data_17607 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17607 _Entry.Title ; Solution structure of RBBP1 tudor domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-28 _Entry.Accession_date 2011-04-28 _Entry.Last_release_date 2012-05-09 _Entry.Original_release_date 2012-05-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Weibin Gong . . . 17607 2 Yingang Feng . . . 17607 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17607 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RBBP1 . 17607 'tudor domain' . 17607 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17607 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 17607 '15N chemical shifts' 116 17607 '1H chemical shifts' 719 17607 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 . . 2012-05-09 2011-04-28 original author . 17607 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17606 'RBBP1 chromobarrel domain' 17607 PDB 2MAM 'BMRB Entry Tracking System' 17607 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17607 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22247551 _Citation.Full_citation . _Citation.Title 'Structural insight into recognition of methylated histone tails by retinoblastoma-binding protein 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 11 _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 8531 _Citation.Page_last 8540 _Citation.Year 2012 _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 Weibin Gong . . . 17607 1 2 Tao Zhou . . . 17607 1 3 Jinjin Mo . . . 17607 1 4 Sarah Perrett . . . 17607 1 5 Jinfeng Wang . . . 17607 1 6 Yingang Feng . . . 17607 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17607 _Assembly.ID 1 _Assembly.Name 'RBBP1 tudor domain' _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 RBBP1 1 $RBBP1 A . yes native no no . . . 17607 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RBBP1 _Entity.Sf_category entity _Entity.Sf_framecode RBBP1 _Entity.Entry_ID 17607 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; ADEPAYLTVGTDVSAKYRGA FCEAKIKTVKRLVKVKVLLK QDNTTQLVQDDQVKGPLRVG AIVETRTSDGSFQEAIISKL TDASWYTVVFDDGDERTLRR TSLCLKGERHFAESETLD ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13172.984 _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 2MAM . "Solution Structure Of The Interdigitated Double Tudor Domain Of Rbbp1" . . . . . 100.00 118 100.00 100.00 2.32e-78 . . . . 17607 1 2 no DBJ BAC31192 . "unnamed protein product [Mus musculus]" . . . . . 100.00 295 99.15 99.15 1.18e-75 . . . . 17607 1 3 no GB AAB28543 . "retinoblastoma binding protein 1 [Homo sapiens]" . . . . . 100.00 1257 100.00 100.00 1.67e-72 . . . . 17607 1 4 no GB AAH25436 . "Arid4a protein, partial [Mus musculus]" . . . . . 100.00 422 99.15 99.15 6.66e-74 . . . . 17607 1 5 no GB AAH26230 . "ARID4A protein, partial [Homo sapiens]" . . . . . 100.00 424 100.00 100.00 4.15e-75 . . . . 17607 1 6 no GB AAH58209 . "Arid4a protein, partial [Mus musculus]" . . . . . 100.00 537 99.15 99.15 4.10e-73 . . . . 17607 1 7 no GB AAI57976 . "Arid4a protein [Mus musculus]" . . . . . 100.00 1260 99.15 99.15 6.01e-71 . . . . 17607 1 8 no REF NP_001074664 . "AT-rich interactive domain-containing protein 4A [Mus musculus]" . . . . . 100.00 1261 99.15 99.15 5.15e-71 . . . . 17607 1 9 no REF NP_001231108 . "AT-rich interactive domain-containing protein 4A [Sus scrofa]" . . . . . 100.00 1259 98.31 100.00 9.15e-72 . . . . 17607 1 10 no REF NP_001243510 . "AT-rich interactive domain-containing protein 4A [Bos taurus]" . . . . . 100.00 1261 99.15 100.00 1.94e-72 . . . . 17607 1 11 no REF NP_002883 . "AT-rich interactive domain-containing protein 4A isoform I [Homo sapiens]" . . . . . 100.00 1257 100.00 100.00 1.67e-72 . . . . 17607 1 12 no REF NP_075376 . "AT-rich interactive domain-containing protein 4A isoform II [Homo sapiens]" . . . . . 100.00 1203 100.00 100.00 1.15e-72 . . . . 17607 1 13 no SP P29374 . "RecName: Full=AT-rich interactive domain-containing protein 4A; Short=ARID domain-containing protein 4A; AltName: Full=Retinobl" . . . . . 100.00 1257 100.00 100.00 1.67e-72 . . . . 17607 1 14 no TPG DAA25277 . "TPA: retinoblastoma-binding protein 1-like [Bos taurus]" . . . . . 100.00 1261 99.15 100.00 1.94e-72 . . . . 17607 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 . ALA . 17607 1 2 . ASP . 17607 1 3 . GLU . 17607 1 4 . PRO . 17607 1 5 . ALA . 17607 1 6 . TYR . 17607 1 7 . LEU . 17607 1 8 . THR . 17607 1 9 . VAL . 17607 1 10 . GLY . 17607 1 11 . THR . 17607 1 12 . ASP . 17607 1 13 . VAL . 17607 1 14 . SER . 17607 1 15 . ALA . 17607 1 16 . LYS . 17607 1 17 . TYR . 17607 1 18 . ARG . 17607 1 19 . GLY . 17607 1 20 . ALA . 17607 1 21 . PHE . 17607 1 22 . CYS . 17607 1 23 . GLU . 17607 1 24 . ALA . 17607 1 25 . LYS . 17607 1 26 . ILE . 17607 1 27 . LYS . 17607 1 28 . THR . 17607 1 29 . VAL . 17607 1 30 . LYS . 17607 1 31 . ARG . 17607 1 32 . LEU . 17607 1 33 . VAL . 17607 1 34 . LYS . 17607 1 35 . VAL . 17607 1 36 . LYS . 17607 1 37 . VAL . 17607 1 38 . LEU . 17607 1 39 . LEU . 17607 1 40 . LYS . 17607 1 41 . GLN . 17607 1 42 . ASP . 17607 1 43 . ASN . 17607 1 44 . THR . 17607 1 45 . THR . 17607 1 46 . GLN . 17607 1 47 . LEU . 17607 1 48 . VAL . 17607 1 49 . GLN . 17607 1 50 . ASP . 17607 1 51 . ASP . 17607 1 52 . GLN . 17607 1 53 . VAL . 17607 1 54 . LYS . 17607 1 55 . GLY . 17607 1 56 . PRO . 17607 1 57 . LEU . 17607 1 58 . ARG . 17607 1 59 . VAL . 17607 1 60 . GLY . 17607 1 61 . ALA . 17607 1 62 . ILE . 17607 1 63 . VAL . 17607 1 64 . GLU . 17607 1 65 . THR . 17607 1 66 . ARG . 17607 1 67 . THR . 17607 1 68 . SER . 17607 1 69 . ASP . 17607 1 70 . GLY . 17607 1 71 . SER . 17607 1 72 . PHE . 17607 1 73 . GLN . 17607 1 74 . GLU . 17607 1 75 . ALA . 17607 1 76 . ILE . 17607 1 77 . ILE . 17607 1 78 . SER . 17607 1 79 . LYS . 17607 1 80 . LEU . 17607 1 81 . THR . 17607 1 82 . ASP . 17607 1 83 . ALA . 17607 1 84 . SER . 17607 1 85 . TRP . 17607 1 86 . TYR . 17607 1 87 . THR . 17607 1 88 . VAL . 17607 1 89 . VAL . 17607 1 90 . PHE . 17607 1 91 . ASP . 17607 1 92 . ASP . 17607 1 93 . GLY . 17607 1 94 . ASP . 17607 1 95 . GLU . 17607 1 96 . ARG . 17607 1 97 . THR . 17607 1 98 . LEU . 17607 1 99 . ARG . 17607 1 100 . ARG . 17607 1 101 . THR . 17607 1 102 . SER . 17607 1 103 . LEU . 17607 1 104 . CYS . 17607 1 105 . LEU . 17607 1 106 . LYS . 17607 1 107 . GLY . 17607 1 108 . GLU . 17607 1 109 . ARG . 17607 1 110 . HIS . 17607 1 111 . PHE . 17607 1 112 . ALA . 17607 1 113 . GLU . 17607 1 114 . SER . 17607 1 115 . GLU . 17607 1 116 . THR . 17607 1 117 . LEU . 17607 1 118 . ASP . 17607 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 . ALA 1 1 17607 1 . ASP 2 2 17607 1 . GLU 3 3 17607 1 . PRO 4 4 17607 1 . ALA 5 5 17607 1 . TYR 6 6 17607 1 . LEU 7 7 17607 1 . THR 8 8 17607 1 . VAL 9 9 17607 1 . GLY 10 10 17607 1 . THR 11 11 17607 1 . ASP 12 12 17607 1 . VAL 13 13 17607 1 . SER 14 14 17607 1 . ALA 15 15 17607 1 . LYS 16 16 17607 1 . TYR 17 17 17607 1 . ARG 18 18 17607 1 . GLY 19 19 17607 1 . ALA 20 20 17607 1 . PHE 21 21 17607 1 . CYS 22 22 17607 1 . GLU 23 23 17607 1 . ALA 24 24 17607 1 . LYS 25 25 17607 1 . ILE 26 26 17607 1 . LYS 27 27 17607 1 . THR 28 28 17607 1 . VAL 29 29 17607 1 . LYS 30 30 17607 1 . ARG 31 31 17607 1 . LEU 32 32 17607 1 . VAL 33 33 17607 1 . LYS 34 34 17607 1 . VAL 35 35 17607 1 . LYS 36 36 17607 1 . VAL 37 37 17607 1 . LEU 38 38 17607 1 . LEU 39 39 17607 1 . LYS 40 40 17607 1 . GLN 41 41 17607 1 . ASP 42 42 17607 1 . ASN 43 43 17607 1 . THR 44 44 17607 1 . THR 45 45 17607 1 . GLN 46 46 17607 1 . LEU 47 47 17607 1 . VAL 48 48 17607 1 . GLN 49 49 17607 1 . ASP 50 50 17607 1 . ASP 51 51 17607 1 . GLN 52 52 17607 1 . VAL 53 53 17607 1 . LYS 54 54 17607 1 . GLY 55 55 17607 1 . PRO 56 56 17607 1 . LEU 57 57 17607 1 . ARG 58 58 17607 1 . VAL 59 59 17607 1 . GLY 60 60 17607 1 . ALA 61 61 17607 1 . ILE 62 62 17607 1 . VAL 63 63 17607 1 . GLU 64 64 17607 1 . THR 65 65 17607 1 . ARG 66 66 17607 1 . THR 67 67 17607 1 . SER 68 68 17607 1 . ASP 69 69 17607 1 . GLY 70 70 17607 1 . SER 71 71 17607 1 . PHE 72 72 17607 1 . GLN 73 73 17607 1 . GLU 74 74 17607 1 . ALA 75 75 17607 1 . ILE 76 76 17607 1 . ILE 77 77 17607 1 . SER 78 78 17607 1 . LYS 79 79 17607 1 . LEU 80 80 17607 1 . THR 81 81 17607 1 . ASP 82 82 17607 1 . ALA 83 83 17607 1 . SER 84 84 17607 1 . TRP 85 85 17607 1 . TYR 86 86 17607 1 . THR 87 87 17607 1 . VAL 88 88 17607 1 . VAL 89 89 17607 1 . PHE 90 90 17607 1 . ASP 91 91 17607 1 . ASP 92 92 17607 1 . GLY 93 93 17607 1 . ASP 94 94 17607 1 . GLU 95 95 17607 1 . ARG 96 96 17607 1 . THR 97 97 17607 1 . LEU 98 98 17607 1 . ARG 99 99 17607 1 . ARG 100 100 17607 1 . THR 101 101 17607 1 . SER 102 102 17607 1 . LEU 103 103 17607 1 . CYS 104 104 17607 1 . LEU 105 105 17607 1 . LYS 106 106 17607 1 . GLY 107 107 17607 1 . GLU 108 108 17607 1 . ARG 109 109 17607 1 . HIS 110 110 17607 1 . PHE 111 111 17607 1 . ALA 112 112 17607 1 . GLU 113 113 17607 1 . SER 114 114 17607 1 . GLU 115 115 17607 1 . THR 116 116 17607 1 . LEU 117 117 17607 1 . ASP 118 118 17607 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 17607 _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 $RBBP1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17607 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 17607 _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 $RBBP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta (DE3)' . . . . . . . . . . . . . . . 'pGBO expression vector' . . . . . . 17607 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17607 _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 RBBP1 '[U-95% 15N]' . . 1 $RBBP1 . . 0.6 . . mM . . . . 17607 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17607 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17607 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17607 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17607 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17607 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17607 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RBBP1 '[U-95% 13C; U-95% 15N]' . . 1 $RBBP1 . . 0.6 . . mM . . . . 17607 2 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17607 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17607 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17607 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17607 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17607 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17607 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 17607 1 pH 7 . pH 17607 1 pressure 1 . atm 17607 1 temperature 298 . K 17607 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17607 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17607 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17607 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17607 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17607 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17607 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17607 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17607 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17607 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17607 _Software.ID 4 _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' . . 17607 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17607 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17607 _Software.ID 5 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17607 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17607 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17607 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a z-gradient triple-resonance cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 17607 _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 DMX . 600 'equipped with a z-gradient triple-resonance cryoprobe' . . 17607 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 17607 _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 . . . . . . . . . . . . . . . . 17607 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 7 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 1 14 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17607 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 17607 _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 0.00 . indirect 0.251449530 . . . . . . . . . 17607 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17607 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17607 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 17607 _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' . . . 17607 1 2 '2D 1H-13C HSQC' . . . 17607 1 3 '2D 1H-13C HSQC aromatic' . . . 17607 1 4 '3D CBCA(CO)NH' . . . 17607 1 5 '3D HNCACB' . . . 17607 1 6 '3D HNCO' . . . 17607 1 7 '3D HCACO' . . . 17607 1 9 '3D HBHA(CO)NH' . . . 17607 1 10 '3D HCCH-TOCSY' . . . 17607 1 14 '3D HCCH-COSY' . . . 17607 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 ALA HA H 1 4.3000 0.02 . 1 . . . A 1 ALA HA . 17607 1 2 . 1 1 1 1 ALA HB1 H 1 1.3930 0.02 . 1 . . . A 1 ALA HB1 . 17607 1 3 . 1 1 1 1 ALA HB2 H 1 1.3930 0.02 . 1 . . . A 1 ALA HB2 . 17607 1 4 . 1 1 1 1 ALA HB3 H 1 1.3930 0.02 . 1 . . . A 1 ALA HB3 . 17607 1 5 . 1 1 1 1 ALA C C 13 177.4330 0.3 . 1 . . . A 1 ALA C . 17607 1 6 . 1 1 1 1 ALA CA C 13 52.8670 0.3 . 1 . . . A 1 ALA CA . 17607 1 7 . 1 1 1 1 ALA CB C 13 19.0850 0.3 . 1 . . . A 1 ALA CB . 17607 1 8 . 1 1 2 2 ASP H H 1 8.2550 0.02 . 1 . . . A 2 ASP H . 17607 1 9 . 1 1 2 2 ASP HA H 1 4.5840 0.02 . 1 . . . A 2 ASP HA . 17607 1 10 . 1 1 2 2 ASP HB2 H 1 2.6850 0.02 . 2 . . . A 2 ASP HB2 . 17607 1 11 . 1 1 2 2 ASP HB3 H 1 2.5520 0.02 . 2 . . . A 2 ASP HB3 . 17607 1 12 . 1 1 2 2 ASP C C 13 175.8800 0.3 . 