 1 86 . LEU . 16478 1 87 . GLN . 16478 1 88 . LYS . 16478 1 89 . GLU . 16478 1 90 . ILE . 16478 1 91 . SER . 16478 1 92 . THR . 16478 1 93 . GLU . 16478 1 94 . GLU . 16478 1 95 . GLN . 16478 1 96 . LEU . 16478 1 97 . ARG . 16478 1 98 . ARG . 16478 1 99 . LEU . 16478 1 100 . GLN . 16478 1 101 . GLU . 16478 1 102 . GLU . 16478 1 103 . LYS . 16478 1 104 . LEU . 16478 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16478 1 . SER 2 2 16478 1 . ALA 3 3 16478 1 . MET 4 4 16478 1 . ALA 5 5 16478 1 . ASP 6 6 16478 1 . ILE 7 7 16478 1 . GLY 8 8 16478 1 . SER 9 9 16478 1 . GLU 10 10 16478 1 . PHE 11 11 16478 1 . GLU 12 12 16478 1 . LYS 13 13 16478 1 . THR 14 14 16478 1 . PRO 15 15 16478 1 . SER 16 16 16478 1 . LEU 17 17 16478 1 . THR 18 18 16478 1 . ARG 19 19 16478 1 . ARG 20 20 16478 1 . ILE 21 21 16478 1 . ASP 22 22 16478 1 . ASP 23 23 16478 1 . THR 24 24 16478 1 . ILE 25 25 16478 1 . PHE 26 26 16478 1 . GLN 27 27 16478 1 . ASN 28 28 16478 1 . PRO 29 29 16478 1 . MET 30 30 16478 1 . VAL 31 31 16478 1 . GLN 32 32 16478 1 . GLU 33 33 16478 1 . ALA 34 34 16478 1 . ILE 35 35 16478 1 . ARG 36 36 16478 1 . MET 37 37 16478 1 . GLY 38 38 16478 1 . PHE 39 39 16478 1 . SER 40 40 16478 1 . PHE 41 41 16478 1 . LYS 42 42 16478 1 . ASP 43 43 16478 1 . ILE 44 44 16478 1 . LYS 45 45 16478 1 . LYS 46 46 16478 1 . ILE 47 47 16478 1 . MET 48 48 16478 1 . GLU 49 49 16478 1 . GLU 50 50 16478 1 . LYS 51 51 16478 1 . ILE 52 52 16478 1 . GLN 53 53 16478 1 . ILE 54 54 16478 1 . SER 55 55 16478 1 . GLY 56 56 16478 1 . SER 57 57 16478 1 . ASN 58 58 16478 1 . TYR 59 59 16478 1 . LYS 60 60 16478 1 . SER 61 61 16478 1 . LEU 62 62 16478 1 . GLU 63 63 16478 1 . VAL 64 64 16478 1 . LEU 65 65 16478 1 . VAL 66 66 16478 1 . ALA 67 67 16478 1 . ASP 68 68 16478 1 . LEU 69 69 16478 1 . VAL 70 70 16478 1 . ASN 71 71 16478 1 . ALA 72 72 16478 1 . GLN 73 73 16478 1 . LYS 74 74 16478 1 . ASP 75 75 16478 1 . SER 76 76 16478 1 . MET 77 77 16478 1 . GLN 78 78 16478 1 . ASP 79 79 16478 1 . GLU 80 80 16478 1 . SER 81 81 16478 1 . SER 82 82 16478 1 . GLN 83 83 16478 1 . THR 84 84 16478 1 . SER 85 85 16478 1 . LEU 86 86 16478 1 . GLN 87 87 16478 1 . LYS 88 88 16478 1 . GLU 89 89 16478 1 . ILE 90 90 16478 1 . SER 91 91 16478 1 . THR 92 92 16478 1 . GLU 93 93 16478 1 . GLU 94 94 16478 1 . GLN 95 95 16478 1 . LEU 96 96 16478 1 . ARG 97 97 16478 1 . ARG 98 98 16478 1 . LEU 99 99 16478 1 . GLN 100 100 16478 1 . GLU 101 101 16478 1 . GLU 102 102 16478 1 . LYS 103 103 16478 1 . LEU 104 104 16478 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 16478 _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 $UBA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16478 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 16478 _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 $UBA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-32a . . . . . . 16478 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16478 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16478 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16478 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16478 1 4 PMSF 'natural abundance' . . . . . . 1 . . mM . . . . 16478 1 5 UBA '[U-99% 13C; U-99% 15N]' . . 1 $UBA . . 0.5 . . mM . . . . 16478 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16478 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16478 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16478 _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' 100 . mM 16478 1 pH 6.7 . pH 16478 1 pressure 1 . atm 16478 1 temperature 298 . K 16478 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16478 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16478 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16478 1 'data analysis' 16478 1 'peak picking' 16478 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16478 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16478 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16478 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16478 _Software.ID 3 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16478 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16478 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16478 _NMR_spectrometer.ID 1 _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 16478 _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 . 600 . . . 16478 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 16478 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16478 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16478 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16478 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16478 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16478 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16478 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16478 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16478 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16478 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 16478 _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 na indirect 0.251449530 . . . . . . . . . 16478 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16478 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 16478 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 16478 _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' . . . 16478 1 2 '2D 1H-13C HSQC' . . . 16478 1 3 '3D CBCA(CO)NH' . . . 16478 1 4 '3D HNCACB' . . . 16478 1 5 '3D HNCO' . . . 16478 1 6 '3D HCCH-TOCSY' . . . 16478 1 7 '3D HCCH-COSY' . . . 16478 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 1 1 GLY HA2 H 1 3.872 0.001 . 2 . . . . 1 G HA2 . 16478 1 2 . 1 1 1 1 GLY HA3 H 1 3.872 0.001 . 2 . . . . 1 G HA3 . 16478 1 3 . 1 1 1 1 GLY CA C 13 43.237 0.052 . 1 . . . . 1 G CA . 16478 1 4 . 1 1 2 2 SER HA H 1 4.481 0.030 . 1 . . . . 2 S HA . 16478 1 5 . 1 1 2 2 SER HB2 H 1 3.861 0.030 . 2 . . . . 2 S QB . 16478 1 6 . 1 1 2 2 SER HB3 H 1 3.861 0.030 . 2 . . . . 2 S QB . 16478 1 7 . 1 1 2 2 SER C C 13 174.254 0.044 . 1 . . . . 2 S C . 16478 1 8 . 1 1 2 2 SER CA C 13 58.264 0.300 . 1 . . . . 2 S CA . 16478 1 9 . 1 1 2 2 SER CB C 13 64.047 0.300 . 1 . . . . 2 S CB . 16478 1 10 . 1 1 3 3 ALA H H 1 8.554 0.002 . 1 . . . . 3 A H . 16478 1 11 . 1 1 3 3 ALA HA H 1 4.334 0.001 . 1 . . . . 3 A HA . 16478 1 12 . 1 1 3 3 ALA HB1 H 1 1.388 0.030 . 1 . . . . 3 A QB . 16478 1 13 . 1 1 3 3 ALA HB2 H 1 1.388 0.030 . 1 . . . . 3 A QB . 16478 1 14 . 1 1 3 3 ALA HB3 H 1 1.388 0.030 . 1 . . . . 3 A QB . 16478 1 15 . 1 1 3 3 ALA C C 13 177.843 0.030 . 1 . . . . 3 A C . 16478 1 16 . 1 1 3 3 ALA CA C 13 52.687 0.008 . 1 . . . . 3 A CA . 16478 1 17 . 1 1 3 3 ALA CB C 13 19.166 0.001 . 1 . . . . 3 A CB . 16478 1 18 . 1 1 3 3 ALA N N 15 126.285 0.024 . 1 . . . . 3 A N . 16478 1 19 . 1 1 4 4 MET H H 1 8.345 0.002 . 1 . . . . 4 M H . 16478 1 20 . 1 1 4 4 MET HA H 1 4.404 0.004 . 1 . . . . 4 M HA . 16478 1 21 . 1 1 4 4 MET HB2 H 1 1.998 0.018 . 2 . . . . 4 M QB . 16478 1 22 . 1 1 4 4 MET HB3 H 1 1.998 0.018 . 2 . . . . 4 M QB . 16478 1 23 . 1 1 4 4 MET HE1 H 1 1.896 0.030 . 1 . . . . 4 M QE . 16478 1 24 . 1 1 4 4 MET HE2 H 1 1.896 0.030 . 1 . . . . 4 M QE . 16478 1 25 . 1 1 4 4 MET HE3 H 1 1.896 0.030 . 1 . . . . 4 M QE . 16478 1 26 . 1 1 4 4 MET HG2 H 1 2.564 0.030 . 2 . . . . 4 M QG . 16478 1 27 . 1 1 4 4 MET HG3 H 1 2.564 0.030 . 2 . . . . 4 M QG . 16478 1 28 . 1 1 4 4 MET C C 13 176.061 0.031 . 1 . . . . 4 M C . 16478 1 29 . 1 1 4 4 MET CA C 13 55.607 0.004 . 1 . . . . 4 M CA . 16478 1 30 . 1 1 4 4 MET CB C 13 32.915 0.002 . 1 . . . . 4 M CB . 16478 1 31 . 1 1 4 4 MET CE C 13 17.451 0.300 . 1 . . . . 4 M CE . 16478 1 32 . 1 1 4 4 MET CG C 13 32.061 0.001 . 1 . . . . 4 M CG . 16478 1 33 . 1 1 4 4 MET N N 15 119.525 0.008 . 1 . . . . 4 M N . 16478 1 34 . 1 1 5 5 ALA H H 1 8.232 0.001 . 1 . . . . 5 A H . 16478 1 35 . 1 1 5 5 ALA HA H 1 4.269 0.001 . 1 . . . . 5 A HA . 16478 1 36 . 1 1 5 5 ALA HB1 H 1 1.355 0.002 . 1 . . . . 5 A QB . 16478 1 37 . 1 1 5 5 ALA HB2 H 1 1.355 0.002 . 1 . . . . 5 A QB . 16478 1 38 . 1 1 5 5 ALA HB3 H 1 1.355 0.002 . 1 . . . . 5 A QB . 16478 1 39 . 1 1 5 5 ALA C C 13 177.348 0.013 . 1 . . . . 5 A C . 16478 1 40 . 1 1 5 5 ALA CA C 13 52.575 0.001 . 1 . . . . 5 A CA . 16478 1 41 . 1 1 5 5 ALA CB C 13 19.376 0.001 . 1 . . . . 5 A CB . 16478 1 42 . 1 1 5 5 ALA N N 15 124.660 0.028 . 1 . . . . 5 A N . 16478 1 43 . 1 1 6 6 ASP H H 1 8.277 0.002 . 1 . . . . 6 D H . 16478 1 44 . 1 1 6 6 ASP HA H 1 4.578 0.001 . 1 . . . . 6 D HA . 16478 1 45 . 1 1 6 6 ASP HB2 H 1 2.578 0.030 . 2 . . . . 6 D HB2 . 16478 1 46 . 1 1 6 6 ASP HB3 H 1 2.674 0.030 . 2 . . . . 6 D HB3 . 16478 1 47 . 1 1 6 6 ASP C C 13 176.427 0.044 . 1 . . . . 6 D C . 16478 1 48 . 1 1 6 6 ASP CA C 13 54.282 0.016 . 1 . . . . 6 D CA . 16478 1 49 . 1 1 6 6 ASP CB C 13 41.124 0.059 . 1 . . . . 6 D CB . 16478 1 50 . 1 1 6 6 ASP N N 15 119.734 0.025 . 1 . . . . 6 D N . 16478 1 51 . 1 1 7 7 ILE H H 1 8.061 0.001 . 1 . . . . 7 I H . 16478 1 52 . 1 1 7 7 ILE HA H 1 4.168 0.003 . 1 . . . . 7 I HA . 16478 1 53 . 1 1 7 7 ILE HB H 1 1.887 0.005 . 1 . . . . 7 I HB . 16478 1 54 . 1 1 7 7 ILE HD11 H 1 0.840 0.007 . 1 . . . . 7 I QD1 . 16478 1 55 . 1 1 7 7 ILE HD12 H 1 0.840 0.007 . 1 . . . . 7 I QD1 . 16478 1 56 . 1 1 7 7 ILE HD13 H 1 0.840 0.007 . 1 . . . . 7 I QD1 . 16478 1 57 . 1 1 7 7 ILE HG12 H 1 1.471 0.003 . 2 . . . . 7 I HG12 . 16478 1 58 . 1 1 7 7 ILE HG13 H 1 1.200 0.003 . 2 . . . . 7 I HG13 . 16478 1 59 . 1 1 7 7 ILE HG21 H 1 0.914 0.004 . 1 . . . . 7 I QG2 . 16478 1 60 . 1 1 7 7 ILE HG22 H 1 0.914 0.004 . 1 . . . . 7 I QG2 . 16478 1 61 . 1 1 7 7 ILE HG23 H 1 0.914 0.004 . 1 . . . . 7 I QG2 . 16478 1 62 . 1 1 7 7 ILE C C 13 176.972 0.020 . 1 . . . . 7 I C . 16478 1 63 . 1 1 7 7 ILE CA C 13 61.663 0.044 . 1 . . . . 7 I CA . 16478 1 64 . 1 1 7 7 ILE CB C 13 38.751 0.044 . 1 . . . . 7 I CB . 16478 1 65 . 1 1 7 7 ILE CD1 C 13 13.133 0.021 . 1 . . . . 7 I CD1 . 16478 1 66 . 1 1 7 7 ILE CG1 C 13 27.332 0.060 . 1 . . . . 7 I CG1 . 16478 1 67 . 1 1 7 7 ILE CG2 C 13 17.564 0.030 . 1 . . . . 7 I CG2 . 16478 1 68 . 1 1 7 7 ILE N N 15 120.697 0.023 . 1 . . . . 7 I N . 16478 1 69 . 1 1 8 8 GLY H H 1 8.544 0.002 . 1 . . . . 8 G H . 16478 1 70 . 1 1 8 8 GLY HA2 H 1 3.961 0.030 . 2 . . . . 8 G HA2 . 16478 1 71 . 1 1 8 8 GLY HA3 H 1 4.024 0.030 . 2 . . . . 8 G HA3 . 16478 1 72 . 1 1 8 8 GLY C C 13 174.515 0.032 . 1 . . . . 8 G C . 16478 1 73 . 1 1 8 8 GLY CA C 13 45.317 0.010 . 1 . . . . 8 G CA . 16478 1 74 . 1 1 8 8 GLY N N 15 112.517 0.008 . 1 . . . . 8 G N . 16478 1 75 . 1 1 9 9 SER H H 1 8.196 0.003 . 1 . . . . 9 S H . 16478 1 76 . 1 1 9 9 SER HA H 1 4.437 0.030 . 1 . . . . 9 S HA . 16478 1 77 . 1 1 9 9 SER HB2 H 1 3.872 0.030 . 2 . . . . 9 S QB . 16478 1 78 . 1 1 9 9 SER HB3 H 1 3.872 0.030 . 2 . . . . 9 S QB . 16478 1 79 . 1 1 9 9 SER C C 13 175.003 0.035 . 1 . . . . 9 S C . 16478 1 80 . 1 1 9 9 SER CA C 13 58.676 0.300 . 1 . . . . 9 S CA . 16478 1 81 . 1 1 9 9 SER CB C 13 63.925 0.300 . 1 . . . . 9 S CB . 16478 1 82 . 1 1 9 9 SER N N 15 115.781 0.041 . 1 . . . . 9 S N . 16478 1 83 . 1 1 10 10 GLU H H 1 8.657 0.004 . 1 . . . . 10 E H . 16478 1 84 . 1 1 10 10 GLU HA H 1 4.171 0.003 . 1 . . . . 10 E HA . 16478 1 85 . 1 1 10 10 GLU HB2 H 1 1.820 0.001 . 2 . . . . 10 E HB2 . 16478 1 86 . 1 1 10 10 GLU HB3 H 1 1.868 0.003 . 2 . . . . 10 E HB3 . 16478 1 87 . 1 1 10 10 GLU HG2 H 1 1.991 0.004 . 2 . . . . 10 E HG2 . 16478 1 88 . 1 1 10 10 GLU HG3 H 1 2.086 0.003 . 2 . . . . 10 E HG3 . 16478 1 89 . 1 1 10 10 GLU C C 13 176.495 0.045 . 1 . . . . 10 E C . 16478 1 90 . 1 1 10 10 GLU CA C 13 57.211 0.019 . 1 . . . . 10 E CA . 16478 1 91 . 1 1 10 10 GLU CB C 13 29.788 0.013 . 1 . . . . 10 E CB . 16478 1 92 . 1 1 10 10 GLU CG C 13 36.104 0.027 . 1 . . . . 10 E CG . 16478 1 93 . 1 1 10 10 GLU N N 15 122.597 0.036 . 1 . . . . 10 E N . 16478 1 94 . 1 1 11 11 PHE H H 1 8.052 0.001 . 1 . . . . 11 F H . 16478 1 95 . 1 1 11 11 PHE HA H 1 4.578 0.003 . 1 . . . . 11 F HA . 16478 1 96 . 1 1 11 11 PHE HB2 H 1 2.968 0.001 . 2 . . . . 11 F HB2 . 16478 1 97 . 1 1 11 11 PHE HB3 H 1 3.180 0.001 . 2 . . . . 11 F HB3 . 16478 1 98 . 1 1 11 11 PHE HD1 H 1 7.236 0.002 . 3 . . . . 11 F HD1 . 16478 1 99 . 1 1 11 11 PHE HD2 H 1 7.237 0.030 . 3 . . . . 11 F HD2 . 16478 1 100 . 1 1 11 11 PHE HE1 H 1 7.338 0.030 . 