data_6611 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6611 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for the receiver domain (residues 1-121) of NtrC4 from Aquifex aeolicus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-26 _Entry.Accession_date 2005-04-27 _Entry.Last_release_date 2005-05-26 _Entry.Original_release_date 2005-05-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Koshi Matsubara . . . 6611 2 Jeffrey Pelton . G. . 6611 3 David Wemmer . E. . 6611 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . LBNL . 6611 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6611 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 6611 '15N chemical shifts' 109 6611 '1H chemical shifts' 746 6611 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 . . 2005-05-26 2005-04-26 original author . 6611 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6611 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N chemical shift assignments of the receiver domain of NtrC4 from Aquifex aeolicus ; _Citation.Status submitted _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Koshi Matsubara . . . 6611 1 2 Jeffrey Pelton . G. . 6611 1 3 David Wemmer . E. . 6611 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6611 1 NtrC 6611 1 'receiver domain' 6611 1 'signal transduction' 6611 1 'two component' 6611 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6611 _Assembly.ID 1 _Assembly.Name 'receiver domain of NtrC4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 13626 _Assembly.Enzyme_commission_number . _Assembly.Details 'Residues 1 - 121 of the receiver domain of NtrC4 from Aquifex aeolicus' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6611 1 stop_ 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 Ntrc4r 1 $NtrC4r . . yes native no no . . . 6611 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Two-component signal transduction' 6611 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NtrC4r _Entity.Sf_category entity _Entity.Sf_framecode NtrC4r _Entity.Entry_ID 6611 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'receiver domain of NtrC4' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKRVLVVDDEESITSSLSAI LEEEGYHPDTAKTLREAEKK IKELFFPVIVLDVWMPDGDG VNFIDFIKENSPDSVVIVIT GHGSVDTAVKAIKKGAYEFL EKPFSVERFLLTIKHAFEEY S ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13627 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15334 . "NtrC4 Receiver domain dimer" . . . . . 100.00 121 100.00 100.00 1.17e-79 . . . . 6611 1 2 no PDB 1ZIT . "Structure Of The Receiver Domain Of Ntrc4 From Aquifex Aeolicus" . . . . . 