1 . . . A 2 ASP C . 17607 1 13 . 1 1 2 2 ASP CA C 13 54.1770 0.3 . 1 . . . A 2 ASP CA . 17607 1 14 . 1 1 2 2 ASP CB C 13 41.1370 0.3 . 1 . . . A 2 ASP CB . 17607 1 15 . 1 1 2 2 ASP N N 15 118.8380 0.3 . 1 . . . A 2 ASP N . 17607 1 16 . 1 1 3 3 GLU H H 1 8.1030 0.02 . 1 . . . A 3 GLU H . 17607 1 17 . 1 1 3 3 GLU HA H 1 4.5690 0.02 . 1 . . . A 3 GLU HA . 17607 1 18 . 1 1 3 3 GLU HB2 H 1 1.8800 0.02 . 2 . . . A 3 GLU HB2 . 17607 1 19 . 1 1 3 3 GLU HG2 H 1 2.2680 0.02 . 2 . . . A 3 GLU HG2 . 17607 1 20 . 1 1 3 3 GLU CA C 13 54.3190 0.3 . 1 . . . A 3 GLU CA . 17607 1 21 . 1 1 3 3 GLU CB C 13 29.8180 0.3 . 1 . . . A 3 GLU CB . 17607 1 22 . 1 1 3 3 GLU CG C 13 36.0600 0.3 . 1 . . . A 3 GLU CG . 17607 1 23 . 1 1 3 3 GLU N N 15 121.7770 0.3 . 1 . . . A 3 GLU N . 17607 1 24 . 1 1 4 4 PRO HA H 1 4.3700 0.02 . 1 . . . A 4 PRO HA . 17607 1 25 . 1 1 4 4 PRO HB2 H 1 1.9610 0.02 . 2 . . . A 4 PRO HB2 . 17607 1 26 . 1 1 4 4 PRO HB3 H 1 2.3040 0.02 . 2 . . . A 4 PRO HB3 . 17607 1 27 . 1 1 4 4 PRO HG2 H 1 2.0120 0.02 . 2 . . . A 4 PRO HG2 . 17607 1 28 . 1 1 4 4 PRO HG3 H 1 2.0760 0.02 . 2 . . . A 4 PRO HG3 . 17607 1 29 . 1 1 4 4 PRO HD2 H 1 3.5860 0.02 . 2 . . . A 4 PRO HD2 . 17607 1 30 . 1 1 4 4 PRO CA C 13 63.5760 0.3 . 1 . . . A 4 PRO CA . 17607 1 31 . 1 1 4 4 PRO CB C 13 32.2050 0.3 . 1 . . . A 4 PRO CB . 17607 1 32 . 1 1 4 4 PRO CG C 13 27.2270 0.3 . 1 . . . A 4 PRO CG . 17607 1 33 . 1 1 4 4 PRO CD C 13 49.6170 0.3 . 1 . . . A 4 PRO CD . 17607 1 34 . 1 1 5 5 ALA HA H 1 4.0380 0.02 . 1 . . . A 5 ALA HA . 17607 1 35 . 1 1 5 5 ALA HB1 H 1 1.4950 0.02 . 1 . . . A 5 ALA HB1 . 17607 1 36 . 1 1 5 5 ALA HB2 H 1 1.4950 0.02 . 1 . . . A 5 ALA HB2 . 17607 1 37 . 1 1 5 5 ALA HB3 H 1 1.4950 0.02 . 1 . . . A 5 ALA HB3 . 17607 1 38 . 1 1 5 5 ALA C C 13 175.5440 0.3 . 1 . . . A 5 ALA C . 17607 1 39 . 1 1 5 5 ALA CA C 13 54.5050 0.3 . 1 . . . A 5 ALA CA . 17607 1 40 . 1 1 5 5 ALA CB C 13 19.5460 0.3 . 1 . . . A 5 ALA CB . 17607 1 41 . 1 1 6 6 TYR H H 1 6.9320 0.02 . 1 . . . A 6 TYR H . 17607 1 42 . 1 1 6 6 TYR HA H 1 4.6470 0.02 . 1 . . . A 6 TYR HA . 17607 1 43 . 1 1 6 6 TYR HB2 H 1 3.0800 0.02 . 2 . . . A 6 TYR HB2 . 17607 1 44 . 1 1 6 6 TYR HB3 H 1 2.8050 0.02 . 2 . . . A 6 TYR HB3 . 17607 1 45 . 1 1 6 6 TYR HD1 H 1 6.8800 0.02 . 1 . . . A 6 TYR HD1 . 17607 1 46 . 1 1 6 6 TYR HD2 H 1 6.8800 0.02 . 1 . . . A 6 TYR HD2 . 17607 1 47 . 1 1 6 6 TYR HE1 H 1 6.7300 0.02 . 1 . . . A 6 TYR HE1 . 17607 1 48 . 1 1 6 6 TYR HE2 H 1 6.7300 0.02 . 1 . . . A 6 TYR HE2 . 17607 1 49 . 1 1 6 6 TYR C C 13 173.3490 0.3 . 1 . . . A 6 TYR C . 17607 1 50 . 1 1 6 6 TYR CA C 13 55.2690 0.3 . 1 . . . A 6 TYR CA . 17607 1 51 . 1 1 6 6 TYR CB C 13 39.1250 0.3 . 1 . . . A 6 TYR CB . 17607 1 52 . 1 1 6 6 TYR CD1 C 13 133.6590 0.3 . 1 . . . A 6 TYR CD1 . 17607 1 53 . 1 1 6 6 TYR CD2 C 13 133.6590 0.3 . 1 . . . A 6 TYR CD2 . 17607 1 54 . 1 1 6 6 TYR CE1 C 13 117.7470 0.3 . 1 . . . A 6 TYR CE1 . 17607 1 55 . 1 1 6 6 TYR CE2 C 13 117.7470 0.3 . 1 . . . A 6 TYR CE2 . 17607 1 56 . 1 1 6 6 TYR N N 15 107.9460 0.3 . 1 . . . A 6 TYR N . 17607 1 57 . 1 1 7 7 LEU H H 1 8.8630 0.02 . 1 . . . A 7 LEU H . 17607 1 58 . 1 1 7 7 LEU HA H 1 4.7160 0.02 . 1 . . . A 7 LEU HA . 17607 1 59 . 1 1 7 7 LEU HB2 H 1 1.5890 0.02 . 2 . . . A 7 LEU HB2 . 17607 1 60 . 1 1 7 7 LEU HG H 1 1.3360 0.02 . 1 . . . A 7 LEU HG . 17607 1 61 . 1 1 7 7 LEU HD11 H 1 0.2820 0.02 . 2 . . . A 7 LEU HD11 . 17607 1 62 . 1 1 7 7 LEU HD12 H 1 0.2820 0.02 . 2 . . . A 7 LEU HD12 . 17607 1 63 . 1 1 7 7 LEU HD13 H 1 0.2820 0.02 . 2 . . . A 7 LEU HD13 . 17607 1 64 . 1 1 7 7 LEU HD21 H 1 0.6710 0.02 . 2 . . . A 7 LEU HD21 . 17607 1 65 . 1 1 7 7 LEU HD22 H 1 0.6710 0.02 . 2 . . . A 7 LEU HD22 . 17607 1 66 . 1 1 7 7 LEU HD23 H 1 0.6710 0.02 . 2 . . . A 7 LEU HD23 . 17607 1 67 . 1 1 7 7 LEU C C 13 176.1120 0.3 . 1 . . . A 7 LEU C . 17607 1 68 . 1 1 7 7 LEU CA C 13 52.9140 0.3 . 1 . . . A 7 LEU CA . 17607 1 69 . 1 1 7 7 LEU CB C 13 43.1000 0.3 . 1 . . . A 7 LEU CB . 17607 1 70 . 1 1 7 7 LEU CG C 13 27.2670 0.3 . 1 . . . A 7 LEU CG . 17607 1 71 . 1 1 7 7 LEU CD1 C 13 25.8870 0.3 . 2 . . . A 7 LEU CD1 . 17607 1 72 . 1 1 7 7 LEU CD2 C 13 22.5610 0.3 . 2 . . . A 7 LEU CD2 . 17607 1 73 . 1 1 7 7 LEU N N 15 120.0200 0.3 . 1 . . . A 7 LEU N . 17607 1 74 . 1 1 8 8 THR H H 1 7.4120 0.02 . 1 . . . A 8 THR H . 17607 1 75 . 1 1 8 8 THR HA H 1 4.7430 0.02 . 1 . . . A 8 THR HA . 17607 1 76 . 1 1 8 8 THR HB H 1 4.3130 0.02 . 1 . . . A 8 THR HB . 17607 1 77 . 1 1 8 8 THR HG21 H 1 1.2440 0.02 . 1 . . . A 8 THR HG21 . 17607 1 78 . 1 1 8 8 THR HG22 H 1 1.2440 0.02 . 1 . . . A 8 THR HG22 . 17607 1 79 . 1 1 8 8 THR HG23 H 1 1.2440 0.02 . 1 . . . A 8 THR HG23 . 17607 1 80 . 1 1 8 8 THR C C 13 177.1720 0.3 . 1 . . . A 8 THR C . 17607 1 81 . 1 1 8 8 THR CA C 13 59.7160 0.3 . 1 . . . A 8 THR CA . 17607 1 82 . 1 1 8 8 THR CB C 13 71.7772 0.3 . 1 . . . A 8 THR CB . 17607 1 83 . 1 1 8 8 THR CG2 C 13 22.3290 0.3 . 1 . . . A 8 THR CG2 . 17607 1 84 . 1 1 8 8 THR N N 15 106.3360 0.3 . 1 . . . A 8 THR N . 17607 1 85 . 1 1 9 9 VAL H H 1 8.8130 0.02 . 1 . . . A 9 VAL H . 17607 1 86 . 1 1 9 9 VAL HA H 1 3.3200 0.02 . 1 . . . A 9 VAL HA . 17607 1 87 . 1 1 9 9 VAL HB H 1 1.9990 0.02 . 1 . . . A 9 VAL HB . 17607 1 88 . 1 1 9 9 VAL HG11 H 1 1.0080 0.02 . 2 . . . A 9 VAL HG11 . 17607 1 89 . 1 1 9 9 VAL HG12 H 1 1.0080 0.02 . 2 . . . A 9 VAL HG12 . 17607 1 90 . 1 1 9 9 VAL HG13 H 1 1.0080 0.02 . 2 . . . A 9 VAL HG13 . 17607 1 91 . 1 1 9 9 VAL HG21 H 1 1.0800 0.02 . 2 . . . A 9 VAL HG21 . 17607 1 92 . 1 1 9 9 VAL HG22 H 1 1.0800 0.02 . 2 . . . A 9 VAL HG22 . 17607 1 93 . 1 1 9 9 VAL HG23 H 1 1.0800 0.02 . 2 . . . A 9 VAL HG23 . 17607 1 94 . 1 1 9 9 VAL C C 13 176.6300 0.3 . 1 . . . A 9 VAL C . 17607 1 95 . 1 1 9 9 VAL CA C 13 65.4820 0.3 . 1 . . . A 9 VAL CA . 17607 1 96 . 1 1 9 9 VAL CB C 13 32.0410 0.3 . 1 . . . A 9 VAL CB . 17607 1 97 . 1 1 9 9 VAL CG1 C 13 21.4340 0.3 . 2 . . . A 9 VAL CG1 . 17607 1 98 . 1 1 9 9 VAL CG2 C 13 23.1170 0.3 . 2 . . . A 9 VAL CG2 . 17607 1 99 . 1 1 9 9 VAL N N 15 122.9800 0.3 . 1 . . . A 9 VAL N . 17607 1 100 . 1 1 10 10 GLY H H 1 9.1130 0.02 . 1 . . . A 10 GLY H . 17607 1 101 . 1 1 10 10 GLY HA2 H 1 4.4530 0.02 . 2 . . . A 10 GLY HA2 . 17607 1 102 . 1 1 10 10 GLY HA3 H 1 3.5550 0.02 . 2 . . . A 10 GLY HA3 . 17607 1 103 . 1 1 10 10 GLY C C 13 174.3750 0.3 . 1 . . . A 10 GLY C . 17607 1 104 . 1 1 10 10 GLY CA C 13 44.5610 0.3 . 1 . . . A 10 GLY CA . 17607 1 105 . 1 1 10 10 GLY N N 15 115.1270 0.3 . 1 . . . A 10 GLY N . 17607 1 106 . 1 1 11 11 THR H H 1 7.5720 0.02 . 1 . . . A 11 THR H . 17607 1 107 . 1 1 11 11 THR HA H 1 5.1560 0.02 . 1 . . . A 11 THR HA . 17607 1 108 . 1 1 11 11 THR HB H 1 3.9640 0.02 . 1 . . . A 11 THR HB . 17607 1 109 . 1 1 11 11 THR HG21 H 1 1.2060 0.02 . 1 . . . A 11 THR HG21 . 17607 1 110 . 1 1 11 11 THR HG22 H 1 1.2060 0.02 . 1 . . . A 11 THR HG22 . 17607 1 111 . 1 1 11 11 THR HG23 H 1 1.2060 0.02 . 1 . . . A 11 THR HG23 . 17607 1 112 . 1 1 11 11 THR C C 13 173.9660 0.3 . 1 . . . A 11 THR C . 17607 1 113 . 1 1 11 11 THR CA C 13 64.6580 0.3 . 1 . . . A 11 THR CA . 17607 1 114 . 1 1 11 11 THR CB C 13 69.4128 0.3 . 1 . . . A 11 THR CB . 17607 1 115 . 1 1 11 11 THR CG2 C 13 21.5320 0.3 . 1 . . . A 11 THR CG2 . 17607 1 116 . 1 1 11 11 THR N N 15 117.5140 0.3 . 1 . . . A 11 THR N . 17607 1 117 . 1 1 12 12 ASP H H 1 8.6100 0.02 . 1 . . . A 12 ASP H . 17607 1 118 . 1 1 12 12 ASP HA H 1 5.1360 0.02 . 1 . . . A 12 ASP HA . 17607 1 119 . 1 1 12 12 ASP HB2 H 1 2.7890 0.02 . 2 . . . A 12 ASP HB2 . 17607 1 120 . 1 1 12 12 ASP HB3 H 1 2.5650 0.02 . 2 . . . A 12 ASP HB3 . 17607 1 121 . 1 1 12 12 ASP C C 13 173.2500 0.3 . 1 . . . A 12 ASP C . 17607 1 122 . 1 1 12 12 ASP CA C 13 54.9390 0.3 . 1 . . . A 12 ASP CA . 17607 1 123 . 1 1 12 12 ASP CB C 13 41.7600 0.3 . 1 . . . A 12 ASP CB . 17607 1 124 . 1 1 12 12 ASP N N 15 127.3210 0.3 . 1 . . . A 12 ASP N . 17607 1 125 . 1 1 13 13 VAL H H 1 8.7660 0.02 . 1 . . . A 13 VAL H . 17607 1 126 . 1 1 13 13 VAL HA H 1 5.0020 0.02 . 1 . . . A 13 VAL HA . 17607 1 127 . 1 1 13 13 VAL HB H 1 2.0850 0.02 . 1 . . . A 13 VAL HB . 17607 1 128 . 1 1 13 13 VAL HG11 H 1 0.6510 0.02 . 1 . . . A 13 VAL HG11 . 17607 1 129 . 1 1 13 13 VAL HG12 H 1 0.6510 0.02 . 1 . . . A 13 VAL HG12 . 17607 1 130 . 1 1 13 13 VAL HG13 H 1 0.6510 0.02 . 1 . . . A 13 VAL HG13 . 17607 1 131 . 1 1 13 13 VAL HG21 H 1 0.4350 0.02 . 1 . . . A 13 VAL HG21 . 17607 1 132 . 1 1 13 13 VAL HG22 H 1 0.4350 0.02 . 1 . . . A 13 VAL HG22 . 17607 1 133 . 1 1 13 13 VAL HG23 H 1 0.4350 0.02 . 1 . . . A 13 VAL HG23 . 17607 1 134 . 1 1 13 13 VAL C C 13 174.5160 0.3 . 1 . . . A 13 VAL C . 17607 1 135 . 1 1 13 13 VAL CA C 13 58.8070 0.3 . 1 . . . A 13 VAL CA . 17607 1 136 . 1 1 13 13 VAL CB C 13 36.3670 0.3 . 1 . . . A 13 VAL CB . 17607 1 137 . 1 1 13 13 VAL CG1 C 13 22.7270 0.3 . 1 . . . A 13 VAL CG1 . 17607 1 138 . 1 1 13 13 VAL CG2 C 13 18.0910 0.3 . 1 . . . A 13 VAL CG2 . 17607 1 139 . 1 1 13 13 VAL N N 15 115.5800 0.3 . 1 . . . A 13 VAL N . 17607 1 140 . 1 1 14 14 SER H H 1 8.8110 0.02 . 1 . . . A 14 SER H . 17607 1 141 . 1 1 14 14 SER HA H 1 5.3430 0.02 . 1 . . . A 14 SER HA . 17607 1 142 . 1 1 14 14 SER HB3 H 1 3.5860 0.02 . 2 . . . A 14 SER HB3 . 17607 1 143 . 1 1 14 14 SER C C 13 173.4220 0.3 . 1 . . . A 14 SER C . 17607 1 144 . 1 1 14 14 SER CA C 13 57.5140 0.3 . 1 . . . A 14 SER CA . 17607 1 145 . 1 1 14 14 SER CB C 13 64.9210 0.3 . 1 . . . A 14 SER CB . 17607 1 146 . 1 1 14 14 SER N N 15 115.0270 0.3 . 1 . . . A 14 SER N . 17607 1 147 . 1 1 15 15 ALA H H 1 9.2450 0.02 . 1 . . . A 15 ALA H . 17607 1 148 . 1 1 15 15 ALA HA H 1 5.1490 0.02 . 1 . . . A 15 ALA HA . 17607 1 149 . 1 1 15 15 ALA HB1 H 1 1.2910 0.02 . 1 . . . A 15 ALA HB1 . 17607 1 150 . 1 1 15 15 ALA HB2 H 1 1.2910 0.02 . 1 . . . A 15 ALA HB2 . 17607 1 151 . 1 1 15 15 ALA HB3 H 1 1.2910 0.02 . 1 . . . A 15 ALA HB3 . 17607 1 152 . 1 1 15 15 ALA C C 13 175.8450 0.3 . 1 . . . A 15 ALA C . 17607 1 153 . 1 1 15 15 ALA CA C 13 50.6740 0.3 . 1 . . . A 15 ALA CA . 17607 1 154 . 1 1 15 15 ALA CB C 13 23.0370 0.3 . 1 . . . A 15 ALA CB . 17607 1 155 . 1 1 15 15 ALA N N 15 125.4800 0.3 . 1 . . . A 15 ALA N . 17607 1 156 . 1 1 16 16 LYS H H 1 8.7840 0.02 . 1 . . . A 16 LYS H . 17607 1 157 . 1 1 16 16 LYS HA H 1 4.0580 0.02 . 1 . . . A 16 LYS HA . 17607 1 158 . 1 1 16 16 LYS HB2 H 1 1.5580 0.02 . 2 . . . A 16 LYS HB2 . 17607 1 159 . 1 1 16 16 LYS HB3 H 1 1.2190 0.02 . 2 . . . A 16 LYS HB3 . 17607 1 160 . 1 1 16 16 LYS HG2 H 1 0.7180 0.02 . 2 . . . A 16 LYS HG2 . 17607 1 161 . 1 1 16 16 LYS HG3 H 1 0.8750 0.02 . 2 . . . A 16 LYS HG3 . 17607 1 162 . 1 1 16 16 LYS HD2 H 1 1.2810 0.02 . 2 . . . A 16 LYS HD2 . 17607 1 163 . 1 1 16 16 LYS HE2 H 1 2.5810 0.02 . 2 . . . A 16 LYS HE2 . 17607 1 164 . 1 1 16 16 LYS C C 13 175.7470 0.3 . 1 . . . A 16 LYS C . 17607 1 165 . 1 1 16 16 LYS CA C 13 56.7630 0.3 . 1 . . . A 16 LYS CA . 17607 1 166 . 1 1 16 16 LYS CB C 13 32.0220 0.3 . 1 . . . A 16 LYS CB . 17607 1 167 . 1 1 16 16 LYS CG C 13 24.7350 0.3 . 1 . . . A 16 LYS CG . 17607 1 168 . 1 1 16 16 LYS CD C 13 28.8710 0.3 . 1 . . . A 16 LYS CD . 17607 1 169 . 1 1 16 16 LYS CE C 13 41.6680 0.3 . 1 . . . A 16 LYS CE . 17607 1 170 . 1 1 16 16 LYS N N 15 123.2890 0.3 . 1 . . . A 16 LYS N . 17607 1 171 . 1 1 17 17 TYR H H 1 8.9200 0.02 . 1 . . . A 17 TYR H . 17607 1 172 . 1 1 17 17 TYR HA H 1 4.4590 0.02 . 1 . . . A 17 TYR HA . 17607 1 173 . 1 1 17 17 TYR HB3 H 1 2.4800 0.02 . 2 . . . A 17 TYR HB3 . 17607 1 174 . 1 1 17 17 TYR HD1 H 1 6.6340 0.02 . 1 . . . A 17 TYR HD1 . 17607 1 175 . 1 1 17 17 TYR HD2 H 1 6.6340 0.02 . 1 . . . A 17 TYR HD2 . 17607 1 176 . 1 1 17 17 TYR HE1 H 1 6.5740 0.02 . 1 . . . A 17 TYR HE1 . 17607 1 177 . 1 1 17 17 TYR HE2 H 1 6.5740 0.02 . 1 . . . A 17 TYR HE2 . 17607 1 178 . 1 1 17 17 TYR C C 13 175.7380 0.3 . 1 . . . A 17 TYR C . 17607 1 179 . 1 1 17 17 TYR CA C 13 57.3450 0.3 . 1 . . . A 17 TYR CA . 17607 1 180 . 1 1 17 17 TYR CB C 13 40.3960 0.3 . 1 . . . A 17 TYR CB . 17607 1 181 . 1 1 17 17 TYR CD1 C 13 132.3800 0.3 . 1 . . . A 17 TYR CD1 . 17607 1 182 . 1 1 17 17 TYR CD2 C 13 132.3800 0.3 . 1 . . . A 17 TYR CD2 . 17607 1 183 . 1 1 17 17 TYR CE1 C 13 117.7200 0.3 . 1 . . . A 17 TYR CE1 . 17607 1 184 . 1 1 17 17 TYR CE2 C 13 117.7200 0.3 . 1 . . . A 17 TYR CE2 . 17607 1 185 . 1 1 17 17 TYR N N 15 127.5360 0.3 . 1 . . . A 17 TYR N . 17607 1 186 . 1 1 18 18 ARG H H 1 8.8620 0.02 . 1 . . . A 18 ARG H . 17607 1 187 . 1 1 18 18 ARG HA H 1 3.5400 0.02 . 1 . . . A 18 ARG HA . 17607 1 188 . 1 1 18 18 ARG HB2 H 1 1.6450 0.02 . 2 . . . A 18 ARG HB2 . 17607 1 189 . 1 1 18 18 ARG HB3 H 1 1.3890 0.02 . 2 . . . A 18 ARG HB3 . 17607 1 190 . 1 1 18 18 ARG HG2 H 1 0.2730 0.02 . 2 . . . A 18 ARG HG2 . 17607 1 191 . 1 1 18 18 ARG HG3 H 1 0.9420 0.02 . 2 . . . A 18 ARG HG3 . 17607 1 192 . 1 1 18 18 ARG HD2 H 1 2.8030 0.02 . 2 . . . A 18 ARG HD2 . 17607 1 193 . 1 1 18 18 ARG CA C 13 56.9730 0.3 . 1 . . . A 18 ARG CA . 17607 1 194 . 1 1 18 18 ARG CB C 13 27.4700 0.3 . 1 . . . A 18 ARG CB . 17607 1 195 . 1 1 18 18 ARG CG C 13 26.8750 0.3 . 1 . . . A 18 ARG CG . 17607 1 196 . 1 1 18 18 ARG CD C 13 43.7750 0.3 . 1 . . . A 18 ARG CD . 17607 1 197 . 1 1 18 18 ARG N N 15 125.3910 0.3 . 1 . . . A 18 ARG N . 17607 1 198 . 1 1 19 19 GLY H H 1 8.4210 0.02 . 1 . . . A 19 GLY H . 17607 1 199 . 1 1 19 19 GLY HA2 H 1 3.4660 0.02 . 2 . . . A 19 GLY HA2 . 17607 1 200 . 1 1 19 19 GLY HA3 H 1 4.0860 0.02 . 2 . . . A 19 GLY HA3 . 17607 1 201 . 1 1 19 19 GLY C C 13 173.2410 0.3 . 1 . . . A 19 GLY C . 17607 1 202 . 1 1 19 19 GLY CA C 13 45.5550 0.3 . 1 . . . A 19 GLY CA . 17607 1 203 . 1 1 19 19 GLY N N 15 103.8030 0.3 . 1 . . . A 19 GLY N . 17607 1 204 . 1 1 20 20 ALA H H 1 7.6280 0.02 . 1 . . . A 20 ALA H . 17607 1 205 . 1 1 20 20 ALA HA H 1 4.6790 0.02 . 