3 . . . . 11 F HE1 . 16478 1 101 . 1 1 11 11 PHE HE2 H 1 7.338 0.030 . 3 . . . . 11 F HE2 . 16478 1 102 . 1 1 11 11 PHE HZ H 1 7.312 0.030 . 1 . . . . 11 F HZ . 16478 1 103 . 1 1 11 11 PHE C C 13 175.861 0.021 . 1 . . . . 11 F C . 16478 1 104 . 1 1 11 11 PHE CA C 13 57.943 0.021 . 1 . . . . 11 F CA . 16478 1 105 . 1 1 11 11 PHE CB C 13 39.479 0.050 . 1 . . . . 11 F CB . 16478 1 106 . 1 1 11 11 PHE N N 15 119.723 0.010 . 1 . . . . 11 F N . 16478 1 107 . 1 1 12 12 GLU H H 1 8.133 0.001 . 1 . . . . 12 E H . 16478 1 108 . 1 1 12 12 GLU HA H 1 4.217 0.006 . 1 . . . . 12 E HA . 16478 1 109 . 1 1 12 12 GLU HB2 H 1 1.978 0.004 . 2 . . . . 12 E QB . 16478 1 110 . 1 1 12 12 GLU HB3 H 1 1.978 0.004 . 2 . . . . 12 E QB . 16478 1 111 . 1 1 12 12 GLU HG2 H 1 2.200 0.004 . 2 . . . . 12 E QG . 16478 1 112 . 1 1 12 12 GLU HG3 H 1 2.200 0.004 . 2 . . . . 12 E QG . 16478 1 113 . 1 1 12 12 GLU C C 13 176.215 0.039 . 1 . . . . 12 E C . 16478 1 114 . 1 1 12 12 GLU CA C 13 56.636 0.004 . 1 . . . . 12 E CA . 16478 1 115 . 1 1 12 12 GLU CB C 13 30.277 0.039 . 1 . . . . 12 E CB . 16478 1 116 . 1 1 12 12 GLU CG C 13 36.446 0.067 . 1 . . . . 12 E CG . 16478 1 117 . 1 1 12 12 GLU N N 15 121.572 0.021 . 1 . . . . 12 E N . 16478 1 118 . 1 1 13 13 LYS H H 1 8.254 0.006 . 1 . . . . 13 K H . 16478 1 119 . 1 1 13 13 LYS HA H 1 4.328 0.001 . 1 . . . . 13 K HA . 16478 1 120 . 1 1 13 13 LYS HB2 H 1 1.754 0.002 . 2 . . . . 13 K HB2 . 16478 1 121 . 1 1 13 13 LYS HB3 H 1 1.843 0.030 . 2 . . . . 13 K HB3 . 16478 1 122 . 1 1 13 13 LYS HD2 H 1 1.670 0.001 . 2 . . . . 13 K QD . 16478 1 123 . 1 1 13 13 LYS HD3 H 1 1.670 0.001 . 2 . . . . 13 K QD . 16478 1 124 . 1 1 13 13 LYS HE2 H 1 2.977 0.002 . 2 . . . . 13 K QE . 16478 1 125 . 1 1 13 13 LYS HE3 H 1 2.977 0.002 . 2 . . . . 13 K QE . 16478 1 126 . 1 1 13 13 LYS HG2 H 1 1.431 0.002 . 2 . . . . 13 K QG . 16478 1 127 . 1 1 13 13 LYS HG3 H 1 1.431 0.002 . 2 . . . . 13 K QG . 16478 1 128 . 1 1 13 13 LYS C C 13 176.607 0.034 . 1 . . . . 13 K C . 16478 1 129 . 1 1 13 13 LYS CA C 13 56.422 0.300 . 1 . . . . 13 K CA . 16478 1 130 . 1 1 13 13 LYS CB C 13 33.063 0.029 . 1 . . . . 13 K CB . 16478 1 131 . 1 1 13 13 LYS CD C 13 28.867 0.001 . 1 . . . . 13 K CD . 16478 1 132 . 1 1 13 13 LYS CE C 13 42.062 0.013 . 1 . . . . 13 K CE . 16478 1 133 . 1 1 13 13 LYS CG C 13 24.763 0.001 . 1 . . . . 13 K CG . 16478 1 134 . 1 1 13 13 LYS N N 15 122.141 0.038 . 1 . . . . 13 K N . 16478 1 135 . 1 1 14 14 THR H H 1 8.144 0.002 . 1 . . . . 14 T H . 16478 1 136 . 1 1 14 14 THR HA H 1 4.567 0.001 . 1 . . . . 14 T HA . 16478 1 137 . 1 1 14 14 THR HB H 1 4.152 0.003 . 1 . . . . 14 T HB . 16478 1 138 . 1 1 14 14 THR HG21 H 1 1.225 0.004 . 1 . . . . 14 T QG2 . 16478 1 139 . 1 1 14 14 THR HG22 H 1 1.225 0.004 . 1 . . . . 14 T QG2 . 16478 1 140 . 1 1 14 14 THR HG23 H 1 1.225 0.004 . 1 . . . . 14 T QG2 . 16478 1 141 . 1 1 14 14 THR C C 13 172.901 0.300 . 1 . . . . 14 T C . 16478 1 142 . 1 1 14 14 THR CA C 13 59.866 0.063 . 1 . . . . 14 T CA . 16478 1 143 . 1 1 14 14 THR CB C 13 69.609 0.056 . 1 . . . . 14 T CB . 16478 1 144 . 1 1 14 14 THR CG2 C 13 21.534 0.027 . 1 . . . . 14 T CG2 . 16478 1 145 . 1 1 14 14 THR N N 15 117.273 0.012 . 1 . . . . 14 T N . 16478 1 146 . 1 1 15 15 PRO HA H 1 4.413 0.002 . 1 . . . . 15 P HA . 16478 1 147 . 1 1 15 15 PRO HB2 H 1 1.899 0.003 . 2 . . . . 15 P HB2 . 16478 1 148 . 1 1 15 15 PRO HB3 H 1 2.291 0.003 . 2 . . . . 15 P HB3 . 16478 1 149 . 1 1 15 15 PRO HD2 H 1 3.703 0.005 . 2 . . . . 15 P HD2 . 16478 1 150 . 1 1 15 15 PRO HD3 H 1 3.818 0.004 . 2 . . . . 15 P HD3 . 16478 1 151 . 1 1 15 15 PRO HG2 H 1 1.977 0.001 . 2 . . . . 15 P HG2 . 16478 1 152 . 1 1 15 15 PRO HG3 H 1 2.025 0.003 . 2 . . . . 15 P HG3 . 16478 1 153 . 1 1 15 15 PRO C C 13 177.084 0.019 . 1 . . . . 15 P C . 16478 1 154 . 1 1 15 15 PRO CA C 13 63.575 0.015 . 1 . . . . 15 P CA . 16478 1 155 . 1 1 15 15 PRO CB C 13 32.171 0.046 . 1 . . . . 15 P CB . 16478 1 156 . 1 1 15 15 PRO CD C 13 51.186 0.013 . 1 . . . . 15 P CD . 16478 1 157 . 1 1 15 15 PRO CG C 13 27.523 0.019 . 1 . . . . 15 P CG . 16478 1 158 . 1 1 16 16 SER H H 1 8.405 0.002 . 1 . . . . 16 S H . 16478 1 159 . 1 1 16 16 SER HA H 1 4.380 0.030 . 1 . . . . 16 S HA . 16478 1 160 . 1 1 16 16 SER HB2 H 1 3.862 0.030 . 2 . . . . 16 S QB . 16478 1 161 . 1 1 16 16 SER HB3 H 1 3.862 0.030 . 2 . . . . 16 S QB . 16478 1 162 . 1 1 16 16 SER C C 13 174.973 0.018 . 1 . . . . 16 S C . 16478 1 163 . 1 1 16 16 SER CA C 13 58.517 0.300 . 1 . . . . 16 S CA . 16478 1 164 . 1 1 16 16 SER CB C 13 63.693 0.300 . 1 . . . . 16 S CB . 16478 1 165 . 1 1 16 16 SER N N 15 116.009 0.003 . 1 . . . . 16 S N . 16478 1 166 . 1 1 17 17 LEU H H 1 8.352 0.002 . 1 . . . . 17 L H . 16478 1 167 . 1 1 17 17 LEU HA H 1 4.378 0.001 . 1 . . . . 17 L HA . 16478 1 168 . 1 1 17 17 LEU HB2 H 1 1.640 0.030 . 2 . . . . 17 L QB . 16478 1 169 . 1 1 17 17 LEU HB3 H 1 1.640 0.030 . 2 . . . . 17 L QB . 16478 1 170 . 1 1 17 17 LEU HD11 H 1 0.860 0.001 . 2 . . . . 17 L QD1 . 16478 1 171 . 1 1 17 17 LEU HD12 H 1 0.860 0.001 . 2 . . . . 17 L QD1 . 16478 1 172 . 1 1 17 17 LEU HD13 H 1 0.860 0.001 . 2 . . . . 17 L QD1 . 16478 1 173 . 1 1 17 17 LEU HD21 H 1 0.913 0.003 . 2 . . . . 17 L QD2 . 16478 1 174 . 1 1 17 17 LEU HD22 H 1 0.913 0.003 . 2 . . . . 17 L QD2 . 16478 1 175 . 1 1 17 17 LEU HD23 H 1 0.913 0.003 . 2 . . . . 17 L QD2 . 16478 1 176 . 1 1 17 17 LEU HG H 1 1.625 0.003 . 1 . . . . 17 L HG . 16478 1 177 . 1 1 17 17 LEU C C 13 177.627 0.030 . 1 . . . . 17 L C . 16478 1 178 . 1 1 17 17 LEU CA C 13 55.675 0.300 . 1 . . . . 17 L CA . 16478 1 179 . 1 1 17 17 LEU CB C 13 42.334 0.010 . 1 . . . . 17 L CB . 16478 1 180 . 1 1 17 17 LEU CD1 C 13 23.622 0.002 . 2 . . . . 17 L CD1 . 16478 1 181 . 1 1 17 17 LEU CD2 C 13 24.934 0.023 . 2 . . . . 17 L CD2 . 16478 1 182 . 1 1 17 17 LEU CG C 13 27.145 0.002 . 1 . . . . 17 L CG . 16478 1 183 . 1 1 17 17 LEU N N 15 124.278 0.018 . 1 . . . . 17 L N . 16478 1 184 . 1 1 18 18 THR H H 1 8.088 0.001 . 1 . . . . 18 T H . 16478 1 185 . 1 1 18 18 THR HA H 1 4.260 0.001 . 1 . . . . 18 T HA . 16478 1 186 . 1 1 18 18 THR HB H 1 4.236 0.030 . 1 . . . . 18 T HB . 16478 1 187 . 1 1 18 18 THR HG21 H 1 1.169 0.002 . 1 . . . . 18 T QG2 . 16478 1 188 . 1 1 18 18 THR HG22 H 1 1.169 0.002 . 1 . . . . 18 T QG2 . 16478 1 189 . 1 1 18 18 THR HG23 H 1 1.169 0.002 . 1 . . . . 18 T QG2 . 16478 1 190 . 1 1 18 18 THR C C 13 174.451 0.029 . 1 . . . . 18 T C . 16478 1 191 . 1 1 18 18 THR CA C 13 62.208 0.008 . 1 . . . . 18 T CA . 16478 1 192 . 1 1 18 18 THR CB C 13 69.586 0.300 . 1 . . . . 18 T CB . 16478 1 193 . 1 1 18 18 THR CG2 C 13 21.663 0.003 . 1 . . . . 18 T CG2 . 16478 1 194 . 1 1 18 18 THR N N 15 114.571 0.014 . 1 . . . . 18 T N . 16478 1 195 . 1 1 19 19 ARG H H 1 8.230 0.004 . 1 . . . . 19 R H . 16478 1 196 . 1 1 19 19 ARG HA H 1 4.310 0.030 . 1 . . . . 19 R HA . 16478 1 197 . 1 1 19 19 ARG HB2 H 1 1.860 0.003 . 2 . . . . 19 R QB . 16478 1 198 . 1 1 19 19 ARG HB3 H 1 1.860 0.003 . 2 . . . . 19 R QB . 16478 1 199 . 1 1 19 19 ARG HD2 H 1 3.178 0.003 . 2 . . . . 19 R QD . 16478 1 200 . 1 1 19 19 ARG HD3 H 1 3.178 0.003 . 2 . . . . 19 R QD . 16478 1 201 . 1 1 19 19 ARG HG2 H 1 1.658 0.030 . 2 . . . . 19 R QG . 16478 1 202 . 1 1 19 19 ARG HG3 H 1 1.658 0.030 . 2 . . . . 19 R QG . 16478 1 203 . 1 1 19 19 ARG C C 13 175.937 0.034 . 1 . . . . 19 R C . 16478 1 204 . 1 1 19 19 ARG CA C 13 56.167 0.300 . 1 . . . . 19 R CA . 16478 1 205 . 1 1 19 19 ARG CB C 13 30.879 0.014 . 1 . . . . 19 R CB . 16478 1 206 . 1 1 19 19 ARG CD C 13 43.261 0.300 . 1 . . . . 19 R CD . 16478 1 207 . 1 1 19 19 ARG CG C 13 27.188 0.300 . 1 . . . . 19 R CG . 16478 1 208 . 1 1 19 19 ARG N N 15 123.493 0.065 . 1 . . . . 19 R N . 16478 1 209 . 1 1 20 20 ARG H H 1 8.398 0.003 . 1 . . . . 20 R H . 16478 1 210 . 1 1 20 20 ARG HA H 1 4.299 0.030 . 1 . . . . 20 R HA . 16478 1 211 . 1 1 20 20 ARG HB2 H 1 1.747 0.030 . 2 . . . . 20 R HB2 . 16478 1 212 . 1 1 20 20 ARG HB3 H 1 1.842 0.030 . 2 . . . . 20 R HB3 . 16478 1 213 . 1 1 20 20 ARG HD2 H 1 3.169 0.030 . 2 . . . . 20 R QD . 16478 1 214 . 1 1 20 20 ARG HD3 H 1 3.169 0.030 . 2 . . . . 20 R QD . 16478 1 215 . 1 1 20 20 ARG HG2 H 1 1.641 0.030 . 2 . . . . 20 R QG . 16478 1 216 . 1 1 20 20 ARG HG3 H 1 1.641 0.030 . 2 . . . . 20 R QG . 16478 1 217 . 1 1 20 20 ARG C C 13 176.666 0.021 . 1 . . . . 20 R C . 16478 1 218 . 1 1 20 20 ARG CA C 13 56.161 0.300 . 1 . . . . 20 R CA . 16478 1 219 . 1 1 20 20 ARG CB C 13 30.829 0.006 . 1 . . . . 20 R CB . 16478 1 220 . 1 1 20 20 ARG CD C 13 43.300 0.300 . 1 . . . . 20 R CD . 16478 1 221 . 1 1 20 20 ARG CG C 13 27.226 0.300 . 1 . . . . 20 R CG . 16478 1 222 . 1 1 20 20 ARG N N 15 122.375 0.010 . 1 . . . . 20 R N . 16478 1 223 . 1 1 21 21 ILE H H 1 8.435 0.002 . 1 . . . . 21 I H . 16478 1 224 . 1 1 21 21 ILE HA H 1 4.132 0.002 . 1 . . . . 21 I HA . 16478 1 225 . 1 1 21 21 ILE HB H 1 1.883 0.002 . 1 . . . . 21 I HB . 16478 1 226 . 1 1 21 21 ILE HD11 H 1 0.811 0.030 . 1 . . . . 21 I QD1 . 16478 1 227 . 1 1 21 21 ILE HD12 H 1 0.811 0.030 . 1 . . . . 21 I QD1 . 16478 1 228 . 1 1 21 21 ILE HD13 H 1 0.811 0.030 . 1 . . . . 21 I QD1 . 16478 1 229 . 1 1 21 21 ILE HG12 H 1 1.216 0.001 . 2 . . . . 21 I HG12 . 16478 1 230 . 1 1 21 21 ILE HG13 H 1 1.419 0.002 . 2 . . . . 21 I HG13 . 16478 1 231 . 1 1 21 21 ILE HG21 H 1 0.882 0.001 . 1 . . . . 21 I QG2 . 16478 1 232 . 1 1 21 21 ILE HG22 H 1 0.882 0.001 . 1 . . . . 21 I QG2 . 16478 1 233 . 1 1 21 21 ILE HG23 H 1 0.882 0.001 . 1 . . . . 21 I QG2 . 16478 1 234 . 1 1 21 21 ILE C C 13 175.745 0.013 . 1 . . . . 21 I C . 16478 1 235 . 1 1 21 21 ILE CA C 13 61.174 0.022 . 1 . . . . 21 I CA . 16478 1 236 . 1 1 21 21 ILE CB C 13 38.374 0.300 . 1 . . . . 21 I CB . 16478 1 237 . 1 1 21 21 ILE CD1 C 13 13.129 0.002 . 1 . . . . 21 I CD1 . 16478 1 238 . 1 1 21 21 ILE CG1 C 13 27.475 0.003 . 1 . . . . 21 I CG1 . 16478 1 239 . 1 1 21 21 ILE CG2 C 13 17.812 0.026 . 1 . . . . 21 I CG2 . 16478 1 240 . 1 1 21 21 ILE N N 15 122.163 0.018 . 1 . . . . 21 I N . 16478 1 241 . 1 1 22 22 ASP H H 1 8.274 0.001 . 1 . . . . 22 D H . 16478 1 242 . 1 1 22 22 ASP HA H 1 4.630 0.030 . 1 . . . . 22 D HA . 16478 1 243 . 1 1 22 22 ASP HB2 H 1 2.708 0.030 . 2 . . . . 22 D QB . 16478 1 244 . 1 1 22 22 ASP HB3 H 1 2.708 0.030 . 2 . . . . 22 D QB . 16478 1 245 . 1 1 22 22 ASP C C 13 176.549 0.045 . 1 . . . . 22 D C . 16478 1 246 . 1 1 22 22 ASP CA C 13 54.414 0.300 . 1 . . . . 22 D CA . 16478 1 247 . 1 1 22 22 ASP CB C 13 41.376 0.300 . 1 . . . . 22 D CB . 16478 1 248 . 1 1 22 22 ASP N N 15 123.882 0.013 . 1 . . . . 22 D N . 16478 1 249 . 1 1 23 23 ASP H H 1 8.288 0.004 . 1 . . . . 23 D H . 16478 1 250 . 1 1 23 23 ASP HA H 1 4.650 0.030 . 1 . . . . 23 D HA . 16478 1 251 . 1 1 23 23 ASP HB2 H 1 2.744 0.030 . 2 . . . . 23 D QB . 16478 1 252 . 1 1 23 23 ASP HB3 H 1 2.744 0.030 . 2 . . . . 23 D QB . 16478 1 253 . 1 1 23 23 ASP C C 13 178.011 0.031 . 1 . . . . 23 D C . 16478 1 254 . 1 1 23 23 ASP CA C 13 56.197 0.300 . 1 . . . . 23 D CA . 16478 1 255 . 1 1 23 23 ASP CB C 13 41.048 0.300 . 1 . . . . 23 D CB . 16478 1 256 . 1 1 23 23 ASP N N 15 119.593 0.026 . 1 . . . . 23 D N . 16478 1 257 . 1 1 24 24 THR H H 1 8.386 0.002 . 1 . . . . 24 T H . 16478 1 258 . 1 1 24 24 THR HA H 1 4.259 0.004 . 1 . . . . 24 T HA . 16478 1 259 . 1 1 24 24 THR HB H 1 4.361 0.002 . 1 . . . . 24 T HB . 16478 1 260 . 1 1 24 24 THR HG21 H 1 1.296 0.001 . 1 . . . . 24 T QG2 . 16478 1 261 . 1 1 24 24 THR HG22 H 1 1.296 0.001 . 1 . . . . 24 T QG2 . 16478 1 262 . 1 1 24 24 THR HG23 H 1 1.296 0.001 . 1 . . . . 24 T QG2 . 16478 1 263 . 1 1 24 24 THR C C 13 176.905 0.023 . 1 . . . . 24 T C . 16478 1 264 . 1 1 24 24 THR CA C 13 64.275 0.008 . 1 . . . . 24 T CA . 16478 1 265 . 1 1 24 24 THR CB C 13 69.358 0.019 . 1 . . . . 24 T CB . 16478 1 266 . 1 1 24 24 THR CG2 C 13 21.816 0.036 . 1 . . . . 24 T CG2 . 16478 1 267 . 1 1 24 24 THR N N 15 113.560 0.005 . 1 . . . . 24 T N . 16478 1 268 . 1 1 25 25 ILE H H 1 8.008 0.001 . 1 . . . . 25 I H . 16478 1 269 . 1 1 25 25 ILE HA H 1 4.170 0.002 . 1 . . . . 25 I HA . 16478 1 270 . 1 1 25 25 ILE HB H 1 2.090 0.004 . 1 . . . . 25 I HB . 16478 1 271 . 1 1 25 25 ILE HD11 H 1 0.875 0.001 . 1 . . . . 25 I QD1 . 16478 1 272 . 1 1 25 25 ILE HD12 H 1 0.875 0.001 . 1 . . . . 25 I QD1 . 16478 1 273 . 1 1 25 25 ILE HD13 H 1 0.875 0.001 . 1 . . . . 25 I QD1 . 16478 1 274 . 