100.00 121 100.00 100.00 1.17e-79 . . . . 6611 1 3 no PDB 2JRL . "Solution Structure Of The Beryllofluoride-Activated Ntrc4 Receiver Domain Dimer" . . . . . 100.00 121 100.00 100.00 1.17e-79 . . . . 6611 1 4 no PDB 3DZD . "Crystal Structure Of Sigma54 Activator Ntrc4 In The Inactive State" . . . . . 99.17 368 99.17 99.17 4.32e-75 . . . . 6611 1 5 no GB AAC06509 . "transcriptional regulator (NtrC family) [Aquifex aeolicus VF5]" . . . . . 100.00 442 100.00 100.00 1.92e-76 . . . . 6611 1 6 no REF NP_213111 . "NtrC family transcriptional regulator [Aquifex aeolicus VF5]" . . . . . 100.00 442 100.00 100.00 1.92e-76 . . . . 6611 1 7 no REF WP_010880049 . "Fis family transcriptional regulator [Aquifex aeolicus]" . . . . . 100.00 442 100.00 100.00 1.92e-76 . . . . 6611 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID NtrC4r . 6611 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6611 1 2 . LYS . 6611 1 3 . ARG . 6611 1 4 . VAL . 6611 1 5 . LEU . 6611 1 6 . VAL . 6611 1 7 . VAL . 6611 1 8 . ASP . 6611 1 9 . ASP . 6611 1 10 . GLU . 6611 1 11 . GLU . 6611 1 12 . SER . 6611 1 13 . ILE . 6611 1 14 . THR . 6611 1 15 . SER . 6611 1 16 . SER . 6611 1 17 . LEU . 6611 1 18 . SER . 6611 1 19 . ALA . 6611 1 20 . ILE . 6611 1 21 . LEU . 6611 1 22 . GLU . 6611 1 23 . GLU . 6611 1 24 . GLU . 6611 1 25 . GLY . 6611 1 26 . TYR . 6611 1 27 . HIS . 6611 1 28 . PRO . 6611 1 29 . ASP . 6611 1 30 . THR . 6611 1 31 . ALA . 6611 1 32 . LYS . 6611 1 33 . THR . 6611 1 34 . LEU . 6611 1 35 . ARG . 6611 1 36 . GLU . 6611 1 37 . ALA . 6611 1 38 . GLU . 6611 1 39 . LYS . 6611 1 40 . LYS . 6611 1 41 . ILE . 6611 1 42 . LYS . 6611 1 43 . GLU . 6611 1 44 . LEU . 6611 1 45 . PHE . 6611 1 46 . PHE . 6611 1 47 . PRO . 6611 1 48 . VAL . 6611 1 49 . ILE . 6611 1 50 . VAL . 6611 1 51 . LEU . 6611 1 52 . ASP . 6611 1 53 . VAL . 6611 1 54 . TRP . 6611 1 55 . MET . 6611 1 56 . PRO . 6611 1 57 . ASP . 6611 1 58 . GLY . 6611 1 59 . ASP . 6611 1 60 . GLY . 6611 1 61 . VAL . 6611 1 62 . ASN . 6611 1 63 . PHE . 6611 1 64 . ILE . 6611 1 65 . ASP . 6611 1 66 . PHE . 6611 1 67 . ILE . 6611 1 68 . LYS . 6611 1 69 . GLU . 6611 1 70 . ASN . 6611 1 71 . SER . 6611 1 72 . PRO . 6611 1 73 . ASP . 6611 1 74 . SER . 6611 1 75 . VAL . 6611 1 76 . VAL . 6611 1 77 . ILE . 6611 1 78 . VAL . 6611 1 79 . ILE . 6611 1 80 . THR . 6611 1 81 . GLY . 6611 1 82 . HIS . 6611 1 83 . GLY . 6611 1 84 . SER . 6611 1 85 . VAL . 6611 1 86 . ASP . 6611 1 87 . THR . 6611 1 88 . ALA . 6611 1 89 . VAL . 6611 1 90 . LYS . 6611 1 91 . ALA . 6611 1 92 . ILE . 6611 1 93 . LYS . 6611 1 94 . LYS . 6611 1 95 . GLY . 