1 . . . A 20 ALA HA . 17607 1 206 . 1 1 20 20 ALA HB1 H 1 1.3750 0.02 . 1 . . . A 20 ALA HB1 . 17607 1 207 . 1 1 20 20 ALA HB2 H 1 1.3750 0.02 . 1 . . . A 20 ALA HB2 . 17607 1 208 . 1 1 20 20 ALA HB3 H 1 1.3750 0.02 . 1 . . . A 20 ALA HB3 . 17607 1 209 . 1 1 20 20 ALA C C 13 175.9250 0.3 . 1 . . . A 20 ALA C . 17607 1 210 . 1 1 20 20 ALA CA C 13 50.5960 0.3 . 1 . . . A 20 ALA CA . 17607 1 211 . 1 1 20 20 ALA CB C 13 21.8420 0.3 . 1 . . . A 20 ALA CB . 17607 1 212 . 1 1 20 20 ALA N N 15 123.3450 0.3 . 1 . . . A 20 ALA N . 17607 1 213 . 1 1 21 21 PHE H H 1 8.8250 0.02 . 1 . . . A 21 PHE H . 17607 1 214 . 1 1 21 21 PHE HA H 1 4.6830 0.02 . 1 . . . A 21 PHE HA . 17607 1 215 . 1 1 21 21 PHE HB2 H 1 2.8160 0.02 . 2 . . . A 21 PHE HB2 . 17607 1 216 . 1 1 21 21 PHE HB3 H 1 2.8680 0.02 . 2 . . . A 21 PHE HB3 . 17607 1 217 . 1 1 21 21 PHE HD1 H 1 7.0490 0.02 . 1 . . . A 21 PHE HD1 . 17607 1 218 . 1 1 21 21 PHE HD2 H 1 7.0490 0.02 . 1 . . . A 21 PHE HD2 . 17607 1 219 . 1 1 21 21 PHE HE1 H 1 7.2850 0.02 . 1 . . . A 21 PHE HE1 . 17607 1 220 . 1 1 21 21 PHE HE2 H 1 7.2850 0.02 . 1 . . . A 21 PHE HE2 . 17607 1 221 . 1 1 21 21 PHE C C 13 176.5340 0.3 . 1 . . . A 21 PHE C . 17607 1 222 . 1 1 21 21 PHE CA C 13 59.6400 0.3 . 1 . . . A 21 PHE CA . 17607 1 223 . 1 1 21 21 PHE CB C 13 39.5260 0.3 . 1 . . . A 21 PHE CB . 17607 1 224 . 1 1 21 21 PHE CD1 C 13 131.5260 0.3 . 1 . . . A 21 PHE CD1 . 17607 1 225 . 1 1 21 21 PHE CD2 C 13 131.5260 0.3 . 1 . . . A 21 PHE CD2 . 17607 1 226 . 1 1 21 21 PHE CE1 C 13 131.6980 0.3 . 1 . . . A 21 PHE CE1 . 17607 1 227 . 1 1 21 21 PHE CE2 C 13 131.6980 0.3 . 1 . . . A 21 PHE CE2 . 17607 1 228 . 1 1 21 21 PHE N N 15 120.4810 0.3 . 1 . . . A 21 PHE N . 17607 1 229 . 1 1 22 22 CYS H H 1 9.1900 0.02 . 1 . . . A 22 CYS H . 17607 1 230 . 1 1 22 22 CYS HA H 1 4.9330 0.02 . 1 . . . A 22 CYS HA . 17607 1 231 . 1 1 22 22 CYS HB2 H 1 2.9770 0.02 . 2 . . . A 22 CYS HB2 . 17607 1 232 . 1 1 22 22 CYS HB3 H 1 3.2300 0.02 . 2 . . . A 22 CYS HB3 . 17607 1 233 . 1 1 22 22 CYS C C 13 173.4420 0.3 . 1 . . . A 22 CYS C . 17607 1 234 . 1 1 22 22 CYS CA C 13 57.9480 0.3 . 1 . . . A 22 CYS CA . 17607 1 235 . 1 1 22 22 CYS CB C 13 31.7960 0.3 . 1 . . . A 22 CYS CB . 17607 1 236 . 1 1 22 22 CYS N N 15 123.4070 0.3 . 1 . . . A 22 CYS N . 17607 1 237 . 1 1 23 23 GLU H H 1 8.8590 0.02 . 1 . . . A 23 GLU H . 17607 1 238 . 1 1 23 23 GLU HA H 1 4.6690 0.02 . 1 . . . A 23 GLU HA . 17607 1 239 . 1 1 23 23 GLU HB2 H 1 2.1300 0.02 . 2 . . . A 23 GLU HB2 . 17607 1 240 . 1 1 23 23 GLU HB3 H 1 2.0580 0.02 . 2 . . . A 23 GLU HB3 . 17607 1 241 . 1 1 23 23 GLU HG2 H 1 2.3500 0.02 . 2 . . . A 23 GLU HG2 . 17607 1 242 . 1 1 23 23 GLU HG3 H 1 2.4360 0.02 . 2 . . . A 23 GLU HG3 . 17607 1 243 . 1 1 23 23 GLU C C 13 175.7770 0.3 . 1 . . . A 23 GLU C . 17607 1 244 . 1 1 23 23 GLU CA C 13 57.3360 0.3 . 1 . . . A 23 GLU CA . 17607 1 245 . 1 1 23 23 GLU CB C 13 30.4040 0.3 . 1 . . . A 23 GLU CB . 17607 1 246 . 1 1 23 23 GLU CG C 13 36.9570 0.3 . 1 . . . A 23 GLU CG . 17607 1 247 . 1 1 23 23 GLU N N 15 122.5840 0.3 . 1 . . . A 23 GLU N . 17607 1 248 . 1 1 24 24 ALA H H 1 9.0280 0.02 . 1 . . . A 24 ALA H . 17607 1 249 . 1 1 24 24 ALA HA H 1 4.7740 0.02 . 1 . . . A 24 ALA HA . 17607 1 250 . 1 1 24 24 ALA HB1 H 1 0.5190 0.02 . 1 . . . A 24 ALA HB1 . 17607 1 251 . 1 1 24 24 ALA HB2 H 1 0.5190 0.02 . 1 . . . A 24 ALA HB2 . 17607 1 252 . 1 1 24 24 ALA HB3 H 1 0.5190 0.02 . 1 . . . A 24 ALA HB3 . 17607 1 253 . 1 1 24 24 ALA C C 13 175.5970 0.3 . 1 . . . A 24 ALA C . 17607 1 254 . 1 1 24 24 ALA CA C 13 50.7320 0.3 . 1 . . . A 24 ALA CA . 17607 1 255 . 1 1 24 24 ALA CB C 13 23.1220 0.3 . 1 . . . A 24 ALA CB . 17607 1 256 . 1 1 24 24 ALA N N 15 124.2600 0.3 . 1 . . . A 24 ALA N . 17607 1 257 . 1 1 25 25 LYS H H 1 7.7750 0.02 . 1 . . . A 25 LYS H . 17607 1 258 . 1 1 25 25 LYS HA H 1 5.1980 0.02 . 1 . . . A 25 LYS HA . 17607 1 259 . 1 1 25 25 LYS HB2 H 1 1.4370 0.02 . 2 . . . A 25 LYS HB2 . 17607 1 260 . 1 1 25 25 LYS HB3 H 1 1.5460 0.02 . 2 . . . A 25 LYS HB3 . 17607 1 261 . 1 1 25 25 LYS HG2 H 1 1.3210 0.02 . 2 . . . A 25 LYS HG2 . 17607 1 262 . 1 1 25 25 LYS HD2 H 1 1.5360 0.02 . 2 . . . A 25 LYS HD2 . 17607 1 263 . 1 1 25 25 LYS HE2 H 1 2.9730 0.02 . 2 . . . A 25 LYS HE2 . 17607 1 264 . 1 1 25 25 LYS C C 13 177.3120 0.3 . 1 . . . A 25 LYS C . 17607 1 265 . 1 1 25 25 LYS CA C 13 54.4730 0.3 . 1 . . . A 25 LYS CA . 17607 1 266 . 1 1 25 25 LYS CB C 13 36.6230 0.3 . 1 . . . A 25 LYS CB . 17607 1 267 . 1 1 25 25 LYS CG C 13 24.4230 0.3 . 1 . . . A 25 LYS CG . 17607 1 268 . 1 1 25 25 LYS CD C 13 29.3390 0.3 . 1 . . . A 25 LYS CD . 17607 1 269 . 1 1 25 25 LYS CE C 13 41.5120 0.3 . 1 . . . A 25 LYS CE . 17607 1 270 . 1 1 25 25 LYS N N 15 117.8810 0.3 . 1 . . . A 25 LYS N . 17607 1 271 . 1 1 26 26 ILE H H 1 8.2630 0.02 . 1 . . . A 26 ILE H . 17607 1 272 . 1 1 26 26 ILE HA H 1 3.9310 0.02 . 1 . . . A 26 ILE HA . 17607 1 273 . 1 1 26 26 ILE HB H 1 2.0180 0.02 . 1 . . . A 26 ILE HB . 17607 1 274 . 1 1 26 26 ILE HG12 H 1 1.6340 0.02 . 2 . . . A 26 ILE HG12 . 17607 1 275 . 1 1 26 26 ILE HG13 H 1 0.8640 0.02 . 2 . . . A 26 ILE HG13 . 17607 1 276 . 1 1 26 26 ILE HG21 H 1 0.8660 0.02 . 1 . . . A 26 ILE HG21 . 17607 1 277 . 1 1 26 26 ILE HG22 H 1 0.8660 0.02 . 1 . . . A 26 ILE HG22 . 17607 1 278 . 1 1 26 26 ILE HG23 H 1 0.8660 0.02 . 1 . . . A 26 ILE HG23 . 17607 1 279 . 1 1 26 26 ILE HD11 H 1 0.5180 0.02 . 1 . . . A 26 ILE HD11 . 17607 1 280 . 1 1 26 26 ILE HD12 H 1 0.5180 0.02 . 1 . . . A 26 ILE HD12 . 17607 1 281 . 1 1 26 26 ILE HD13 H 1 0.5180 0.02 . 1 . . . A 26 ILE HD13 . 17607 1 282 . 1 1 26 26 ILE C C 13 175.5640 0.3 . 1 . . . A 26 ILE C . 17607 1 283 . 1 1 26 26 ILE CA C 13 63.2180 0.3 . 1 . . . A 26 ILE CA . 17607 1 284 . 1 1 26 26 ILE CB C 13 37.1610 0.3 . 1 . . . A 26 ILE CB . 17607 1 285 . 1 1 26 26 ILE CG1 C 13 27.8560 0.3 . 1 . . . A 26 ILE CG1 . 17607 1 286 . 1 1 26 26 ILE CG2 C 13 19.1170 0.3 . 1 . . . A 26 ILE CG2 . 17607 1 287 . 1 1 26 26 ILE CD1 C 13 13.9359 0.3 . 1 . . . A 26 ILE CD1 . 17607 1 288 . 1 1 26 26 ILE N N 15 121.3810 0.3 . 1 . . . A 26 ILE N . 17607 1 289 . 1 1 27 27 LYS H H 1 9.7890 0.02 . 1 . . . A 27 LYS H . 17607 1 290 . 1 1 27 27 LYS HA H 1 4.5070 0.02 . 1 . . . A 27 LYS HA . 17607 1 291 . 1 1 27 27 LYS HB2 H 1 1.7730 0.02 . 2 . . . A 27 LYS HB2 . 17607 1 292 . 1 1 27 27 LYS HB3 H 1 1.5360 0.02 . 2 . . . A 27 LYS HB3 . 17607 1 293 . 1 1 27 27 LYS HG2 H 1 1.4280 0.02 . 2 . . . A 27 LYS HG2 . 17607 1 294 . 1 1 27 27 LYS C C 13 175.3450 0.3 . 1 . . . A 27 LYS C . 17607 1 295 . 1 1 27 27 LYS CA C 13 57.9100 0.3 . 1 . . . A 27 LYS CA . 17607 1 296 . 1 1 27 27 LYS CB C 13 35.3900 0.3 . 1 . . . A 27 LYS CB . 17607 1 297 . 1 1 27 27 LYS CG C 13 24.5790 0.3 . 1 . . . A 27 LYS CG . 17607 1 298 . 1 1 27 27 LYS CE C 13 41.8240 0.3 . 1 . . . A 27 LYS CE . 17607 1 299 . 1 1 27 27 LYS N N 15 133.6220 0.3 . 1 . . . A 27 LYS N . 17607 1 300 . 1 1 28 28 THR H H 1 7.7520 0.02 . 1 . . . A 28 THR H . 17607 1 301 . 1 1 28 28 THR HA H 1 4.6190 0.02 . 1 . . . A 28 THR HA . 17607 1 302 . 1 1 28 28 THR HB H 1 3.8950 0.02 . 1 . . . A 28 THR HB . 17607 1 303 . 1 1 28 28 THR HG21 H 1 1.2050 0.02 . 1 . . . A 28 THR HG21 . 17607 1 304 . 1 1 28 28 THR HG22 H 1 1.2050 0.02 . 1 . . . A 28 THR HG22 . 17607 1 305 . 1 1 28 28 THR HG23 H 1 1.2050 0.02 . 1 . . . A 28 THR HG23 . 17607 1 306 . 1 1 28 28 THR C C 13 172.1600 0.3 . 1 . . . A 28 THR C . 17607 1 307 . 1 1 28 28 THR CA C 13 61.4080 0.3 . 1 . . . A 28 THR CA . 17607 1 308 . 1 1 28 28 THR CB C 13 72.2575 0.3 . 1 . . . A 28 THR CB . 17607 1 309 . 1 1 28 28 THR CG2 C 13 22.7840 0.3 . 1 . . . A 28 THR CG2 . 17607 1 310 . 1 1 28 28 THR N N 15 111.4110 0.3 . 1 . . . A 28 THR N . 17607 1 311 . 1 1 29 29 VAL H H 1 8.9510 0.02 . 1 . . . A 29 VAL H . 17607 1 312 . 1 1 29 29 VAL HA H 1 4.5190 0.02 . 1 . . . A 29 VAL HA . 17607 1 313 . 1 1 29 29 VAL HB H 1 2.0250 0.02 . 1 . . . A 29 VAL HB . 17607 1 314 . 1 1 29 29 VAL HG11 H 1 0.8030 0.02 . 1 . . . A 29 VAL HG11 . 17607 1 315 . 1 1 29 29 VAL HG12 H 1 0.8030 0.02 . 1 . . . A 29 VAL HG12 . 17607 1 316 . 1 1 29 29 VAL HG13 H 1 0.8030 0.02 . 1 . . . A 29 VAL HG13 . 17607 1 317 . 1 1 29 29 VAL HG21 H 1 1.0450 0.02 . 1 . . . A 29 VAL HG21 . 17607 1 318 . 1 1 29 29 VAL HG22 H 1 1.0450 0.02 . 1 . . . A 29 VAL HG22 . 17607 1 319 . 1 1 29 29 VAL HG23 H 1 1.0450 0.02 . 1 . . . A 29 VAL HG23 . 17607 1 320 . 1 1 29 29 VAL C C 13 175.0010 0.3 . 1 . . . A 29 VAL C . 17607 1 321 . 1 1 29 29 VAL CA C 13 61.4260 0.3 . 1 . . . A 29 VAL CA . 17607 1 322 . 1 1 29 29 VAL CB C 13 35.3600 0.3 . 1 . . . A 29 VAL CB . 17607 1 323 . 1 1 29 29 VAL CG1 C 13 19.9570 0.3 . 1 . . . A 29 VAL CG1 . 17607 1 324 . 1 1 29 29 VAL CG2 C 13 21.4580 0.3 . 1 . . . A 29 VAL CG2 . 17607 1 325 . 1 1 29 29 VAL N N 15 124.5420 0.3 . 1 . . . A 29 VAL N . 17607 1 326 . 1 1 30 30 LYS H H 1 8.5700 0.02 . 1 . . . A 30 LYS H . 17607 1 327 . 1 1 30 30 LYS HA H 1 4.6340 0.02 . 1 . . . A 30 LYS HA . 17607 1 328 . 1 1 30 30 LYS HB2 H 1 1.7390 0.02 . 2 . . . A 30 LYS HB2 . 17607 1 329 . 1 1 30 30 LYS HB3 H 1 1.9900 0.02 . 2 . . . A 30 LYS HB3 . 17607 1 330 . 1 1 30 30 LYS HG2 H 1 1.3950 0.02 . 2 . . . A 30 LYS HG2 . 17607 1 331 . 1 1 30 30 LYS C C 13 175.2530 0.3 . 1 . . . A 30 LYS C . 17607 1 332 . 1 1 30 30 LYS CA C 13 54.5490 0.3 . 1 . . . A 30 LYS CA . 17607 1 333 . 1 1 30 30 LYS CB C 13 32.4100 0.3 . 1 . . . A 30 LYS CB . 17607 1 334 . 1 1 30 30 LYS CG C 13 24.5010 0.3 . 1 . . . A 30 LYS CG . 17607 1 335 . 1 1 30 30 LYS CD C 13 27.1540 0.3 . 1 . . . A 30 LYS CD . 17607 1 336 . 1 1 30 30 LYS CE C 13 42.0580 0.3 . 1 . . . A 30 LYS CE . 17607 1 337 . 1 1 30 30 LYS N N 15 130.1310 0.3 . 1 . . . A 30 LYS N . 17607 1 338 . 1 1 31 31 ARG H H 1 8.5950 0.02 . 1 . . . A 31 ARG H . 17607 1 339 . 1 1 31 31 ARG HA H 1 4.0170 0.02 . 1 . . . A 31 ARG HA . 17607 1 340 . 1 1 31 31 ARG HB2 H 1 1.4140 0.02 . 2 . . . A 31 ARG HB2 . 17607 1 341 . 1 1 31 31 ARG HG2 H 1 1.5830 0.02 . 2 . . . A 31 ARG HG2 . 17607 1 342 . 1 1 31 31 ARG HD2 H 1 2.1900 0.02 . 2 . . . A 31 ARG HD2 . 17607 1 343 . 1 1 31 31 ARG HD3 H 1 2.2200 0.02 . 2 . . . A 31 ARG HD3 . 17607 1 344 . 1 1 31 31 ARG C C 13 176.4210 0.3 . 1 . . . A 31 ARG C . 17607 1 345 . 1 1 31 31 ARG CA C 13 56.7240 0.3 . 1 . . . A 31 ARG CA . 17607 1 346 . 1 1 31 31 ARG CB C 13 31.2260 0.3 . 1 . . . A 31 ARG CB . 17607 1 347 . 1 1 31 31 ARG CG C 13 26.9980 0.3 . 1 . . . A 31 ARG CG . 17607 1 348 . 1 1 31 31 ARG CD C 13 42.6040 0.3 . 1 . . . A 31 ARG CD . 17607 1 349 . 1 1 31 31 ARG N N 15 127.4650 0.3 . 1 . . . A 31 ARG N . 17607 1 350 . 1 1 32 32 LEU H H 1 8.6160 0.02 . 1 . . . A 32 LEU H . 17607 1 351 . 1 1 32 32 LEU HA H 1 4.3590 0.02 . 1 . . . A 32 LEU HA . 17607 1 352 . 1 1 32 32 LEU HB2 H 1 1.5350 0.02 . 2 . . . A 32 LEU HB2 . 17607 1 353 . 1 1 32 32 LEU HG H 1 1.3390 0.02 . 1 . . . A 32 LEU HG . 17607 1 354 . 1 1 32 32 LEU HD11 H 1 0.8660 0.02 . 2 . . . A 32 LEU HD11 . 17607 1 355 . 1 1 32 32 LEU HD12 H 1 0.8660 0.02 . 2 . . . A 32 LEU HD12 . 17607 1 356 . 1 1 32 32 LEU HD13 H 1 0.8660 0.02 . 2 . . . A 32 LEU HD13 . 17607 1 357 . 1 1 32 32 LEU HD21 H 1 0.9400 0.02 . 2 . . . A 32 LEU HD21 . 17607 1 358 . 1 1 32 32 LEU HD22 H 1 0.9400 0.02 . 2 . . . A 32 LEU HD22 . 17607 1 359 . 1 1 32 32 LEU HD23 H 1 0.9400 0.02 . 2 . . . A 32 LEU HD23 . 17607 1 360 . 1 1 32 32 LEU C C 13 173.0770 0.3 . 1 . . . A 32 LEU C . 17607 1 361 . 1 1 32 32 LEU CA C 13 56.6370 0.3 . 1 . . . A 32 LEU CA . 17607 1 362 . 1 1 32 32 LEU CB C 13 43.3330 0.3 . 1 . . . A 32 LEU CB . 17607 1 363 . 1 1 32 32 LEU CG C 13 28.2000 0.3 . 1 . . . A 32 LEU CG . 17607 1 364 . 1 1 32 32 LEU CD1 C 13 25.0470 0.3 . 2 . . . A 32 LEU CD1 . 17607 1 365 . 1 1 32 32 LEU CD2 C 13 23.8230 0.3 . 2 . . . A 32 LEU CD2 . 17607 1 366 . 1 1 32 32 LEU N N 15 131.0590 0.3 . 1 . . . A 32 LEU N . 17607 1 367 . 1 1 33 33 VAL H H 1 9.0380 0.02 . 1 . . . A 33 VAL H . 17607 1 368 . 1 1 33 33 VAL HA H 1 4.7910 0.02 . 1 . . . A 33 VAL HA . 17607 1 369 . 1 1 33 33 VAL HB H 1 1.9200 0.02 . 1 . . . A 33 VAL HB . 17607 1 370 . 1 1 33 33 VAL HG11 H 1 0.8740 0.02 . 2 . . . A 33 VAL HG11 . 17607 1 371 . 1 1 33 33 VAL HG12 H 1 0.8740 0.02 . 2 . . . A 33 VAL HG12 . 17607 1 372 . 1 1 33 33 VAL HG13 H 1 0.8740 0.02 . 2 . . . A 33 VAL HG13 . 17607 1 373 . 1 1 33 33 VAL C C 13 175.1230 0.3 . 1 . . . A 33 VAL C . 17607 1 374 . 1 1 33 33 VAL CA C 13 60.6560 0.3 . 1 . . . A 33 VAL CA . 17607 1 375 . 1 1 33 33 VAL CB C 13 34.2050 0.3 . 1 . . . A 33 VAL CB . 17607 1 376 . 1 1 33 33 VAL CG1 C 13 21.7370 0.3 . 2 . . . A 33 VAL CG1 . 17607 1 377 . 1 1 33 33 VAL N N 15 127.1210 0.3 . 1 . . . A 33 VAL N . 17607 1 378 . 1 1 34 34 LYS H H 1 8.9600 0.02 . 1 . . . A 34 LYS H . 17607 1 379 . 1 1 34 34 LYS HA H 1 4.6600 0.02 . 1 . . . A 34 LYS HA . 17607 1 380 . 1 1 34 34 LYS HB3 H 1 1.7340 0.02 . 2 . . . A 34 LYS HB3 . 17607 1 381 . 1 1 34 34 LYS C C 13 175.6690 0.3 . 1 . . . A 34 LYS C . 17607 1 382 . 1 1 34 34 LYS CA C 13 55.1870 0.3 . 1 . . . A 34 LYS CA . 17607 1 383 . 1 1 34 34 LYS CB C 13 33.1570 0.3 . 1 . . . A 34 LYS CB . 17607 1 384 . 1 1 34 34 LYS N N 15 125.6900 0.3 . 1 . . . A 34 LYS N . 17607 1 385 . 1 1 35 35 VAL H H 1 9.3190 0.02 . 1 . . . A 35 VAL H . 17607 1 386 . 1 1 35 35 VAL HA H 1 4.4910 0.02 . 1 . . . A 35 VAL HA . 17607 1 387 . 1 1 35 35 VAL HB H 1 1.9860 0.02 . 1 . . . A 35 VAL HB . 17607 1 388 . 1 1 35 35 VAL HG11 H 1 0.7500 0.02 . 1 . . . A 35 VAL HG11 . 17607 1 389 . 1 1 35 35 VAL HG12 H 1 0.7500 0.02 . 1 . . . A 35 VAL HG12 . 17607 1 390 . 1 1 35 35 VAL HG13 H 1 0.7500 0.02 . 1 . . . A 35 VAL HG13 . 17607 1 391 . 1 1 35 35 VAL HG21 H 1 0.6960 0.02 . 1 . . . A 35 VAL HG21 . 17607 1 392 . 1 1 35 35 VAL HG22 H 1 0.6960 0.02 . 1 . . . A 35 VAL HG22 . 17607 1 393 . 1 1 35 35 VAL HG23 H 1 0.6960 0.02 . 1 . . . A 35 VAL HG23 . 