1 1 25 25 ILE HG12 H 1 1.348 0.005 . 2 . . . . 25 I HG12 . 16478 1 275 . 1 1 25 25 ILE HG13 H 1 1.553 0.008 . 2 . . . . 25 I HG13 . 16478 1 276 . 1 1 25 25 ILE HG21 H 1 0.949 0.001 . 1 . . . . 25 I QG2 . 16478 1 277 . 1 1 25 25 ILE HG22 H 1 0.949 0.001 . 1 . . . . 25 I QG2 . 16478 1 278 . 1 1 25 25 ILE HG23 H 1 0.949 0.001 . 1 . . . . 25 I QG2 . 16478 1 279 . 1 1 25 25 ILE C C 13 176.546 0.039 . 1 . . . . 25 I C . 16478 1 280 . 1 1 25 25 ILE CA C 13 63.173 0.035 . 1 . . . . 25 I CA . 16478 1 281 . 1 1 25 25 ILE CB C 13 38.380 0.022 . 1 . . . . 25 I CB . 16478 1 282 . 1 1 25 25 ILE CD1 C 13 13.750 0.038 . 1 . . . . 25 I CD1 . 16478 1 283 . 1 1 25 25 ILE CG1 C 13 28.787 0.013 . 1 . . . . 25 I CG1 . 16478 1 284 . 1 1 25 25 ILE CG2 C 13 18.059 0.009 . 1 . . . . 25 I CG2 . 16478 1 285 . 1 1 25 25 ILE N N 15 121.784 0.035 . 1 . . . . 25 I N . 16478 1 286 . 1 1 26 26 PHE H H 1 7.948 0.001 . 1 . . . . 26 F H . 16478 1 287 . 1 1 26 26 PHE HA H 1 4.090 0.001 . 1 . . . . 26 F HA . 16478 1 288 . 1 1 26 26 PHE HB2 H 1 2.931 0.030 . 2 . . . . 26 F HB2 . 16478 1 289 . 1 1 26 26 PHE HB3 H 1 3.019 0.030 . 2 . . . . 26 F HB3 . 16478 1 290 . 1 1 26 26 PHE HD1 H 1 6.787 0.004 . 3 . . . . 26 F HD1 . 16478 1 291 . 1 1 26 26 PHE HD2 H 1 6.783 0.030 . 3 . . . . 26 F HD2 . 16478 1 292 . 1 1 26 26 PHE HE1 H 1 7.116 0.010 . 3 . . . . 26 F HE1 . 16478 1 293 . 1 1 26 26 PHE HE2 H 1 7.112 0.013 . 3 . . . . 26 F HE2 . 16478 1 294 . 1 1 26 26 PHE HZ H 1 6.806 0.030 . 1 . . . . 26 F HZ . 16478 1 295 . 1 1 26 26 PHE C C 13 175.601 0.021 . 1 . . . . 26 F C . 16478 1 296 . 1 1 26 26 PHE CA C 13 60.841 0.013 . 1 . . . . 26 F CA . 16478 1 297 . 1 1 26 26 PHE CB C 13 39.272 0.051 . 1 . . . . 26 F CB . 16478 1 298 . 1 1 26 26 PHE N N 15 119.214 0.026 . 1 . . . . 26 F N . 16478 1 299 . 1 1 27 27 GLN H H 1 7.635 0.001 . 1 . . . . 27 Q H . 16478 1 300 . 1 1 27 27 GLN HA H 1 4.122 0.002 . 1 . . . . 27 Q HA . 16478 1 301 . 1 1 27 27 GLN HB2 H 1 1.998 0.003 . 2 . . . . 27 Q HB2 . 16478 1 302 . 1 1 27 27 GLN HB3 H 1 2.268 0.005 . 2 . . . . 27 Q HB3 . 16478 1 303 . 1 1 27 27 GLN HE21 H 1 6.861 0.030 . 2 . . . . 27 Q HE21 . 16478 1 304 . 1 1 27 27 GLN HE22 H 1 7.548 0.030 . 2 . . . . 27 Q HE22 . 16478 1 305 . 1 1 27 27 GLN HG2 H 1 2.418 0.004 . 2 . . . . 27 Q QG . 16478 1 306 . 1 1 27 27 GLN HG3 H 1 2.418 0.004 . 2 . . . . 27 Q QG . 16478 1 307 . 1 1 27 27 GLN C C 13 175.760 0.027 . 1 . . . . 27 Q C . 16478 1 308 . 1 1 27 27 GLN CA C 13 55.572 0.015 . 1 . . . . 27 Q CA . 16478 1 309 . 1 1 27 27 GLN CB C 13 28.568 0.001 . 1 . . . . 27 Q CB . 16478 1 310 . 1 1 27 27 GLN CG C 13 34.023 0.002 . 1 . . . . 27 Q CG . 16478 1 311 . 1 1 27 27 GLN N N 15 112.895 0.007 . 1 . . . . 27 Q N . 16478 1 312 . 1 1 27 27 GLN NE2 N 15 111.775 0.011 . 1 . . . . 27 Q NE2 . 16478 1 313 . 1 1 28 28 ASN H H 1 7.687 0.002 . 1 . . . . 28 N H . 16478 1 314 . 1 1 28 28 ASN HA H 1 4.825 0.002 . 1 . . . . 28 N HA . 16478 1 315 . 1 1 28 28 ASN HB2 H 1 2.954 0.030 . 2 . . . . 28 N HB2 . 16478 1 316 . 1 1 28 28 ASN HB3 H 1 3.057 0.030 . 2 . . . . 28 N HB3 . 16478 1 317 . 1 1 28 28 ASN HD21 H 1 7.931 0.001 . 2 . . . . 28 N HD21 . 16478 1 318 . 1 1 28 28 ASN HD22 H 1 7.222 0.001 . 2 . . . . 28 N HD22 . 16478 1 319 . 1 1 28 28 ASN C C 13 174.905 0.300 . 1 . . . . 28 N C . 16478 1 320 . 1 1 28 28 ASN CA C 13 51.752 0.009 . 1 . . . . 28 N CA . 16478 1 321 . 1 1 28 28 ASN CB C 13 39.605 0.002 . 1 . . . . 28 N CB . 16478 1 322 . 1 1 28 28 ASN N N 15 122.169 0.027 . 1 . . . . 28 N N . 16478 1 323 . 1 1 28 28 ASN ND2 N 15 113.461 0.003 . 1 . . . . 28 N ND2 . 16478 1 324 . 1 1 29 29 PRO HA H 1 4.229 0.002 . 1 . . . . 29 P HA . 16478 1 325 . 1 1 29 29 PRO HB2 H 1 2.018 0.030 . 2 . . . . 29 P HB2 . 16478 1 326 . 1 1 29 29 PRO HB3 H 1 2.409 0.002 . 2 . . . . 29 P HB3 . 16478 1 327 . 1 1 29 29 PRO HD2 H 1 3.813 0.003 . 2 . . . . 29 P HD2 . 16478 1 328 . 1 1 29 29 PRO HD3 H 1 4.059 0.004 . 2 . . . . 29 P HD3 . 16478 1 329 . 1 1 29 29 PRO HG2 H 1 2.076 0.030 . 2 . . . . 29 P HG2 . 16478 1 330 . 1 1 29 29 PRO HG3 H 1 2.108 0.030 . 2 . . . . 29 P HG3 . 16478 1 331 . 1 1 29 29 PRO C C 13 178.757 0.006 . 1 . . . . 29 P C . 16478 1 332 . 1 1 29 29 PRO CA C 13 65.477 0.040 . 1 . . . . 29 P CA . 16478 1 333 . 1 1 29 29 PRO CB C 13 32.467 0.300 . 1 . . . . 29 P CB . 16478 1 334 . 1 1 29 29 PRO CD C 13 51.328 0.024 . 1 . . . . 29 P CD . 16478 1 335 . 1 1 29 29 PRO CG C 13 27.646 0.015 . 1 . . . . 29 P CG . 16478 1 336 . 1 1 30 30 MET H H 1 8.260 0.002 . 1 . . . . 30 M H . 16478 1 337 . 1 1 30 30 MET HA H 1 4.110 0.003 . 1 . . . . 30 M HA . 16478 1 338 . 1 1 30 30 MET HB2 H 1 1.831 0.006 . 2 . . . . 30 M HB2 . 16478 1 339 . 1 1 30 30 MET HB3 H 1 2.110 0.005 . 2 . . . . 30 M HB3 . 16478 1 340 . 1 1 30 30 MET HE1 H 1 1.839 0.030 . 1 . . . . 30 M QE . 16478 1 341 . 1 1 30 30 MET HE2 H 1 1.839 0.030 . 1 . . . . 30 M QE . 16478 1 342 . 1 1 30 30 MET HE3 H 1 1.839 0.030 . 1 . . . . 30 M QE . 16478 1 343 . 1 1 30 30 MET HG2 H 1 2.256 0.005 . 2 . . . . 30 M HG2 . 16478 1 344 . 1 1 30 30 MET HG3 H 1 2.423 0.002 . 2 . . . . 30 M HG3 . 16478 1 345 . 1 1 30 30 MET C C 13 177.889 0.042 . 1 . . . . 30 M C . 16478 1 346 . 1 1 30 30 MET CA C 13 59.056 0.032 . 1 . . . . 30 M CA . 16478 1 347 . 1 1 30 30 MET CB C 13 33.762 0.042 . 1 . . . . 30 M CB . 16478 1 348 . 1 1 30 30 MET CE C 13 16.543 0.300 . 1 . . . . 30 M CE . 16478 1 349 . 1 1 30 30 MET CG C 13 31.856 0.034 . 1 . . . . 30 M CG . 16478 1 350 . 1 1 30 30 MET N N 15 117.515 0.033 . 1 . . . . 30 M N . 16478 1 351 . 1 1 31 31 VAL H H 1 7.333 0.002 . 1 . . . . 31 V H . 16478 1 352 . 1 1 31 31 VAL HA H 1 3.351 0.001 . 1 . . . . 31 V HA . 16478 1 353 . 1 1 31 31 VAL HB H 1 2.495 0.004 . 1 . . . . 31 V HB . 16478 1 354 . 1 1 31 31 VAL HG11 H 1 1.018 0.002 . 2 . . . . 31 V QG1 . 16478 1 355 . 1 1 31 31 VAL HG12 H 1 1.018 0.002 . 2 . . . . 31 V QG1 . 16478 1 356 . 1 1 31 31 VAL HG13 H 1 1.018 0.002 . 2 . . . . 31 V QG1 . 16478 1 357 . 1 1 31 31 VAL HG21 H 1 1.049 0.001 . 2 . . . . 31 V QG2 . 16478 1 358 . 1 1 31 31 VAL HG22 H 1 1.049 0.001 . 2 . . . . 31 V QG2 . 16478 1 359 . 1 1 31 31 VAL HG23 H 1 1.049 0.001 . 2 . . . . 31 V QG2 . 16478 1 360 . 1 1 31 31 VAL C C 13 177.650 0.031 . 1 . . . . 31 V C . 16478 1 361 . 1 1 31 31 VAL CA C 13 66.732 0.014 . 1 . . . . 31 V CA . 16478 1 362 . 1 1 31 31 VAL CB C 13 31.368 0.009 . 1 . . . . 31 V CB . 16478 1 363 . 1 1 31 31 VAL CG1 C 13 21.534 0.039 . 2 . . . . 31 V CG1 . 16478 1 364 . 1 1 31 31 VAL CG2 C 13 23.844 0.009 . 2 . . . . 31 V CG2 . 16478 1 365 . 1 1 31 31 VAL N N 15 118.811 0.036 . 1 . . . . 31 V N . 16478 1 366 . 1 1 32 32 GLN H H 1 7.675 0.002 . 1 . . . . 32 Q H . 16478 1 367 . 1 1 32 32 GLN HA H 1 3.662 0.004 . 1 . . . . 32 Q HA . 16478 1 368 . 1 1 32 32 GLN HB2 H 1 2.009 0.004 . 2 . . . . 32 Q QB . 16478 1 369 . 1 1 32 32 GLN HB3 H 1 2.009 0.004 . 2 . . . . 32 Q QB . 16478 1 370 . 1 1 32 32 GLN HE21 H 1 5.792 0.030 . 2 . . . . 32 Q HE21 . 16478 1 371 . 1 1 32 32 GLN HE22 H 1 7.412 0.030 . 2 . . . . 32 Q HE22 . 16478 1 372 . 1 1 32 32 GLN HG2 H 1 2.130 0.030 . 2 . . . . 32 Q HG2 . 16478 1 373 . 1 1 32 32 GLN HG3 H 1 2.279 0.007 . 2 . . . . 32 Q HG3 . 16478 1 374 . 1 1 32 32 GLN C C 13 178.943 0.026 . 1 . . . . 32 Q C . 16478 1 375 . 1 1 32 32 GLN CA C 13 58.787 0.062 . 1 . . . . 32 Q CA . 16478 1 376 . 1 1 32 32 GLN CB C 13 27.986 0.001 . 1 . . . . 32 Q CB . 16478 1 377 . 1 1 32 32 GLN CG C 13 33.346 0.003 . 1 . . . . 32 Q CG . 16478 1 378 . 1 1 32 32 GLN N N 15 115.563 0.005 . 1 . . . . 32 Q N . 16478 1 379 . 1 1 32 32 GLN NE2 N 15 112.687 0.024 . 1 . . . . 32 Q NE2 . 16478 1 380 . 1 1 33 33 GLU H H 1 7.884 0.003 . 1 . . . . 33 E H . 16478 1 381 . 1 1 33 33 GLU HA H 1 4.109 0.002 . 1 . . . . 33 E HA . 16478 1 382 . 1 1 33 33 GLU HB2 H 1 1.985 0.030 . 2 . . . . 33 E QB . 16478 1 383 . 1 1 33 33 GLU HB3 H 1 1.985 0.030 . 2 . . . . 33 E QB . 16478 1 384 . 1 1 33 33 GLU HG2 H 1 2.327 0.030 . 2 . . . . 33 E QG . 16478 1 385 . 1 1 33 33 GLU HG3 H 1 2.327 0.030 . 2 . . . . 33 E QG . 16478 1 386 . 1 1 33 33 GLU C C 13 178.302 0.045 . 1 . . . . 33 E C . 16478 1 387 . 1 1 33 33 GLU CA C 13 59.127 0.300 . 1 . . . . 33 E CA . 16478 1 388 . 1 1 33 33 GLU CB C 13 29.517 0.300 . 1 . . . . 33 E CB . 16478 1 389 . 1 1 33 33 GLU CG C 13 36.247 0.005 . 1 . . . . 33 E CG . 16478 1 390 . 1 1 33 33 GLU N N 15 119.201 0.021 . 1 . . . . 33 E N . 16478 1 391 . 1 1 34 34 ALA H H 1 7.987 0.001 . 1 . . . . 34 A H . 16478 1 392 . 1 1 34 34 ALA HA H 1 4.222 0.001 . 1 . . . . 34 A HA . 16478 1 393 . 1 1 34 34 ALA HB1 H 1 1.304 0.030 . 1 . . . . 34 A QB . 16478 1 394 . 1 1 34 34 ALA HB2 H 1 1.304 0.030 . 1 . . . . 34 A QB . 16478 1 395 . 1 1 34 34 ALA HB3 H 1 1.304 0.030 . 1 . . . . 34 A QB . 16478 1 396 . 1 1 34 34 ALA C C 13 179.998 0.027 . 1 . . . . 34 A C . 16478 1 397 . 1 1 34 34 ALA CA C 13 55.510 0.300 . 1 . . . . 34 A CA . 16478 1 398 . 1 1 34 34 ALA CB C 13 17.145 0.001 . 1 . . . . 34 A CB . 16478 1 399 . 1 1 34 34 ALA N N 15 122.261 0.012 . 1 . . . . 34 A N . 16478 1 400 . 1 1 35 35 ILE H H 1 8.444 0.002 . 1 . . . . 35 I H . 16478 1 401 . 1 1 35 35 ILE HA H 1 4.533 0.002 . 1 . . . . 35 I HA . 16478 1 402 . 1 1 35 35 ILE HB H 1 1.914 0.002 . 1 . . . . 35 I HB . 16478 1 403 . 1 1 35 35 ILE HD11 H 1 0.877 0.001 . 1 . . . . 35 I QD1 . 16478 1 404 . 1 1 35 35 ILE HD12 H 1 0.877 0.001 . 1 . . . . 35 I QD1 . 16478 1 405 . 1 1 35 35 ILE HD13 H 1 0.877 0.001 . 1 . . . . 35 I QD1 . 16478 1 406 . 1 1 35 35 ILE HG12 H 1 1.827 0.006 . 2 . . . . 35 I QG1 . 16478 1 407 . 1 1 35 35 ILE HG13 H 1 1.827 0.006 . 2 . . . . 35 I QG1 . 16478 1 408 . 1 1 35 35 ILE HG21 H 1 0.977 0.004 . 1 . . . . 35 I QG2 . 16478 1 409 . 1 1 35 35 ILE HG22 H 1 0.977 0.004 . 1 . . . . 35 I QG2 . 16478 1 410 . 1 1 35 35 ILE HG23 H 1 0.977 0.004 . 1 . . . . 35 I QG2 . 16478 1 411 . 1 1 35 35 ILE C C 13 181.651 0.034 . 1 . . . . 35 I C . 16478 1 412 . 1 1 35 35 ILE CA C 13 64.325 0.020 . 1 . . . . 35 I CA . 16478 1 413 . 1 1 35 35 ILE CB C 13 38.136 0.023 . 1 . . . . 35 I CB . 16478 1 414 . 1 1 35 35 ILE CD1 C 13 14.596 0.040 . 1 . . . . 35 I CD1 . 16478 1 415 . 1 1 35 35 ILE CG1 C 13 29.156 0.017 . 1 . . . . 35 I CG1 . 16478 1 416 . 1 1 35 35 ILE CG2 C 13 16.915 0.022 . 1 . . . . 35 I CG2 . 16478 1 417 . 1 1 35 35 ILE N N 15 120.796 0.021 . 1 . . . . 35 I N . 16478 1 418 . 1 1 36 36 ARG H H 1 8.046 0.002 . 1 . . . . 36 R H . 16478 1 419 . 1 1 36 36 ARG HA H 1 4.021 0.001 . 1 . . . . 36 R HA . 16478 1 420 . 1 1 36 36 ARG HB2 H 1 2.012 0.003 . 2 . . . . 36 R QB . 16478 1 421 . 1 1 36 36 ARG HB3 H 1 2.012 0.003 . 2 . . . . 36 R QB . 16478 1 422 . 1 1 36 36 ARG HD2 H 1 3.223 0.002 . 2 . . . . 36 R QD . 16478 1 423 . 1 1 36 36 ARG HD3 H 1 3.223 0.002 . 2 . . . . 36 R QD . 16478 1 424 . 1 1 36 36 ARG HE H 1 7.553 0.030 . 1 . . . . 36 R HE . 16478 1 425 . 1 1 36 36 ARG HG2 H 1 1.832 0.030 . 2 . . . . 36 R QG . 16478 1 426 . 1 1 36 36 ARG HG3 H 1 1.832 0.030 . 2 . . . . 36 R QG . 16478 1 427 . 1 1 36 36 ARG C C 13 178.499 0.024 . 1 . . . . 36 R C . 16478 1 428 . 1 1 36 36 ARG CA C 13 59.684 0.001 . 1 . . . . 36 R CA . 16478 1 429 . 1 1 36 36 ARG CB C 13 29.973 0.300 . 1 . . . . 36 R CB . 16478 1 430 . 1 1 36 36 ARG CD C 13 43.395 0.004 . 1 . . . . 36 R CD . 16478 1 431 . 1 1 36 36 ARG CG C 13 27.994 0.033 . 1 . . . . 36 R CG . 16478 1 432 . 1 1 36 36 ARG N N 15 123.384 0.005 . 1 . . . . 36 R N . 16478 1 433 . 1 1 36 36 ARG NE N 15 83.917 0.300 . 1 . . . . 36 R NE . 16478 1 434 . 1 1 37 37 MET H H 1 7.761 0.002 . 1 . . . . 37 M H . 16478 1 435 . 1 1 37 37 MET HA H 1 4.201 0.001 . 1 . . . . 37 M HA . 16478 1 436 . 1 1 37 37 MET HB2 H 1 2.402 0.005 . 2 . . . . 37 M QB . 16478 1 437 . 1 1 37 37 MET HB3 H 1 2.402 0.005 . 2 . . . . 37 M QB . 16478 1 438 . 1 1 37 37 MET HE1 H 1 2.185 0.030 . 1 . . . . 37 M QE . 16478 1 439 . 1 1 37 37 MET HE2 H 1 2.185 0.030 . 1 . . . . 37 M QE . 16478 1 440 . 1 1 37 37 MET HE3 H 1 2.185 0.030 . 1 . . . . 37 M QE . 16478 1 441 . 1 1 37 37 MET HG2 H 1 2.596 0.006 . 2 . . . . 37 M HG2 . 16478 1 442 . 1 1 37 37 MET HG3 H 1 2.939 0.005 . 2 . . . . 37 M HG3 . 16478 1 443 . 1 1 37 37 MET C C 13 175.920 0.024 . 1 . . . . 37 M C . 16478 1 444 . 1 1 37 37 MET CA C 13 57.106 0.007 . 1 . . . . 37 M CA . 16478 1 445 . 1 1 37 37 MET CB C 13 34.018 0.300 . 1 . . . . 37 M CB . 16478 1 446 . 1 1 37 37 MET CE C 13 17.435 0.300 . 1 . . . . 37 M CE . 16478 1 447 . 