6611 1 96 . ALA . 6611 1 97 . TYR . 6611 1 98 . GLU . 6611 1 99 . PHE . 6611 1 100 . LEU . 6611 1 101 . GLU . 6611 1 102 . LYS . 6611 1 103 . PRO . 6611 1 104 . PHE . 6611 1 105 . SER . 6611 1 106 . VAL . 6611 1 107 . GLU . 6611 1 108 . ARG . 6611 1 109 . PHE . 6611 1 110 . LEU . 6611 1 111 . LEU . 6611 1 112 . THR . 6611 1 113 . ILE . 6611 1 114 . LYS . 6611 1 115 . HIS . 6611 1 116 . ALA . 6611 1 117 . PHE . 6611 1 118 . GLU . 6611 1 119 . GLU . 6611 1 120 . TYR . 6611 1 121 . SER . 6611 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6611 1 . LYS 2 2 6611 1 . ARG 3 3 6611 1 . VAL 4 4 6611 1 . LEU 5 5 6611 1 . VAL 6 6 6611 1 . VAL 7 7 6611 1 . ASP 8 8 6611 1 . ASP 9 9 6611 1 . GLU 10 10 6611 1 . GLU 11 11 6611 1 . SER 12 12 6611 1 . ILE 13 13 6611 1 . THR 14 14 6611 1 . SER 15 15 6611 1 . SER 16 16 6611 1 . LEU 17 17 6611 1 . SER 18 18 6611 1 . ALA 19 19 6611 1 . ILE 20 20 6611 1 . LEU 21 21 6611 1 . GLU 22 22 6611 1 . GLU 23 23 6611 1 . GLU 24 24 6611 1 . GLY 25 25 6611 1 . TYR 26 26 6611 1 . HIS 27 27 6611 1 . PRO 28 28 6611 1 . ASP 29 29 6611 1 . THR 30 30 6611 1 . ALA 31 31 6611 1 . LYS 32 32 6611 1 . THR 33 33 6611 1 . LEU 34 34 6611 1 . ARG 35 35 6611 1 . GLU 36 36 6611 1 . ALA 37 37 6611 1 . GLU 38 38 6611 1 . LYS 39 39 6611 1 . LYS 40 40 6611 1 . ILE 41 41 6611 1 . LYS 42 42 6611 1 . GLU 43 43 6611 1 . LEU 44 44 6611 1 . PHE 45 45 6611 1 . PHE 46 46 6611 1 . PRO 47 47 6611 1 . VAL 48 48 6611 1 . ILE 49 49 6611 1 . VAL 50 50 6611 1 . LEU 51 51 6611 1 . ASP 52 52 6611 1 . VAL 53 53 6611 1 . TRP 54 54 6611 1 . MET 55 55 6611 1 . PRO 56 56 6611 1 . ASP 57 57 6611 1 . GLY 58 58 6611 1 . ASP 59 59 6611 1 . GLY 60 60 6611 1 . VAL 61 61 6611 1 . ASN 62 62 6611 1 . PHE 63 63 6611 1 . ILE 64 64 6611 1 . ASP 65 65 6611 1 . PHE 66 66 6611 1 . ILE 67 67 6611 1 . LYS 68 68 6611 1 . GLU 69 69 6611 1 . ASN 70 70 6611 1 . SER 71 71 6611 1 . PRO 72 72 6611 1 . ASP 73 73 6611 1 . SER 74 74 6611 1 . VAL 75 75 6611 1 . VAL 76 76 6611 1 . ILE 77 77 6611 1 . VAL 78 78 6611 1 . ILE 79 79 6611 1 . THR 80 80 6611 1 . GLY 81 81 6611 1 . HIS 82 82 6611 1 . GLY 83 83 6611 1 . SER 84 84 6611 1 . VAL 85 85 6611 1 . ASP 86 86 6611 1 . THR 87 87 6611 1 . ALA 88 88 6611 1 . VAL 89 89 6611 1 . LYS 90 90 6611 1 . ALA 91 91 6611 1 . ILE 92 92 6611 1 . LYS 93 93 6611 1 . LYS 94 94 6611 1 . GLY 95 95 6611 1 . ALA 96 96 6611 1 . TYR 97 97 6611 1 . GLU 98 98 6611 1 . PHE 99 99 6611 1 . LEU 100 100 6611 1 . GLU 101 101 6611 1 . LYS 102 102 6611 1 . PRO 103 103 6611 1 . PHE 104 104 6611 1 . SER 105 105 6611 1 . VAL 106 106 6611 1 . GLU 107 107 6611 1 . ARG 108 108 6611 1 . PHE 109 109 6611 1 . LEU 110 110 6611 1 . LEU 111 111 6611 1 . THR 112 112 6611 1 . ILE 113 113 6611 1 . LYS 114 114 6611 1 . HIS 115 115 6611 1 . ALA 116 116 6611 1 . PHE 117 117 6611 1 . GLU 118 118 6611 1 . GLU 119 119 6611 1 . TYR 120 120 6611 1 . SER 121 121 6611 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 6611 _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 $NtrC4r . 224324 organism . 'Aquifex aeolicus' 'Aquifex aeolicus' . . Eubacteria 'Not applicable' Aquifex aeolicus . . . . . . . . . . . . . . . . . . . . . 6611 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $NtrC4r . TREMBL . O66551_AQUAE original AQ_164 . . 6611 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 6611 _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 $NtrC4r . 'recombinant technology' . 'E. coli' BL21(DE3) . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . . . . . . . . 6611 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6611 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _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 'receiver domain of NtrC4' '[U-95% 13C; U-98% 15N]' 1 $assembly 1 $NtrC4r . protein 1 . . mM 0.2 . . . 6611 1 2 'potassium phosphate' . . . . . . buffer 10 . . mM 2 . . . 6611 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6611 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 0.2 pH 6611 1 pressure 1 0.01 atm 6611 1 temperature 323 1 K 6611 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6611 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delaglio . delaglio@nih.gov 6611 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6611 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6611 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruce Johnson' 'One Moon Scientific' . 6611 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 6611 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6611 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6611 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6611 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6611 _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 1H15N_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6611 1 2 '3D 15N-filtered NOESY-HSQC' no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6611 1 3 '3D 13C-filtered NOESY-HSQC' no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6611 1 4 HNCA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6611 1 5 HNHA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6611 1 6 H(CCO)NH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6611 1 7 