17607 1 394 . 1 1 35 35 VAL C C 13 174.0800 0.3 . 1 . . . A 35 VAL C . 17607 1 395 . 1 1 35 35 VAL CA C 13 61.1350 0.3 . 1 . . . A 35 VAL CA . 17607 1 396 . 1 1 35 35 VAL CB C 13 33.0200 0.3 . 1 . . . A 35 VAL CB . 17607 1 397 . 1 1 35 35 VAL CG1 C 13 22.8620 0.3 . 1 . . . A 35 VAL CG1 . 17607 1 398 . 1 1 35 35 VAL CG2 C 13 20.1310 0.3 . 1 . . . A 35 VAL CG2 . 17607 1 399 . 1 1 35 35 VAL N N 15 127.0840 0.3 . 1 . . . A 35 VAL N . 17607 1 400 . 1 1 36 36 LYS H H 1 8.9750 0.02 . 1 . . . A 36 LYS H . 17607 1 401 . 1 1 36 36 LYS HA H 1 5.1680 0.02 . 1 . . . A 36 LYS HA . 17607 1 402 . 1 1 36 36 LYS HB2 H 1 1.8340 0.02 . 2 . . . A 36 LYS HB2 . 17607 1 403 . 1 1 36 36 LYS HB3 H 1 1.5820 0.02 . 2 . . . A 36 LYS HB3 . 17607 1 404 . 1 1 36 36 LYS C C 13 176.2060 0.3 . 1 . . . A 36 LYS C . 17607 1 405 . 1 1 36 36 LYS CA C 13 55.3800 0.3 . 1 . . . A 36 LYS CA . 17607 1 406 . 1 1 36 36 LYS CB C 13 34.4320 0.3 . 1 . . . A 36 LYS CB . 17607 1 407 . 1 1 36 36 LYS N N 15 129.4210 0.3 . 1 . . . A 36 LYS N . 17607 1 408 . 1 1 37 37 VAL H H 1 9.2420 0.02 . 1 . . . A 37 VAL H . 17607 1 409 . 1 1 37 37 VAL HA H 1 5.3170 0.02 . 1 . . . A 37 VAL HA . 17607 1 410 . 1 1 37 37 VAL HB H 1 1.8490 0.02 . 1 . . . A 37 VAL HB . 17607 1 411 . 1 1 37 37 VAL HG11 H 1 0.7480 0.02 . 2 . . . A 37 VAL HG11 . 17607 1 412 . 1 1 37 37 VAL HG12 H 1 0.7480 0.02 . 2 . . . A 37 VAL HG12 . 17607 1 413 . 1 1 37 37 VAL HG13 H 1 0.7480 0.02 . 2 . . . A 37 VAL HG13 . 17607 1 414 . 1 1 37 37 VAL HG21 H 1 0.6430 0.02 . 2 . . . A 37 VAL HG21 . 17607 1 415 . 1 1 37 37 VAL HG22 H 1 0.6430 0.02 . 2 . . . A 37 VAL HG22 . 17607 1 416 . 1 1 37 37 VAL HG23 H 1 0.6430 0.02 . 2 . . . A 37 VAL HG23 . 17607 1 417 . 1 1 37 37 VAL C C 13 173.7160 0.3 . 1 . . . A 37 VAL C . 17607 1 418 . 1 1 37 37 VAL CA C 13 58.1330 0.3 . 1 . . . A 37 VAL CA . 17607 1 419 . 1 1 37 37 VAL CB C 13 35.0470 0.3 . 1 . . . A 37 VAL CB . 17607 1 420 . 1 1 37 37 VAL CG1 C 13 18.5700 0.3 . 2 . . . A 37 VAL CG1 . 17607 1 421 . 1 1 37 37 VAL CG2 C 13 22.2380 0.3 . 2 . . . A 37 VAL CG2 . 17607 1 422 . 1 1 37 37 VAL N N 15 120.0900 0.3 . 1 . . . A 37 VAL N . 17607 1 423 . 1 1 38 38 LEU H H 1 8.9490 0.02 . 1 . . . A 38 LEU H . 17607 1 424 . 1 1 38 38 LEU HA H 1 4.9530 0.02 . 1 . . . A 38 LEU HA . 17607 1 425 . 1 1 38 38 LEU HB2 H 1 1.3570 0.02 . 2 . . . A 38 LEU HB2 . 17607 1 426 . 1 1 38 38 LEU HB3 H 1 1.6860 0.02 . 2 . . . A 38 LEU HB3 . 17607 1 427 . 1 1 38 38 LEU HG H 1 1.3390 0.02 . 1 . . . A 38 LEU HG . 17607 1 428 . 1 1 38 38 LEU HD11 H 1 0.7850 0.02 . 2 . . . A 38 LEU HD11 . 17607 1 429 . 1 1 38 38 LEU HD12 H 1 0.7850 0.02 . 2 . . . A 38 LEU HD12 . 17607 1 430 . 1 1 38 38 LEU HD13 H 1 0.7850 0.02 . 2 . . . A 38 LEU HD13 . 17607 1 431 . 1 1 38 38 LEU HD21 H 1 0.7300 0.02 . 2 . . . A 38 LEU HD21 . 17607 1 432 . 1 1 38 38 LEU HD22 H 1 0.7300 0.02 . 2 . . . A 38 LEU HD22 . 17607 1 433 . 1 1 38 38 LEU HD23 H 1 0.7300 0.02 . 2 . . . A 38 LEU HD23 . 17607 1 434 . 1 1 38 38 LEU C C 13 177.2360 0.3 . 1 . . . A 38 LEU C . 17607 1 435 . 1 1 38 38 LEU CA C 13 53.1500 0.3 . 1 . . . A 38 LEU CA . 17607 1 436 . 1 1 38 38 LEU CB C 13 43.9070 0.3 . 1 . . . A 38 LEU CB . 17607 1 437 . 1 1 38 38 LEU CG C 13 27.4660 0.3 . 1 . . . A 38 LEU CG . 17607 1 438 . 1 1 38 38 LEU CD1 C 13 25.4920 0.3 . 2 . . . A 38 LEU CD1 . 17607 1 439 . 1 1 38 38 LEU CD2 C 13 24.0330 0.3 . 2 . . . A 38 LEU CD2 . 17607 1 440 . 1 1 38 38 LEU N N 15 123.3770 0.3 . 1 . . . A 38 LEU N . 17607 1 441 . 1 1 39 39 LEU H H 1 9.3410 0.02 . 1 . . . A 39 LEU H . 17607 1 442 . 1 1 39 39 LEU HA H 1 4.3760 0.02 . 1 . . . A 39 LEU HA . 17607 1 443 . 1 1 39 39 LEU HB2 H 1 2.0630 0.02 . 2 . . . A 39 LEU HB2 . 17607 1 444 . 1 1 39 39 LEU HB3 H 1 1.6340 0.02 . 2 . . . A 39 LEU HB3 . 17607 1 445 . 1 1 39 39 LEU HG H 1 1.6350 0.02 . 1 . . . A 39 LEU HG . 17607 1 446 . 1 1 39 39 LEU HD11 H 1 0.8220 0.02 . 2 . . . A 39 LEU HD11 . 17607 1 447 . 1 1 39 39 LEU HD12 H 1 0.8220 0.02 . 2 . . . A 39 LEU HD12 . 17607 1 448 . 1 1 39 39 LEU HD13 H 1 0.8220 0.02 . 2 . . . A 39 LEU HD13 . 17607 1 449 . 1 1 39 39 LEU HD21 H 1 0.6760 0.02 . 2 . . . A 39 LEU HD21 . 17607 1 450 . 1 1 39 39 LEU HD22 H 1 0.6760 0.02 . 2 . . . A 39 LEU HD22 . 17607 1 451 . 1 1 39 39 LEU HD23 H 1 0.6760 0.02 . 2 . . . A 39 LEU HD23 . 17607 1 452 . 1 1 39 39 LEU C C 13 177.8980 0.3 . 1 . . . A 39 LEU C . 17607 1 453 . 1 1 39 39 LEU CA C 13 55.3320 0.3 . 1 . . . A 39 LEU CA . 17607 1 454 . 1 1 39 39 LEU CB C 13 40.6950 0.3 . 1 . . . A 39 LEU CB . 17607 1 455 . 1 1 39 39 LEU CG C 13 27.8560 0.3 . 1 . . . A 39 LEU CG . 17607 1 456 . 1 1 39 39 LEU CD1 C 13 25.1250 0.3 . 2 . . . A 39 LEU CD1 . 17607 1 457 . 1 1 39 39 LEU CD2 C 13 23.4860 0.3 . 2 . . . A 39 LEU CD2 . 17607 1 458 . 1 1 39 39 LEU N N 15 127.6520 0.3 . 1 . . . A 39 LEU N . 17607 1 459 . 1 1 40 40 LYS H H 1 8.1730 0.02 . 1 . . . A 40 LYS H . 17607 1 460 . 1 1 40 40 LYS HA H 1 4.0220 0.02 . 1 . . . A 40 LYS HA . 17607 1 461 . 1 1 40 40 LYS HB2 H 1 1.6920 0.02 . 2 . . . A 40 LYS HB2 . 17607 1 462 . 1 1 40 40 LYS HB3 H 1 1.7950 0.02 . 2 . . . A 40 LYS HB3 . 17607 1 463 . 1 1 40 40 LYS HG2 H 1 1.4540 0.02 . 2 . . . A 40 LYS HG2 . 17607 1 464 . 1 1 40 40 LYS HG3 H 1 1.3960 0.02 . 2 . . . A 40 LYS HG3 . 17607 1 465 . 1 1 40 40 LYS HD2 H 1 1.6490 0.02 . 2 . . . A 40 LYS HD2 . 17607 1 466 . 1 1 40 40 LYS HE2 H 1 2.9330 0.02 . 2 . . . A 40 LYS HE2 . 17607 1 467 . 1 1 40 40 LYS C C 13 179.0760 0.3 . 1 . . . A 40 LYS C . 17607 1 468 . 1 1 40 40 LYS CA C 13 58.7860 0.3 . 1 . . . A 40 LYS CA . 17607 1 469 . 1 1 40 40 LYS CB C 13 32.7930 0.3 . 1 . . . A 40 LYS CB . 17607 1 470 . 1 1 40 40 LYS CG C 13 24.9690 0.3 . 1 . . . A 40 LYS CG . 17607 1 471 . 1 1 40 40 LYS CD C 13 28.9490 0.3 . 1 . . . A 40 LYS CD . 17607 1 472 . 1 1 40 40 LYS CE C 13 42.1360 0.3 . 1 . . . A 40 LYS CE . 17607 1 473 . 1 1 40 40 LYS N N 15 124.5300 0.3 . 1 . . . A 40 LYS N . 17607 1 474 . 1 1 41 41 GLN H H 1 9.1380 0.02 . 1 . . . A 41 GLN H . 17607 1 475 . 1 1 41 41 GLN HA H 1 4.0780 0.02 . 1 . . . A 41 GLN HA . 17607 1 476 . 1 1 41 41 GLN HB2 H 1 2.1540 0.02 . 2 . . . A 41 GLN HB2 . 17607 1 477 . 1 1 41 41 GLN HB3 H 1 1.9880 0.02 . 2 . . . A 41 GLN HB3 . 17607 1 478 . 1 1 41 41 GLN HG2 H 1 2.3590 0.02 . 2 . . . A 41 GLN HG2 . 17607 1 479 . 1 1 41 41 GLN HE21 H 1 6.9430 0.02 . 2 . . . A 41 GLN HE21 . 17607 1 480 . 1 1 41 41 GLN HE22 H 1 7.5700 0.02 . 2 . . . A 41 GLN HE22 . 17607 1 481 . 1 1 41 41 GLN C C 13 177.0070 0.3 . 1 . . . A 41 GLN C . 17607 1 482 . 1 1 41 41 GLN CA C 13 58.6780 0.3 . 1 . . . A 41 GLN CA . 17607 1 483 . 1 1 41 41 GLN CB C 13 28.3510 0.3 . 1 . . . A 41 GLN CB . 17607 1 484 . 1 1 41 41 GLN CG C 13 33.5530 0.3 . 1 . . . A 41 GLN CG . 17607 1 485 . 1 1 41 41 GLN N N 15 116.3350 0.3 . 1 . . . A 41 GLN N . 17607 1 486 . 1 1 41 41 GLN NE2 N 15 112.2150 0.3 . 1 . . . A 41 GLN NE2 . 17607 1 487 . 1 1 42 42 ASP H H 1 7.2080 0.02 . 1 . . . A 42 ASP H . 17607 1 488 . 1 1 42 42 ASP HA H 1 4.6830 0.02 . 1 . . . A 42 ASP HA . 17607 1 489 . 1 1 42 42 ASP HB2 H 1 2.5310 0.02 . 2 . . . A 42 ASP HB2 . 17607 1 490 . 1 1 42 42 ASP HB3 H 1 2.9270 0.02 . 2 . . . A 42 ASP HB3 . 17607 1 491 . 1 1 42 42 ASP C C 13 175.9500 0.3 . 1 . . . A 42 ASP C . 17607 1 492 . 1 1 42 42 ASP CA C 13 53.3030 0.3 . 1 . . . A 42 ASP CA . 17607 1 493 . 1 1 42 42 ASP CB C 13 41.9090 0.3 . 1 . . . A 42 ASP CB . 17607 1 494 . 1 1 42 42 ASP N N 15 113.5390 0.3 . 1 . . . A 42 ASP N . 17607 1 495 . 1 1 43 43 ASN H H 1 8.1790 0.02 . 1 . . . A 43 ASN H . 17607 1 496 . 1 1 43 43 ASN HA H 1 4.4830 0.02 . 1 . . . A 43 ASN HA . 17607 1 497 . 1 1 43 43 ASN HB2 H 1 3.1570 0.02 . 2 . . . A 43 ASN HB2 . 17607 1 498 . 1 1 43 43 ASN HB3 H 1 2.7250 0.02 . 2 . . . A 43 ASN HB3 . 17607 1 499 . 1 1 43 43 ASN HD21 H 1 6.7780 0.02 . 2 . . . A 43 ASN HD21 . 17607 1 500 . 1 1 43 43 ASN HD22 H 1 7.5880 0.02 . 2 . . . A 43 ASN HD22 . 17607 1 501 . 1 1 43 43 ASN C C 13 174.6560 0.3 . 1 . . . A 43 ASN C . 17607 1 502 . 1 1 43 43 ASN CA C 13 54.7220 0.3 . 1 . . . A 43 ASN CA . 17607 1 503 . 1 1 43 43 ASN CB C 13 38.1430 0.3 . 1 . . . A 43 ASN CB . 17607 1 504 . 1 1 43 43 ASN N N 15 115.5020 0.3 . 1 . . . A 43 ASN N . 17607 1 505 . 1 1 43 43 ASN ND2 N 15 112.5610 0.3 . 1 . . . A 43 ASN ND2 . 17607 1 506 . 1 1 44 44 THR H H 1 7.6970 0.02 . 1 . . . A 44 THR H . 17607 1 507 . 1 1 44 44 THR HA H 1 4.5300 0.02 . 1 . . . A 44 THR HA . 17607 1 508 . 1 1 44 44 THR HB H 1 4.1850 0.02 . 1 . . . A 44 THR HB . 17607 1 509 . 1 1 44 44 THR HG21 H 1 1.1500 0.02 . 1 . . . A 44 THR HG21 . 17607 1 510 . 1 1 44 44 THR HG22 H 1 1.1500 0.02 . 1 . . . A 44 THR HG22 . 17607 1 511 . 1 1 44 44 THR HG23 H 1 1.1500 0.02 . 1 . . . A 44 THR HG23 . 17607 1 512 . 1 1 44 44 THR C C 13 173.7360 0.3 . 1 . . . A 44 THR C . 17607 1 513 . 1 1 44 44 THR CA C 13 61.0910 0.3 . 1 . . . A 44 THR CA . 17607 1 514 . 1 1 44 44 THR CB C 13 71.3339 0.3 . 1 . . . A 44 THR CB . 17607 1 515 . 1 1 44 44 THR CG2 C 13 21.5380 0.3 . 1 . . . A 44 THR CG2 . 17607 1 516 . 1 1 44 44 THR N N 15 109.3950 0.3 . 1 . . . A 44 THR N . 17607 1 517 . 1 1 45 45 THR H H 1 8.3950 0.02 . 1 . . . A 45 THR H . 17607 1 518 . 1 1 45 45 THR HA H 1 5.5730 0.02 . 1 . . . A 45 THR HA . 17607 1 519 . 1 1 45 45 THR HB H 1 3.9750 0.02 . 1 . . . A 45 THR HB . 17607 1 520 . 1 1 45 45 THR HG21 H 1 1.1430 0.02 . 1 . . . A 45 THR HG21 . 17607 1 521 . 1 1 45 45 THR HG22 H 1 1.1430 0.02 . 1 . . . A 45 THR HG22 . 17607 1 522 . 1 1 45 45 THR HG23 H 1 1.1430 0.02 . 1 . . . A 45 THR HG23 . 17607 1 523 . 1 1 45 45 THR C C 13 175.0190 0.3 . 1 . . . A 45 THR C . 17607 1 524 . 1 1 45 45 THR CA C 13 60.8270 0.3 . 1 . . . A 45 THR CA . 17607 1 525 . 1 1 45 45 THR CB C 13 71.0753 0.3 . 1 . . . A 45 THR CB . 17607 1 526 . 1 1 45 45 THR CG2 C 13 21.6140 0.3 . 1 . . . A 45 THR CG2 . 17607 1 527 . 1 1 45 45 THR N N 15 114.4760 0.3 . 1 . . . A 45 THR N . 17607 1 528 . 1 1 46 46 GLN H H 1 8.8160 0.02 . 1 . . . A 46 GLN H . 17607 1 529 . 1 1 46 46 GLN HA H 1 4.6310 0.02 . 1 . . . A 46 GLN HA . 17607 1 530 . 1 1 46 46 GLN HB2 H 1 1.5920 0.02 . 2 . . . A 46 GLN HB2 . 17607 1 531 . 1 1 46 46 GLN HB3 H 1 1.9830 0.02 . 2 . . . A 46 GLN HB3 . 17607 1 532 . 1 1 46 46 GLN HG2 H 1 2.1980 0.02 . 2 . . . A 46 GLN HG2 . 17607 1 533 . 1 1 46 46 GLN HE21 H 1 6.8360 0.02 . 2 . . . A 46 GLN HE21 . 17607 1 534 . 1 1 46 46 GLN HE22 H 1 7.3100 0.02 . 2 . . . A 46 GLN HE22 . 17607 1 535 . 1 1 46 46 GLN C C 13 172.9750 0.3 . 1 . . . A 46 GLN C . 17607 1 536 . 1 1 46 46 GLN CA C 13 54.3700 0.3 . 1 . . . A 46 GLN CA . 17607 1 537 . 1 1 46 46 GLN CB C 13 32.5530 0.3 . 1 . . . A 46 GLN CB . 17607 1 538 . 1 1 46 46 GLN CG C 13 33.5660 0.3 . 1 . . . A 46 GLN CG . 17607 1 539 . 1 1 46 46 GLN N N 15 122.6210 0.3 . 1 . . . A 46 GLN N . 17607 1 540 . 1 1 46 46 GLN NE2 N 15 110.8420 0.3 . 1 . . . A 46 GLN NE2 . 17607 1 541 . 1 1 47 47 LEU H H 1 8.5780 0.02 . 1 . . . A 47 LEU H . 17607 1 542 . 1 1 47 47 LEU HA H 1 5.1900 0.02 . 1 . . . A 47 LEU HA . 17607 1 543 . 1 1 47 47 LEU HB2 H 1 1.7390 0.02 . 2 . . . A 47 LEU HB2 . 17607 1 544 . 1 1 47 47 LEU HB3 H 1 1.4460 0.02 . 2 . . . A 47 LEU HB3 . 17607 1 545 . 1 1 47 47 LEU HG H 1 1.4680 0.02 . 1 . . . A 47 LEU HG . 17607 1 546 . 1 1 47 47 LEU HD11 H 1 0.8610 0.02 . 2 . . . A 47 LEU HD11 . 17607 1 547 . 1 1 47 47 LEU HD12 H 1 0.8610 0.02 . 2 . . . A 47 LEU HD12 . 17607 1 548 . 1 1 47 47 LEU HD13 H 1 0.8610 0.02 . 2 . . . A 47 LEU HD13 . 17607 1 549 . 1 1 47 47 LEU HD21 H 1 0.8290 0.02 . 2 . . . A 47 LEU HD21 . 17607 1 550 . 1 1 47 47 LEU HD22 H 1 0.8290 0.02 . 2 . . . A 47 LEU HD22 . 17607 1 551 . 1 1 47 47 LEU HD23 H 1 0.8290 0.02 . 2 . . . A 47 LEU HD23 . 17607 1 552 . 1 1 47 47 LEU C C 13 176.5250 0.3 . 1 . . . A 47 LEU C . 17607 1 553 . 1 1 47 47 LEU CA C 13 53.8180 0.3 . 1 . . . A 47 LEU CA . 17607 1 554 . 1 1 47 47 LEU CB C 13 43.1730 0.3 . 1 . . . A 47 LEU CB . 17607 1 555 . 1 1 47 47 LEU CG C 13 27.2980 0.3 . 1 . . . A 47 LEU CG . 17607 1 556 . 1 1 47 47 LEU CD1 C 13 24.8810 0.3 . 2 . . . A 47 LEU CD1 . 17607 1 557 . 1 1 47 47 LEU CD2 C 13 24.3980 0.3 . 2 . . . A 47 LEU CD2 . 17607 1 558 . 1 1 47 47 LEU N N 15 125.0350 0.3 . 1 . . . A 47 LEU N . 17607 1 559 . 1 1 48 48 VAL H H 1 9.2170 0.02 . 1 . . . A 48 VAL H . 17607 1 560 . 1 1 48 48 VAL HA H 1 4.8390 0.02 . 1 . . . A 48 VAL HA . 17607 1 561 . 1 1 48 48 VAL HB H 1 2.2730 0.02 . 1 . . . A 48 VAL HB . 17607 1 562 . 1 1 48 48 VAL HG11 H 1 0.6690 0.02 . 2 . . . A 48 VAL HG11 . 17607 1 563 . 1 1 48 48 VAL HG12 H 1 0.6690 0.02 . 2 . . . A 48 VAL HG12 . 17607 1 564 . 1 1 48 48 VAL HG13 H 1 0.6690 0.02 . 2 . . . A 48 VAL HG13 . 17607 1 565 . 1 1 48 48 VAL HG21 H 1 0.8150 0.02 . 2 . . . A 48 VAL HG21 . 17607 1 566 . 1 1 48 48 VAL HG22 H 1 0.8150 0.02 . 2 . . . A 48 VAL HG22 . 17607 1 567 . 1 1 48 48 VAL HG23 H 1 0.8150 0.02 . 2 . . . A 48 VAL HG23 . 17607 1 568 . 1 1 48 48 VAL C C 13 174.7210 0.3 . 1 . . . A 48 VAL C . 17607 1 569 . 1 1 48 48 VAL CA C 13 58.8350 0.3 . 1 . . . A 48 VAL CA . 17607 1 570 . 1 1 48 48 VAL CB C 13 35.4560 0.3 . 1 . . . A 48 VAL CB . 17607 1 571 . 1 1 48 48 VAL CG1 C 13 18.7260 0.3 . 2 . . . A 48 VAL CG1 . 17607 1 572 . 1 1 48 48 VAL CG2 C 13 21.7700 0.3 . 2 . . . A 48 VAL CG2 . 17607 1 573 . 1 1 48 48 VAL N N 15 120.2140 0.3 . 1 . . . A 48 VAL N . 17607 1 574 . 1 1 49 49 GLN H H 1 8.3520 0.02 . 1 . . . A 49 GLN H . 17607 1 575 . 1 1 49 49 GLN HA H 1 5.1850 0.02 . 1 . . . A 49 GLN HA . 17607 1 576 . 1 1 49 49 GLN HB2 H 1 2.1700 0.02 . 2 . . . A 49 GLN HB2 . 17607 1 577 . 1 1 49 49 GLN HB3 H 1 2.2960 0.02 . 2 . . . A 49 GLN HB3 . 17607 1 578 . 1 1 49 49 GLN HG2 H 1 2.5100 0.02 . 2 . . . A 49 GLN HG2 . 17607 1 579 . 1 1 49 49 GLN HG3 H 1 2.3160 0.02 . 2 . . . A 49 GLN HG3 . 17607 1 580 . 1 1 49 49 GLN HE21 H 1 6.8420 0.02 . 2 . . . A 49 GLN HE21 . 17607 1 581 . 1 1 49 49 GLN HE22 H 1 8.1620 0.02 . 