1 1 37 37 MET CG C 13 32.787 0.059 . 1 . . . . 37 M CG . 16478 1 448 . 1 1 37 37 MET N N 15 116.255 0.037 . 1 . . . . 37 M N . 16478 1 449 . 1 1 38 38 GLY H H 1 7.941 0.001 . 1 . . . . 38 G H . 16478 1 450 . 1 1 38 38 GLY HA2 H 1 3.587 0.001 . 2 . . . . 38 G HA2 . 16478 1 451 . 1 1 38 38 GLY HA3 H 1 4.166 0.001 . 2 . . . . 38 G HA3 . 16478 1 452 . 1 1 38 38 GLY C C 13 174.433 0.036 . 1 . . . . 38 G C . 16478 1 453 . 1 1 38 38 GLY CA C 13 44.704 0.067 . 1 . . . . 38 G CA . 16478 1 454 . 1 1 38 38 GLY N N 15 105.619 0.009 . 1 . . . . 38 G N . 16478 1 455 . 1 1 39 39 PHE H H 1 7.630 0.002 . 1 . . . . 39 F H . 16478 1 456 . 1 1 39 39 PHE HA H 1 4.603 0.030 . 1 . . . . 39 F HA . 16478 1 457 . 1 1 39 39 PHE HB2 H 1 2.567 0.005 . 2 . . . . 39 F HB2 . 16478 1 458 . 1 1 39 39 PHE HB3 H 1 2.997 0.030 . 2 . . . . 39 F HB3 . 16478 1 459 . 1 1 39 39 PHE HD1 H 1 7.470 0.016 . 3 . . . . 39 F HD1 . 16478 1 460 . 1 1 39 39 PHE HD2 H 1 7.478 0.007 . 3 . . . . 39 F HD2 . 16478 1 461 . 1 1 39 39 PHE HE1 H 1 7.191 0.013 . 3 . . . . 39 F HE1 . 16478 1 462 . 1 1 39 39 PHE HE2 H 1 7.193 0.014 . 3 . . . . 39 F HE2 . 16478 1 463 . 1 1 39 39 PHE HZ H 1 6.777 0.030 . 1 . . . . 39 F HZ . 16478 1 464 . 1 1 39 39 PHE C C 13 174.928 0.030 . 1 . . . . 39 F C . 16478 1 465 . 1 1 39 39 PHE CA C 13 58.403 0.002 . 1 . . . . 39 F CA . 16478 1 466 . 1 1 39 39 PHE CB C 13 39.448 0.022 . 1 . . . . 39 F CB . 16478 1 467 . 1 1 39 39 PHE N N 15 120.168 0.007 . 1 . . . . 39 F N . 16478 1 468 . 1 1 40 40 SER H H 1 9.447 0.001 . 1 . . . . 40 S H . 16478 1 469 . 1 1 40 40 SER HA H 1 4.618 0.004 . 1 . . . . 40 S HA . 16478 1 470 . 1 1 40 40 SER HB2 H 1 4.075 0.030 . 2 . . . . 40 S HB2 . 16478 1 471 . 1 1 40 40 SER HB3 H 1 4.201 0.001 . 2 . . . . 40 S HB3 . 16478 1 472 . 1 1 40 40 SER C C 13 175.969 0.027 . 1 . . . . 40 S C . 16478 1 473 . 1 1 40 40 SER CA C 13 57.227 0.039 . 1 . . . . 40 S CA . 16478 1 474 . 1 1 40 40 SER CB C 13 64.673 0.059 . 1 . . . . 40 S CB . 16478 1 475 . 1 1 40 40 SER N N 15 117.395 0.006 . 1 . . . . 40 S N . 16478 1 476 . 1 1 41 41 PHE H H 1 9.538 0.001 . 1 . . . . 41 F H . 16478 1 477 . 1 1 41 41 PHE HA H 1 4.225 0.002 . 1 . . . . 41 F HA . 16478 1 478 . 1 1 41 41 PHE HB2 H 1 3.081 0.006 . 2 . . . . 41 F HB2 . 16478 1 479 . 1 1 41 41 PHE HB3 H 1 3.378 0.003 . 2 . . . . 41 F HB3 . 16478 1 480 . 1 1 41 41 PHE HD1 H 1 7.162 0.030 . 3 . . . . 41 F HD1 . 16478 1 481 . 1 1 41 41 PHE HD2 H 1 7.162 0.030 . 3 . . . . 41 F HD2 . 16478 1 482 . 1 1 41 41 PHE HE1 H 1 7.173 0.030 . 3 . . . . 41 F HE1 . 16478 1 483 . 1 1 41 41 PHE HE2 H 1 7.210 0.006 . 3 . . . . 41 F HE2 . 16478 1 484 . 1 1 41 41 PHE HZ H 1 6.770 0.030 . 1 . . . . 41 F HZ . 16478 1 485 . 1 1 41 41 PHE C C 13 176.242 0.037 . 1 . . . . 41 F C . 16478 1 486 . 1 1 41 41 PHE CA C 13 61.639 0.005 . 1 . . . . 41 F CA . 16478 1 487 . 1 1 41 41 PHE CB C 13 38.826 0.044 . 1 . . . . 41 F CB . 16478 1 488 . 1 1 41 41 PHE N N 15 125.530 0.014 . 1 . . . . 41 F N . 16478 1 489 . 1 1 42 42 LYS H H 1 8.529 0.001 . 1 . . . . 42 K H . 16478 1 490 . 1 1 42 42 LYS HA H 1 3.677 0.001 . 1 . . . . 42 K HA . 16478 1 491 . 1 1 42 42 LYS HB2 H 1 1.748 0.030 . 2 . . . . 42 K HB2 . 16478 1 492 . 1 1 42 42 LYS HB3 H 1 1.849 0.030 . 2 . . . . 42 K HB3 . 16478 1 493 . 1 1 42 42 LYS HD2 H 1 1.686 0.002 . 2 . . . . 42 K QD . 16478 1 494 . 1 1 42 42 LYS HD3 H 1 1.686 0.002 . 2 . . . . 42 K QD . 16478 1 495 . 1 1 42 42 LYS HE2 H 1 3.011 0.001 . 2 . . . . 42 K QE . 16478 1 496 . 1 1 42 42 LYS HE3 H 1 3.011 0.001 . 2 . . . . 42 K QE . 16478 1 497 . 1 1 42 42 LYS HG2 H 1 1.374 0.001 . 2 . . . . 42 K HG2 . 16478 1 498 . 1 1 42 42 LYS HG3 H 1 1.492 0.004 . 2 . . . . 42 K HG3 . 16478 1 499 . 1 1 42 42 LYS C C 13 178.748 0.019 . 1 . . . . 42 K C . 16478 1 500 . 1 1 42 42 LYS CA C 13 59.808 0.007 . 1 . . . . 42 K CA . 16478 1 501 . 1 1 42 42 LYS CB C 13 32.065 0.010 . 1 . . . . 42 K CB . 16478 1 502 . 1 1 42 42 LYS CD C 13 29.383 0.003 . 1 . . . . 42 K CD . 16478 1 503 . 1 1 42 42 LYS CE C 13 41.898 0.300 . 1 . . . . 42 K CE . 16478 1 504 . 1 1 42 42 LYS CG C 13 24.629 0.014 . 1 . . . . 42 K CG . 16478 1 505 . 1 1 42 42 LYS N N 15 116.407 0.040 . 1 . . . . 42 K N . 16478 1 506 . 1 1 43 43 ASP H H 1 7.349 0.003 . 1 . . . . 43 D H . 16478 1 507 . 1 1 43 43 ASP HA H 1 4.439 0.009 . 1 . . . . 43 D HA . 16478 1 508 . 1 1 43 43 ASP HB2 H 1 2.562 0.001 . 2 . . . . 43 D HB2 . 16478 1 509 . 1 1 43 43 ASP HB3 H 1 2.864 0.008 . 2 . . . . 43 D HB3 . 16478 1 510 . 1 1 43 43 ASP C C 13 178.109 0.024 . 1 . . . . 43 D C . 16478 1 511 . 1 1 43 43 ASP CA C 13 57.215 0.017 . 1 . . . . 43 D CA . 16478 1 512 . 1 1 43 43 ASP CB C 13 40.360 0.022 . 1 . . . . 43 D CB . 16478 1 513 . 1 1 43 43 ASP N N 15 119.908 0.035 . 1 . . . . 43 D N . 16478 1 514 . 1 1 44 44 ILE H H 1 8.052 0.001 . 1 . . . . 44 I H . 16478 1 515 . 1 1 44 44 ILE HA H 1 3.439 0.002 . 1 . . . . 44 I HA . 16478 1 516 . 1 1 44 44 ILE HB H 1 1.712 0.002 . 1 . . . . 44 I HB . 16478 1 517 . 1 1 44 44 ILE HD11 H 1 0.829 0.006 . 1 . . . . 44 I QD1 . 16478 1 518 . 1 1 44 44 ILE HD12 H 1 0.829 0.006 . 1 . . . . 44 I QD1 . 16478 1 519 . 1 1 44 44 ILE HD13 H 1 0.829 0.006 . 1 . . . . 44 I QD1 . 16478 1 520 . 1 1 44 44 ILE HG12 H 1 0.596 0.007 . 2 . . . . 44 I HG12 . 16478 1 521 . 1 1 44 44 ILE HG13 H 1 1.777 0.009 . 2 . . . . 44 I HG13 . 16478 1 522 . 1 1 44 44 ILE HG21 H 1 0.945 0.002 . 1 . . . . 44 I QG2 . 16478 1 523 . 1 1 44 44 ILE HG22 H 1 0.945 0.002 . 1 . . . . 44 I QG2 . 16478 1 524 . 1 1 44 44 ILE HG23 H 1 0.945 0.002 . 1 . . . . 44 I QG2 . 16478 1 525 . 1 1 44 44 ILE C C 13 176.856 0.037 . 1 . . . . 44 I C . 16478 1 526 . 1 1 44 44 ILE CA C 13 65.221 0.004 . 1 . . . . 44 I CA . 16478 1 527 . 1 1 44 44 ILE CB C 13 39.178 0.044 . 1 . . . . 44 I CB . 16478 1 528 . 1 1 44 44 ILE CD1 C 13 17.244 0.023 . 1 . . . . 44 I CD1 . 16478 1 529 . 1 1 44 44 ILE CG1 C 13 29.275 0.045 . 1 . . . . 44 I CG1 . 16478 1 530 . 1 1 44 44 ILE CG2 C 13 18.930 0.005 . 1 . . . . 44 I CG2 . 16478 1 531 . 1 1 44 44 ILE N N 15 121.653 0.013 . 1 . . . . 44 I N . 16478 1 532 . 1 1 45 45 LYS H H 1 8.540 0.002 . 1 . . . . 45 K H . 16478 1 533 . 1 1 45 45 LYS HA H 1 3.530 0.002 . 1 . . . . 45 K HA . 16478 1 534 . 1 1 45 45 LYS HB2 H 1 0.992 0.006 . 2 . . . . 45 K HB2 . 16478 1 535 . 1 1 45 45 LYS HB3 H 1 1.369 0.005 . 2 . . . . 45 K HB3 . 16478 1 536 . 1 1 45 45 LYS HD2 H 1 1.434 0.008 . 2 . . . . 45 K QD . 16478 1 537 . 1 1 45 45 LYS HD3 H 1 1.434 0.008 . 2 . . . . 45 K QD . 16478 1 538 . 1 1 45 45 LYS HE2 H 1 2.697 0.004 . 2 . . . . 45 K HE2 . 16478 1 539 . 1 1 45 45 LYS HE3 H 1 2.824 0.003 . 2 . . . . 45 K HE3 . 16478 1 540 . 1 1 45 45 LYS HG2 H 1 1.013 0.030 . 2 . . . . 45 K HG2 . 16478 1 541 . 1 1 45 45 LYS HG3 H 1 1.095 0.002 . 2 . . . . 45 K HG3 . 16478 1 542 . 1 1 45 45 LYS C C 13 177.658 0.029 . 1 . . . . 45 K C . 16478 1 543 . 1 1 45 45 LYS CA C 13 60.286 0.032 . 1 . . . . 45 K CA . 16478 1 544 . 1 1 45 45 LYS CB C 13 32.191 0.044 . 1 . . . . 45 K CB . 16478 1 545 . 1 1 45 45 LYS CD C 13 29.806 0.033 . 1 . . . . 45 K CD . 16478 1 546 . 1 1 45 45 LYS CE C 13 41.765 0.013 . 1 . . . . 45 K CE . 16478 1 547 . 1 1 45 45 LYS CG C 13 25.031 0.021 . 1 . . . . 45 K CG . 16478 1 548 . 1 1 45 45 LYS N N 15 118.535 0.009 . 1 . . . . 45 K N . 16478 1 549 . 1 1 46 46 LYS H H 1 7.218 0.003 . 1 . . . . 46 K H . 16478 1 550 . 1 1 46 46 LYS HA H 1 4.081 0.004 . 1 . . . . 46 K HA . 16478 1 551 . 1 1 46 46 LYS HB2 H 1 1.899 0.004 . 2 . . . . 46 K QB . 16478 1 552 . 1 1 46 46 LYS HB3 H 1 1.899 0.004 . 2 . . . . 46 K QB . 16478 1 553 . 1 1 46 46 LYS HD2 H 1 1.709 0.030 . 2 . . . . 46 K QD . 16478 1 554 . 1 1 46 46 LYS HD3 H 1 1.709 0.030 . 2 . . . . 46 K QD . 16478 1 555 . 1 1 46 46 LYS HE2 H 1 2.971 0.001 . 2 . . . . 46 K QE . 16478 1 556 . 1 1 46 46 LYS HE3 H 1 2.971 0.001 . 2 . . . . 46 K QE . 16478 1 557 . 1 1 46 46 LYS HG2 H 1 1.378 0.001 . 2 . . . . 46 K HG2 . 16478 1 558 . 1 1 46 46 LYS HG3 H 1 1.462 0.030 . 2 . . . . 46 K HG3 . 16478 1 559 . 1 1 46 46 LYS C C 13 178.762 0.017 . 1 . . . . 46 K C . 16478 1 560 . 1 1 46 46 LYS CA C 13 59.357 0.027 . 1 . . . . 46 K CA . 16478 1 561 . 1 1 46 46 LYS CB C 13 32.823 0.001 . 1 . . . . 46 K CB . 16478 1 562 . 1 1 46 46 LYS CD C 13 29.473 0.300 . 1 . . . . 46 K CD . 16478 1 563 . 1 1 46 46 LYS CE C 13 41.977 0.300 . 1 . . . . 46 K CE . 16478 1 564 . 1 1 46 46 LYS CG C 13 24.610 0.300 . 1 . . . . 46 K CG . 16478 1 565 . 1 1 46 46 LYS N N 15 116.610 0.008 . 1 . . . . 46 K N . 16478 1 566 . 1 1 47 47 ILE H H 1 7.768 0.002 . 1 . . . . 47 I H . 16478 1 567 . 1 1 47 47 ILE HA H 1 4.190 0.002 . 1 . . . . 47 I HA . 16478 1 568 . 1 1 47 47 ILE HB H 1 1.885 0.001 . 1 . . . . 47 I HB . 16478 1 569 . 1 1 47 47 ILE HD11 H 1 0.752 0.003 . 1 . . . . 47 I QD1 . 16478 1 570 . 1 1 47 47 ILE HD12 H 1 0.752 0.003 . 1 . . . . 47 I QD1 . 16478 1 571 . 1 1 47 47 ILE HD13 H 1 0.752 0.003 . 1 . . . . 47 I QD1 . 16478 1 572 . 1 1 47 47 ILE HG12 H 1 1.584 0.004 . 2 . . . . 47 I QG1 . 16478 1 573 . 1 1 47 47 ILE HG13 H 1 1.584 0.004 . 2 . . . . 47 I QG1 . 16478 1 574 . 1 1 47 47 ILE HG21 H 1 1.027 0.001 . 1 . . . . 47 I QG2 . 16478 1 575 . 1 1 47 47 ILE HG22 H 1 1.027 0.001 . 1 . . . . 47 I QG2 . 16478 1 576 . 1 1 47 47 ILE HG23 H 1 1.027 0.001 . 1 . . . . 47 I QG2 . 16478 1 577 . 1 1 47 47 ILE C C 13 178.997 0.042 . 1 . . . . 47 I C . 16478 1 578 . 1 1 47 47 ILE CA C 13 64.327 0.017 . 1 . . . . 47 I CA . 16478 1 579 . 1 1 47 47 ILE CB C 13 38.284 0.054 . 1 . . . . 47 I CB . 16478 1 580 . 1 1 47 47 ILE CD1 C 13 14.394 0.019 . 1 . . . . 47 I CD1 . 16478 1 581 . 1 1 47 47 ILE CG1 C 13 30.634 0.042 . 1 . . . . 47 I CG1 . 16478 1 582 . 1 1 47 47 ILE CG2 C 13 18.498 0.008 . 1 . . . . 47 I CG2 . 16478 1 583 . 1 1 47 47 ILE N N 15 119.478 0.003 . 1 . . . . 47 I N . 16478 1 584 . 1 1 48 48 MET H H 1 8.466 0.002 . 1 . . . . 48 M H . 16478 1 585 . 1 1 48 48 MET HA H 1 4.266 0.002 . 1 . . . . 48 M HA . 16478 1 586 . 1 1 48 48 MET HB2 H 1 2.015 0.005 . 2 . . . . 48 M HB2 . 16478 1 587 . 1 1 48 48 MET HB3 H 1 2.145 0.006 . 2 . . . . 48 M HB3 . 16478 1 588 . 1 1 48 48 MET HE1 H 1 1.947 0.030 . 1 . . . . 48 M QE . 16478 1 589 . 1 1 48 48 MET HE2 H 1 1.947 0.030 . 1 . . . . 48 M QE . 16478 1 590 . 1 1 48 48 MET HE3 H 1 1.947 0.030 . 1 . . . . 48 M QE . 16478 1 591 . 1 1 48 48 MET HG2 H 1 2.775 0.009 . 2 . . . . 48 M HG2 . 16478 1 592 . 1 1 48 48 MET HG3 H 1 3.192 0.004 . 2 . . . . 48 M HG3 . 16478 1 593 . 1 1 48 48 MET C C 13 177.706 0.031 . 1 . . . . 48 M C . 16478 1 594 . 1 1 48 48 MET CA C 13 61.155 0.009 . 1 . . . . 48 M CA . 16478 1 595 . 1 1 48 48 MET CB C 13 33.023 0.006 . 1 . . . . 48 M CB . 16478 1 596 . 1 1 48 48 MET CE C 13 18.732 0.300 . 1 . . . . 48 M CE . 16478 1 597 . 1 1 48 48 MET CG C 13 34.736 0.121 . 1 . . . . 48 M CG . 16478 1 598 . 1 1 48 48 MET N N 15 122.638 0.012 . 1 . . . . 48 M N . 16478 1 599 . 1 1 49 49 GLU H H 1 8.464 0.002 . 1 . . . . 49 E H . 16478 1 600 . 1 1 49 49 GLU HA H 1 3.835 0.002 . 1 . . . . 49 E HA . 16478 1 601 . 1 1 49 49 GLU HB2 H 1 1.946 0.030 . 2 . . . . 49 E HB2 . 16478 1 602 . 1 1 49 49 GLU HB3 H 1 2.005 0.030 . 2 . . . . 49 E HB3 . 16478 1 603 . 1 1 49 49 GLU HG2 H 1 2.181 0.004 . 2 . . . . 49 E HG2 . 16478 1 604 . 1 1 49 49 GLU HG3 H 1 2.531 0.002 . 2 . . . . 49 E HG3 . 16478 1 605 . 1 1 49 49 GLU C C 13 179.881 0.031 . 1 . . . . 49 E C . 16478 1 606 . 1 1 49 49 GLU CA C 13 60.239 0.006 . 1 . . . . 49 E CA . 16478 1 607 . 1 1 49 49 GLU CB C 13 29.215 0.300 . 1 . . . . 49 E CB . 16478 1 608 . 1 1 49 49 GLU CG C 13 37.482 0.034 . 1 . . . . 49 E CG . 16478 1 609 . 1 1 49 49 GLU N N 15 118.310 0.024 . 1 . . . . 49 E N . 16478 1 610 . 1 1 50 50 GLU H H 1 7.985 0.002 . 1 . . . . 50 E H . 16478 1 611 . 1 1 50 50 GLU HA H 1 4.031 0.007 . 1 . . . . 50 E HA . 16478 1 612 . 1 1 50 50 GLU HB2 H 1 2.017 0.030 . 2 . . . . 50 E QB . 16478 1 613 . 1 1 50 50 GLU HB3 H 1 2.017 0.030 . 2 . . . . 50 E QB . 16478 1 614 . 1 1 50 50 GLU HG2 H 1 2.246 0.003 . 2 . . . . 50 E HG2 . 16478 1 615 . 1 1 50 50 GLU HG3 H 1 2.467 0.004 . 2 . . . . 50 E HG3 . 16478 1 616 . 1 1 50 50 GLU C C 13 177.870 0.045 . 1 . . . . 50 E C . 16478 1 617 . 1 1 50 50 GLU CA C 13 59.537 0.002 . 1 . . . . 50 E CA . 16478 1 618 . 1 1 50 50 GLU CB C 13 29.335 0.300 . 1 . . . . 50 E CB . 16478 1 619 . 1 1 50 50 GLU CG C 13 36.637 0.068 . 1 . . . . 50 E CG . 16478 1 620 . 1 1 50 50 GLU N N 15 119.577 0.011 . 