C(CCO)NH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6611 1 8 HCCH-TOCSY no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6611 1 9 HBHA(CO)NH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6611 1 10 HNCACB no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6611 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6611 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6611 _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 0.0 . indirect 0.251449530 . . . . . . . . . 6611 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6611 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6611 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6611 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.20 _Assigned_chem_shift_list.Chem_shift_15N_err 0.10 _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 HNCA 1 $sample_1 isotropic 6611 1 2 HNHA 1 $sample_1 isotropic 6611 1 3 H(CCO)NH 1 $sample_1 isotropic 6611 1 4 C(CCO)NH 1 $sample_1 isotropic 6611 1 5 HCCH-TOCSY 1 $sample_1 isotropic 6611 1 6 HBHA(CO)NH 1 $sample_1 isotropic 6611 1 7 HNCACB 1 $sample_1 isotropic 6611 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS HA H 1 4.35 0.02 . 1 . . . . 2 LYS HA . 6611 1 2 . 1 1 2 2 LYS HB2 H 1 1.15 0.02 . 2 . . . . 2 LYS HB2 . 6611 1 3 . 1 1 2 2 LYS HB3 H 1 1.54 0.02 . 2 . . . . 2 LYS HB3 . 6611 1 4 . 1 1 2 2 LYS HG2 H 1 1.22 0.02 . 2 . . . . 2 LYS HG2 . 6611 1 5 . 1 1 2 2 LYS HD2 H 1 0.97 0.02 . 2 . . . . 2 LYS HD2 . 6611 1 6 . 1 1 2 2 LYS HE2 H 1 2.50 0.02 . 2 . . . . 2 LYS HE2 . 6611 1 7 . 1 1 2 2 LYS CA C 13 56.2 0.2 . 1 . . . . 2 LYS CA . 6611 1 8 . 1 1 2 2 LYS CB C 13 33.1 0.2 . 1 . . . . 2 LYS CB . 6611 1 9 . 1 1 2 2 LYS CG C 13 25.1 0.2 . 1 . . . . 2 LYS CG . 6611 1 10 . 1 1 2 2 LYS CD C 13 29.6 0.2 . 1 . . . . 2 LYS CD . 6611 1 11 . 1 1 2 2 LYS CE C 13 42.2 0.2 . 1 . . . . 2 LYS CE . 6611 1 12 . 1 1 3 3 ARG H H 1 8.03 0.02 . 1 . . . . 3 ARG H . 6611 1 13 . 1 1 3 3 ARG HA H 1 5.12 0.02 . 1 . . . . 3 ARG HA . 6611 1 14 . 1 1 3 3 ARG HB2 H 1 1.92 0.02 . 2 . . . . 3 ARG HB2 . 6611 1 15 . 1 1 3 3 ARG HB3 H 1 1.72 0.02 . 2 . . . . 3 ARG HB3 . 6611 1 16 . 1 1 3 3 ARG HG2 H 1 1.60 0.02 . 2 . . . . 3 ARG HG2 . 6611 1 17 . 1 1 3 3 ARG HD2 H 1 2.74 0.02 . 2 . . . . 3 ARG HD2 . 6611 1 18 . 1 1 3 3 ARG CA C 13 56.9 0.20 . 1 . . . . 3 ARG CA . 6611 1 19 . 1 1 3 3 ARG CB C 13 33.1 0.20 . 1 . . . . 3 ARG CB . 6611 1 20 . 1 1 3 3 ARG CG C 13 29.0 0.20 . 1 . . . . 3 ARG CG . 6611 1 21 . 1 1 3 3 ARG CD C 13 43.4 0.20 . 1 . . . . 3 ARG CD . 6611 1 22 . 1 1 3 3 ARG N N 15 123.5 0.10 . 1 . . . . 3 ARG N . 6611 1 23 . 1 1 4 4 VAL H H 1 7.40 0.02 . 