2 . . . A 49 GLN HE22 . 17607 1 582 . 1 1 49 49 GLN C C 13 177.9050 0.3 . 1 . . . A 49 GLN C . 17607 1 583 . 1 1 49 49 GLN CA C 13 54.9000 0.3 . 1 . . . A 49 GLN CA . 17607 1 584 . 1 1 49 49 GLN CB C 13 30.6560 0.3 . 1 . . . A 49 GLN CB . 17607 1 585 . 1 1 49 49 GLN CG C 13 34.9570 0.3 . 1 . . . A 49 GLN CG . 17607 1 586 . 1 1 49 49 GLN N N 15 118.6500 0.3 . 1 . . . A 49 GLN N . 17607 1 587 . 1 1 49 49 GLN NE2 N 15 113.3790 0.3 . 1 . . . A 49 GLN NE2 . 17607 1 588 . 1 1 50 50 ASP H H 1 8.7400 0.02 . 1 . . . A 50 ASP H . 17607 1 589 . 1 1 50 50 ASP HA H 1 3.9920 0.02 . 1 . . . A 50 ASP HA . 17607 1 590 . 1 1 50 50 ASP HB2 H 1 2.7480 0.02 . 2 . . . A 50 ASP HB2 . 17607 1 591 . 1 1 50 50 ASP HB3 H 1 2.6230 0.02 . 2 . . . A 50 ASP HB3 . 17607 1 592 . 1 1 50 50 ASP C C 13 176.5380 0.3 . 1 . . . A 50 ASP C . 17607 1 593 . 1 1 50 50 ASP CA C 13 57.9770 0.3 . 1 . . . A 50 ASP CA . 17607 1 594 . 1 1 50 50 ASP CB C 13 40.9010 0.3 . 1 . . . A 50 ASP CB . 17607 1 595 . 1 1 50 50 ASP N N 15 119.6270 0.3 . 1 . . . A 50 ASP N . 17607 1 596 . 1 1 51 51 ASP H H 1 8.2750 0.02 . 1 . . . A 51 ASP H . 17607 1 597 . 1 1 51 51 ASP HA H 1 4.5600 0.02 . 1 . . . A 51 ASP HA . 17607 1 598 . 1 1 51 51 ASP HB2 H 1 2.6720 0.02 . 2 . . . A 51 ASP HB2 . 17607 1 599 . 1 1 51 51 ASP HB3 H 1 2.9050 0.02 . 2 . . . A 51 ASP HB3 . 17607 1 600 . 1 1 51 51 ASP C C 13 177.1720 0.3 . 1 . . . A 51 ASP C . 17607 1 601 . 1 1 51 51 ASP CA C 13 55.2370 0.3 . 1 . . . A 51 ASP CA . 17607 1 602 . 1 1 51 51 ASP CB C 13 39.3580 0.3 . 1 . . . A 51 ASP CB . 17607 1 603 . 1 1 51 51 ASP N N 15 116.6880 0.3 . 1 . . . A 51 ASP N . 17607 1 604 . 1 1 52 52 GLN H H 1 8.1150 0.02 . 1 . . . A 52 GLN H . 17607 1 605 . 1 1 52 52 GLN HA H 1 4.4500 0.02 . 1 . . . A 52 GLN HA . 17607 1 606 . 1 1 52 52 GLN HB2 H 1 2.5300 0.02 . 2 . . . A 52 GLN HB2 . 17607 1 607 . 1 1 52 52 GLN HB3 H 1 2.2590 0.02 . 2 . . . A 52 GLN HB3 . 17607 1 608 . 1 1 52 52 GLN HG2 H 1 2.3930 0.02 . 2 . . . A 52 GLN HG2 . 17607 1 609 . 1 1 52 52 GLN HE21 H 1 7.6480 0.02 . 2 . . . A 52 GLN HE21 . 17607 1 610 . 1 1 52 52 GLN HE22 H 1 6.9430 0.02 . 2 . . . A 52 GLN HE22 . 17607 1 611 . 1 1 52 52 GLN C C 13 174.6220 0.3 . 1 . . . A 52 GLN C . 17607 1 612 . 1 1 52 52 GLN CA C 13 55.2210 0.3 . 1 . . . A 52 GLN CA . 17607 1 613 . 1 1 52 52 GLN CB C 13 29.8990 0.3 . 1 . . . A 52 GLN CB . 17607 1 614 . 1 1 52 52 GLN CG C 13 34.8790 0.3 . 1 . . . A 52 GLN CG . 17607 1 615 . 1 1 52 52 GLN N N 15 117.8400 0.3 . 1 . . . A 52 GLN N . 17607 1 616 . 1 1 52 52 GLN NE2 N 15 113.6420 0.3 . 1 . . . A 52 GLN NE2 . 17607 1 617 . 1 1 53 53 VAL H H 1 7.6100 0.02 . 1 . . . A 53 VAL H . 17607 1 618 . 1 1 53 53 VAL HA H 1 4.5970 0.02 . 1 . . . A 53 VAL HA . 17607 1 619 . 1 1 53 53 VAL HB H 1 2.1060 0.02 . 1 . . . A 53 VAL HB . 17607 1 620 . 1 1 53 53 VAL HG11 H 1 0.6750 0.02 . 1 . . . A 53 VAL HG11 . 17607 1 621 . 1 1 53 53 VAL HG12 H 1 0.6750 0.02 . 1 . . . A 53 VAL HG12 . 17607 1 622 . 1 1 53 53 VAL HG13 H 1 0.6750 0.02 . 1 . . . A 53 VAL HG13 . 17607 1 623 . 1 1 53 53 VAL HG21 H 1 0.7560 0.02 . 1 . . . A 53 VAL HG21 . 17607 1 624 . 1 1 53 53 VAL HG22 H 1 0.7560 0.02 . 1 . . . A 53 VAL HG22 . 17607 1 625 . 1 1 53 53 VAL HG23 H 1 0.7560 0.02 . 1 . . . A 53 VAL HG23 . 17607 1 626 . 1 1 53 53 VAL C C 13 174.9350 0.3 . 1 . . . A 53 VAL C . 17607 1 627 . 1 1 53 53 VAL CA C 13 61.6550 0.3 . 1 . . . A 53 VAL CA . 17607 1 628 . 1 1 53 53 VAL CB C 13 33.9400 0.3 . 1 . . . A 53 VAL CB . 17607 1 629 . 1 1 53 53 VAL CG1 C 13 21.7360 0.3 . 1 . . . A 53 VAL CG1 . 17607 1 630 . 1 1 53 53 VAL CG2 C 13 22.1320 0.3 . 1 . . . A 53 VAL CG2 . 17607 1 631 . 1 1 53 53 VAL N N 15 118.8820 0.3 . 1 . . . A 53 VAL N . 17607 1 632 . 1 1 54 54 LYS H H 1 9.3150 0.02 . 1 . . . A 54 LYS H . 17607 1 633 . 1 1 54 54 LYS HA H 1 4.7310 0.02 . 1 . . . A 54 LYS HA . 17607 1 634 . 1 1 54 54 LYS HB2 H 1 1.7150 0.02 . 2 . . . A 54 LYS HB2 . 17607 1 635 . 1 1 54 54 LYS HB3 H 1 1.6430 0.02 . 2 . . . A 54 LYS HB3 . 17607 1 636 . 1 1 54 54 LYS HG2 H 1 1.1890 0.02 . 2 . . . A 54 LYS HG2 . 17607 1 637 . 1 1 54 54 LYS HD2 H 1 1.3300 0.02 . 2 . . . A 54 LYS HD2 . 17607 1 638 . 1 1 54 54 LYS HE2 H 1 2.5010 0.02 . 2 . . . A 54 LYS HE2 . 17607 1 639 . 1 1 54 54 LYS HE3 H 1 2.3920 0.02 . 2 . . . A 54 LYS HE3 . 17607 1 640 . 1 1 54 54 LYS C C 13 175.3450 0.3 . 1 . . . A 54 LYS C . 17607 1 641 . 1 1 54 54 LYS CA C 13 55.3590 0.3 . 1 . . . A 54 LYS CA . 17607 1 642 . 1 1 54 54 LYS CB C 13 33.8280 0.3 . 1 . . . A 54 LYS CB . 17607 1 643 . 1 1 54 54 LYS CG C 13 24.3450 0.3 . 1 . . . A 54 LYS CG . 17607 1 644 . 1 1 54 54 LYS CD C 13 29.1830 0.3 . 1 . . . A 54 LYS CD . 17607 1 645 . 1 1 54 54 LYS CE C 13 41.5900 0.3 . 1 . . . A 54 LYS CE . 17607 1 646 . 1 1 54 54 LYS N N 15 128.2460 0.3 . 1 . . . A 54 LYS N . 17607 1 647 . 1 1 55 55 GLY H H 1 8.4070 0.02 . 1 . . . A 55 GLY H . 17607 1 648 . 1 1 55 55 GLY HA2 H 1 4.6560 0.02 . 2 . . . A 55 GLY HA2 . 17607 1 649 . 1 1 55 55 GLY HA3 H 1 3.8660 0.02 . 2 . . . A 55 GLY HA3 . 17607 1 650 . 1 1 55 55 GLY C C 13 178.2700 0.3 . 1 . . . A 55 GLY C . 17607 1 651 . 1 1 55 55 GLY CA C 13 43.5340 0.3 . 1 . . . A 55 GLY CA . 17607 1 652 . 1 1 55 55 GLY N N 15 116.4070 0.3 . 1 . . . A 55 GLY N . 17607 1 653 . 1 1 56 56 PRO HA H 1 4.2730 0.02 . 1 . . . A 56 PRO HA . 17607 1 654 . 1 1 56 56 PRO HB2 H 1 1.6310 0.02 . 2 . . . A 56 PRO HB2 . 17607 1 655 . 1 1 56 56 PRO HB3 H 1 2.1570 0.02 . 2 . . . A 56 PRO HB3 . 17607 1 656 . 1 1 56 56 PRO HG2 H 1 1.9970 0.02 . 2 . . . A 56 PRO HG2 . 17607 1 657 . 1 1 56 56 PRO HG3 H 1 2.1010 0.02 . 2 . . . A 56 PRO HG3 . 17607 1 658 . 1 1 56 56 PRO HD2 H 1 3.5560 0.02 . 2 . . . A 56 PRO HD2 . 17607 1 659 . 1 1 56 56 PRO HD3 H 1 3.6160 0.02 . 2 . . . A 56 PRO HD3 . 17607 1 660 . 1 1 56 56 PRO C C 13 175.5910 0.3 . 1 . . . A 56 PRO C . 17607 1 661 . 1 1 56 56 PRO CA C 13 62.4410 0.3 . 1 . . . A 56 PRO CA . 17607 1 662 . 1 1 56 56 PRO CB C 13 32.2220 0.3 . 1 . . . A 56 PRO CB . 17607 1 663 . 1 1 56 56 PRO CG C 13 27.3100 0.3 . 1 . . . A 56 PRO CG . 17607 1 664 . 1 1 56 56 PRO CD C 13 49.4100 0.3 . 1 . . . A 56 PRO CD . 17607 1 665 . 1 1 57 57 LEU H H 1 8.1680 0.02 . 1 . . . A 57 LEU H . 17607 1 666 . 1 1 57 57 LEU HA H 1 4.2700 0.02 . 1 . . . A 57 LEU HA . 17607 1 667 . 1 1 57 57 LEU HB2 H 1 1.2050 0.02 . 2 . . . A 57 LEU HB2 . 17607 1 668 . 1 1 57 57 LEU HB3 H 1 1.8200 0.02 . 2 . . . A 57 LEU HB3 . 17607 1 669 . 1 1 57 57 LEU HG H 1 1.8020 0.02 . 1 . . . A 57 LEU HG . 17607 1 670 . 1 1 57 57 LEU HD11 H 1 0.7530 0.02 . 2 . . . A 57 LEU HD11 . 17607 1 671 . 1 1 57 57 LEU HD12 H 1 0.7530 0.02 . 2 . . . A 57 LEU HD12 . 17607 1 672 . 1 1 57 57 LEU HD13 H 1 0.7530 0.02 . 2 . . . A 57 LEU HD13 . 17607 1 673 . 1 1 57 57 LEU HD21 H 1 0.9630 0.02 . 2 . . . A 57 LEU HD21 . 17607 1 674 . 1 1 57 57 LEU HD22 H 1 0.9630 0.02 . 2 . . . A 57 LEU HD22 . 17607 1 675 . 1 1 57 57 LEU HD23 H 1 0.9630 0.02 . 2 . . . A 57 LEU HD23 . 17607 1 676 . 1 1 57 57 LEU C C 13 175.0910 0.3 . 1 . . . A 57 LEU C . 17607 1 677 . 1 1 57 57 LEU CA C 13 52.3720 0.3 . 1 . . . A 57 LEU CA . 17607 1 678 . 1 1 57 57 LEU CB C 13 39.8730 0.3 . 1 . . . A 57 LEU CB . 17607 1 679 . 1 1 57 57 LEU CG C 13 26.0620 0.3 . 1 . . . A 57 LEU CG . 17607 1 680 . 1 1 57 57 LEU CD1 C 13 23.4080 0.3 . 2 . . . A 57 LEU CD1 . 17607 1 681 . 1 1 57 57 LEU CD2 C 13 26.0620 0.3 . 2 . . . A 57 LEU CD2 . 17607 1 682 . 1 1 57 57 LEU N N 15 119.9700 0.3 . 1 . . . A 57 LEU N . 17607 1 683 . 1 1 58 58 ARG H H 1 7.2730 0.02 . 1 . . . A 58 ARG H . 17607 1 684 . 1 1 58 58 ARG HA H 1 4.4900 0.02 . 1 . . . A 58 ARG HA . 17607 1 685 . 1 1 58 58 ARG HB2 H 1 1.5050 0.02 . 2 . . . A 58 ARG HB2 . 17607 1 686 . 1 1 58 58 ARG HB3 H 1 1.5700 0.02 . 2 . . . A 58 ARG HB3 . 17607 1 687 . 1 1 58 58 ARG HG2 H 1 1.4790 0.02 . 2 . . . A 58 ARG HG2 . 17607 1 688 . 1 1 58 58 ARG HD2 H 1 3.1570 0.02 . 2 . . . A 58 ARG HD2 . 17607 1 689 . 1 1 58 58 ARG C C 13 174.9540 0.3 . 1 . . . A 58 ARG C . 17607 1 690 . 1 1 58 58 ARG CA C 13 54.3510 0.3 . 1 . . . A 58 ARG CA . 17607 1 691 . 1 1 58 58 ARG CB C 13 33.5350 0.3 . 1 . . . A 58 ARG CB . 17607 1 692 . 1 1 58 58 ARG CG C 13 27.1540 0.3 . 1 . . . A 58 ARG CG . 17607 1 693 . 1 1 58 58 ARG CD C 13 43.2290 0.3 . 1 . . . A 58 ARG CD . 17607 1 694 . 1 1 58 58 ARG N N 15 123.1150 0.3 . 1 . . . A 58 ARG N . 17607 1 695 . 1 1 59 59 VAL H H 1 9.0020 0.02 . 1 . . . A 59 VAL H . 17607 1 696 . 1 1 59 59 VAL HA H 1 3.2620 0.02 . 1 . . . A 59 VAL HA . 17607 1 697 . 1 1 59 59 VAL HB H 1 1.9070 0.02 . 1 . . . A 59 VAL HB . 17607 1 698 . 1 1 59 59 VAL HG11 H 1 0.9020 0.02 . 1 . . . A 59 VAL HG11 . 17607 1 699 . 1 1 59 59 VAL HG12 H 1 0.9020 0.02 . 1 . . . A 59 VAL HG12 . 17607 1 700 . 1 1 59 59 VAL HG13 H 1 0.9020 0.02 . 1 . . . A 59 VAL HG13 . 17607 1 701 . 1 1 59 59 VAL HG21 H 1 0.9540 0.02 . 1 . . . A 59 VAL HG21 . 17607 1 702 . 1 1 59 59 VAL HG22 H 1 0.9540 0.02 . 1 . . . A 59 VAL HG22 . 17607 1 703 . 1 1 59 59 VAL HG23 H 1 0.9540 0.02 . 1 . . . A 59 VAL HG23 . 17607 1 704 . 1 1 59 59 VAL C C 13 177.3940 0.3 . 1 . . . A 59 VAL C . 17607 1 705 . 1 1 59 59 VAL CA C 13 66.2120 0.3 . 1 . . . A 59 VAL CA . 17607 1 706 . 1 1 59 59 VAL CB C 13 30.9770 0.3 . 1 . . . A 59 VAL CB . 17607 1 707 . 1 1 59 59 VAL CG1 C 13 21.3020 0.3 . 1 . . . A 59 VAL CG1 . 17607 1 708 . 1 1 59 59 VAL CG2 C 13 23.0960 0.3 . 1 . . . A 59 VAL CG2 . 17607 1 709 . 1 1 59 59 VAL N N 15 125.7150 0.3 . 1 . . . A 59 VAL N . 17607 1 710 . 1 1 60 60 GLY H H 1 9.1270 0.02 . 1 . . . A 60 GLY H . 17607 1 711 . 1 1 60 60 GLY HA2 H 1 4.3850 0.02 . 2 . . . A 60 GLY HA2 . 17607 1 712 . 1 1 60 60 GLY HA3 H 1 3.5360 0.02 . 2 . . . A 60 GLY HA3 . 17607 1 713 . 1 1 60 60 GLY C C 13 173.5290 0.3 . 1 . . . A 60 GLY C . 17607 1 714 . 1 1 60 60 GLY CA C 13 44.7440 0.3 . 1 . . . A 60 GLY CA . 17607 1 715 . 1 1 60 60 GLY N N 15 116.6350 0.3 . 1 . . . A 60 GLY N . 17607 1 716 . 1 1 61 61 ALA H H 1 7.9790 0.02 . 1 . . . A 61 ALA H . 17607 1 717 . 1 1 61 61 ALA HA H 1 4.2980 0.02 . 1 . . . A 61 ALA HA . 17607 1 718 . 1 1 61 61 ALA HB1 H 1 1.4380 0.02 . 1 . . . A 61 ALA HB1 . 17607 1 719 . 1 1 61 61 ALA HB2 H 1 1.4380 0.02 . 1 . . . A 61 ALA HB2 . 17607 1 720 . 1 1 61 61 ALA HB3 H 1 1.4380 0.02 . 1 . . . A 61 ALA HB3 . 17607 1 721 . 1 1 61 61 ALA C C 13 176.2200 0.3 . 1 . . . A 61 ALA C . 17607 1 722 . 1 1 61 61 ALA CA C 13 52.5560 0.3 . 1 . . . A 61 ALA CA . 17607 1 723 . 1 1 61 61 ALA CB C 13 20.5090 0.3 . 1 . . . A 61 ALA CB . 17607 1 724 . 1 1 61 61 ALA N N 15 122.9300 0.3 . 1 . . . A 61 ALA N . 17607 1 725 . 1 1 62 62 ILE H H 1 8.0310 0.02 . 1 . . . A 62 ILE H . 17607 1 726 . 1 1 62 62 ILE HA H 1 4.7790 0.02 . 1 . . . A 62 ILE HA . 17607 1 727 . 1 1 62 62 ILE HB H 1 1.8130 0.02 . 1 . . . A 62 ILE HB . 17607 1 728 . 1 1 62 62 ILE HG12 H 1 1.6820 0.02 . 2 . . . A 62 ILE HG12 . 17607 1 729 . 1 1 62 62 ILE HG13 H 1 1.1750 0.02 . 2 . . . A 62 ILE HG13 . 17607 1 730 . 1 1 62 62 ILE HG21 H 1 0.9650 0.02 . 1 . . . A 62 ILE HG21 . 17607 1 731 . 1 1 62 62 ILE HG22 H 1 0.9650 0.02 . 1 . . . A 62 ILE HG22 . 17607 1 732 . 1 1 62 62 ILE HG23 H 1 0.9650 0.02 . 1 . . . A 62 ILE HG23 . 17607 1 733 . 1 1 62 62 ILE HD11 H 1 0.9130 0.02 . 1 . . . A 62 ILE HD11 . 17607 1 734 . 1 1 62 62 ILE HD12 H 1 0.9130 0.02 . 1 . . . A 62 ILE HD12 . 17607 1 735 . 1 1 62 62 ILE HD13 H 1 0.9130 0.02 . 1 . . . A 62 ILE HD13 . 17607 1 736 . 1 1 62 62 ILE C C 13 176.6550 0.3 . 1 . . . A 62 ILE C . 17607 1 737 . 1 1 62 62 ILE CA C 13 60.9220 0.3 . 1 . . . A 62 ILE CA . 17607 1 738 . 1 1 62 62 ILE CB C 13 37.3800 0.3 . 1 . . . A 62 ILE CB . 17607 1 739 . 1 1 62 62 ILE CG1 C 13 28.2460 0.3 . 1 . . . A 62 ILE CG1 . 17607 1 740 . 1 1 62 62 ILE CG2 C 13 17.7120 0.3 . 1 . . . A 62 ILE CG2 . 17607 1 741 . 1 1 62 62 ILE CD1 C 13 13.1361 0.3 . 1 . . . A 62 ILE CD1 . 17607 1 742 . 1 1 62 62 ILE N N 15 120.9450 0.3 . 1 . . . A 62 ILE N . 17607 1 743 . 1 1 63 63 VAL H H 1 9.1670 0.02 . 1 . . . A 63 VAL H . 17607 1 744 . 1 1 63 63 VAL HA H 1 4.9560 0.02 . 1 . . . A 63 VAL HA . 17607 1 745 . 1 1 63 63 VAL HB H 1 2.1530 0.02 . 1 . . . A 63 VAL HB . 17607 1 746 . 1 1 63 63 VAL HG11 H 1 0.8080 0.02 . 1 . . . A 63 VAL HG11 . 17607 1 747 . 1 1 63 63 VAL HG12 H 1 0.8080 0.02 . 1 . . . A 63 VAL HG12 . 17607 1 748 . 1 1 63 63 VAL HG13 H 1 0.8080 0.02 . 1 . . . A 63 VAL HG13 . 17607 1 749 . 1 1 63 63 VAL HG21 H 1 0.4840 0.02 . 1 . . . A 63 VAL HG21 . 17607 1 750 . 1 1 63 63 VAL HG22 H 1 0.4840 0.02 . 1 . . . A 63 VAL HG22 . 17607 1 751 . 1 1 63 63 VAL HG23 H 1 0.4840 0.02 . 1 . . . A 63 VAL HG23 . 17607 1 752 . 1 1 63 63 VAL C C 13 174.5340 0.3 . 1 . . . A 63 VAL C . 17607 1 753 . 1 1 63 63 VAL CA C 13 58.9740 0.3 . 1 . . . A 63 VAL CA . 17607 1 754 . 1 1 63 63 VAL CB C 13 35.7710 0.3 . 1 . . . A 63 VAL CB . 17607 1 755 . 1 1 63 63 VAL CG1 C 13 22.0040 0.3 . 1 . . . A 63 VAL CG1 . 17607 1 756 . 1 1 63 63 VAL CG2 C 13 17.2440 0.3 . 1 . . . A 63 VAL CG2 . 17607 1 757 . 1 1 63 63 VAL N N 15 121.1150 0.3 . 1 . . . A 63 VAL N . 17607 1 758 . 1 1 64 64 GLU H H 1 8.3770 0.02 . 1 . . . A 64 GLU H . 17607 1 759 . 1 1 64 64 GLU HA H 1 5.2890 0.02 . 1 . . . A 64 GLU HA . 17607 1 760 . 1 1 64 64 GLU HB2 H 1 1.8540 0.02 . 2 . . . A 64 GLU HB2 . 17607 1 761 . 1 1 64 64 GLU HB3 H 1 2.0090 0.02 . 2 . . . A 64 GLU HB3 . 17607 1 762 . 1 1 64 64 GLU HG2 H 1 2.2380 0.02 . 2 . . . A 64 GLU HG2 . 17607 1 763 . 1 1 64 64 GLU HG3 H 1 2.0200 0.02 . 2 . . . A 64 GLU HG3 . 17607 1 764 . 1 1 64 64 GLU C C 13 176.1870 0.3 . 1 . . . A 64 GLU C . 17607 1 765 . 1 1 64 64 GLU CA C 13 54.5430 0.3 . 1 . . . A 64 GLU CA . 17607 1 766 . 1 1 64 64 GLU CB C 13 33.6200 0.3 . 1 . . . A 64 GLU CB . 17607 1 767 . 1 1 64 64 GLU CG C 13 37.2200 0.3 . 1 . . . A 64 GLU CG . 17607 1 768 . 1 1 64 64 GLU N N 15 117.5580 0.3 . 1 . . . A 64 GLU N . 17607 1 769 . 1 1 65 65 THR H H 1 9.3590 0.02 . 