1 . . . . 50 E N . 16478 1 621 . 1 1 51 51 LYS H H 1 8.069 0.002 . 1 . . . . 51 K H . 16478 1 622 . 1 1 51 51 LYS HA H 1 4.041 0.005 . 1 . . . . 51 K HA . 16478 1 623 . 1 1 51 51 LYS HB2 H 1 1.877 0.001 . 2 . . . . 51 K HB2 . 16478 1 624 . 1 1 51 51 LYS HB3 H 1 2.014 0.001 . 2 . . . . 51 K HB3 . 16478 1 625 . 1 1 51 51 LYS HD2 H 1 1.025 0.004 . 2 . . . . 51 K HD2 . 16478 1 626 . 1 1 51 51 LYS HD3 H 1 1.287 0.002 . 2 . . . . 51 K HD3 . 16478 1 627 . 1 1 51 51 LYS HE2 H 1 2.312 0.002 . 2 . . . . 51 K HE2 . 16478 1 628 . 1 1 51 51 LYS HE3 H 1 2.367 0.001 . 2 . . . . 51 K HE3 . 16478 1 629 . 1 1 51 51 LYS HG2 H 1 0.311 0.006 . 2 . . . . 51 K HG2 . 16478 1 630 . 1 1 51 51 LYS HG3 H 1 1.373 0.002 . 2 . . . . 51 K HG3 . 16478 1 631 . 1 1 51 51 LYS C C 13 180.630 0.017 . 1 . . . . 51 K C . 16478 1 632 . 1 1 51 51 LYS CA C 13 58.240 0.006 . 1 . . . . 51 K CA . 16478 1 633 . 1 1 51 51 LYS CB C 13 32.209 0.002 . 1 . . . . 51 K CB . 16478 1 634 . 1 1 51 51 LYS CD C 13 27.539 0.016 . 1 . . . . 51 K CD . 16478 1 635 . 1 1 51 51 LYS CE C 13 41.977 0.045 . 1 . . . . 51 K CE . 16478 1 636 . 1 1 51 51 LYS CG C 13 22.892 0.047 . 1 . . . . 51 K CG . 16478 1 637 . 1 1 51 51 LYS N N 15 121.567 0.051 . 1 . . . . 51 K N . 16478 1 638 . 1 1 52 52 ILE H H 1 8.431 0.002 . 1 . . . . 52 I H . 16478 1 639 . 1 1 52 52 ILE HA H 1 3.390 0.002 . 1 . . . . 52 I HA . 16478 1 640 . 1 1 52 52 ILE HB H 1 1.665 0.003 . 1 . . . . 52 I HB . 16478 1 641 . 1 1 52 52 ILE HD11 H 1 0.732 0.003 . 1 . . . . 52 I QD1 . 16478 1 642 . 1 1 52 52 ILE HD12 H 1 0.732 0.003 . 1 . . . . 52 I QD1 . 16478 1 643 . 1 1 52 52 ILE HD13 H 1 0.732 0.003 . 1 . . . . 52 I QD1 . 16478 1 644 . 1 1 52 52 ILE HG12 H 1 0.546 0.003 . 2 . . . . 52 I HG12 . 16478 1 645 . 1 1 52 52 ILE HG13 H 1 1.581 0.006 . 2 . . . . 52 I HG13 . 16478 1 646 . 1 1 52 52 ILE HG21 H 1 0.715 0.005 . 1 . . . . 52 I QG2 . 16478 1 647 . 1 1 52 52 ILE HG22 H 1 0.715 0.005 . 1 . . . . 52 I QG2 . 16478 1 648 . 1 1 52 52 ILE HG23 H 1 0.715 0.005 . 1 . . . . 52 I QG2 . 16478 1 649 . 1 1 52 52 ILE C C 13 179.235 0.038 . 1 . . . . 52 I C . 16478 1 650 . 1 1 52 52 ILE CA C 13 65.051 0.024 . 1 . . . . 52 I CA . 16478 1 651 . 1 1 52 52 ILE CB C 13 38.597 0.023 . 1 . . . . 52 I CB . 16478 1 652 . 1 1 52 52 ILE CD1 C 13 14.205 0.013 . 1 . . . . 52 I CD1 . 16478 1 653 . 1 1 52 52 ILE CG1 C 13 29.339 0.045 . 1 . . . . 52 I CG1 . 16478 1 654 . 1 1 52 52 ILE CG2 C 13 17.471 0.017 . 1 . . . . 52 I CG2 . 16478 1 655 . 1 1 52 52 ILE N N 15 122.451 0.028 . 1 . . . . 52 I N . 16478 1 656 . 1 1 53 53 GLN H H 1 8.029 0.002 . 1 . . . . 53 Q H . 16478 1 657 . 1 1 53 53 GLN HA H 1 3.953 0.006 . 1 . . . . 53 Q HA . 16478 1 658 . 1 1 53 53 GLN HB2 H 1 2.217 0.012 . 2 . . . . 53 Q QB . 16478 1 659 . 1 1 53 53 GLN HB3 H 1 2.217 0.012 . 2 . . . . 53 Q QB . 16478 1 660 . 1 1 53 53 GLN HE21 H 1 6.815 0.030 . 2 . . . . 53 Q HE21 . 16478 1 661 . 1 1 53 53 GLN HE22 H 1 7.450 0.030 . 2 . . . . 53 Q HE22 . 16478 1 662 . 1 1 53 53 GLN HG2 H 1 2.429 0.009 . 2 . . . . 53 Q QG . 16478 1 663 . 1 1 53 53 GLN HG3 H 1 2.429 0.009 . 2 . . . . 53 Q QG . 16478 1 664 . 1 1 53 53 GLN C C 13 178.010 0.026 . 1 . . . . 53 Q C . 16478 1 665 . 1 1 53 53 GLN CA C 13 59.177 0.025 . 1 . . . . 53 Q CA . 16478 1 666 . 1 1 53 53 GLN CB C 13 28.563 0.066 . 1 . . . . 53 Q CB . 16478 1 667 . 1 1 53 53 GLN CG C 13 33.802 0.001 . 1 . . . . 53 Q CG . 16478 1 668 . 1 1 53 53 GLN N N 15 120.692 0.043 . 1 . . . . 53 Q N . 16478 1 669 . 1 1 53 53 GLN NE2 N 15 111.699 0.002 . 1 . . . . 53 Q NE2 . 16478 1 670 . 1 1 54 54 ILE H H 1 8.208 0.003 . 1 . . . . 54 I H . 16478 1 671 . 1 1 54 54 ILE HA H 1 4.034 0.002 . 1 . . . . 54 I HA . 16478 1 672 . 1 1 54 54 ILE HB H 1 1.900 0.001 . 1 . . . . 54 I HB . 16478 1 673 . 1 1 54 54 ILE HD11 H 1 0.828 0.001 . 1 . . . . 54 I QD1 . 16478 1 674 . 1 1 54 54 ILE HD12 H 1 0.828 0.001 . 1 . . . . 54 I QD1 . 16478 1 675 . 1 1 54 54 ILE HD13 H 1 0.828 0.001 . 1 . . . . 54 I QD1 . 16478 1 676 . 1 1 54 54 ILE HG12 H 1 1.316 0.004 . 2 . . . . 54 I HG12 . 16478 1 677 . 1 1 54 54 ILE HG13 H 1 1.605 0.003 . 2 . . . . 54 I HG13 . 16478 1 678 . 1 1 54 54 ILE HG21 H 1 0.924 0.002 . 1 . . . . 54 I QG2 . 16478 1 679 . 1 1 54 54 ILE HG22 H 1 0.924 0.002 . 1 . . . . 54 I QG2 . 16478 1 680 . 1 1 54 54 ILE HG23 H 1 0.924 0.002 . 1 . . . . 54 I QG2 . 16478 1 681 . 1 1 54 54 ILE C C 13 177.737 0.026 . 1 . . . . 54 I C . 16478 1 682 . 1 1 54 54 ILE CA C 13 63.052 0.027 . 1 . . . . 54 I CA . 16478 1 683 . 1 1 54 54 ILE CB C 13 38.813 0.003 . 1 . . . . 54 I CB . 16478 1 684 . 1 1 54 54 ILE CD1 C 13 13.000 0.006 . 1 . . . . 54 I CD1 . 16478 1 685 . 1 1 54 54 ILE CG1 C 13 28.474 0.073 . 1 . . . . 54 I CG1 . 16478 1 686 . 1 1 54 54 ILE CG2 C 13 17.375 0.010 . 1 . . . . 54 I CG2 . 16478 1 687 . 1 1 54 54 ILE N N 15 115.889 0.011 . 1 . . . . 54 I N . 16478 1 688 . 1 1 55 55 SER H H 1 8.499 0.001 . 1 . . . . 55 S H . 16478 1 689 . 1 1 55 55 SER HA H 1 4.731 0.002 . 1 . . . . 55 S HA . 16478 1 690 . 1 1 55 55 SER HB2 H 1 3.879 0.005 . 2 . . . . 55 S HB2 . 16478 1 691 . 1 1 55 55 SER HB3 H 1 3.987 0.008 . 2 . . . . 55 S HB3 . 16478 1 692 . 1 1 55 55 SER C C 13 175.645 0.019 . 1 . . . . 55 S C . 16478 1 693 . 1 1 55 55 SER CA C 13 59.243 0.032 . 1 . . . . 55 S CA . 16478 1 694 . 1 1 55 55 SER CB C 13 66.921 0.038 . 1 . . . . 55 S CB . 16478 1 695 . 1 1 55 55 SER N N 15 114.588 0.008 . 1 . . . . 55 S N . 16478 1 696 . 1 1 56 56 GLY H H 1 8.294 0.002 . 1 . . . . 56 G H . 16478 1 697 . 1 1 56 56 GLY HA2 H 1 3.801 0.001 . 2 . . . . 56 G HA2 . 16478 1 698 . 1 1 56 56 GLY HA3 H 1 4.358 0.001 . 2 . . . . 56 G HA3 . 16478 1 699 . 1 1 56 56 GLY C C 13 173.236 0.027 . 1 . . . . 56 G C . 16478 1 700 . 1 1 56 56 GLY CA C 13 45.741 0.027 . 1 . . . . 56 G CA . 16478 1 701 . 1 1 56 56 GLY N N 15 113.509 0.015 . 1 . . . . 56 G N . 16478 1 702 . 1 1 57 57 SER H H 1 7.787 0.003 . 1 . . . . 57 S H . 16478 1 703 . 1 1 57 57 SER HA H 1 4.592 0.001 . 1 . . . . 57 S HA . 16478 1 704 . 1 1 57 57 SER HB2 H 1 3.642 0.030 . 2 . . . . 57 S HB2 . 16478 1 705 . 1 1 57 57 SER HB3 H 1 3.730 0.030 . 2 . . . . 57 S HB3 . 16478 1 706 . 1 1 57 57 SER C C 13 171.098 0.026 . 1 . . . . 57 S C . 16478 1 707 . 1 1 57 57 SER CA C 13 56.926 0.006 . 1 . . . . 57 S CA . 16478 1 708 . 1 1 57 57 SER CB C 13 65.622 0.002 . 1 . . . . 57 S CB . 16478 1 709 . 1 1 57 57 SER N N 15 113.719 0.004 . 1 . . . . 57 S N . 16478 1 710 . 1 1 58 58 ASN H H 1 8.314 0.003 . 1 . . . . 58 N H . 16478 1 711 . 1 1 58 58 ASN HA H 1 4.535 0.001 . 1 . . . . 58 N HA . 16478 1 712 . 1 1 58 58 ASN HB2 H 1 2.618 0.005 . 2 . . . . 58 N HB2 . 16478 1 713 . 1 1 58 58 ASN HB3 H 1 2.917 0.006 . 2 . . . . 58 N HB3 . 16478 1 714 . 1 1 58 58 ASN HD21 H 1 7.825 0.001 . 2 . . . . 58 N HD21 . 16478 1 715 . 1 1 58 58 ASN HD22 H 1 6.953 0.002 . 2 . . . . 58 N HD22 . 16478 1 716 . 1 1 58 58 ASN C C 13 176.240 0.038 . 1 . . . . 58 N C . 16478 1 717 . 1 1 58 58 ASN CA C 13 50.701 0.013 . 1 . . . . 58 N CA . 16478 1 718 . 1 1 58 58 ASN CB C 13 39.098 0.037 . 1 . . . . 58 N CB . 16478 1 719 . 1 1 58 58 ASN N N 15 118.202 0.082 . 1 . . . . 58 N N . 16478 1 720 . 1 1 58 58 ASN ND2 N 15 108.917 0.001 . 1 . . . . 58 N ND2 . 16478 1 721 . 1 1 59 59 TYR H H 1 9.371 0.030 . 1 . . . . 59 Y H . 16478 1 722 . 1 1 59 59 TYR HA H 1 3.979 0.002 . 1 . . . . 59 Y HA . 16478 1 723 . 1 1 59 59 TYR HB2 H 1 2.471 0.003 . 2 . . . . 59 Y HB2 . 16478 1 724 . 1 1 59 59 TYR HB3 H 1 2.823 0.001 . 2 . . . . 59 Y HB3 . 16478 1 725 . 1 1 59 59 TYR HD1 H 1 7.251 0.030 . 3 . . . . 59 Y HD1 . 16478 1 726 . 1 1 59 59 TYR HD2 H 1 7.251 0.030 . 3 . . . . 59 Y HD2 . 16478 1 727 . 1 1 59 59 TYR HE1 H 1 6.793 0.030 . 3 . . . . 59 Y HE1 . 16478 1 728 . 1 1 59 59 TYR HE2 H 1 6.793 0.030 . 3 . . . . 59 Y HE2 . 16478 1 729 . 1 1 59 59 TYR C C 13 176.249 0.034 . 1 . . . . 59 Y C . 16478 1 730 . 1 1 59 59 TYR CA C 13 60.847 0.007 . 1 . . . . 59 Y CA . 16478 1 731 . 1 1 59 59 TYR CB C 13 40.641 0.014 . 1 . . . . 59 Y CB . 16478 1 732 . 1 1 59 59 TYR CE1 C 13 118.425 0.300 . 3 . . . . 59 Y CE1 . 16478 1 733 . 1 1 59 59 TYR CE2 C 13 118.425 0.300 . 3 . . . . 59 Y CE2 . 16478 1 734 . 1 1 59 59 TYR N N 15 119.946 0.002 . 1 . . . . 59 Y N . 16478 1 735 . 1 1 60 60 LYS H H 1 9.198 0.002 . 1 . . . . 60 K H . 16478 1 736 . 1 1 60 60 LYS HA H 1 4.382 0.004 . 1 . . . . 60 K HA . 16478 1 737 . 1 1 60 60 LYS HB2 H 1 1.773 0.001 . 2 . . . . 60 K HB2 . 16478 1 738 . 1 1 60 60 LYS HB3 H 1 1.945 0.007 . 2 . . . . 60 K HB3 . 16478 1 739 . 1 1 60 60 LYS HD2 H 1 1.664 0.030 . 2 . . . . 60 K QD . 16478 1 740 . 1 1 60 60 LYS HD3 H 1 1.664 0.030 . 2 . . . . 60 K QD . 16478 1 741 . 1 1 60 60 LYS HE2 H 1 2.979 0.030 . 2 . . . . 60 K QE . 16478 1 742 . 1 1 60 60 LYS HE3 H 1 2.979 0.030 . 2 . . . . 60 K QE . 16478 1 743 . 1 1 60 60 LYS HG2 H 1 1.461 0.005 . 2 . . . . 60 K QG . 16478 1 744 . 1 1 60 60 LYS HG3 H 1 1.461 0.005 . 2 . . . . 60 K QG . 16478 1 745 . 1 1 60 60 LYS C C 13 176.274 0.037 . 1 . . . . 60 K C . 16478 1 746 . 1 1 60 60 LYS CA C 13 55.944 0.300 . 1 . . . . 60 K CA . 16478 1 747 . 1 1 60 60 LYS CB C 13 34.029 0.045 . 1 . . . . 60 K CB . 16478 1 748 . 1 1 60 60 LYS CD C 13 28.648 0.003 . 1 . . . . 60 K CD . 16478 1 749 . 1 1 60 60 LYS CE C 13 42.007 0.003 . 1 . . . . 60 K CE . 16478 1 750 . 1 1 60 60 LYS CG C 13 24.832 0.300 . 1 . . . . 60 K CG . 16478 1 751 . 1 1 60 60 LYS N N 15 119.507 0.011 . 1 . . . . 60 K N . 16478 1 752 . 1 1 61 61 SER H H 1 7.433 0.002 . 1 . . . . 61 S H . 16478 1 753 . 1 1 61 61 SER HA H 1 4.784 0.002 . 1 . . . . 61 S HA . 16478 1 754 . 1 1 61 61 SER HB2 H 1 3.855 0.003 . 2 . . . . 61 S HB2 . 16478 1 755 . 1 1 61 61 SER HB3 H 1 4.000 0.004 . 2 . . . . 61 S HB3 . 16478 1 756 . 1 1 61 61 SER C C 13 174.030 0.023 . 1 . . . . 61 S C . 16478 1 757 . 1 1 61 61 SER CA C 13 56.004 0.052 . 1 . . . . 61 S CA . 16478 1 758 . 1 1 61 61 SER CB C 13 65.031 0.142 . 1 . . . . 61 S CB . 16478 1 759 . 1 1 61 61 SER N N 15 112.753 0.027 . 1 . . . . 61 S N . 16478 1 760 . 1 1 62 62 LEU H H 1 9.080 0.001 . 1 . . . . 62 L H . 16478 1 761 . 1 1 62 62 LEU HA H 1 3.992 0.003 . 1 . . . . 62 L HA . 16478 1 762 . 1 1 62 62 LEU HB2 H 1 1.570 0.030 . 2 . . . . 62 L HB2 . 16478 1 763 . 1 1 62 62 LEU HB3 H 1 1.776 0.004 . 2 . . . . 62 L HB3 . 16478 1 764 . 1 1 62 62 LEU HD11 H 1 0.896 0.030 . 2 . . . . 62 L QD1 . 16478 1 765 . 1 1 62 62 LEU HD12 H 1 0.896 0.030 . 2 . . . . 62 L QD1 . 16478 1 766 . 1 1 62 62 LEU HD13 H 1 0.896 0.030 . 2 . . . . 62 L QD1 . 16478 1 767 . 1 1 62 62 LEU HD21 H 1 0.927 0.006 . 2 . . . . 62 L QD2 . 16478 1 768 . 1 1 62 62 LEU HD22 H 1 0.927 0.006 . 2 . . . . 62 L QD2 . 16478 1 769 . 1 1 62 62 LEU HD23 H 1 0.927 0.006 . 2 . . . . 62 L QD2 . 16478 1 770 . 1 1 62 62 LEU HG H 1 1.544 0.001 . 1 . . . . 62 L HG . 16478 1 771 . 1 1 62 62 LEU C C 13 177.266 0.022 . 1 . . . . 62 L C . 16478 1 772 . 1 1 62 62 LEU CA C 13 57.642 0.016 . 1 . . . . 62 L CA . 16478 1 773 . 1 1 62 62 LEU CB C 13 42.277 0.016 . 1 . . . . 62 L CB . 16478 1 774 . 1 1 62 62 LEU CD1 C 13 23.963 0.002 . 2 . . . . 62 L CD1 . 16478 1 775 . 1 1 62 62 LEU CD2 C 13 26.342 0.018 . 2 . . . . 62 L CD2 . 16478 1 776 . 1 1 62 62 LEU CG C 13 26.863 0.001 . 1 . . . . 62 L CG . 16478 1 777 . 1 1 62 62 LEU N N 15 128.464 0.013 . 1 . . . . 62 L N . 16478 1 778 . 1 1 63 63 GLU H H 1 8.709 0.002 . 1 . . . . 63 E H . 16478 1 779 . 1 1 63 63 GLU HA H 1 3.830 0.002 . 1 . . . . 63 E HA . 16478 1 780 . 1 1 63 63 GLU HB2 H 1 1.983 0.030 . 2 . . . . 63 E QB . 16478 1 781 . 1 1 63 63 GLU HB3 H 1 1.983 0.030 . 2 . . . . 63 E QB . 16478 1 782 . 1 1 63 63 GLU HG2 H 1 2.253 0.001 . 2 . . . . 63 E HG2 . 16478 1 783 . 1 1 63 63 GLU HG3 H 1 2.341 0.005 . 2 . . . . 63 E HG3 . 16478 1 784 . 1 1 63 63 GLU C C 13 179.187 0.024 . 1 . . . . 63 E C . 16478 1 785 . 1 1 63 63 GLU CA C 13 60.281 0.026 . 1 . . . . 63 E CA . 16478 1 786 . 1 1 63 63 GLU CB C 13 29.002 0.001 . 1 . . . . 63 E CB . 16478 1 787 . 1 1 63 63 GLU CG C 13 36.919 0.009 . 1 . . . . 63 E CG . 16478 1 788 . 1 1 63 63 GLU N N 15 116.160 0.008 . 1 . . . . 63 E N . 16478 1 789 . 1 1 64 64 VAL H H 1 7.150 0.002 . 1 . . . . 64 V H . 16478 1 790 . 1 1 64 64 VAL HA H 1 3.761 0.001 . 1 . . . . 64 V HA . 16478 1 791 . 1 1 64 64 VAL HB H 1 2.273 0.004 . 1 . . . . 64 V HB . 16478 1 792 . 1 1 64 64 VAL HG11 H 1 1.098 0.007 . 2 . . . . 64 V QG1 . 16478 1 793 . 1 1 64 64 VAL HG12 H 1 1.098 0.007 . 