1 . . . . 4 VAL H . 6611 1 24 . 1 1 4 4 VAL HA H 1 4.92 0.02 . 1 . . . . 4 VAL HA . 6611 1 25 . 1 1 4 4 VAL HB H 1 1.59 0.02 . 1 . . . . 4 VAL HB . 6611 1 26 . 1 1 4 4 VAL HG11 H 1 0.60 0.02 . 1 . . . . 4 VAL HG1 . 6611 1 27 . 1 1 4 4 VAL HG12 H 1 0.60 0.02 . 1 . . . . 4 VAL HG1 . 6611 1 28 . 1 1 4 4 VAL HG13 H 1 0.60 0.02 . 1 . . . . 4 VAL HG1 . 6611 1 29 . 1 1 4 4 VAL HG21 H 1 0.79 0.02 . 1 . . . . 4 VAL HG2 . 6611 1 30 . 1 1 4 4 VAL HG22 H 1 0.79 0.02 . 1 . . . . 4 VAL HG2 . 6611 1 31 . 1 1 4 4 VAL HG23 H 1 0.79 0.02 . 1 . . . . 4 VAL HG2 . 6611 1 32 . 1 1 4 4 VAL CA C 13 60.20 0.20 . 1 . . . . 4 VAL CA . 6611 1 33 . 1 1 4 4 VAL CB C 13 37.2 0.20 . 1 . . . . 4 VAL CB . 6611 1 34 . 1 1 4 4 VAL CG1 C 13 21.7 0.20 . 1 . . . . 4 VAL CG1 . 6611 1 35 . 1 1 4 4 VAL CG2 C 13 22.3 0.20 . 1 . . . . 4 VAL CG2 . 6611 1 36 . 1 1 4 4 VAL N N 15 118.4 0.10 . 1 . . . . 4 VAL N . 6611 1 37 . 1 1 5 5 LEU H H 1 7.77 0.02 . 1 . . . . 5 LEU H . 6611 1 38 . 1 1 5 5 LEU HA H 1 4.46 0.02 . 1 . . . . 5 LEU HA . 6611 1 39 . 1 1 5 5 LEU HB2 H 1 -0.54 0.02 . 2 . . . . 5 LEU HB2 . 6611 1 40 . 1 1 5 5 LEU HB3 H 1 1.09 0.02 . 2 . . . . 5 LEU HB3 . 6611 1 41 . 1 1 5 5 LEU HG H 1 0.93 0.02 . 1 . . . . 5 LEU HG . 6611 1 42 . 1 1 5 5 LEU HD11 H 1 0.09 0.02 . 1 . . . . 5 LEU HD1 . 6611 1 43 . 1 1 5 5 LEU HD12 H 1 0.09 0.02 . 1 . . . . 5 LEU HD1 . 6611 1 44 . 1 1 5 5 LEU HD13 H 1 0.09 0.02 . 1 . . . . 5 LEU HD1 . 6611 1 45 . 1 1 5 5 LEU HD21 H 1 0.28 0.02 . 1 . . . . 5 LEU HD2 . 6611 1 46 . 1 1 5 5 LEU HD22 H 1 0.28 0.02 . 1 . . . . 5 LEU HD2 . 6611 1 47 . 1 1 5 5 LEU HD23 H 1 0.28 0.02 . 1 . . . . 5 LEU HD2 . 6611 1 48 . 1 1 5 5 LEU CA C 13 52.9 0.20 . 1 . . . . 5 LEU CA . 6611 1 49 . 1 1 5 5 LEU CB C 13 42.40 0.20 . 1 . . . . 5 LEU CB . 6611 1 50 . 1 1 5 5 LEU CG C 13 27.0 0.20 . 1 . . . . 5 LEU CG . 6611 1 51 . 1 1 5 5 LEU CD1 C 13 22.4 0.20 . 1 . . . . 5 LEU CD1 . 6611 1 52 . 1 1 5 5 LEU CD2 C 13 27.0 0.20 . 1 . . . . 5 LEU CD2 . 6611 1 53 . 1 1 5 5 LEU N N 15 128.1 0.10 . 1 . . . . 5 LEU N . 6611 1 54 . 1 1 6 6 VAL H H 1 8.76 0.02 . 1 . . . . 6 VAL H . 6611 1 55 . 1 1 6 6 VAL HA H 1 4.42 0.02 . 1 . . . . 6 VAL HA . 6611 1 56 . 1 1 6 6 VAL HB H 1 1.97 0.02 . 1 . . . . 6 VAL HB . 6611 1 57 . 1 1 6 6 VAL HG11 H 1 0.67 0.02 . 1 . . . . 6 VAL HG1 . 6611 1 58 . 1 1 6 6 VAL HG12 H 1 0.67 0.02 . 1 . . . . 6 VAL HG1 . 6611 1 59 . 1 1 6 6 VAL HG13 H 1 0.67 0.02 . 1 . . . . 6 VAL HG1 . 6611 1 60 . 1 1 6 6 VAL HG21 H 1 0.67 0.02 . 1 . . . . 6 VAL HG2 . 6611 1 61 . 1 1 6 6 VAL HG22 H 1 0.67 0.02 . 1 . . . . 6 VAL HG2 . 6611 1 62 . 1 1 6 6 VAL HG23 H 1 0.67 0.02 . 1 . . . . 6 VAL HG2 . 