1 . . . A 65 THR H . 17607 1 770 . 1 1 65 65 THR HA H 1 5.4500 0.02 . 1 . . . A 65 THR HA . 17607 1 771 . 1 1 65 65 THR HB H 1 3.8220 0.02 . 1 . . . A 65 THR HB . 17607 1 772 . 1 1 65 65 THR HG21 H 1 0.9600 0.02 . 1 . . . A 65 THR HG21 . 17607 1 773 . 1 1 65 65 THR HG22 H 1 0.9600 0.02 . 1 . . . A 65 THR HG22 . 17607 1 774 . 1 1 65 65 THR HG23 H 1 0.9600 0.02 . 1 . . . A 65 THR HG23 . 17607 1 775 . 1 1 65 65 THR C C 13 173.1050 0.3 . 1 . . . A 65 THR C . 17607 1 776 . 1 1 65 65 THR CA C 13 59.4300 0.3 . 1 . . . A 65 THR CA . 17607 1 777 . 1 1 65 65 THR CB C 13 71.1122 0.3 . 1 . . . A 65 THR CB . 17607 1 778 . 1 1 65 65 THR CG2 C 13 21.7700 0.3 . 1 . . . A 65 THR CG2 . 17607 1 779 . 1 1 65 65 THR N N 15 115.9750 0.3 . 1 . . . A 65 THR N . 17607 1 780 . 1 1 66 66 ARG H H 1 8.5480 0.02 . 1 . . . A 66 ARG H . 17607 1 781 . 1 1 66 66 ARG HA H 1 4.1520 0.02 . 1 . . . A 66 ARG HA . 17607 1 782 . 1 1 66 66 ARG HB2 H 1 1.3660 0.02 . 2 . . . A 66 ARG HB2 . 17607 1 783 . 1 1 66 66 ARG HB3 H 1 1.6080 0.02 . 2 . . . A 66 ARG HB3 . 17607 1 784 . 1 1 66 66 ARG HG2 H 1 0.9600 0.02 . 2 . . . A 66 ARG HG2 . 17607 1 785 . 1 1 66 66 ARG HG3 H 1 1.4190 0.02 . 2 . . . A 66 ARG HG3 . 17607 1 786 . 1 1 66 66 ARG HD2 H 1 2.9260 0.02 . 2 . . . A 66 ARG HD2 . 17607 1 787 . 1 1 66 66 ARG HD3 H 1 3.0100 0.02 . 2 . . . A 66 ARG HD3 . 17607 1 788 . 1 1 66 66 ARG C C 13 177.0790 0.3 . 1 . . . A 66 ARG C . 17607 1 789 . 1 1 66 66 ARG CA C 13 56.1240 0.3 . 1 . . . A 66 ARG CA . 17607 1 790 . 1 1 66 66 ARG CB C 13 30.9220 0.3 . 1 . . . A 66 ARG CB . 17607 1 791 . 1 1 66 66 ARG CG C 13 27.1540 0.3 . 1 . . . A 66 ARG CG . 17607 1 792 . 1 1 66 66 ARG CD C 13 43.3850 0.3 . 1 . . . A 66 ARG CD . 17607 1 793 . 1 1 66 66 ARG N N 15 127.0210 0.3 . 1 . . . A 66 ARG N . 17607 1 794 . 1 1 67 67 THR H H 1 8.5340 0.02 . 1 . . . A 67 THR H . 17607 1 795 . 1 1 67 67 THR HA H 1 4.6320 0.02 . 1 . . . A 67 THR HA . 17607 1 796 . 1 1 67 67 THR HB H 1 4.4910 0.02 . 1 . . . A 67 THR HB . 17607 1 797 . 1 1 67 67 THR HG21 H 1 1.1090 0.02 . 1 . . . A 67 THR HG21 . 17607 1 798 . 1 1 67 67 THR HG22 H 1 1.1090 0.02 . 1 . . . A 67 THR HG22 . 17607 1 799 . 1 1 67 67 THR HG23 H 1 1.1090 0.02 . 1 . . . A 67 THR HG23 . 17607 1 800 . 1 1 67 67 THR C C 13 177.2140 0.3 . 1 . . . A 67 THR C . 17607 1 801 . 1 1 67 67 THR CA C 13 60.8080 0.3 . 1 . . . A 67 THR CA . 17607 1 802 . 1 1 67 67 THR CB C 13 70.5950 0.3 . 1 . . . A 67 THR CB . 17607 1 803 . 1 1 67 67 THR CG2 C 13 21.9340 0.3 . 1 . . . A 67 THR CG2 . 17607 1 804 . 1 1 67 67 THR N N 15 117.8400 0.3 . 1 . . . A 67 THR N . 17607 1 805 . 1 1 68 68 SER HA H 1 3.9560 0.02 . 1 . . . A 68 SER HA . 17607 1 806 . 1 1 68 68 SER HB3 H 1 4.1390 0.02 . 2 . . . A 68 SER HB3 . 17607 1 807 . 1 1 68 68 SER C C 13 175.1340 0.3 . 1 . . . A 68 SER C . 17607 1 808 . 1 1 68 68 SER CA C 13 61.5430 0.3 . 1 . . . A 68 SER CA . 17607 1 809 . 1 1 68 68 SER CB C 13 62.9340 0.3 . 1 . . . A 68 SER CB . 17607 1 810 . 1 1 69 69 ASP H H 1 7.9010 0.02 . 1 . . . A 69 ASP H . 17607 1 811 . 1 1 69 69 ASP HA H 1 4.6500 0.02 . 1 . . . A 69 ASP HA . 17607 1 812 . 1 1 69 69 ASP HB2 H 1 2.9840 0.02 . 2 . . . A 69 ASP HB2 . 17607 1 813 . 1 1 69 69 ASP HB3 H 1 2.5840 0.02 . 2 . . . A 69 ASP HB3 . 17607 1 814 . 1 1 69 69 ASP C C 13 177.0780 0.3 . 1 . . . A 69 ASP C . 17607 1 815 . 1 1 69 69 ASP CA C 13 53.4190 0.3 . 1 . . . A 69 ASP CA . 17607 1 816 . 1 1 69 69 ASP CB C 13 40.2200 0.3 . 1 . . . A 69 ASP CB . 17607 1 817 . 1 1 69 69 ASP N N 15 118.7280 0.3 . 1 . . . A 69 ASP N . 17607 1 818 . 1 1 70 70 GLY H H 1 8.1420 0.02 . 1 . . . A 70 GLY H . 17607 1 819 . 1 1 70 70 GLY HA2 H 1 3.4740 0.02 . 2 . . . A 70 GLY HA2 . 17607 1 820 . 1 1 70 70 GLY HA3 H 1 4.3030 0.02 . 2 . . . A 70 GLY HA3 . 17607 1 821 . 1 1 70 70 GLY C C 13 174.0470 0.3 . 1 . . . A 70 GLY C . 17607 1 822 . 1 1 70 70 GLY CA C 13 45.0670 0.3 . 1 . . . A 70 GLY CA . 17607 1 823 . 1 1 70 70 GLY N N 15 108.5730 0.3 . 1 . . . A 70 GLY N . 17607 1 824 . 1 1 71 71 SER H H 1 7.9950 0.02 . 1 . . . A 71 SER H . 17607 1 825 . 1 1 71 71 SER HA H 1 4.4690 0.02 . 1 . . . A 71 SER HA . 17607 1 826 . 1 1 71 71 SER HB2 H 1 4.6410 0.02 . 2 . . . A 71 SER HB2 . 17607 1 827 . 1 1 71 71 SER HB3 H 1 3.9030 0.02 . 2 . . . A 71 SER HB3 . 17607 1 828 . 1 1 71 71 SER C C 13 173.3260 0.3 . 1 . . . A 71 SER C . 17607 1 829 . 1 1 71 71 SER CA C 13 57.9660 0.3 . 1 . . . A 71 SER CA . 17607 1 830 . 1 1 71 71 SER CB C 13 64.1500 0.3 . 1 . . . A 71 SER CB . 17607 1 831 . 1 1 71 71 SER N N 15 117.0240 0.3 . 1 . . . A 71 SER N . 17607 1 832 . 1 1 72 72 PHE H H 1 8.8270 0.02 . 1 . . . A 72 PHE H . 17607 1 833 . 1 1 72 72 PHE HA H 1 5.2760 0.02 . 1 . . . A 72 PHE HA . 17607 1 834 . 1 1 72 72 PHE HB3 H 1 2.8910 0.02 . 2 . . . A 72 PHE HB3 . 17607 1 835 . 1 1 72 72 PHE HD1 H 1 7.0830 0.02 . 1 . . . A 72 PHE HD1 . 17607 1 836 . 1 1 72 72 PHE HD2 H 1 7.0830 0.02 . 1 . . . A 72 PHE HD2 . 17607 1 837 . 1 1 72 72 PHE HE1 H 1 7.2840 0.02 . 1 . . . A 72 PHE HE1 . 17607 1 838 . 1 1 72 72 PHE HE2 H 1 7.2840 0.02 . 1 . . . A 72 PHE HE2 . 17607 1 839 . 1 1 72 72 PHE C C 13 176.3920 0.3 . 1 . . . A 72 PHE C . 17607 1 840 . 1 1 72 72 PHE CA C 13 57.8290 0.3 . 1 . . . A 72 PHE CA . 17607 1 841 . 1 1 72 72 PHE CB C 13 41.4890 0.3 . 1 . . . A 72 PHE CB . 17607 1 842 . 1 1 72 72 PHE CD1 C 13 131.7170 0.3 . 1 . . . A 72 PHE CD1 . 17607 1 843 . 1 1 72 72 PHE CD2 C 13 131.7170 0.3 . 1 . . . A 72 PHE CD2 . 17607 1 844 . 1 1 72 72 PHE CE1 C 13 131.7650 0.3 . 2 . . . A 72 PHE CE1 . 17607 1 845 . 1 1 72 72 PHE CE2 C 13 131.7650 0.3 . 2 . . . A 72 PHE CE2 . 17607 1 846 . 1 1 72 72 PHE N N 15 120.4030 0.3 . 1 . . . A 72 PHE N . 17607 1 847 . 1 1 73 73 GLN H H 1 9.0810 0.02 . 1 . . . A 73 GLN H . 17607 1 848 . 1 1 73 73 GLN HA H 1 4.8870 0.02 . 1 . . . A 73 GLN HA . 17607 1 849 . 1 1 73 73 GLN HB2 H 1 2.1360 0.02 . 2 . . . A 73 GLN HB2 . 17607 1 850 . 1 1 73 73 GLN HB3 H 1 1.8290 0.02 . 2 . . . A 73 GLN HB3 . 17607 1 851 . 1 1 73 73 GLN HG2 H 1 2.3420 0.02 . 2 . . . A 73 GLN HG2 . 17607 1 852 . 1 1 73 73 GLN HG3 H 1 2.2460 0.02 . 2 . . . A 73 GLN HG3 . 17607 1 853 . 1 1 73 73 GLN HE21 H 1 7.5630 0.02 . 2 . . . A 73 GLN HE21 . 17607 1 854 . 1 1 73 73 GLN HE22 H 1 6.8590 0.02 . 2 . . . A 73 GLN HE22 . 17607 1 855 . 1 1 73 73 GLN C C 13 174.9160 0.3 . 1 . . . A 73 GLN C . 17607 1 856 . 1 1 73 73 GLN CA C 13 53.6570 0.3 . 1 . . . A 73 GLN CA . 17607 1 857 . 1 1 73 73 GLN CB C 13 32.6570 0.3 . 1 . . . A 73 GLN CB . 17607 1 858 . 1 1 73 73 GLN CG C 13 33.4920 0.3 . 1 . . . A 73 GLN CG . 17607 1 859 . 1 1 73 73 GLN N N 15 119.8000 0.3 . 1 . . . A 73 GLN N . 17607 1 860 . 1 1 73 73 GLN NE2 N 15 112.4960 0.3 . 1 . . . A 73 GLN NE2 . 17607 1 861 . 1 1 74 74 GLU H H 1 8.8250 0.02 . 1 . . . A 74 GLU H . 17607 1 862 . 1 1 74 74 GLU HA H 1 4.7730 0.02 . 1 . . . A 74 GLU HA . 17607 1 863 . 1 1 74 74 GLU HB2 H 1 1.9600 0.02 . 2 . . . A 74 GLU HB2 . 17607 1 864 . 1 1 74 74 GLU HB3 H 1 2.1110 0.02 . 2 . . . A 74 GLU HB3 . 17607 1 865 . 1 1 74 74 GLU HG2 H 1 2.4320 0.02 . 2 . . . A 74 GLU HG2 . 17607 1 866 . 1 1 74 74 GLU HG3 H 1 2.1910 0.02 . 2 . . . A 74 GLU HG3 . 17607 1 867 . 1 1 74 74 GLU C C 13 176.4010 0.3 . 1 . . . A 74 GLU C . 17607 1 868 . 1 1 74 74 GLU CA C 13 57.4120 0.3 . 1 . . . A 74 GLU CA . 17607 1 869 . 1 1 74 74 GLU CB C 13 31.2530 0.3 . 1 . . . A 74 GLU CB . 17607 1 870 . 1 1 74 74 GLU CG C 13 37.6200 0.3 . 1 . . . A 74 GLU CG . 17607 1 871 . 1 1 74 74 GLU N N 15 122.6210 0.3 . 1 . . . A 74 GLU N . 17607 1 872 . 1 1 75 75 ALA H H 1 9.3240 0.02 . 1 . . . A 75 ALA H . 17607 1 873 . 1 1 75 75 ALA HA H 1 5.1750 0.02 . 1 . . . A 75 ALA HA . 17607 1 874 . 1 1 75 75 ALA HB1 H 1 1.1790 0.02 . 1 . . . A 75 ALA HB1 . 17607 1 875 . 1 1 75 75 ALA HB2 H 1 1.1790 0.02 . 1 . . . A 75 ALA HB2 . 17607 1 876 . 1 1 75 75 ALA HB3 H 1 1.1790 0.02 . 1 . . . A 75 ALA HB3 . 17607 1 877 . 1 1 75 75 ALA C C 13 174.1600 0.3 . 1 . . . A 75 ALA C . 17607 1 878 . 1 1 75 75 ALA CA C 13 50.9780 0.3 . 1 . . . A 75 ALA CA . 17607 1 879 . 1 1 75 75 ALA CB C 13 24.5030 0.3 . 1 . . . A 75 ALA CB . 17607 1 880 . 1 1 75 75 ALA N N 15 127.7630 0.3 . 1 . . . A 75 ALA N . 17607 1 881 . 1 1 76 76 ILE H H 1 8.6490 0.02 . 1 . . . A 76 ILE H . 17607 1 882 . 1 1 76 76 ILE HA H 1 5.2220 0.02 . 1 . . . A 76 ILE HA . 17607 1 883 . 1 1 76 76 ILE HB H 1 1.6030 0.02 . 1 . . . A 76 ILE HB . 17607 1 884 . 1 1 76 76 ILE HG12 H 1 1.4870 0.02 . 2 . . . A 76 ILE HG12 . 17607 1 885 . 1 1 76 76 ILE HG13 H 1 1.0120 0.02 . 2 . . . A 76 ILE HG13 . 17607 1 886 . 1 1 76 76 ILE HG21 H 1 0.8170 0.02 . 1 . . . A 76 ILE HG21 . 17607 1 887 . 1 1 76 76 ILE HG22 H 1 0.8170 0.02 . 1 . . . A 76 ILE HG22 . 17607 1 888 . 1 1 76 76 ILE HG23 H 1 0.8170 0.02 . 1 . . . A 76 ILE HG23 . 17607 1 889 . 1 1 76 76 ILE HD11 H 1 0.8640 0.02 . 1 . . . A 76 ILE HD11 . 17607 1 890 . 1 1 76 76 ILE HD12 H 1 0.8640 0.02 . 1 . . . A 76 ILE HD12 . 17607 1 891 . 1 1 76 76 ILE HD13 H 1 0.8640 0.02 . 1 . . . A 76 ILE HD13 . 17607 1 892 . 1 1 76 76 ILE C C 13 177.1500 0.3 . 1 . . . A 76 ILE C . 17607 1 893 . 1 1 76 76 ILE CA C 13 59.1170 0.3 . 1 . . . A 76 ILE CA . 17607 1 894 . 1 1 76 76 ILE CB C 13 41.8900 0.3 . 1 . . . A 76 ILE CB . 17607 1 895 . 1 1 76 76 ILE CG1 C 13 28.5910 0.3 . 1 . . . A 76 ILE CG1 . 17607 1 896 . 1 1 76 76 ILE CG2 C 13 17.4590 0.3 . 1 . . . A 76 ILE CG2 . 17607 1 897 . 1 1 76 76 ILE CD1 C 13 13.9635 0.3 . 1 . . . A 76 ILE CD1 . 17607 1 898 . 1 1 76 76 ILE N N 15 118.3350 0.3 . 1 . . . A 76 ILE N . 17607 1 899 . 1 1 77 77 ILE H H 1 8.3490 0.02 . 1 . . . A 77 ILE H . 17607 1 900 . 1 1 77 77 ILE HA H 1 4.0980 0.02 . 1 . . . A 77 ILE HA . 17607 1 901 . 1 1 77 77 ILE HB H 1 2.2410 0.02 . 1 . . . A 77 ILE HB . 17607 1 902 . 1 1 77 77 ILE HG12 H 1 1.8500 0.02 . 2 . . . A 77 ILE HG12 . 17607 1 903 . 1 1 77 77 ILE HG21 H 1 0.7310 0.02 . 1 . . . A 77 ILE HG21 . 17607 1 904 . 1 1 77 77 ILE HG22 H 1 0.7310 0.02 . 1 . . . A 77 ILE HG22 . 17607 1 905 . 1 1 77 77 ILE HG23 H 1 0.7310 0.02 . 1 . . . A 77 ILE HG23 . 17607 1 906 . 1 1 77 77 ILE HD11 H 1 1.0120 0.02 . 1 . . . A 77 ILE HD11 . 17607 1 907 . 1 1 77 77 ILE HD12 H 1 1.0120 0.02 . 1 . . . A 77 ILE HD12 . 17607 1 908 . 1 1 77 77 ILE HD13 H 1 1.0120 0.02 . 1 . . . A 77 ILE HD13 . 17607 1 909 . 1 1 77 77 ILE C C 13 176.7390 0.3 . 1 . . . A 77 ILE C . 17607 1 910 . 1 1 77 77 ILE CA C 13 63.9870 0.3 . 1 . . . A 77 ILE CA . 17607 1 911 . 1 1 77 77 ILE CB C 13 37.0240 0.3 . 1 . . . A 77 ILE CB . 17607 1 912 . 1 1 77 77 ILE CG1 C 13 28.4350 0.3 . 1 . . . A 77 ILE CG1 . 17607 1 913 . 1 1 77 77 ILE CG2 C 13 18.1820 0.3 . 1 . . . A 77 ILE CG2 . 17607 1 914 . 1 1 77 77 ILE CD1 C 13 15.0392 0.3 . 1 . . . A 77 ILE CD1 . 17607 1 915 . 1 1 77 77 ILE N N 15 124.6190 0.3 . 1 . . . A 77 ILE N . 17607 1 916 . 1 1 78 78 SER H H 1 9.7100 0.02 . 1 . . . A 78 SER H . 17607 1 917 . 1 1 78 78 SER HA H 1 4.6990 0.02 . 1 . . . A 78 SER HA . 17607 1 918 . 1 1 78 78 SER HB2 H 1 3.6370 0.02 . 2 . . . A 78 SER HB2 . 17607 1 919 . 1 1 78 78 SER HB3 H 1 3.6900 0.02 . 2 . . . A 78 SER HB3 . 17607 1 920 . 1 1 78 78 SER C C 13 174.1180 0.3 . 1 . . . A 78 SER C . 17607 1 921 . 1 1 78 78 SER CA C 13 58.9070 0.3 . 1 . . . A 78 SER CA . 17607 1 922 . 1 1 78 78 SER CB C 13 64.7270 0.3 . 1 . . . A 78 SER CB . 17607 1 923 . 1 1 78 78 SER N N 15 126.7800 0.3 . 1 . . . A 78 SER N . 17607 1 924 . 1 1 79 79 LYS H H 1 7.8680 0.02 . 1 . . . A 79 LYS H . 17607 1 925 . 1 1 79 79 LYS HA H 1 4.3820 0.02 . 1 . . . A 79 LYS HA . 17607 1 926 . 1 1 79 79 LYS HB2 H 1 1.8260 0.02 . 2 . . . A 79 LYS HB2 . 17607 1 927 . 1 1 79 79 LYS HB3 H 1 1.6790 0.02 . 2 . . . A 79 LYS HB3 . 17607 1 928 . 1 1 79 79 LYS HG2 H 1 1.4560 0.02 . 2 . . . A 79 LYS HG2 . 17607 1 929 . 1 1 79 79 LYS HG3 H 1 1.3790 0.02 . 2 . . . A 79 LYS HG3 . 17607 1 930 . 1 1 79 79 LYS C C 13 173.0100 0.3 . 1 . . . A 79 LYS C . 17607 1 931 . 1 1 79 79 LYS CA C 13 56.6730 0.3 . 1 . . . A 79 LYS CA . 17607 1 932 . 1 1 79 79 LYS CB C 13 36.8650 0.3 . 1 . . . A 79 LYS CB . 17607 1 933 . 1 1 79 79 LYS CG C 13 25.0880 0.3 . 1 . . . A 79 LYS CG . 17607 1 934 . 1 1 79 79 LYS CD C 13 29.2910 0.3 . 1 . . . A 79 LYS CD . 17607 1 935 . 1 1 79 79 LYS CE C 13 42.2910 0.3 . 1 . . . A 79 LYS CE . 17607 1 936 . 1 1 79 79 LYS N N 15 121.1770 0.3 . 1 . . . A 79 LYS N . 17607 1 937 . 1 1 80 80 LEU H H 1 8.6920 0.02 . 1 . . . A 80 LEU H . 17607 1 938 . 1 1 80 80 LEU HA H 1 5.0260 0.02 . 1 . . . A 80 LEU HA . 17607 1 939 . 1 1 80 80 LEU HB2 H 1 1.3040 0.02 . 2 . . . A 80 LEU HB2 . 17607 1 940 . 1 1 80 80 LEU HB3 H 1 1.6740 0.02 . 2 . . . A 80 LEU HB3 . 17607 1 941 . 1 1 80 80 LEU HG H 1 0.8900 0.02 . 1 . . . A 80 LEU HG . 17607 1 942 . 1 1 80 80 LEU HD11 H 1 0.7700 0.02 . 2 . . . A 80 LEU HD11 . 17607 1 943 . 1 1 80 80 LEU HD12 H 1 0.7700 0.02 . 2 . . . A 80 LEU HD12 . 17607 1 944 . 1 1 80 80 LEU HD13 H 1 0.7700 0.02 . 2 . . . A 80 LEU HD13 . 17607 1 945 . 1 1 80 80 LEU C C 13 175.8190 0.3 . 1 . . . A 80 LEU C . 17607 1 946 . 1 1 80 80 LEU CA C 13 54.1060 0.3 . 1 . . . A 80 LEU CA . 17607 1 947 . 1 1 80 80 LEU CB C 13 45.5530 0.3 . 1 . . . A 80 LEU CB . 17607 1 948 . 1 1 80 80 LEU CG C 13 27.2700 0.3 . 1 . . . A 80 LEU CG . 17607 1 949 . 1 1 80 80 LEU CD1 C 13 26.4110 0.3 . 2 . . . A 80 LEU CD1 . 17607 1 950 . 1 1 80 80 LEU N N 15 125.1020 0.3 . 1 . . . A 80 LEU N . 17607 1 951 . 1 1 81 81 THR H H 1 8.7500 0.02 . 1 . . . A 81 THR H . 17607 1 952 . 1 1 81 81 THR HA H 1 4.5460 0.02 . 1 . . . A 81 THR HA . 17607 1 953 . 1 1 81 81 THR HB H 1 3.9230 0.02 . 1 . . . A 81 THR HB . 17607 1 954 . 1 1 81 81 THR HG21 H 1 1.1690 0.02 . 1 . . . A 81 THR HG21 . 17607 1 955 . 1 1 81 81 THR HG22 H 1 1.1690 0.02 . 1 . . . A 81 THR HG22 . 17607 1 956 . 1 1 81 81 THR HG23 H 1 1.1690 0.02 . 1 . . . A 81 THR HG23 . 17607 1 957 . 1 1 81 81 THR C C 13 173.0180 0.3 . 1 . . . A 81 THR C . 17607 1 958 . 