2 . . . . 64 V QG1 . 16478 1 794 . 1 1 64 64 VAL HG13 H 1 1.098 0.007 . 2 . . . . 64 V QG1 . 16478 1 795 . 1 1 64 64 VAL HG21 H 1 1.187 0.004 . 2 . . . . 64 V QG2 . 16478 1 796 . 1 1 64 64 VAL HG22 H 1 1.187 0.004 . 2 . . . . 64 V QG2 . 16478 1 797 . 1 1 64 64 VAL HG23 H 1 1.187 0.004 . 2 . . . . 64 V QG2 . 16478 1 798 . 1 1 64 64 VAL C C 13 176.810 0.031 . 1 . . . . 64 V C . 16478 1 799 . 1 1 64 64 VAL CA C 13 65.569 0.015 . 1 . . . . 64 V CA . 16478 1 800 . 1 1 64 64 VAL CB C 13 32.102 0.015 . 1 . . . . 64 V CB . 16478 1 801 . 1 1 64 64 VAL CG1 C 13 22.343 0.007 . 2 . . . . 64 V CG1 . 16478 1 802 . 1 1 64 64 VAL CG2 C 13 22.001 0.003 . 2 . . . . 64 V CG2 . 16478 1 803 . 1 1 64 64 VAL N N 15 119.872 0.006 . 1 . . . . 64 V N . 16478 1 804 . 1 1 65 65 LEU H H 1 7.067 0.003 . 1 . . . . 65 L H . 16478 1 805 . 1 1 65 65 LEU HA H 1 3.006 0.002 . 1 . . . . 65 L HA . 16478 1 806 . 1 1 65 65 LEU HB2 H 1 0.716 0.002 . 2 . . . . 65 L HB2 . 16478 1 807 . 1 1 65 65 LEU HB3 H 1 1.793 0.004 . 2 . . . . 65 L HB3 . 16478 1 808 . 1 1 65 65 LEU HD11 H 1 0.233 0.003 . 2 . . . . 65 L QD1 . 16478 1 809 . 1 1 65 65 LEU HD12 H 1 0.233 0.003 . 2 . . . . 65 L QD1 . 16478 1 810 . 1 1 65 65 LEU HD13 H 1 0.233 0.003 . 2 . . . . 65 L QD1 . 16478 1 811 . 1 1 65 65 LEU HD21 H 1 0.502 0.002 . 2 . . . . 65 L QD2 . 16478 1 812 . 1 1 65 65 LEU HD22 H 1 0.502 0.002 . 2 . . . . 65 L QD2 . 16478 1 813 . 1 1 65 65 LEU HD23 H 1 0.502 0.002 . 2 . . . . 65 L QD2 . 16478 1 814 . 1 1 65 65 LEU HG H 1 1.003 0.006 . 1 . . . . 65 L HG . 16478 1 815 . 1 1 65 65 LEU C C 13 177.819 0.031 . 1 . . . . 65 L C . 16478 1 816 . 1 1 65 65 LEU CA C 13 58.446 0.018 . 1 . . . . 65 L CA . 16478 1 817 . 1 1 65 65 LEU CB C 13 41.082 0.054 . 1 . . . . 65 L CB . 16478 1 818 . 1 1 65 65 LEU CD1 C 13 23.906 0.013 . 2 . . . . 65 L CD1 . 16478 1 819 . 1 1 65 65 LEU CD2 C 13 26.633 0.024 . 2 . . . . 65 L CD2 . 16478 1 820 . 1 1 65 65 LEU CG C 13 26.996 0.026 . 1 . . . . 65 L CG . 16478 1 821 . 1 1 65 65 LEU N N 15 121.773 0.012 . 1 . . . . 65 L N . 16478 1 822 . 1 1 66 66 VAL H H 1 8.548 0.002 . 1 . . . . 66 V H . 16478 1 823 . 1 1 66 66 VAL HA H 1 3.057 0.001 . 1 . . . . 66 V HA . 16478 1 824 . 1 1 66 66 VAL HB H 1 1.932 0.001 . 1 . . . . 66 V HB . 16478 1 825 . 1 1 66 66 VAL HG11 H 1 0.903 0.002 . 2 . . . . 66 V QG1 . 16478 1 826 . 1 1 66 66 VAL HG12 H 1 0.903 0.002 . 2 . . . . 66 V QG1 . 16478 1 827 . 1 1 66 66 VAL HG13 H 1 0.903 0.002 . 2 . . . . 66 V QG1 . 16478 1 828 . 1 1 66 66 VAL HG21 H 1 0.937 0.002 . 2 . . . . 66 V QG2 . 16478 1 829 . 1 1 66 66 VAL HG22 H 1 0.937 0.002 . 2 . . . . 66 V QG2 . 16478 1 830 . 1 1 66 66 VAL HG23 H 1 0.937 0.002 . 2 . . . . 66 V QG2 . 16478 1 831 . 1 1 66 66 VAL C C 13 177.035 0.029 . 1 . . . . 66 V C . 16478 1 832 . 1 1 66 66 VAL CA C 13 66.710 0.009 . 1 . . . . 66 V CA . 16478 1 833 . 1 1 66 66 VAL CB C 13 31.692 0.009 . 1 . . . . 66 V CB . 16478 1 834 . 1 1 66 66 VAL CG1 C 13 23.548 0.021 . 2 . . . . 66 V CG1 . 16478 1 835 . 1 1 66 66 VAL CG2 C 13 21.396 0.020 . 2 . . . . 66 V CG2 . 16478 1 836 . 1 1 66 66 VAL N N 15 116.430 0.008 . 1 . . . . 66 V N . 16478 1 837 . 1 1 67 67 ALA H H 1 7.518 0.003 . 1 . . . . 67 A H . 16478 1 838 . 1 1 67 67 ALA HA H 1 4.031 0.002 . 1 . . . . 67 A HA . 16478 1 839 . 1 1 67 67 ALA HB1 H 1 1.479 0.030 . 1 . . . . 67 A QB . 16478 1 840 . 1 1 67 67 ALA HB2 H 1 1.479 0.030 . 1 . . . . 67 A QB . 16478 1 841 . 1 1 67 67 ALA HB3 H 1 1.479 0.030 . 1 . . . . 67 A QB . 16478 1 842 . 1 1 67 67 ALA C C 13 180.651 0.026 . 1 . . . . 67 A C . 16478 1 843 . 1 1 67 67 ALA CA C 13 55.272 0.002 . 1 . . . . 67 A CA . 16478 1 844 . 1 1 67 67 ALA CB C 13 17.661 0.002 . 1 . . . . 67 A CB . 16478 1 845 . 1 1 67 67 ALA N N 15 120.833 0.016 . 1 . . . . 67 A N . 16478 1 846 . 1 1 68 68 ASP H H 1 7.885 0.002 . 1 . . . . 68 D H . 16478 1 847 . 1 1 68 68 ASP HA H 1 4.463 0.030 . 1 . . . . 68 D HA . 16478 1 848 . 1 1 68 68 ASP HB2 H 1 2.623 0.030 . 2 . . . . 68 D HB2 . 16478 1 849 . 1 1 68 68 ASP HB3 H 1 2.827 0.030 . 2 . . . . 68 D HB3 . 16478 1 850 . 1 1 68 68 ASP C C 13 179.698 0.037 . 1 . . . . 68 D C . 16478 1 851 . 1 1 68 68 ASP CA C 13 56.944 0.300 . 1 . . . . 68 D CA . 16478 1 852 . 1 1 68 68 ASP CB C 13 38.918 0.008 . 1 . . . . 68 D CB . 16478 1 853 . 1 1 68 68 ASP N N 15 119.003 0.011 . 1 . . . . 68 D N . 16478 1 854 . 1 1 69 69 LEU H H 1 8.331 0.003 . 1 . . . . 69 L H . 16478 1 855 . 1 1 69 69 LEU HA H 1 3.768 0.002 . 1 . . . . 69 L HA . 16478 1 856 . 1 1 69 69 LEU HB2 H 1 0.734 0.003 . 2 . . . . 69 L HB2 . 16478 1 857 . 1 1 69 69 LEU HB3 H 1 1.337 0.005 . 2 . . . . 69 L HB3 . 16478 1 858 . 1 1 69 69 LEU HD11 H 1 0.039 0.002 . 2 . . . . 69 L QD1 . 16478 1 859 . 1 1 69 69 LEU HD12 H 1 0.039 0.002 . 2 . . . . 69 L QD1 . 16478 1 860 . 1 1 69 69 LEU HD13 H 1 0.039 0.002 . 2 . . . . 69 L QD1 . 16478 1 861 . 1 1 69 69 LEU HD21 H 1 0.532 0.003 . 2 . . . . 69 L QD2 . 16478 1 862 . 1 1 69 69 LEU HD22 H 1 0.532 0.003 . 2 . . . . 69 L QD2 . 16478 1 863 . 1 1 69 69 LEU HD23 H 1 0.532 0.003 . 2 . . . . 69 L QD2 . 16478 1 864 . 1 1 69 69 LEU HG H 1 1.327 0.001 . 1 . . . . 69 L HG . 16478 1 865 . 1 1 69 69 LEU C C 13 179.683 0.032 . 1 . . . . 69 L C . 16478 1 866 . 1 1 69 69 LEU CA C 13 58.273 0.009 . 1 . . . . 69 L CA . 16478 1 867 . 1 1 69 69 LEU CB C 13 41.627 0.042 . 1 . . . . 69 L CB . 16478 1 868 . 1 1 69 69 LEU CD1 C 13 25.663 0.003 . 2 . . . . 69 L CD1 . 16478 1 869 . 1 1 69 69 LEU CD2 C 13 23.684 0.027 . 2 . . . . 69 L CD2 . 16478 1 870 . 1 1 69 69 LEU CG C 13 26.626 0.040 . 1 . . . . 69 L CG . 16478 1 871 . 1 1 69 69 LEU N N 15 124.605 0.037 . 1 . . . . 69 L N . 16478 1 872 . 1 1 70 70 VAL H H 1 8.607 0.002 . 1 . . . . 70 V H . 16478 1 873 . 1 1 70 70 VAL HA H 1 3.770 0.002 . 1 . . . . 70 V HA . 16478 1 874 . 1 1 70 70 VAL HB H 1 2.180 0.010 . 1 . . . . 70 V HB . 16478 1 875 . 1 1 70 70 VAL HG11 H 1 0.992 0.002 . 2 . . . . 70 V QG1 . 16478 1 876 . 1 1 70 70 VAL HG12 H 1 0.992 0.002 . 2 . . . . 70 V QG1 . 16478 1 877 . 1 1 70 70 VAL HG13 H 1 0.992 0.002 . 2 . . . . 70 V QG1 . 16478 1 878 . 1 1 70 70 VAL HG21 H 1 1.202 0.001 . 2 . . . . 70 V QG2 . 16478 1 879 . 1 1 70 70 VAL HG22 H 1 1.202 0.001 . 2 . . . . 70 V QG2 . 16478 1 880 . 1 1 70 70 VAL HG23 H 1 1.202 0.001 . 2 . . . . 70 V QG2 . 16478 1 881 . 1 1 70 70 VAL C C 13 179.416 0.028 . 1 . . . . 70 V C . 16478 1 882 . 1 1 70 70 VAL CA C 13 66.257 0.036 . 1 . . . . 70 V CA . 16478 1 883 . 1 1 70 70 VAL CB C 13 31.994 0.017 . 1 . . . . 70 V CB . 16478 1 884 . 1 1 70 70 VAL CG1 C 13 21.239 0.039 . 2 . . . . 70 V CG1 . 16478 1 885 . 1 1 70 70 VAL CG2 C 13 23.206 0.013 . 2 . . . . 70 V CG2 . 16478 1 886 . 1 1 70 70 VAL N N 15 120.013 0.021 . 1 . . . . 70 V N . 16478 1 887 . 1 1 71 71 ASN H H 1 8.015 0.001 . 1 . . . . 71 N H . 16478 1 888 . 1 1 71 71 ASN HA H 1 4.524 0.030 . 1 . . . . 71 N HA . 16478 1 889 . 1 1 71 71 ASN HB2 H 1 2.864 0.001 . 2 . . . . 71 N QB . 16478 1 890 . 1 1 71 71 ASN HB3 H 1 2.864 0.001 . 2 . . . . 71 N QB . 16478 1 891 . 1 1 71 71 ASN HD21 H 1 7.876 0.001 . 2 . . . . 71 N HD21 . 16478 1 892 . 1 1 71 71 ASN HD22 H 1 6.911 0.002 . 2 . . . . 71 N HD22 . 16478 1 893 . 1 1 71 71 ASN C C 13 176.926 0.033 . 1 . . . . 71 N C . 16478 1 894 . 1 1 71 71 ASN CA C 13 55.721 0.002 . 1 . . . . 71 N CA . 16478 1 895 . 1 1 71 71 ASN CB C 13 38.584 0.006 . 1 . . . . 71 N CB . 16478 1 896 . 1 1 71 71 ASN N N 15 118.497 0.035 . 1 . . . . 71 N N . 16478 1 897 . 1 1 71 71 ASN ND2 N 15 113.589 0.002 . 1 . . . . 71 N ND2 . 16478 1 898 . 1 1 72 72 ALA H H 1 7.879 0.001 . 1 . . . . 72 A H . 16478 1 899 . 1 1 72 72 ALA HA H 1 4.245 0.030 . 1 . . . . 72 A HA . 16478 1 900 . 1 1 72 72 ALA HB1 H 1 1.501 0.030 . 1 . . . . 72 A QB . 16478 1 901 . 1 1 72 72 ALA HB2 H 1 1.501 0.030 . 1 . . . . 72 A QB . 16478 1 902 . 1 1 72 72 ALA HB3 H 1 1.501 0.030 . 1 . . . . 72 A QB . 16478 1 903 . 1 1 72 72 ALA C C 13 179.149 0.025 . 1 . . . . 72 A C . 16478 1 904 . 1 1 72 72 ALA CA C 13 53.965 0.300 . 1 . . . . 72 A CA . 16478 1 905 . 1 1 72 72 ALA CB C 13 18.507 0.001 . 1 . . . . 72 A CB . 16478 1 906 . 1 1 72 72 ALA N N 15 121.681 0.020 . 1 . . . . 72 A N . 16478 1 907 . 1 1 73 73 GLN H H 1 7.845 0.001 . 1 . . . . 73 Q H . 16478 1 908 . 1 1 73 73 GLN HA H 1 4.250 0.001 . 1 . . . . 73 Q HA . 16478 1 909 . 1 1 73 73 GLN HB2 H 1 2.238 0.002 . 2 . . . . 73 Q QB . 16478 1 910 . 1 1 73 73 GLN HB3 H 1 2.238 0.002 . 2 . . . . 73 Q QB . 16478 1 911 . 1 1 73 73 GLN HE21 H 1 6.858 0.030 . 2 . . . . 73 Q HE21 . 16478 1 912 . 1 1 73 73 GLN HE22 H 1 7.639 0.030 . 2 . . . . 73 Q HE22 . 16478 1 913 . 1 1 73 73 GLN HG2 H 1 2.493 0.002 . 2 . . . . 73 Q HG2 . 16478 1 914 . 1 1 73 73 GLN HG3 H 1 2.649 0.003 . 2 . . . . 73 Q HG3 . 16478 1 915 . 1 1 73 73 GLN C C 13 177.291 0.021 . 1 . . . . 73 Q C . 16478 1 916 . 1 1 73 73 GLN CA C 13 56.968 0.010 . 1 . . . . 73 Q CA . 16478 1 917 . 1 1 73 73 GLN CB C 13 28.736 0.006 . 1 . . . . 73 Q CB . 16478 1 918 . 1 1 73 73 GLN CG C 13 34.007 0.016 . 1 . . . . 73 Q CG . 16478 1 919 . 1 1 73 73 GLN N N 15 117.617 0.032 . 1 . . . . 73 Q N . 16478 1 920 . 1 1 73 73 GLN NE2 N 15 111.464 0.010 . 1 . . . . 73 Q NE2 . 16478 1 921 . 1 1 74 74 LYS H H 1 7.902 0.001 . 1 . . . . 74 K H . 16478 1 922 . 1 1 74 74 LYS HA H 1 4.243 0.006 . 1 . . . . 74 K HA . 16478 1 923 . 1 1 74 74 LYS HB2 H 1 1.899 0.003 . 2 . . . . 74 K QB . 16478 1 924 . 1 1 74 74 LYS HB3 H 1 1.899 0.003 . 2 . . . . 74 K QB . 16478 1 925 . 1 1 74 74 LYS HD2 H 1 1.702 0.003 . 2 . . . . 74 K QD . 16478 1 926 . 1 1 74 74 LYS HD3 H 1 1.702 0.003 . 2 . . . . 74 K QD . 16478 1 927 . 1 1 74 74 LYS HE2 H 1 2.992 0.004 . 2 . . . . 74 K QE . 16478 1 928 . 1 1 74 74 LYS HE3 H 1 2.992 0.004 . 2 . . . . 74 K QE . 16478 1 929 . 1 1 74 74 LYS HG2 H 1 1.475 0.030 . 2 . . . . 74 K HG2 . 16478 1 930 . 1 1 74 74 LYS HG3 H 1 1.549 0.030 . 2 . . . . 74 K HG3 . 16478 1 931 . 1 1 74 74 LYS C C 13 177.334 0.062 . 1 . . . . 74 K C . 16478 1 932 . 1 1 74 74 LYS CA C 13 57.594 0.033 . 1 . . . . 74 K CA . 16478 1 933 . 1 1 74 74 LYS CB C 13 32.714 0.022 . 1 . . . . 74 K CB . 16478 1 934 . 1 1 74 74 LYS CD C 13 29.014 0.300 . 1 . . . . 74 K CD . 16478 1 935 . 1 1 74 74 LYS CE C 13 42.003 0.002 . 1 . . . . 74 K CE . 16478 1 936 . 1 1 74 74 LYS CG C 13 24.793 0.002 . 1 . . . . 74 K CG . 16478 1 937 . 1 1 74 74 LYS N N 15 120.792 0.011 . 1 . . . . 74 K N . 16478 1 938 . 1 1 75 75 ASP H H 1 8.267 0.002 . 1 . . . . 75 D H . 16478 1 939 . 1 1 75 75 ASP HA H 1 4.606 0.030 . 1 . . . . 75 D HA . 16478 1 940 . 1 1 75 75 ASP HB2 H 1 2.714 0.030 . 2 . . . . 75 D QB . 16478 1 941 . 1 1 75 75 ASP HB3 H 1 2.714 0.030 . 2 . . . . 75 D QB . 16478 1 942 . 1 1 75 75 ASP C C 13 176.858 0.037 . 1 . . . . 75 D C . 16478 1 943 . 1 1 75 75 ASP CA C 13 55.133 0.300 . 1 . . . . 75 D CA . 16478 1 944 . 1 1 75 75 ASP CB C 13 41.093 0.300 . 1 . . . . 75 D CB . 16478 1 945 . 1 1 75 75 ASP N N 15 120.458 0.016 . 1 . . . . 75 D N . 16478 1 946 . 1 1 76 76 SER H H 1 8.104 0.001 . 1 . . . . 76 S H . 16478 1 947 . 1 1 76 76 SER HA H 1 4.413 0.030 . 1 . . . . 76 S HA . 16478 1 948 . 1 1 76 76 SER HB2 H 1 3.924 0.030 . 2 . . . . 76 S QB . 16478 1 949 . 1 1 76 76 SER HB3 H 1 3.924 0.030 . 2 . . . . 76 S QB . 16478 1 950 . 1 1 76 76 SER C C 13 174.975 0.300 . 1 . . . . 76 S C . 16478 1 951 . 1 1 76 76 SER CA C 13 59.032 0.300 . 1 . . . . 76 S CA . 16478 1 952 . 1 1 76 76 SER CB C 13 63.794 0.300 . 1 . . . . 76 S CB . 16478 1 953 . 1 1 76 76 SER N N 15 115.624 0.032 . 1 . . . . 76 S N . 16478 1 954 . 1 1 77 77 MET H H 1 8.257 0.002 . 1 . . . . 77 M H . 16478 1 955 . 1 1 77 77 MET HA H 1 4.482 0.003 . 1 . . . . 77 M HA . 16478 1 956 . 1 1 77 77 MET HB2 H 1 2.058 0.030 . 2 . . . . 77 M HB2 . 16478 1 957 . 1 1 77 77 MET HB3 H 1 2.141 0.030 . 2 . . . . 77 M HB3 . 16478 1 958 . 1 1 77 77 MET HE1 H 1 2.089 0.030 . 1 . . . . 77 M QE . 16478 1 959 . 1 1 77 77 MET HE2 H 1 2.089 0.030 . 1 . . . . 77 M QE . 16478 1 960 . 1 1 77 77 MET HE3 H 1 2.089 0.030 . 1 . . . . 77 M QE . 16478 1 961 . 1 1 77 77 MET HG2 H 1 2.552 0.001 . 2 . . . . 77 M HG2 . 16478 1 962 . 1 1 77 77 MET HG3 H 1 2.646 0.001 . 2 . . . . 77 M HG3 . 16478 1 963 . 1 1 77 77 MET C C 13 176.460 0.006 . 1 . . . . 77 M C . 16478 1 964 . 1 1 77 77 MET CA C 13 55.803 0.036 . 1 . . . . 77 M CA . 16478 1 965 . 1 1 77 77 MET CB C 13 32.590 0.045 . 1 . . . . 77 M CB . 16478 1 966 . 1 1 77 77 MET CE C 13 16.944 0.300 . 1 . . . . 77 M CE . 