1 1 81 81 THR CA C 13 61.7540 0.3 . 1 . . . A 81 THR CA . 17607 1 959 . 1 1 81 81 THR CB C 13 71.8511 0.3 . 1 . . . A 81 THR CB . 17607 1 960 . 1 1 81 81 THR CG2 C 13 21.3190 0.3 . 1 . . . A 81 THR CG2 . 17607 1 961 . 1 1 81 81 THR N N 15 118.1060 0.3 . 1 . . . A 81 THR N . 17607 1 962 . 1 1 82 82 ASP H H 1 9.3390 0.02 . 1 . . . A 82 ASP H . 17607 1 963 . 1 1 82 82 ASP HA H 1 4.8400 0.02 . 1 . . . A 82 ASP HA . 17607 1 964 . 1 1 82 82 ASP CA C 13 54.8290 0.3 . 1 . . . A 82 ASP CA . 17607 1 965 . 1 1 82 82 ASP CB C 13 39.6340 0.3 . 1 . . . A 82 ASP CB . 17607 1 966 . 1 1 82 82 ASP N N 15 126.5990 0.3 . 1 . . . A 82 ASP N . 17607 1 967 . 1 1 83 83 ALA H H 1 9.1130 0.02 . 1 . . . A 83 ALA H . 17607 1 968 . 1 1 83 83 ALA HA H 1 4.6800 0.02 . 1 . . . A 83 ALA HA . 17607 1 969 . 1 1 83 83 ALA HB1 H 1 1.2530 0.02 . 1 . . . A 83 ALA HB1 . 17607 1 970 . 1 1 83 83 ALA HB2 H 1 1.2530 0.02 . 1 . . . A 83 ALA HB2 . 17607 1 971 . 1 1 83 83 ALA HB3 H 1 1.2530 0.02 . 1 . . . A 83 ALA HB3 . 17607 1 972 . 1 1 83 83 ALA C C 13 176.5600 0.3 . 1 . . . A 83 ALA C . 17607 1 973 . 1 1 83 83 ALA CA C 13 50.7760 0.3 . 1 . . . A 83 ALA CA . 17607 1 974 . 1 1 83 83 ALA CB C 13 18.9060 0.3 . 1 . . . A 83 ALA CB . 17607 1 975 . 1 1 83 83 ALA N N 15 136.1520 0.3 . 1 . . . A 83 ALA N . 17607 1 976 . 1 1 84 84 SER H H 1 8.3170 0.02 . 1 . . . A 84 SER H . 17607 1 977 . 1 1 84 84 SER HA H 1 4.4750 0.02 . 1 . . . A 84 SER HA . 17607 1 978 . 1 1 84 84 SER HB2 H 1 3.1790 0.02 . 2 . . . A 84 SER HB2 . 17607 1 979 . 1 1 84 84 SER HB3 H 1 3.6560 0.02 . 2 . . . A 84 SER HB3 . 17607 1 980 . 1 1 84 84 SER HG H 1 6.2200 0.02 . 1 . . . A 84 SER HG . 17607 1 981 . 1 1 84 84 SER C C 13 173.8080 0.3 . 1 . . . A 84 SER C . 17607 1 982 . 1 1 84 84 SER CA C 13 59.7660 0.3 . 1 . . . A 84 SER CA . 17607 1 983 . 1 1 84 84 SER CB C 13 63.3510 0.3 . 1 . . . A 84 SER CB . 17607 1 984 . 1 1 84 84 SER N N 15 116.3690 0.3 . 1 . . . A 84 SER N . 17607 1 985 . 1 1 85 85 TRP H H 1 8.0770 0.02 . 1 . . . A 85 TRP H . 17607 1 986 . 1 1 85 85 TRP HA H 1 4.7990 0.02 . 1 . . . A 85 TRP HA . 17607 1 987 . 1 1 85 85 TRP HB3 H 1 2.8840 0.02 . 2 . . . A 85 TRP HB3 . 17607 1 988 . 1 1 85 85 TRP HD1 H 1 7.1920 0.02 . 1 . . . A 85 TRP HD1 . 17607 1 989 . 1 1 85 85 TRP HE1 H 1 10.1400 0.02 . 1 . . . A 85 TRP HE1 . 17607 1 990 . 1 1 85 85 TRP HE3 H 1 7.3460 0.02 . 1 . . . A 85 TRP HE3 . 17607 1 991 . 1 1 85 85 TRP HZ2 H 1 7.4770 0.02 . 1 . . . A 85 TRP HZ2 . 17607 1 992 . 1 1 85 85 TRP HZ3 H 1 7.0890 0.02 . 1 . . . A 85 TRP HZ3 . 17607 1 993 . 1 1 85 85 TRP HH2 H 1 7.2180 0.02 . 1 . . . A 85 TRP HH2 . 17607 1 994 . 1 1 85 85 TRP C C 13 175.6080 0.3 . 1 . . . A 85 TRP C . 17607 1 995 . 1 1 85 85 TRP CA C 13 56.5580 0.3 . 1 . . . A 85 TRP CA . 17607 1 996 . 1 1 85 85 TRP CB C 13 31.8650 0.3 . 1 . . . A 85 TRP CB . 17607 1 997 . 1 1 85 85 TRP CD1 C 13 127.5990 0.3 . 1 . . . A 85 TRP CD1 . 17607 1 998 . 1 1 85 85 TRP CE3 C 13 120.5980 0.3 . 1 . . . A 85 TRP CE3 . 17607 1 999 . 1 1 85 85 TRP CZ2 C 13 114.6650 0.3 . 1 . . . A 85 TRP CZ2 . 17607 1 1000 . 1 1 85 85 TRP CZ3 C 13 122.3100 0.3 . 1 . . . A 85 TRP CZ3 . 17607 1 1001 . 1 1 85 85 TRP CH2 C 13 124.8940 0.3 . 1 . . . A 85 TRP CH2 . 17607 1 1002 . 1 1 85 85 TRP N N 15 119.7230 0.3 . 1 . . . A 85 TRP N . 17607 1 1003 . 1 1 85 85 TRP NE1 N 15 129.5540 0.3 . 1 . . . A 85 TRP NE1 . 17607 1 1004 . 1 1 86 86 TYR H H 1 9.6100 0.02 . 1 . . . A 86 TYR H . 17607 1 1005 . 1 1 86 86 TYR HA H 1 4.9920 0.02 . 1 . . . A 86 TYR HA . 17607 1 1006 . 1 1 86 86 TYR HB2 H 1 2.8410 0.02 . 2 . . . A 86 TYR HB2 . 17607 1 1007 . 1 1 86 86 TYR HB3 H 1 2.5450 0.02 . 2 . . . A 86 TYR HB3 . 17607 1 1008 . 1 1 86 86 TYR HD1 H 1 6.9200 0.02 . 1 . . . A 86 TYR HD1 . 17607 1 1009 . 1 1 86 86 TYR HD2 H 1 6.9200 0.02 . 1 . . . A 86 TYR HD2 . 17607 1 1010 . 1 1 86 86 TYR HE1 H 1 6.7300 0.02 . 1 . . . A 86 TYR HE1 . 17607 1 1011 . 1 1 86 86 TYR HE2 H 1 6.7300 0.02 . 1 . . . A 86 TYR HE2 . 17607 1 1012 . 1 1 86 86 TYR CA C 13 57.6390 0.3 . 1 . . . A 86 TYR CA . 17607 1 1013 . 1 1 86 86 TYR CB C 13 40.7420 0.3 . 1 . . . A 86 TYR CB . 17607 1 1014 . 1 1 86 86 TYR CD1 C 13 133.3400 0.3 . 1 . . . A 86 TYR CD1 . 17607 1 1015 . 1 1 86 86 TYR CD2 C 13 133.3400 0.3 . 1 . . . A 86 TYR CD2 . 17607 1 1016 . 1 1 86 86 TYR CE1 C 13 117.7100 0.3 . 1 . . . A 86 TYR CE1 . 17607 1 1017 . 1 1 86 86 TYR CE2 C 13 117.7100 0.3 . 1 . . . A 86 TYR CE2 . 17607 1 1018 . 1 1 86 86 TYR N N 15 124.3090 0.3 . 1 . . . A 86 TYR N . 17607 1 1019 . 1 1 87 87 THR H H 1 9.3250 0.02 . 1 . . . A 87 THR H . 17607 1 1020 . 1 1 87 87 THR HA H 1 5.3100 0.02 . 1 . . . A 87 THR HA . 17607 1 1021 . 1 1 87 87 THR HB H 1 4.0990 0.02 . 1 . . . A 87 THR HB . 17607 1 1022 . 1 1 87 87 THR HG21 H 1 1.1280 0.02 . 1 . . . A 87 THR HG21 . 17607 1 1023 . 1 1 87 87 THR HG22 H 1 1.1280 0.02 . 1 . . . A 87 THR HG22 . 17607 1 1024 . 1 1 87 87 THR HG23 H 1 1.1280 0.02 . 1 . . . A 87 THR HG23 . 17607 1 1025 . 1 1 87 87 THR C C 13 174.2900 0.3 . 1 . . . A 87 THR C . 17607 1 1026 . 1 1 87 87 THR CA C 13 62.6600 0.3 . 1 . . . A 87 THR CA . 17607 1 1027 . 1 1 87 87 THR CB C 13 68.8217 0.3 . 1 . . . A 87 THR CB . 17607 1 1028 . 1 1 87 87 THR CG2 C 13 21.7360 0.3 . 1 . . . A 87 THR CG2 . 17607 1 1029 . 1 1 87 87 THR N N 15 122.6570 0.3 . 1 . . . A 87 THR N . 17607 1 1030 . 1 1 88 88 VAL H H 1 9.4420 0.02 . 1 . . . A 88 VAL H . 17607 1 1031 . 1 1 88 88 VAL HA H 1 5.0830 0.02 . 1 . . . A 88 VAL HA . 17607 1 1032 . 1 1 88 88 VAL HB H 1 1.4900 0.02 . 1 . . . A 88 VAL HB . 17607 1 1033 . 1 1 88 88 VAL HG11 H 1 0.5400 0.02 . 1 . . . A 88 VAL HG11 . 17607 1 1034 . 1 1 88 88 VAL HG12 H 1 0.5400 0.02 . 1 . . . A 88 VAL HG12 . 17607 1 1035 . 1 1 88 88 VAL HG13 H 1 0.5400 0.02 . 1 . . . A 88 VAL HG13 . 17607 1 1036 . 1 1 88 88 VAL HG21 H 1 0.3560 0.02 . 1 . . . A 88 VAL HG21 . 17607 1 1037 . 1 1 88 88 VAL HG22 H 1 0.3560 0.02 . 1 . . . A 88 VAL HG22 . 17607 1 1038 . 1 1 88 88 VAL HG23 H 1 0.3560 0.02 . 1 . . . A 88 VAL HG23 . 17607 1 1039 . 1 1 88 88 VAL C C 13 172.7260 0.3 . 1 . . . A 88 VAL C . 17607 1 1040 . 1 1 88 88 VAL CA C 13 58.0710 0.3 . 1 . . . A 88 VAL CA . 17607 1 1041 . 1 1 88 88 VAL CB C 13 33.4040 0.3 . 1 . . . A 88 VAL CB . 17607 1 1042 . 1 1 88 88 VAL CG1 C 13 21.9260 0.3 . 1 . . . A 88 VAL CG1 . 17607 1 1043 . 1 1 88 88 VAL CG2 C 13 19.4290 0.3 . 1 . . . A 88 VAL CG2 . 17607 1 1044 . 1 1 88 88 VAL N N 15 123.6130 0.3 . 1 . . . A 88 VAL N . 17607 1 1045 . 1 1 89 89 VAL H H 1 8.4350 0.02 . 1 . . . A 89 VAL H . 17607 1 1046 . 1 1 89 89 VAL HA H 1 4.9180 0.02 . 1 . . . A 89 VAL HA . 17607 1 1047 . 1 1 89 89 VAL HB H 1 1.7750 0.02 . 1 . . . A 89 VAL HB . 17607 1 1048 . 1 1 89 89 VAL HG11 H 1 0.9930 0.02 . 2 . . . A 89 VAL HG11 . 17607 1 1049 . 1 1 89 89 VAL HG12 H 1 0.9930 0.02 . 2 . . . A 89 VAL HG12 . 17607 1 1050 . 1 1 89 89 VAL HG13 H 1 0.9930 0.02 . 2 . . . A 89 VAL HG13 . 17607 1 1051 . 1 1 89 89 VAL HG21 H 1 1.0000 0.02 . 2 . . . A 89 VAL HG21 . 17607 1 1052 . 1 1 89 89 VAL HG22 H 1 1.0000 0.02 . 2 . . . A 89 VAL HG22 . 17607 1 1053 . 1 1 89 89 VAL HG23 H 1 1.0000 0.02 . 2 . . . A 89 VAL HG23 . 17607 1 1054 . 1 1 89 89 VAL C C 13 176.1760 0.3 . 1 . . . A 89 VAL C . 17607 1 1055 . 1 1 89 89 VAL CA C 13 59.3600 0.3 . 1 . . . A 89 VAL CA . 17607 1 1056 . 1 1 89 89 VAL CB C 13 34.7820 0.3 . 1 . . . A 89 VAL CB . 17607 1 1057 . 1 1 89 89 VAL CG1 C 13 20.1310 0.3 . 2 . . . A 89 VAL CG1 . 17607 1 1058 . 1 1 89 89 VAL CG2 C 13 21.8480 0.3 . 2 . . . A 89 VAL CG2 . 17607 1 1059 . 1 1 89 89 VAL N N 15 119.2860 0.3 . 1 . . . A 89 VAL N . 17607 1 1060 . 1 1 90 90 PHE H H 1 8.7350 0.02 . 1 . . . A 90 PHE H . 17607 1 1061 . 1 1 90 90 PHE HA H 1 4.7470 0.02 . 1 . . . A 90 PHE HA . 17607 1 1062 . 1 1 90 90 PHE HB2 H 1 2.8180 0.02 . 2 . . . A 90 PHE HB2 . 17607 1 1063 . 1 1 90 90 PHE HB3 H 1 3.2950 0.02 . 2 . . . A 90 PHE HB3 . 17607 1 1064 . 1 1 90 90 PHE HD1 H 1 6.9660 0.02 . 1 . . . A 90 PHE HD1 . 17607 1 1065 . 1 1 90 90 PHE HD2 H 1 6.9660 0.02 . 1 . . . A 90 PHE HD2 . 17607 1 1066 . 1 1 90 90 PHE HE1 H 1 6.7840 0.02 . 1 . . . A 90 PHE HE1 . 17607 1 1067 . 1 1 90 90 PHE HE2 H 1 6.7840 0.02 . 1 . . . A 90 PHE HE2 . 17607 1 1068 . 1 1 90 90 PHE C C 13 177.7310 0.3 . 1 . . . A 90 PHE C . 17607 1 1069 . 1 1 90 90 PHE CA C 13 58.0650 0.3 . 1 . . . A 90 PHE CA . 17607 1 1070 . 1 1 90 90 PHE CB C 13 40.3170 0.3 . 1 . . . A 90 PHE CB . 17607 1 1071 . 1 1 90 90 PHE CD1 C 13 132.1350 0.3 . 1 . . . A 90 PHE CD1 . 17607 1 1072 . 1 1 90 90 PHE CD2 C 13 132.1350 0.3 . 1 . . . A 90 PHE CD2 . 17607 1 1073 . 1 1 90 90 PHE CE1 C 13 130.6230 0.3 . 1 . . . A 90 PHE CE1 . 17607 1 1074 . 1 1 90 90 PHE CE2 C 13 130.6230 0.3 . 1 . . . A 90 PHE CE2 . 17607 1 1075 . 1 1 90 90 PHE N N 15 127.9340 0.3 . 1 . . . A 90 PHE N . 17607 1 1076 . 1 1 91 91 ASP H H 1 9.2760 0.02 . 1 . . . A 91 ASP H . 17607 1 1077 . 1 1 91 91 ASP HA H 1 4.3570 0.02 . 1 . . . A 91 ASP HA . 17607 1 1078 . 1 1 91 91 ASP HB2 H 1 2.7760 0.02 . 2 . . . A 91 ASP HB2 . 17607 1 1079 . 1 1 91 91 ASP HB3 H 1 2.8430 0.02 . 2 . . . A 91 ASP HB3 . 17607 1 1080 . 1 1 91 91 ASP CA C 13 57.4710 0.3 . 1 . . . A 91 ASP CA . 17607 1 1081 . 1 1 91 91 ASP CB C 13 40.6590 0.3 . 1 . . . A 91 ASP CB . 17607 1 1082 . 1 1 91 91 ASP N N 15 121.6030 0.3 . 1 . . . A 91 ASP N . 17607 1 1083 . 1 1 92 92 ASP H H 1 8.0180 0.02 . 1 . . . A 92 ASP H . 17607 1 1084 . 1 1 92 92 ASP HA H 1 4.5740 0.02 . 1 . . . A 92 ASP HA . 17607 1 1085 . 1 1 92 92 ASP HB2 H 1 2.7070 0.02 . 2 . . . A 92 ASP HB2 . 17607 1 1086 . 1 1 92 92 ASP HB3 H 1 3.0720 0.02 . 2 . . . A 92 ASP HB3 . 17607 1 1087 . 1 1 92 92 ASP C C 13 177.6180 0.3 . 1 . . . A 92 ASP C . 17607 1 1088 . 1 1 92 92 ASP CA C 13 53.4760 0.3 . 1 . . . A 92 ASP CA . 17607 1 1089 . 1 1 92 92 ASP CB C 13 40.1280 0.3 . 1 . . . A 92 ASP CB . 17607 1 1090 . 1 1 92 92 ASP N N 15 116.2730 0.3 . 1 . . . A 92 ASP N . 17607 1 1091 . 1 1 93 93 GLY H H 1 8.3470 0.02 . 1 . . . A 93 GLY H . 17607 1 1092 . 1 1 93 93 GLY HA2 H 1 3.5750 0.02 . 2 . . . A 93 GLY HA2 . 17607 1 1093 . 1 1 93 93 GLY HA3 H 1 4.3490 0.02 . 2 . . . A 93 GLY HA3 . 17607 1 1094 . 1 1 93 93 GLY C C 13 174.4060 0.3 . 1 . . . A 93 GLY C . 17607 1 1095 . 1 1 93 93 GLY CA C 13 45.0530 0.3 . 1 . . . A 93 GLY CA . 17607 1 1096 . 1 1 93 93 GLY N N 15 109.0420 0.3 . 1 . . . A 93 GLY N . 17607 1 1097 . 1 1 94 94 ASP H H 1 8.2740 0.02 . 1 . . . A 94 ASP H . 17607 1 1098 . 1 1 94 94 ASP HA H 1 4.7020 0.02 . 1 . . . A 94 ASP HA . 17607 1 1099 . 1 1 94 94 ASP HB2 H 1 3.0070 0.02 . 2 . . . A 94 ASP HB2 . 17607 1 1100 . 1 1 94 94 ASP HB3 H 1 2.6750 0.02 . 2 . . . A 94 ASP HB3 . 17607 1 1101 . 1 1 94 94 ASP C C 13 174.6200 0.3 . 1 . . . A 94 ASP C . 17607 1 1102 . 1 1 94 94 ASP CA C 13 54.7450 0.3 . 1 . . . A 94 ASP CA . 17607 1 1103 . 1 1 94 94 ASP CB C 13 41.3030 0.3 . 1 . . . A 94 ASP CB . 17607 1 1104 . 1 1 94 94 ASP N N 15 123.1820 0.3 . 1 . . . A 94 ASP N . 17607 1 1105 . 1 1 95 95 GLU H H 1 8.3870 0.02 . 1 . . . A 95 GLU H . 17607 1 1106 . 1 1 95 95 GLU HA H 1 5.7860 0.02 . 1 . . . A 95 GLU HA . 17607 1 1107 . 1 1 95 95 GLU HB2 H 1 1.7750 0.02 . 2 . . . A 95 GLU HB2 . 17607 1 1108 . 1 1 95 95 GLU HB3 H 1 1.8460 0.02 . 2 . . . A 95 GLU HB3 . 17607 1 1109 . 1 1 95 95 GLU HG2 H 1 2.2540 0.02 . 2 . . . A 95 GLU HG2 . 17607 1 1110 . 1 1 95 95 GLU HG3 H 1 2.0950 0.02 . 2 . . . A 95 GLU HG3 . 17607 1 1111 . 1 1 95 95 GLU C C 13 177.6400 0.3 . 1 . . . A 95 GLU C . 17607 1 1112 . 1 1 95 95 GLU CA C 13 54.2310 0.3 . 1 . . . A 95 GLU CA . 17607 1 1113 . 1 1 95 95 GLU CB C 13 33.8650 0.3 . 1 . . . A 95 GLU CB . 17607 1 1114 . 1 1 95 95 GLU CG C 13 36.2060 0.3 . 1 . . . A 95 GLU CG . 17607 1 1115 . 1 1 95 95 GLU N N 15 118.1490 0.3 . 1 . . . A 95 GLU N . 17607 1 1116 . 1 1 96 96 ARG H H 1 8.5190 0.02 . 1 . . . A 96 ARG H . 17607 1 1117 . 1 1 96 96 ARG HA H 1 4.8650 0.02 . 1 . . . A 96 ARG HA . 17607 1 1118 . 1 1 96 96 ARG HB2 H 1 1.8800 0.02 . 2 . . . A 96 ARG HB2 . 17607 1 1119 . 1 1 96 96 ARG HB3 H 1 1.6490 0.02 . 2 . . . A 96 ARG HB3 . 17607 1 1120 . 1 1 96 96 ARG HD2 H 1 3.5840 0.02 . 2 . . . A 96 ARG HD2 . 17607 1 1121 . 1 1 96 96 ARG HD3 H 1 3.2970 0.02 . 2 . . . A 96 ARG HD3 . 17607 1 1122 . 1 1 96 96 ARG C C 13 174.7210 0.3 . 1 . . . A 96 ARG C . 17607 1 1123 . 1 1 96 96 ARG CA C 13 54.0260 0.3 . 1 . . . A 96 ARG CA . 17607 1 1124 . 1 1 96 96 ARG CB C 13 35.1780 0.3 . 1 . . . A 96 ARG CB . 17607 1 1125 . 1 1 96 96 ARG CG C 13 27.3880 0.3 . 1 . . . A 96 ARG CG . 17607 1 1126 . 1 1 96 96 ARG CD C 13 43.0730 0.3 . 1 . . . A 96 ARG CD . 17607 1 1127 . 1 1 96 96 ARG N N 15 119.8340 0.3 . 1 . . . A 96 ARG N . 17607 1 1128 . 1 1 97 97 THR H H 1 9.0080 0.02 . 1 . . . A 97 THR H . 17607 1 1129 . 1 1 97 97 THR HA H 1 5.4410 0.02 . 1 . . . A 97 THR HA . 17607 1 1130 . 1 1 97 97 THR HB H 1 3.9380 0.02 . 1 . . . A 97 THR HB . 17607 1 1131 . 1 1 97 97 THR HG21 H 1 1.1700 0.02 . 1 . . . A 97 THR HG21 . 17607 1 1132 . 1 1 97 97 THR HG22 H 1 1.1700 0.02 . 1 . . . A 97 THR HG22 . 17607 1 1133 . 1 1 97 97 THR HG23 H 1 1.1700 0.02 . 1 . . . A 97 THR HG23 . 17607 1 1134 . 1 1 97 97 THR C C 13 174.0230 0.3 . 1 . . . A 97 THR C . 17607 1 1135 . 1 1 97 97 THR CA C 13 62.8040 0.3 . 1 . . . A 97 THR CA . 17607 1 1136 . 1 1 97 97 THR CB C 13 69.4867 0.3 . 1 . . . A 97 THR CB . 17607 1 1137 . 1 1 97 97 THR CG2 C 13 22.2380 0.3 . 1 . . . A 97 THR CG2 . 17607 1 1138 . 1 1 97 97 THR N N 15 120.3850 0.3 . 1 . . . A 97 THR N . 17607 1 1139 . 1 1 98 98 LEU H H 1 9.7030 0.02 . 1 . . . A 98 LEU H . 17607 1 1140 . 1 1 98 98 LEU HA H 1 5.1900 0.02 . 1 . . . A 98 LEU HA . 17607 1 1141 . 1 1 98 98 LEU HB2 H 1 1.9200 0.02 . 2 . . . A 98 LEU HB2 . 17607 1 1142 . 1 1 98 98 LEU HB3 H 1 1.6550 0.02 . 2 . . . A 98 LEU HB3 . 17607 1 1143 . 1 1 98 98 LEU HG H 1 0.9210 0.02 . 1 . . . A 98 LEU HG . 17607 1 1144 . 1 1 98 98 LEU HD11 H 1 1.1320 0.02 . 2 . . . A 98 LEU HD11 . 17607 1 1145 . 1 1 98 98 LEU HD12 H 1 1.1320 0.02 . 2 . . . A 98 LEU HD12 . 17607 1 1146 . 1 1 98 98 LEU HD13 H 1 1.1320 0.02 . 2 . . . A 98 LEU HD13 . 17607 1 1147 . 1 1 98 98 LEU C C 13 175.8440 0.3 . 1 . . . A 98 LEU C . 17607 1 1148 . 1 1 98 98 LEU CA C 13 53.9070 0.3 . 1 . . . A 98 LEU CA . 17607 1 1149 . 1 1 98 98 LEU CB C 13 47.9070 0.3 . 1 . . . A 98 LEU CB . 17607 1 1150 . 1 1 98 98 LEU CG C 13 26.8780 0.3 . 1 . . . A 98 LEU CG . 17607 1 1151 . 1 1 98 98 LEU CD1 C 13 23.7650 0.3 . 2 . . . A 98 LEU CD1 . 17607 1 1152 . 1 1 98 98 LEU N N 15 128.2260 0.3 . 1 . . . A 98 LEU N . 17607 1 1153 . 1 1 99 99 ARG H H 1 8.6810 0.02 . 1 . . . A 99 ARG H . 17607 1 1154 . 1 1 99 99 ARG HA H 1 4.6180 0.02 . 1 . . . A 99 ARG HA . 17607 1 1155 . 1 1 99 99 ARG HB2 H 1 2.1470 0.02 . 2 . . . A 99 ARG HB2 . 17607 1 1156 . 1 1 99 99 ARG HB3 H 1 1.7070 0.02 . 2 . . . A 99 ARG HB3 . 17607 1 1157 . 1 1 99 99 ARG HG2 H 1 1.3260 0.02 . 2 . . . A 99 ARG HG2 . 17607 1 1158 . 1 1 99 99 ARG HG3 H 1 1.1470 0.02 . 2 . . . A 99 ARG HG3 . 17607 1 1159 . 1 1 99 99 ARG HD2 H 1 2.3300 0.02 . 2 . . . A 99 ARG HD2 . 17607 1 1160 . 1 1 99 99 ARG HD3 H 1 2.5940 0.02 . 2 . . . A 99 ARG HD3 . 17607 1 1161 . 1 1 99 99 ARG C C 13 178.1080 0.3 . 1 . . . A 99 ARG C . 17607 1 1162 . 1 1 99 99 ARG CA C 13 53.4160 0.3 . 1 . . . A 99 ARG CA . 17607 1 1163 . 1 1 99 99 ARG CB C 13 31.2620 0.3 . 1 . . . A 99 ARG CB . 17607 1 1164 . 1 1 99 99 ARG CG C 13 26.4890 0.3 . 1 . . . A 99 ARG CG . 17607 1 1165 . 1 1 99 99 ARG CD C 13 41.7460 0.3 . 1 . . . A 99 ARG CD . 17607 1 1166 . 1 1 99 99 ARG N N 15 118.4180 0.3 . 1 . . . A 99 ARG N . 17607 1 1167 . 1 1 100 100 ARG H H 1 9.9520 0.02 . 1 . . . A 100 ARG H . 17607 1 1168 . 1 1 100 100 ARG HA H 1 3.8350 0.02 . 1 . . . A 100 ARG HA . 17607 1 1169 . 1 1 100 100 ARG C C 13 177.7290 0.3 . 1 . . . A 100 ARG C . 17607 1 1170 . 1 1 100 100 ARG CA C 13 57.8990 0.3 . 1 . . . A 100 ARG CA . 17607 1 1171 . 1 1 100 100 ARG CB C 13 30.2140 0.3 . 1 . . . A 100 ARG CB . 17607 1 1172 . 1 1 100 100 ARG N N 15 120.5660 0.3 . 1 . . . A 100 ARG N . 17607 1 1173 . 1 1 101 101 THR H H 1 7.4200 0.02 . 1 . . . A 101 THR H . 17607 1 1174 . 1 1 101 101 THR HA H 1 4.2830 0.02 . 1 . . . A 101 THR HA . 17607 1 1175 . 1 1 101 101 THR HB H 1 4.4830 0.02 . 1 . . . A 101 THR HB . 17607 1 1176 . 1 1 101 101 THR HG21 H 1 1.3530 0.02 . 1 . . . A 101 THR HG21 . 17607 1 1177 . 1 1 101 101 THR HG22 H 1 1.3530 0.02 . 1 . . . A 101 THR HG22 . 17607 1 1178 . 1 1 101 101 THR HG23 H 1 1.3530 0.02 . 1 . . . A 101 THR HG23 . 17607 1 1179 . 1 1 101 101 THR C C 13 176.1690 0.3 . 1 . . . A 101 THR C . 17607 1 1180 . 1 1 101 101 THR CA C 13 62.9610 0.3 . 1 . . . A 101 THR CA . 17607 1 1181 . 1 1 101 101 THR CB C 13 68.5631 0.3 . 1 . . . A 101 THR CB . 17607 1 1182 . 1 1 101 101 THR CG2 C 13 22.5500 0.3 . 1 . . . A 101 THR CG2 . 17607 1 1183 . 1 1 101 101 THR N N 15 102.8960 0.3 . 1 . . . A 101 THR N . 17607 1 1184 . 1 1 102 102 SER H H 1 7.8820 0.02 . 1 . . . A 102 SER H . 17607 1 1185 . 1 1 102 102 SER HA H 1 4.7620 0.02 . 1 . . . A 102 SER HA . 17607 1 1186 . 1 1 102 102 SER HB2 H 1 4.1120 0.02 . 2 . . . A 102 SER HB2 . 17607 1 1187 . 1 1 102 102 SER HB3 H 1 4.4430 0.02 . 2 . . . A 102 SER HB3 . 17607 1 1188 . 1 1 102 102 SER C C 13 171.8560 0.3 . 1 . . . A 102 SER C . 17607 1 1189 . 1 1 102 102 SER CA C 13 59.2750 0.3 . 1 . . . A 102 SER CA . 17607 1 1190 . 1 1 102 102 SER CB C 13 64.9450 0.3 . 1 . . . A 102 SER CB . 17607 1 1191 . 1 1 102 102 SER N N 15 116.8550 0.3 . 1 . . . A 102 SER N . 17607 1 1192 . 1 1 103 103 LEU H H 1 7.9470 0.02 . 1 . . . A 103 LEU H . 17607 1 1193 . 1 1 103 103 LEU HA H 1 5.2010 0.02 . 1 . . . A 103 LEU HA . 17607 1 1194 . 1 1 103 103 LEU HB2 H 1 1.0400 0.02 . 2 . . . A 103 LEU HB2 . 17607 1 1195 . 1 1 103 103 LEU HB3 H 1 1.7670 0.02 . 2 . . . A 103 LEU HB3 . 17607 1 1196 . 1 1 103 103 LEU HD11 H 1 0.6010 0.02 . 2 . . . A 103 LEU HD11 . 17607 1 1197 . 1 1 103 103 LEU HD12 H 1 0.6010 0.02 . 2 . . . A 103 LEU HD12 . 17607 1 1198 . 1 1 103 103 LEU HD13 H 1 0.6010 0.02 . 2 . . . A 103 LEU HD13 . 17607 1 1199 . 1 1 103 103 LEU HD21 H 1 0.3170 0.02 . 2 . . . A 103 LEU HD21 . 17607 1 1200 . 1 1 103 103 LEU HD22 H 1 0.3170 0.02 . 2 . . . A 103 LEU HD22 . 17607 1 1201 . 1 1 103 103 LEU HD23 H 1 0.3170 0.02 . 2 . . . A 103 LEU HD23 . 17607 1 1202 . 1 1 103 103 LEU C C 13 175.9800 0.3 . 1 . . . A 103 LEU C . 17607 1 1203 . 1 1 103 103 LEU CA C 13 53.4490 0.3 . 1 . . . A 103 LEU CA . 17607 1 1204 . 1 1 103 103 LEU CB C 13 44.7270 0.3 . 1 . . . A 103 LEU CB . 17607 1 1205 . 1 1 103 103 LEU CD1 C 13 24.8910 0.3 . 2 . . . A 103 LEU CD1 . 17607 1 1206 . 1 1 103 103 LEU CD2 C 13 26.0610 0.3 . 2 . . . A 103 LEU CD2 . 17607 1 1207 . 1 1 103 103 LEU N N 15 119.2860 0.3 . 1 . . . A 103 LEU N . 17607 1 1208 . 1 1 104 104 CYS H H 1 8.8630 0.02 . 1 . . . A 104 CYS H . 17607 1 1209 . 1 1 104 104 CYS HA H 1 4.8190 0.02 . 1 . . . A 104 CYS HA . 17607 1 1210 . 1 1 104 104 CYS HB2 H 1 2.7420 0.02 . 2 . . . A 104 CYS HB2 . 17607 1 1211 . 1 1 104 104 CYS HB3 H 1 2.5970 0.02 . 2 . . . A 104 CYS HB3 . 17607 1 1212 . 1 1 104 104 CYS C C 13 174.2840 0.3 . 1 . . . A 104 CYS C . 17607 1 1213 . 1 1 104 104 CYS CA C 13 57.1060 0.3 . 1 . . . A 104 CYS CA . 17607 1 1214 . 1 1 104 104 CYS CB C 13 29.8030 0.3 . 1 . . . A 104 CYS CB . 17607 1 1215 . 1 1 104 104 CYS N N 15 118.9600 0.3 . 1 . . . A 104 CYS N . 17607 1 1216 . 1 1 105 105 LEU H H 1 8.9680 0.02 . 1 . . . A 105 LEU H . 17607 1 1217 . 1 1 105 105 LEU HA H 1 4.4040 0.02 . 1 . . . A 105 LEU HA . 17607 1 1218 . 1 1 105 105 LEU HB3 H 1 1.6200 0.02 . 2 . . . A 105 LEU HB3 . 17607 1 1219 . 1 1 105 105 LEU HG H 1 1.6230 0.02 . 1 . . . A 105 LEU HG . 17607 1 1220 . 1 1 105 105 LEU HD11 H 1 0.8220 0.02 . 2 . . . A 105 LEU HD11 . 17607 1 1221 . 1 1 105 105 LEU HD12 H 1 0.8220 0.02 . 2 . . . A 105 LEU HD12 . 17607 1 1222 . 1 1 105 105 LEU HD13 H 1 0.8220 0.02 . 2 . . . A 105 LEU HD13 . 17607 1 1223 . 1 1 105 105 LEU HD21 H 1 0.9200 0.02 . 2 . . . A 105 LEU HD21 . 17607 1 1224 . 1 1 105 105 LEU HD22 H 1 0.9200 0.02 . 2 . . . A 105 LEU HD22 . 17607 1 1225 . 1 1 105 105 LEU HD23 H 1 0.9200 0.02 . 2 . . . A 105 LEU HD23 . 17607 1 1226 . 1 1 105 105 LEU CA C 13 55.0000 0.3 . 1 . . . A 105 LEU CA . 17607 1 1227 . 1 1 105 105 LEU CB C 13 41.9000 0.3 . 1 . . . A 105 LEU CB . 17607 1 1228 . 1 1 105 105 LEU CG C 13 27.0760 0.3 . 1 . . . A 105 LEU CG . 17607 1 1229 . 1 1 105 105 LEU CD1 C 13 23.4660 0.3 . 2 . . . A 105 LEU CD1 . 17607 1 1230 . 1 1 105 105 LEU CD2 C 13 24.9700 0.3 . 2 . . . A 105 LEU CD2 . 17607 1 1231 . 1 1 105 105 LEU N N 15 125.7150 0.3 . 1 . . . A 105 LEU N . 17607 1 1232 . 1 1 106 106 LYS HA H 1 4.3010 0.02 . 1 . . . A 106 LYS HA . 17607 1 1233 . 1 1 106 106 LYS HB2 H 1 1.8990 0.02 . 2 . . . A 106 LYS HB2 . 17607 1 1234 . 1 1 106 106 LYS C C 13 177.3390 0.3 . 1 . . . A 106 LYS C . 17607 1 1235 . 1 1 106 106 LYS CA C 13 57.7120 0.3 . 1 . . . A 106 LYS CA . 17607 1 1236 . 1 1 106 106 LYS CB C 13 32.4410 0.3 . 1 . . . A 106 LYS CB . 17607 1 1237 . 1 1 107 107 GLY H H 1 8.6430 0.02 . 1 . . . A 107 GLY H . 17607 1 1238 . 1 1 107 107 GLY C C 13 174.1400 0.3 . 1 . . . A 107 GLY C . 17607 1 1239 . 1 1 107 107 GLY CA C 13 45.1570 0.3 . 1 . . . A 107 GLY CA . 17607 1 1240 . 1 1 107 107 GLY N N 15 111.9570 0.3 . 1 . . . A 107 GLY N . 17607 1 1241 . 1 1 108 108 GLU H H 1 8.1580 0.02 . 1 . . . A 108 GLU H . 17607 1 1242 . 1 1 108 108 GLU HA H 1 4.3180 0.02 . 1 . . . A 108 GLU HA . 17607 1 1243 . 1 1 108 108 GLU HB2 H 1 1.6220 0.02 . 2 . . . A 108 GLU HB2 . 17607 1 1244 . 1 1 108 108 GLU HB3 H 1 1.9880 0.02 . 2 . . . A 108 GLU HB3 . 17607 1 1245 . 1 1 108 108 GLU C C 13 176.3540 0.3 . 1 . . . A 108 GLU C . 17607 1 1246 . 1 1 108 108 GLU CA C 13 56.1010 0.3 . 1 . . . A 108 GLU CA . 17607 1 1247 . 1 1 108 108 GLU CB C 13 30.5790 0.3 . 1 . . . A 108 GLU CB . 17607 1 1248 . 1 1 108 108 GLU N N 15 120.0900 0.3 . 1 . . . A 108 GLU N . 17607 1 1249 . 1 1 109 109 ARG H H 1 8.5100 0.02 . 1 . . . A 109 ARG H . 17607 1 1250 . 1 1 109 109 ARG C C 13 175.7310 0.3 . 1 . . . A 109 ARG C . 17607 1 1251 . 1 1 109 109 ARG CA C 13 55.9160 0.3 . 1 . . . A 109 ARG CA . 17607 1 1252 . 1 1 109 109 ARG CB C 13 30.6350 0.3 . 1 . . . A 109 ARG CB . 17607 1 1253 . 1 1 109 109 ARG N N 15 122.0030 0.3 . 1 . . . A 109 ARG N . 17607 1 1254 . 1 1 111 111 PHE HA H 1 4.5710 0.02 . 1 . . . A 111 PHE HA . 17607 1 1255 . 1 1 111 111 PHE HB2 H 1 2.9570 0.02 . 2 . . . A 111 PHE HB2 . 17607 1 1256 . 1 1 111 111 PHE HB3 H 1 3.1000 0.02 . 2 . . . A 111 PHE HB3 . 17607 1 1257 . 1 1 111 111 PHE HD1 H 1 7.1970 0.02 . 1 . . . A 111 PHE HD1 . 17607 1 1258 . 1 1 111 111 PHE HD2 H 1 7.1970 0.02 . 1 . . . A 111 PHE HD2 . 17607 1 1259 . 1 1 111 111 PHE C C 13 175.2760 0.3 . 1 . . . A 111 PHE C . 17607 1 1260 . 1 1 111 111 PHE CA C 13 57.5930 0.3 . 1 . . . A 111 PHE CA . 17607 1 1261 . 1 1 111 111 PHE CB C 13 39.7440 0.3 . 1 . . . A 111 PHE CB . 17607 1 1262 . 1 1 111 111 PHE CD1 C 13 131.4980 0.3 . 1 . . . A 111 PHE CD1 . 17607 1 1263 . 1 1 111 111 PHE CD2 C 13 131.4980 0.3 . 1 . . . A 111 PHE CD2 . 17607 1 1264 . 1 1 112 112 ALA H H 1 8.3910 0.02 . 1 . . . A 112 ALA H . 17607 1 1265 . 1 1 112 112 ALA HA H 1 4.3030 0.02 . 1 . . . A 112 ALA HA . 17607 1 1266 . 1 1 112 112 ALA HB1 H 1 1.3860 0.02 . 1 . . . A 112 ALA HB1 . 17607 1 1267 . 1 1 112 112 ALA HB2 H 1 1.3860 0.02 . 1 . . . A 112 ALA HB2 . 17607 1 1268 . 1 1 112 112 ALA HB3 H 1 1.3860 0.02 . 1 . . . A 112 ALA HB3 . 17607 1 1269 . 1 1 112 112 ALA C C 13 177.5750 0.3 . 1 . . . A 112 ALA C . 17607 1 1270 . 1 1 112 112 ALA CA C 13 52.3920 0.3 . 1 . . . A 112 ALA CA . 17607 1 1271 . 1 1 112 112 ALA CB C 13 19.5200 0.3 . 1 . . . A 112 ALA CB . 17607 1 1272 . 1 1 112 112 ALA N N 15 125.9960 0.3 . 1 . . . A 112 ALA N . 17607 1 1273 . 1 1 113 113 GLU H H 1 8.4680 0.02 . 1 . . . A 113 GLU H . 17607 1 1274 . 1 1 113 113 GLU HA H 1 4.2660 0.02 . 1 . . . A 113 GLU HA . 17607 1 1275 . 1 1 113 113 GLU HB2 H 1 1.8440 0.02 . 2 . . . A 113 GLU HB2 . 17607 1 1276 . 1 1 113 113 GLU HB3 H 1 2.0990 0.02 . 2 . . . A 113 GLU HB3 . 17607 1 1277 . 1 1 113 113 GLU C C 13 176.6860 0.3 . 1 . . . A 113 GLU C . 17607 1 1278 . 1 1 113 113 GLU CA C 13 56.8570 0.3 . 1 . . . A 113 GLU CA . 17607 1 1279 . 1 1 113 113 GLU CB C 13 30.1300 0.3 . 1 . . . A 113 GLU CB . 17607 1 1280 . 1 1 113 113 GLU N N 15 120.3990 0.3 . 1 . . . A 113 GLU N . 17607 1 1281 . 1 1 114 114 SER HA H 1 4.3530 0.02 . 1 . . . A 114 SER HA . 17607 1 1282 . 1 1 114 114 SER HB3 H 1 3.8790 0.02 . 2 . . . A 114 SER HB3 . 17607 1 1283 . 1 1 114 114 SER C C 13 174.5250 0.3 . 1 . . . A 114 SER C . 17607 1 1284 . 1 1 114 114 SER CA C 13 58.4920 0.3 . 1 . . . A 114 SER CA . 17607 1 1285 . 1 1 114 114 SER CB C 13 63.9420 0.3 . 1 . . . A 114 SER CB . 17607 1 1286 . 1 1 115 115 GLU H H 1 8.5010 0.02 . 1 . . . A 115 GLU H . 17607 1 1287 . 1 1 115 115 GLU HA H 1 4.3730 0.02 . 1 . . . A 115 GLU HA . 17607 1 1288 . 1 1 115 115 GLU HB2 H 1 2.0850 0.02 . 2 . . . A 115 GLU HB2 . 17607 1 1289 . 1 1 115 115 GLU HB3 H 1 1.9630 0.02 . 2 . . . A 115 GLU HB3 . 17607 1 1290 . 1 1 115 115 GLU C C 13 176.5330 0.3 . 1 . . . A 115 GLU C . 17607 1 1291 . 1 1 115 115 GLU CA C 13 56.7200 0.3 . 1 . . . A 115 GLU CA . 17607 1 1292 . 1 1 115 115 GLU CB C 13 30.4890 0.3 . 1 . . . A 115 GLU CB . 17607 1 1293 . 1 1 115 115 GLU N N 15 122.8960 0.3 . 1 . . . A 115 GLU N . 17607 1 1294 . 1 1 116 116 THR H H 1 8.3040 0.02 . 1 . . . A 116 THR H . 17607 1 1295 . 1 1 116 116 THR HA H 1 4.3450 0.02 . 1 . . . A 116 THR HA . 17607 1 1296 . 1 1 116 116 THR HB H 1 4.1950 0.02 . 1 . . . A 116 THR HB . 17607 1 1297 . 1 1 116 116 THR HG21 H 1 1.1950 0.02 . 1 . . . A 116 THR HG21 . 17607 1 1298 . 1 1 116 116 THR HG22 H 1 1.1950 0.02 . 1 . . . A 116 THR HG22 . 17607 1 1299 . 1 1 116 116 THR HG23 H 1 1.1950 0.02 . 1 . . . A 116 THR HG23 . 17607 1 1300 . 1 1 116 116 THR C C 13 174.3030 0.3 . 1 . . . A 116 THR C . 17607 1 1301 . 1 1 116 116 THR CA C 13 61.9080 0.3 . 1 . . . A 116 THR CA . 17607 1 1302 . 1 1 116 116 THR CB C 13 69.7823 0.3 . 1 . . . A 116 THR CB . 17607 1 1303 . 1 1 116 116 THR CG2 C 13 21.5380 0.3 . 1 . . . A 116 THR CG2 . 17607 1 1304 . 1 1 116 116 THR N N 15 115.8740 0.3 . 1 . . . A 116 THR N . 17607 1 1305 . 1 1 117 117 LEU H H 1 8.4530 0.02 . 1 . . . A 117 LEU H . 17607 1 1306 . 1 1 117 117 LEU HA H 1 4.3600 0.02 . 1 . . . A 117 LEU HA . 17607 1 1307 . 1 1 117 117 LEU HB3 H 1 1.6280 0.02 . 2 . . . A 117 LEU HB3 . 17607 1 1308 . 1 1 117 117 LEU HG H 1 1.6210 0.02 . 1 . . . A 117 LEU HG . 17607 1 1309 . 1 1 117 117 LEU HD11 H 1 0.9210 0.02 . 2 . . . A 117 LEU HD11 . 17607 1 1310 . 1 1 117 117 LEU HD12 H 1 0.9210 0.02 . 2 . . . A 117 LEU HD12 . 17607 1 1311 . 1 1 117 117 LEU HD13 H 1 0.9210 0.02 . 2 . . . A 117 LEU HD13 . 17607 1 1312 . 1 1 117 117 LEU HD21 H 1 0.8220 0.02 . 2 . . . A 117 LEU HD21 . 17607 1 1313 . 1 1 117 117 LEU HD22 H 1 0.8220 0.02 . 2 . . . A 117 LEU HD22 . 17607 1 1314 . 1 1 117 117 LEU HD23 H 1 0.8220 0.02 . 2 . . . A 117 LEU HD23 . 17607 1 1315 . 1 1 117 117 LEU C C 13 176.2450 0.3 . 1 . . . A 117 LEU C . 17607 1 1316 . 1 1 117 117 LEU CA C 13 54.9570 0.3 . 1 . . . A 117 LEU CA . 17607 1 1317 . 1 1 117 117 LEU CB C 13 42.4480 0.3 . 1 . . . A 117 LEU CB . 17607 1 1318 . 1 1 117 117 LEU CG C 13 26.9980 0.3 . 1 . . . A 117 LEU CG . 17607 1 1319 . 1 1 117 117 LEU CD1 C 13 24.9690 0.3 . 2 . . . A 117 LEU CD1 . 17607 1 1320 . 1 1 117 117 LEU CD2 C 13 23.3300 0.3 . 2 . . . A 117 LEU CD2 . 17607 1 1321 . 1 1 117 117 LEU N N 15 125.7120 0.3 . 1 . . . A 117 LEU N . 17607 1 1322 . 1 1 118 118 ASP H H 1 8.3023 0.02 . 1 . . . A 118 ASP H . 17607 1 1323 . 1 1 118 118 ASP N N 15 115.9097 0.3 . 1 . . . A 118 ASP N . 17607 1 stop_ save_