16478 1 967 . 1 1 77 77 MET CG C 13 32.152 0.023 . 1 . . . . 77 M CG . 16478 1 968 . 1 1 77 77 MET N N 15 121.594 0.006 . 1 . . . . 77 M N . 16478 1 969 . 1 1 78 78 GLN H H 1 8.258 0.002 . 1 . . . . 78 Q H . 16478 1 970 . 1 1 78 78 GLN HA H 1 4.319 0.003 . 1 . . . . 78 Q HA . 16478 1 971 . 1 1 78 78 GLN HB2 H 1 2.078 0.030 . 2 . . . . 78 Q QB . 16478 1 972 . 1 1 78 78 GLN HB3 H 1 2.078 0.030 . 2 . . . . 78 Q QB . 16478 1 973 . 1 1 78 78 GLN HG2 H 1 2.353 0.030 . 2 . . . . 78 Q QG . 16478 1 974 . 1 1 78 78 GLN HG3 H 1 2.353 0.030 . 2 . . . . 78 Q QG . 16478 1 975 . 1 1 78 78 GLN C C 13 175.756 0.021 . 1 . . . . 78 Q C . 16478 1 976 . 1 1 78 78 GLN CA C 13 55.965 0.300 . 1 . . . . 78 Q CA . 16478 1 977 . 1 1 78 78 GLN CB C 13 29.473 0.300 . 1 . . . . 78 Q CB . 16478 1 978 . 1 1 78 78 GLN CG C 13 33.775 0.004 . 1 . . . . 78 Q CG . 16478 1 979 . 1 1 78 78 GLN N N 15 120.840 0.034 . 1 . . . . 78 Q N . 16478 1 980 . 1 1 79 79 ASP H H 1 8.375 0.001 . 1 . . . . 79 D H . 16478 1 981 . 1 1 79 79 ASP HA H 1 4.609 0.030 . 1 . . . . 79 D HA . 16478 1 982 . 1 1 79 79 ASP HB2 H 1 2.710 0.030 . 2 . . . . 79 D QB . 16478 1 983 . 1 1 79 79 ASP HB3 H 1 2.710 0.030 . 2 . . . . 79 D QB . 16478 1 984 . 1 1 79 79 ASP C C 13 176.703 0.029 . 1 . . . . 79 D C . 16478 1 985 . 1 1 79 79 ASP CA C 13 54.389 0.300 . 1 . . . . 79 D CA . 16478 1 986 . 1 1 79 79 ASP CB C 13 41.335 0.300 . 1 . . . . 79 D CB . 16478 1 987 . 1 1 79 79 ASP N N 15 121.785 0.034 . 1 . . . . 79 D N . 16478 1 988 . 1 1 80 80 GLU H H 1 8.589 0.001 . 1 . . . . 80 E H . 16478 1 989 . 1 1 80 80 GLU HA H 1 4.291 0.030 . 1 . . . . 80 E HA . 16478 1 990 . 1 1 80 80 GLU HB2 H 1 1.972 0.030 . 2 . . . . 80 E HB2 . 16478 1 991 . 1 1 80 80 GLU HB3 H 1 2.109 0.002 . 2 . . . . 80 E HB3 . 16478 1 992 . 1 1 80 80 GLU HG2 H 1 2.285 0.003 . 2 . . . . 80 E QG . 16478 1 993 . 1 1 80 80 GLU HG3 H 1 2.285 0.003 . 2 . . . . 80 E QG . 16478 1 994 . 1 1 80 80 GLU C C 13 177.234 0.014 . 1 . . . . 80 E C . 16478 1 995 . 1 1 80 80 GLU CA C 13 57.332 0.300 . 1 . . . . 80 E CA . 16478 1 996 . 1 1 80 80 GLU CB C 13 30.011 0.005 . 1 . . . . 80 E CB . 16478 1 997 . 1 1 80 80 GLU CG C 13 36.331 0.009 . 1 . . . . 80 E CG . 16478 1 998 . 1 1 80 80 GLU N N 15 122.478 0.004 . 1 . . . . 80 E N . 16478 1 999 . 1 1 81 81 SER H H 1 8.465 0.002 . 1 . . . . 81 S H . 16478 1 1000 . 1 1 81 81 SER HA H 1 4.415 0.030 . 1 . . . . 81 S HA . 16478 1 1001 . 1 1 81 81 SER HB2 H 1 3.920 0.030 . 2 . . . . 81 S QB . 16478 1 1002 . 1 1 81 81 SER HB3 H 1 3.920 0.030 . 2 . . . . 81 S QB . 16478 1 1003 . 1 1 81 81 SER C C 13 175.190 0.300 . 1 . . . . 81 S C . 16478 1 1004 . 1 1 81 81 SER CA C 13 59.282 0.300 . 1 . . . . 81 S CA . 16478 1 1005 . 1 1 81 81 SER CB C 13 63.688 0.300 . 1 . . . . 81 S CB . 16478 1 1006 . 1 1 81 81 SER N N 15 116.548 0.008 . 1 . . . . 81 S N . 16478 1 1007 . 1 1 82 82 SER H H 1 8.259 0.002 . 1 . . . . 82 S H . 16478 1 1008 . 1 1 82 82 SER HA H 1 4.466 0.030 . 1 . . . . 82 S HA . 16478 1 1009 . 1 1 82 82 SER HB2 H 1 3.917 0.030 . 2 . . . . 82 S QB . 16478 1 1010 . 1 1 82 82 SER HB3 H 1 3.917 0.030 . 2 . . . . 82 S QB . 16478 1 1011 . 1 1 82 82 SER C C 13 174.958 0.300 . 1 . . . . 82 S C . 16478 1 1012 . 1 1 82 82 SER CA C 13 58.956 0.300 . 1 . . . . 82 S CA . 16478 1 1013 . 1 1 82 82 SER CB C 13 63.667 0.300 . 1 . . . . 82 S CB . 16478 1 1014 . 1 1 82 82 SER N N 15 117.544 0.011 . 1 . . . . 82 S N . 16478 1 1015 . 1 1 83 83 GLN H H 1 8.313 0.001 . 1 . . . . 83 Q H . 16478 1 1016 . 1 1 83 83 GLN HA H 1 4.389 0.002 . 1 . . . . 83 Q HA . 16478 1 1017 . 1 1 83 83 GLN HB2 H 1 2.013 0.001 . 2 . . . . 83 Q HB2 . 16478 1 1018 . 1 1 83 83 GLN HB3 H 1 2.167 0.030 . 2 . . . . 83 Q HB3 . 16478 1 1019 . 1 1 83 83 GLN HG2 H 1 2.380 0.002 . 2 . . . . 83 Q QG . 16478 1 1020 . 1 1 83 83 GLN HG3 H 1 2.380 0.002 . 2 . . . . 83 Q QG . 16478 1 1021 . 1 1 83 83 GLN C C 13 176.539 0.031 . 1 . . . . 83 Q C . 16478 1 1022 . 1 1 83 83 GLN CA C 13 56.212 0.010 . 1 . . . . 83 Q CA . 16478 1 1023 . 1 1 83 83 GLN CB C 13 29.354 0.300 . 1 . . . . 83 Q CB . 16478 1 1024 . 1 1 83 83 GLN CG C 13 33.847 0.001 . 1 . . . . 83 Q CG . 16478 1 1025 . 1 1 83 83 GLN N N 15 121.721 0.021 . 1 . . . . 83 Q N . 16478 1 1026 . 1 1 84 84 THR H H 1 8.165 0.003 . 1 . . . . 84 T H . 16478 1 1027 . 1 1 84 84 THR HA H 1 4.327 0.001 . 1 . . . . 84 T HA . 16478 1 1028 . 1 1 84 84 THR HB H 1 4.241 0.030 . 1 . . . . 84 T HB . 16478 1 1029 . 1 1 84 84 THR HG21 H 1 1.203 0.001 . 1 . . . . 84 T QG2 . 16478 1 1030 . 1 1 84 84 THR HG22 H 1 1.203 0.001 . 1 . . . . 84 T QG2 . 16478 1 1031 . 1 1 84 84 THR HG23 H 1 1.203 0.001 . 1 . . . . 84 T QG2 . 16478 1 1032 . 1 1 84 84 THR C C 13 174.873 0.030 . 1 . . . . 84 T C . 16478 1 1033 . 1 1 84 84 THR CA C 13 62.257 0.013 . 1 . . . . 84 T CA . 16478 1 1034 . 1 1 84 84 THR CB C 13 69.755 0.300 . 1 . . . . 84 T CB . 16478 1 1035 . 1 1 84 84 THR CG2 C 13 21.556 0.007 . 1 . . . . 84 T CG2 . 16478 1 1036 . 1 1 84 84 THR N N 15 114.712 0.027 . 1 . . . . 84 T N . 16478 1 1037 . 1 1 85 85 SER H H 1 8.307 0.003 . 1 . . . . 85 S H . 16478 1 1038 . 1 1 85 85 SER HA H 1 4.437 0.030 . 1 . . . . 85 S HA . 16478 1 1039 . 1 1 85 85 SER HB2 H 1 3.876 0.030 . 2 . . . . 85 S QB . 16478 1 1040 . 1 1 85 85 SER HB3 H 1 3.876 0.030 . 2 . . . . 85 S QB . 16478 1 1041 . 1 1 85 85 SER C C 13 174.811 0.300 . 1 . . . . 85 S C . 16478 1 1042 . 1 1 85 85 SER CA C 13 58.819 0.300 . 1 . . . . 85 S CA . 16478 1 1043 . 1 1 85 85 SER CB C 13 63.645 0.300 . 1 . . . . 85 S CB . 16478 1 1044 . 1 1 85 85 SER N N 15 118.012 0.056 . 1 . . . . 85 S N . 16478 1 1045 . 1 1 86 86 LEU H H 1 8.193 0.002 . 1 . . . . 86 L H . 16478 1 1046 . 1 1 86 86 LEU HA H 1 4.327 0.030 . 1 . . . . 86 L HA . 16478 1 1047 . 1 1 86 86 LEU HB2 H 1 1.608 0.030 . 2 . . . . 86 L QB . 16478 1 1048 . 1 1 86 86 LEU HB3 H 1 1.608 0.030 . 2 . . . . 86 L QB . 16478 1 1049 . 1 1 86 86 LEU HD11 H 1 0.860 0.030 . 2 . . . . 86 L QD1 . 16478 1 1050 . 1 1 86 86 LEU HD12 H 1 0.860 0.030 . 2 . . . . 86 L QD1 . 16478 1 1051 . 1 1 86 86 LEU HD13 H 1 0.860 0.030 . 2 . . . . 86 L QD1 . 16478 1 1052 . 1 1 86 86 LEU HD21 H 1 0.912 0.030 . 2 . . . . 86 L QD2 . 16478 1 1053 . 1 1 86 86 LEU HD22 H 1 0.912 0.030 . 2 . . . . 86 L QD2 . 16478 1 1054 . 1 1 86 86 LEU HD23 H 1 0.912 0.030 . 2 . . . . 86 L QD2 . 16478 1 1055 . 1 1 86 86 LEU HG H 1 1.619 0.030 . 1 . . . . 86 L HG . 16478 1 1056 . 1 1 86 86 LEU C C 13 177.508 0.010 . 1 . . . . 86 L C . 16478 1 1057 . 1 1 86 86 LEU CA C 13 55.687 0.300 . 1 . . . . 86 L CA . 16478 1 1058 . 1 1 86 86 LEU CB C 13 42.340 0.004 . 1 . . . . 86 L CB . 16478 1 1059 . 1 1 86 86 LEU CD1 C 13 23.556 0.001 . 2 . . . . 86 L CD1 . 16478 1 1060 . 1 1 86 86 LEU CD2 C 13 24.880 0.001 . 2 . . . . 86 L CD2 . 16478 1 1061 . 1 1 86 86 LEU CG C 13 27.112 0.016 . 1 . . . . 86 L CG . 16478 1 1062 . 1 1 86 86 LEU N N 15 123.858 0.004 . 1 . . . . 86 L N . 16478 1 1063 . 1 1 87 87 GLN H H 1 8.247 0.005 . 1 . . . . 87 Q H . 16478 1 1064 . 1 1 87 87 GLN HA H 1 4.253 0.001 . 1 . . . . 87 Q HA . 16478 1 1065 . 1 1 87 87 GLN HB2 H 1 2.017 0.002 . 2 . . . . 87 Q QB . 16478 1 1066 . 1 1 87 87 GLN HB3 H 1 2.017 0.002 . 2 . . . . 87 Q QB . 16478 1 1067 . 1 1 87 87 GLN HG2 H 1 2.358 0.002 . 2 . . . . 87 Q QG . 16478 1 1068 . 1 1 87 87 GLN HG3 H 1 2.358 0.002 . 2 . . . . 87 Q QG . 16478 1 1069 . 1 1 87 87 GLN C C 13 176.135 0.005 . 1 . . . . 87 Q C . 16478 1 1070 . 1 1 87 87 GLN CA C 13 55.998 0.300 . 1 . . . . 87 Q CA . 16478 1 1071 . 1 1 87 87 GLN CB C 13 29.348 0.009 . 1 . . . . 87 Q CB . 16478 1 1072 . 1 1 87 87 GLN CG C 13 33.908 0.008 . 1 . . . . 87 Q CG . 16478 1 1073 . 1 1 87 87 GLN N N 15 120.726 0.012 . 1 . . . . 87 Q N . 16478 1 1074 . 1 1 88 88 LYS H H 1 8.251 0.004 . 1 . . . . 88 K H . 16478 1 1075 . 1 1 88 88 LYS HA H 1 4.289 0.030 . 1 . . . . 88 K HA . 16478 1 1076 . 1 1 88 88 LYS HB2 H 1 1.785 0.030 . 2 . . . . 88 K QB . 16478 1 1077 . 1 1 88 88 LYS HB3 H 1 1.785 0.030 . 2 . . . . 88 K QB . 16478 1 1078 . 1 1 88 88 LYS HD2 H 1 1.644 0.030 . 2 . . . . 88 K QD . 16478 1 1079 . 1 1 88 88 LYS HD3 H 1 1.644 0.030 . 2 . . . . 88 K QD . 16478 1 1080 . 1 1 88 88 LYS HE2 H 1 2.979 0.030 . 2 . . . . 88 K QE . 16478 1 1081 . 1 1 88 88 LYS HE3 H 1 2.979 0.030 . 2 . . . . 88 K QE . 16478 1 1082 . 1 1 88 88 LYS HG2 H 1 1.415 0.030 . 2 . . . . 88 K QG . 16478 1 1083 . 1 1 88 88 LYS HG3 H 1 1.415 0.030 . 2 . . . . 88 K QG . 16478 1 1084 . 1 1 88 88 LYS C C 13 176.569 0.300 . 1 . . . . 88 K C . 16478 1 1085 . 1 1 88 88 LYS CA C 13 56.481 0.300 . 1 . . . . 88 K CA . 16478 1 1086 . 1 1 88 88 LYS CB C 13 33.143 0.300 . 1 . . . . 88 K CB . 16478 1 1087 . 1 1 88 88 LYS CD C 13 28.810 0.300 . 1 . . . . 88 K CD . 16478 1 1088 . 1 1 88 88 LYS CE C 13 41.874 0.300 . 1 . . . . 88 K CE . 16478 1 1089 . 1 1 88 88 LYS CG C 13 24.739 0.300 . 1 . . . . 88 K CG . 16478 1 1090 . 1 1 88 88 LYS N N 15 122.496 0.008 . 1 . . . . 88 K N . 16478 1 1091 . 1 1 89 89 GLU H H 1 8.422 0.030 . 1 . . . . 89 E H . 16478 1 1092 . 1 1 89 89 GLU HA H 1 4.246 0.030 . 1 . . . . 89 E HA . 16478 1 1093 . 1 1 89 89 GLU HB2 H 1 2.005 0.003 . 2 . . . . 89 E QB . 16478 1 1094 . 1 1 89 89 GLU HB3 H 1 2.005 0.003 . 2 . . . . 89 E QB . 16478 1 1095 . 1 1 89 89 GLU HG2 H 1 2.245 0.010 . 2 . . . . 89 E QG . 16478 1 1096 . 1 1 89 89 GLU HG3 H 1 2.245 0.010 . 2 . . . . 89 E QG . 16478 1 1097 . 1 1 89 89 GLU C C 13 176.537 0.031 . 1 . . . . 89 E C . 16478 1 1098 . 1 1 89 89 GLU CA C 13 56.712 0.048 . 1 . . . . 89 E CA . 16478 1 1099 . 1 1 89 89 GLU CB C 13 30.252 0.005 . 1 . . . . 89 E CB . 16478 1 1100 . 1 1 89 89 GLU CG C 13 36.474 0.300 . 1 . . . . 89 E CG . 16478 1 1101 . 1 1 89 89 GLU N N 15 122.217 0.018 . 1 . . . . 89 E N . 16478 1 1102 . 1 1 90 90 ILE H H 1 8.238 0.004 . 1 . . . . 90 I H . 16478 1 1103 . 1 1 90 90 ILE HA H 1 4.215 0.002 . 1 . . . . 90 I HA . 16478 1 1104 . 1 1 90 90 ILE HB H 1 1.863 0.030 . 1 . . . . 90 I HB . 16478 1 1105 . 1 1 90 90 ILE HD11 H 1 0.820 0.001 . 1 . . . . 90 I QD1 . 16478 1 1106 . 1 1 90 90 ILE HD12 H 1 0.820 0.001 . 1 . . . . 90 I QD1 . 16478 1 1107 . 1 1 90 90 ILE HD13 H 1 0.820 0.001 . 1 . . . . 90 I QD1 . 16478 1 1108 . 1 1 90 90 ILE HG12 H 1 1.194 0.001 . 2 . . . . 90 I HG12 . 16478 1 1109 . 1 1 90 90 ILE HG13 H 1 1.480 0.001 . 2 . . . . 90 I HG13 . 16478 1 1110 . 1 1 90 90 ILE HG21 H 1 0.913 0.030 . 1 . . . . 90 I QG2 . 16478 1 1111 . 1 1 90 90 ILE HG22 H 1 0.913 0.030 . 1 . . . . 90 I QG2 . 16478 1 1112 . 1 1 90 90 ILE HG23 H 1 0.913 0.030 . 1 . . . . 90 I QG2 . 16478 1 1113 . 1 1 90 90 ILE C C 13 176.445 0.041 . 1 . . . . 90 I C . 16478 1 1114 . 1 1 90 90 ILE CA C 13 61.089 0.078 . 1 . . . . 90 I CA . 16478 1 1115 . 1 1 90 90 ILE CB C 13 38.864 0.300 . 1 . . . . 90 I CB . 16478 1 1116 . 1 1 90 90 ILE CD1 C 13 12.953 0.002 . 1 . . . . 90 I CD1 . 16478 1 1117 . 1 1 90 90 ILE CG1 C 13 27.249 0.019 . 1 . . . . 90 I CG1 . 16478 1 1118 . 1 1 90 90 ILE CG2 C 13 17.577 0.004 . 1 . . . . 90 I CG2 . 16478 1 1119 . 1 1 90 90 ILE N N 15 121.978 0.053 . 1 . . . . 90 I N . 16478 1 1120 . 1 1 91 91 SER H H 1 8.550 0.001 . 1 . . . . 91 S H . 16478 1 1121 . 1 1 91 91 SER HA H 1 4.536 0.030 . 1 . . . . 91 S HA . 16478 1 1122 . 1 1 91 91 SER HB2 H 1 3.940 0.030 . 2 . . . . 91 S HB2 . 16478 1 1123 . 1 1 91 91 SER HB3 H 1 4.082 0.030 . 2 . . . . 91 S HB3 . 16478 1 1124 . 1 1 91 91 SER C C 13 175.270 0.017 . 1 . . . . 91 S C . 16478 1 1125 . 1 1 91 91 SER CA C 13 58.346 0.300 . 1 . . . . 91 S CA . 16478 1 1126 . 1 1 91 91 SER CB C 13 64.428 0.300 . 1 . . . . 91 S CB . 16478 1 1127 . 1 1 91 91 SER N N 15 120.815 0.010 . 1 . . . . 91 S N . 16478 1 1128 . 1 1 92 92 THR H H 1 8.529 0.002 . 1 . . . . 92 T H . 16478 1 1129 . 1 1 92 92 THR HA H 1 4.155 0.030 . 1 . . . . 92 T HA . 16478 1 1130 . 1 1 92 92 THR HB H 1 4.266 0.030 . 1 . . . . 92 T HB . 16478 1 1131 . 1 1 92 92 THR HG21 H 1 1.251 0.001 . 1 . . . . 92 T QG2 . 16478 1 1132 . 1 1 92 92 THR HG22 H 1 1.251 0.001 . 1 . . . . 92 T QG2 . 16478 1 1133 . 1 1 92 92 THR HG23 H 1 1.251 0.001 . 1 . . . . 92 T QG2 . 16478 1 1134 . 1 1 92 92 THR C C 13 175.809 0.038 . 1 . . . . 92 T C . 16478 1 1135 . 1 1 92 92 THR CA C 13 64.087 0.016 . 1 . . . . 92 T CA . 16478 1 1136 . 1 1 92 92 THR CB C 13 69.337 0.001 . 1 . . . . 92 T CB . 16478 1 1137 . 1 1 92 92 THR CG2 C 13 22.024 0.001 . 1 . . . . 92 T CG2 . 16478 1 1138 . 1 1 92 92 THR N N 15 117.081 0.038 . 1 . . . . 92 T N . 16478 1 1139 . 1 1 93 93 GLU H H 1 8.660 0.049 . 1 . . . . 93 E H . 16478 1 1140 . 1 1 93 93 GLU HA H 1 4.063 0.002 . 1 . . . . 93 E HA . 16478 1 1141 . 1 1 93 93 GLU HB2 H 1 2.011 0.001 . 2 . . . . 93 E QB . 16478 1 1142 . 1 1 93 93 GLU HB3 H 1 2.011 0.001 . 2 . . . . 93 E QB . 16478 1 1143 . 1 1 93 93 GLU HG2 H 1 2.290 0.006 . 2 . . . . 93 E QG . 16478 1 1144 . 1 1 93 93 GLU HG3 H 1 2.290 0.006 . 2 . . . . 93 E QG . 16478 1 1145 . 1 1 93 93 GLU C C 13 178.392 0.020 . 1 . . . . 93 E C . 16478 1 1146 . 1 1 93 93 GLU CA C 13 59.204 0.002 . 1 . . . . 93 E CA . 16478 1 1147 . 1 1 93 93 GLU CB C 13 29.480 0.007 . 1 . . . . 93 E CB . 16478 1 1148 . 1 1 93 93 GLU CG C 13 36.543 0.001 . 1 . . . . 93 E CG . 16478 1 1149 . 1 1 93 93 GLU N N 15 121.497 0.049 . 1 . . . . 93 E N . 16478 1 1150 . 1 1 94 94 GLU H H 1 8.211 0.002 . 1 . . . . 94 E H . 16478 1 1151 . 1 1 94 94 GLU HA H 1 4.090 0.003 . 1 . . . . 94 E HA . 16478 1 1152 . 1 1 94 94 GLU HB2 H 1 2.077 0.030 . 2 . . . . 94 E QB . 16478 1 1153 . 1 1 94 94 GLU HB3 H 1 2.077 0.030 . 2 . . . . 94 E QB . 16478 1 1154 . 1 1 94 94 GLU HG2 H 1 2.265 0.002 . 2 . . . . 94 E QG . 16478 1 1155 . 1 1 94 94 GLU HG3 H 1 2.265 0.002 . 2 . . . . 94 E QG . 16478 1 1156 . 1 1 94 94 GLU C C 13 178.210 0.036 . 1 . . . . 94 E C . 16478 1 1157 . 1 1 94 94 GLU CA C 13 58.548 0.009 . 1 . . . . 94 E CA . 16478 1 1158 . 1 1 94 94 GLU CB C 13 29.607 0.300 . 1 . . . . 94 E CB . 16478 1 1159 . 1 1 94 94 GLU CG C 13 36.466 0.002 . 1 . . . . 94 E CG . 16478 1 1160 . 1 1 94 94 GLU N N 15 120.821 0.021 . 1 . . . . 94 E N . 16478 1 1161 . 1 1 95 95 GLN H H 1 8.218 0.002 . 1 . . . . 95 Q H . 16478 1 1162 . 1 1 95 95 GLN HA H 1 4.053 0.001 . 1 . . . . 95 Q HA . 16478 1 1163 . 1 1 95 95 GLN HB2 H 1 2.134 0.030 . 2 . . . . 95 Q QB . 16478 1 1164 . 1 1 95 95 GLN HB3 H 1 2.134 0.030 . 2 . . . . 95 Q QB . 16478 1 1165 . 1 1 95 95 GLN HE21 H 1 6.896 0.030 . 2 . . . . 95 Q HE21 . 16478 1 1166 . 1 1 95 95 GLN HE22 H 1 7.386 0.030 . 2 . . . . 95 Q HE22 . 16478 1 1167 . 1 1 95 95 GLN HG2 H 1 2.352 0.030 . 2 . . . . 95 Q HG2 . 16478 1 1168 . 1 1 95 95 GLN HG3 H 1 2.405 0.030 . 2 . . . . 95 Q HG3 . 16478 1 1169 . 1 1 95 95 GLN C C 13 178.056 0.039 . 1 . . . . 95 Q C . 16478 1 1170 . 1 1 95 95 GLN CA C 13 58.212 0.014 . 1 . . . . 95 Q CA . 16478 1 1171 . 1 1 95 95 GLN CB C 13 28.767 0.300 . 1 . . . . 95 Q CB . 16478 1 1172 . 1 1 95 95 GLN CG C 13 33.962 0.013 . 1 . . . . 95 Q CG . 16478 1 1173 . 1 1 95 95 GLN N N 15 120.086 0.057 . 1 . . . . 95 Q N . 16478 1 1174 . 1 1 95 95 GLN NE2 N 15 111.978 0.009 . 1 . . . . 95 Q NE2 . 16478 1 1175 . 1 1 96 96 LEU H H 1 8.078 0.007 . 1 . . . . 96 L H . 16478 1 1176 . 1 1 96 96 LEU HA H 1 4.158 0.001 . 1 . . . . 96 L HA . 16478 1 1177 . 1 1 96 96 LEU HB2 H 1 1.566 0.030 . 2 . . . . 96 L HB2 . 16478 1 1178 . 1 1 96 96 LEU HB3 H 1 1.759 0.030 . 2 . . . . 96 L HB3 . 16478 1 1179 . 1 1 96 96 LEU HD11 H 1 0.864 0.030 . 2 . . . . 96 L QD1 . 16478 1 1180 . 1 1 96 96 LEU HD12 H 1 0.864 0.030 . 2 . . . . 96 L QD1 . 16478 1 1181 . 1 1 96 96 LEU HD13 H 1 0.864 0.030 . 2 . . . . 96 L QD1 . 16478 1 1182 . 1 1 96 96 LEU HD21 H 1 0.894 0.030 . 2 . . . . 96 L QD2 . 16478 1 1183 . 1 1 96 96 LEU HD22 H 1 0.894 0.030 . 2 . . . . 96 L QD2 . 16478 1 1184 . 1 1 96 96 LEU HD23 H 1 0.894 0.030 . 2 . . . . 96 L QD2 . 16478 1 1185 . 1 1 96 96 LEU HG H 1 1.701 0.003 . 1 . . . . 96 L HG . 16478 1 1186 . 1 1 96 96 LEU C C 13 178.895 0.022 . 1 . . . . 96 L C . 16478 1 1187 . 1 1 96 96 LEU CA C 13 57.025 0.004 . 1 . . . . 96 L CA . 16478 1 1188 . 1 1 96 96 LEU CB C 13 41.845 0.017 . 1 . . . . 96 L CB . 16478 1 1189 . 1 1 96 96 LEU CD1 C 13 23.467 0.006 . 2 . . . . 96 L CD1 . 16478 1 1190 . 1 1 96 96 LEU CD2 C 13 24.887 0.002 . 2 . . . . 96 L CD2 . 16478 1 1191 . 1 1 96 96 LEU CG C 13 27.024 0.003 . 1 . . . . 96 L CG . 16478 1 1192 . 1 1 96 96 LEU N N 15 120.257 0.049 . 1 . . . . 96 L N . 16478 1 1193 . 1 1 97 97 ARG H H 1 7.968 0.004 . 1 . . . . 97 R H . 16478 1 1194 . 1 1 97 97 ARG HA H 1 4.156 0.030 . 1 . . . . 97 R HA . 16478 1 1195 . 1 1 97 97 ARG HB2 H 1 1.866 0.002 . 2 . . . . 97 R QB . 16478 1 1196 . 1 1 97 97 ARG HB3 H 1 1.866 0.002 . 2 . . . . 97 R QB . 16478 1 1197 . 1 1 97 97 ARG HD2 H 1 3.193 0.003 . 2 . . . . 97 R QD . 16478 1 1198 . 1 1 97 97 ARG HD3 H 1 3.193 0.003 . 2 . . . . 97 R QD . 16478 1 1199 . 1 1 97 97 ARG HG2 H 1 1.616 0.002 . 2 . . . . 97 R QG . 16478 1 1200 . 1 1 97 97 ARG HG3 H 1 1.616 0.002 . 2 . . . . 97 R QG . 16478 1 1201 . 1 1 97 97 ARG C C 13 177.975 0.049 . 1 . . . . 97 R C . 16478 1 1202 . 1 1 97 97 ARG CA C 13 58.173 0.300 . 1 . . . . 97 R CA . 16478 1 1203 . 1 1 97 97 ARG CB C 13 30.198 0.002 . 1 . . . . 97 R CB . 16478 1 1204 . 1 1 97 97 ARG CD C 13 43.336 0.001 . 1 . . . . 97 R CD . 16478 1 1205 . 1 1 97 97 ARG CG C 13 27.323 0.006 . 1 . . . . 97 R CG . 16478 1 1206 . 1 1 97 97 ARG N N 15 120.296 0.027 . 1 . . . . 97 R N . 16478 1 1207 . 1 1 98 98 ARG H H 1 8.031 0.003 . 1 . . . . 98 R H . 16478 1 1208 . 1 1 98 98 ARG HA H 1 4.142 0.030 . 1 . . . . 98 R HA . 16478 1 1209 . 1 1 98 98 ARG HB2 H 1 1.869 0.002 . 2 . . . . 98 R QB . 16478 1 1210 . 1 1 98 98 ARG HB3 H 1 1.869 0.002 . 2 . . . . 98 R QB . 16478 1 1211 . 1 1 98 98 ARG HD2 H 1 3.175 0.005 . 2 . . . . 98 R QD . 16478 1 1212 . 1 1 98 98 ARG HD3 H 1 3.175 0.005 . 2 . . . . 98 R QD . 16478 1 1213 . 1 1 98 98 ARG HG2 H 1 1.743 0.030 . 2 . . . . 98 R QG . 16478 1 1214 . 1 1 98 98 ARG HG3 H 1 1.743 0.030 . 2 . . . . 98 R QG . 16478 1 1215 . 1 1 98 98 ARG C C 13 177.751 0.020 . 1 . . . . 98 R C . 16478 1 1216 . 1 1 98 98 ARG CA C 13 57.835 0.300 . 1 . . . . 98 R CA . 16478 1 1217 . 1 1 98 98 ARG CB C 13 30.257 0.002 . 1 . . . . 98 R CB . 16478 1 1218 . 1 1 98 98 ARG CD C 13 43.364 0.027 . 1 . . . . 98 R CD . 16478 1 1219 . 1 1 98 98 ARG CG C 13 27.402 0.300 . 1 . . . . 98 R CG . 16478 1 1220 . 1 1 98 98 ARG N N 15 119.631 0.078 . 1 . . . . 98 R N . 16478 1 1221 . 1 1 99 99 LEU H H 1 7.928 0.016 . 1 . . . . 99 L H . 16478 1 1222 . 1 1 99 99 LEU HA H 1 4.217 0.030 . 1 . . . . 99 L HA . 16478 1 1223 . 1 1 99 99 LEU HB2 H 1 1.618 0.030 . 2 . . . . 99 L HB2 . 16478 1 1224 . 1 1 99 99 LEU HB3 H 1 1.779 0.030 . 2 . . . . 99 L HB3 . 16478 1 1225 . 1 1 99 99 LEU HD11 H 1 0.874 0.030 . 2 . . . . 99 L QD1 . 16478 1 1226 . 1 1 99 99 LEU HD12 H 1 0.874 0.030 . 2 . . . . 99 L QD1 . 16478 1 1227 . 1 1 99 99 LEU HD13 H 1 0.874 0.030 . 2 . . . . 99 L QD1 . 16478 1 1228 . 1 1 99 99 LEU HD21 H 1 0.919 0.030 . 2 . . . . 99 L QD2 . 16478 1 1229 . 1 1 99 99 LEU HD22 H 1 0.919 0.030 . 2 . . . . 99 L QD2 . 16478 1 1230 . 1 1 99 99 LEU HD23 H 1 0.919 0.030 . 2 . . . . 99 L QD2 . 16478 1 1231 . 1 1 99 99 LEU HG H 1 1.716 0.030 . 1 . . . . 99 L HG . 16478 1 1232 . 1 1 99 99 LEU C C 13 178.419 0.020 . 1 . . . . 99 L C . 16478 1 1233 . 1 1 99 99 LEU CA C 13 56.469 0.300 . 1 . . . . 99 L CA . 16478 1 1234 . 1 1 99 99 LEU CB C 13 42.187 0.008 . 1 . . . . 99 L CB . 16478 1 1235 . 1 1 99 99 LEU CD1 C 13 23.462 0.001 . 2 . . . . 99 L CD1 . 16478 1 1236 . 1 1 99 99 LEU CD2 C 13 25.029 0.003 . 2 . . . . 99 L CD2 . 16478 1 1237 . 1 1 99 99 LEU CG C 13 27.048 0.008 . 1 . . . . 99 L CG . 16478 1 1238 . 1 1 99 99 LEU N N 15 120.641 0.113 . 1 . . . . 99 L N . 16478 1 1239 . 1 1 100 100 GLN H H 1 7.997 0.013 . 1 . . . . 100 Q H . 16478 1 1240 . 1 1 100 100 GLN HA H 1 4.226 0.004 . 1 . . . . 100 Q HA . 16478 1 1241 . 1 1 100 100 GLN HB2 H 1 2.101 0.030 . 2 . . . . 100 Q QB . 16478 1 1242 . 1 1 100 100 GLN HB3 H 1 2.101 0.030 . 2 . . . . 100 Q QB . 16478 1 1243 . 1 1 100 100 GLN HG2 H 1 2.410 0.004 . 2 . . . . 100 Q QG . 16478 1 1244 . 1 1 100 100 GLN HG3 H 1 2.410 0.004 . 2 . . . . 100 Q QG . 16478 1 1245 . 1 1 100 100 GLN C C 13 176.778 0.012 . 1 . . . . 100 Q C . 16478 1 1246 . 1 1 100 100 GLN CA C 13 56.694 0.300 . 1 . . . . 100 Q CA . 16478 1 1247 . 1 1 100 100 GLN CB C 13 29.107 0.300 . 1 . . . . 100 Q CB . 16478 1 1248 . 1 1 100 100 GLN CG C 13 33.916 0.004 . 1 . . . . 100 Q CG . 16478 1 1249 . 1 1 100 100 GLN N N 15 118.672 0.068 . 1 . . . . 100 Q N . 16478 1 1250 . 1 1 101 101 GLU H H 1 8.128 0.014 . 1 . . . . 101 E H . 16478 1 1251 . 1 1 101 101 GLU HA H 1 4.222 0.007 . 1 . . . . 101 E HA . 16478 1 1252 . 1 1 101 101 GLU HB2 H 1 2.003 0.003 . 2 . . . . 101 E QB . 16478 1 1253 . 1 1 101 101 GLU HB3 H 1 2.003 0.003 . 2 . . . . 101 E QB . 16478 1 1254 . 1 1 101 101 GLU HG2 H 1 2.326 0.004 . 2 . . . . 101 E QG . 16478 1 1255 . 1 1 101 101 GLU HG3 H 1 2.326 0.004 . 2 . . . . 101 E QG . 16478 1 1256 . 1 1 101 101 GLU C C 13 176.818 0.030 . 1 . . . . 101 E C . 16478 1 1257 . 1 1 101 101 GLU CA C 13 56.994 0.091 . 1 . . . . 101 E CA . 16478 1 1258 . 1 1 101 101 GLU CB C 13 30.267 0.012 . 1 . . . . 101 E CB . 16478 1 1259 . 1 1 101 101 GLU CG C 13 36.447 0.300 . 1 . . . . 101 E CG . 16478 1 1260 . 1 1 101 101 GLU N N 15 120.333 0.047 . 1 . . . . 101 E N . 16478 1 1261 . 1 1 102 102 GLU H H 1 8.187 0.002 . 1 . . . . 102 E H . 16478 1 1262 . 1 1 102 102 GLU HA H 1 4.242 0.001 . 1 . . . . 102 E HA . 16478 1 1263 . 1 1 102 102 GLU HB2 H 1 2.027 0.030 . 2 . . . . 102 E QB . 16478 1 1264 . 1 1 102 102 GLU HB3 H 1 2.027 0.030 . 2 . . . . 102 E QB . 16478 1 1265 . 1 1 102 102 GLU HG2 H 1 2.214 0.030 . 2 . . . . 102 E HG2 . 16478 1 1266 . 1 1 102 102 GLU HG3 H 1 2.324 0.005 . 2 . . . . 102 E HG3 . 16478 1 1267 . 1 1 102 102 GLU C C 13 176.181 0.030 . 1 . . . . 102 E C . 16478 1 1268 . 1 1 102 102 GLU CA C 13 56.841 0.046 . 1 . . . . 102 E CA . 16478 1 1269 . 1 1 102 102 GLU CB C 13 30.372 0.045 . 1 . . . . 102 E CB . 16478 1 1270 . 1 1 102 102 GLU CG C 13 36.401 0.300 . 1 . . . . 102 E CG . 16478 1 1271 . 1 1 102 102 GLU N N 15 121.032 0.007 . 1 . . . . 102 E N . 16478 1 1272 . 1 1 103 103 LYS H H 1 8.156 0.001 . 1 . . . . 103 K H . 16478 1 1273 . 1 1 103 103 LYS HA H 1 4.339 0.030 . 1 . . . . 103 K HA . 16478 1 1274 . 1 1 103 103 LYS HB2 H 1 1.851 0.003 . 2 . . . . 103 K QB . 16478 1 1275 . 1 1 103 103 LYS HB3 H 1 1.851 0.003 . 2 . . . . 103 K QB . 16478 1 1276 . 1 1 103 103 LYS HD2 H 1 1.676 0.003 . 2 . . . . 103 K QD . 16478 1 1277 . 1 1 103 103 LYS HD3 H 1 1.676 0.003 . 2 . . . . 103 K QD . 16478 1 1278 . 1 1 103 103 LYS HE2 H 1 2.984 0.003 . 2 . . . . 103 K QE . 16478 1 1279 . 1 1 103 103 LYS HE3 H 1 2.984 0.003 . 2 . . . . 103 K QE . 16478 1 1280 . 1 1 103 103 LYS HG2 H 1 1.439 0.001 . 2 . . . . 103 K QG . 16478 1 1281 . 1 1 103 103 LYS HG3 H 1 1.439 0.001 . 2 . . . . 103 K QG . 16478 1 1282 . 1 1 103 103 LYS C C 13 175.478 0.018 . 1 . . . . 103 K C . 16478 1 1283 . 1 1 103 103 LYS CA C 13 56.093 0.300 . 1 . . . . 103 K CA . 16478 1 1284 . 1 1 103 103 LYS CB C 13 32.858 0.300 . 1 . . . . 103 K CB . 16478 1 1285 . 1 1 103 103 LYS CD C 13 29.017 0.014 . 1 . . . . 103 K CD . 16478 1 1286 . 1 1 103 103 LYS CE C 13 41.962 0.014 . 1 . . . . 103 K CE . 16478 1 1287 . 1 1 103 103 LYS CG C 13 24.743 0.009 . 1 . . . . 103 K CG . 16478 1 1288 . 1 1 103 103 LYS N N 15 122.610 0.021 . 1 . . . . 103 K N . 16478 1 1289 . 1 1 104 104 LEU H H 1 7.878 0.030 . 1 . . . . 104 L H . 16478 1 1290 . 1 1 104 104 LEU HA H 1 4.174 0.002 . 1 . . . . 104 L HA . 16478 1 1291 . 1 1 104 104 LEU HB2 H 1 1.573 0.002 . 2 . . . . 104 L QB . 16478 1 1292 . 1 1 104 104 LEU HB3 H 1 1.573 0.002 . 2 . . . . 104 L QB . 16478 1 1293 . 1 1 104 104 LEU HD11 H 1 0.851 0.004 . 2 . . . . 104 L QD1 . 16478 1 1294 . 1 1 104 104 LEU HD12 H 1 0.851 0.004 . 2 . . . . 104 L QD1 . 16478 1 1295 . 1 1 104 104 LEU HD13 H 1 0.851 0.004 . 2 . . . . 104 L QD1 . 16478 1 1296 . 1 1 104 104 LEU HD21 H 1 0.892 0.002 . 2 . . . . 104 L QD2 . 16478 1 1297 . 1 1 104 104 LEU HD22 H 1 0.892 0.002 . 2 . . . . 104 L QD2 . 16478 1 1298 . 1 1 104 104 LEU HD23 H 1 0.892 0.002 . 2 . . . . 104 L QD2 . 16478 1 1299 . 1 1 104 104 LEU HG H 1 1.608 0.008 . 1 . . . . 104 L HG . 16478 1 1300 . 1 1 104 104 LEU C C 13 182.560 0.300 . 1 . . . . 104 L C . 16478 1 1301 . 1 1 104 104 LEU CA C 13 56.776 0.006 . 1 . . . . 104 L CA . 16478 1 1302 . 1 1 104 104 LEU CB C 13 43.385 0.006 . 1 . . . . 104 L CB . 16478 1 1303 . 1 1 104 104 LEU CD1 C 13 23.525 0.031 . 2 . . . . 104 L CD1 . 16478 1 1304 . 1 1 104 104 LEU CD2 C 13 25.166 0.002 . 2 . . . . 104 L CD2 . 16478 1 1305 . 1 1 104 104 LEU CG C 13 27.377 0.002 . 1 . . . . 104 L CG . 16478 1 1306 . 1 1 104 104 LEU N N 15 129.687 0.012 . 1 . . . . 104 L N . 16478 1 stop_ save_