6611 1 63 . 1 1 6 6 VAL CA C 13 62.0 0.20 . 1 . . . . 6 VAL CA . 6611 1 64 . 1 1 6 6 VAL CB C 13 32.7 0.20 . 1 . . . . 6 VAL CB . 6611 1 65 . 1 1 6 6 VAL CG1 C 13 22.1 0.20 . 1 . . . . 6 VAL CG1 . 6611 1 66 . 1 1 6 6 VAL CG2 C 13 20.50 0.20 . 1 . . . . 6 VAL CG2 . 6611 1 67 . 1 1 6 6 VAL N N 15 127.5 0.10 . 1 . . . . 6 VAL N . 6611 1 68 . 1 1 7 7 VAL H H 1 9.31 0.02 . 1 . . . . 7 VAL H . 6611 1 69 . 1 1 7 7 VAL HA H 1 4.74 0.02 . 1 . . . . 7 VAL HA . 6611 1 70 . 1 1 7 7 VAL HB H 1 2.30 0.02 . 1 . . . . 7 VAL HB . 6611 1 71 . 1 1 7 7 VAL HG11 H 1 0.50 0.02 . 1 . . . . 7 VAL HG1 . 6611 1 72 . 1 1 7 7 VAL HG12 H 1 0.50 0.02 . 1 . . . . 7 VAL HG1 . 6611 1 73 . 1 1 7 7 VAL HG13 H 1 0.50 0.02 . 1 . . . . 7 VAL HG1 . 6611 1 74 . 1 1 7 7 VAL HG21 H 1 0.60 0.02 . 1 . . . . 7 VAL HG2 . 6611 1 75 . 1 1 7 7 VAL HG22 H 1 0.60 0.02 . 1 . . . . 7 VAL HG2 . 6611 1 76 . 1 1 7 7 VAL HG23 H 1 0.60 0.02 . 1 . . . . 7 VAL HG2 . 6611 1 77 . 1 1 7 7 VAL CA C 13 60.80 0.20 . 1 . . . . 7 VAL CA . 6611 1 78 . 1 1 7 7 VAL CB C 13 31.8 0.20 . 1 . . . . 7 VAL CB . 6611 1 79 . 1 1 7 7 VAL CG1 C 13 21.30 0.20 . 1 . . . . 7 VAL CG1 . 6611 1 80 . 1 1 7 7 VAL CG2 C 13 21.90 0.20 . 1 . . . . 7 VAL CG2 . 6611 1 81 . 1 1 7 7 VAL N N 15 130.2 0.10 . 1 . . . . 7 VAL N . 6611 1 82 . 1 1 8 8 ASP H H 1 7.65 0.02 . 1 . . . . 8 ASP H . 6611 1 83 . 1 1 8 8 ASP HA H 1 4.70 0.02 . 1 . . . . 8 ASP HA . 6611 1 84 . 1 1 8 8 ASP HB2 H 1 2.27 0.02 . 2 . . . . 8 ASP HB2 . 6611 1 85 . 1 1 8 8 ASP HB3 H 1 2.51 0.02 . 2 . . . . 8 ASP HB3 . 6611 1 86 . 1 1 8 8 ASP CA C 13 54.7 0.20 . 1 . . . . 8 ASP CA . 6611 1 87 . 1 1 8 8 ASP CB C 13 43.40 0.20 . 1 . . . . 8 ASP CB . 6611 1 88 . 1 1 8 8 ASP N N 15 122.3 0.10 . 1 . . . . 8 ASP N . 6611 1 89 . 1 1 9 9 ASP H H 1 8.95 0.02 . 1 . . . . 9 ASP H . 6611 1 90 . 1 1 9 9 ASP HA H 1 4.61 0.02 . 1 . . . . 9 ASP HA . 6611 1 91 . 1 1 9 9 ASP HB2 H 1 2.62 0.02 . 2 . . . . 9 ASP HB2 . 6611 1 92 . 1 1 9 9 ASP HB3 H 1 2.78 0.02 . 2 . . . . 9 ASP HB3 . 6611 1 93 . 1 1 9 9 ASP CA C 13 55.0 0.2 . 1 . . . . 9 ASP CA . 6611 1 94 . 1 1 9 9 ASP CB C 13 42.7 0.2 . 1 . . . . 9 ASP CB . 6611 1 95 . 1 1 9 9 ASP N N 15 124.15 0.10 . 1 . . . . 9 ASP N . 6611 1 96 . 1 1 10 10 GLU H H 1 8.58 0.02 . 1 . . . . 10 GLU H . 6611 1 97 . 1 1 10 10 GLU HA H 1 4.29 0.02 . 1 . . . . 10 GLU HA . 6611 1 98 . 1 1 10 10 GLU HB2 H 1 1.97 0.02 . 2 . . . . 10 GLU HB2 . 6611 1 99 . 1 1 10 10 GLU HG2 H 1 2.20 0.02 . 2 . . . . 10 GLU HG2 . 6611 1 100 . 1 1 10 10 GLU CA C 13 56.7 0.20 . 1 . . . . 10 GLU CA . 6611 1 101 . 1 1 10 10 GLU CB C 13 30.10 0.20 . 1 . . . . 10 GLU CB . 6611 1 102 . 1 1 10 10 GLU CG C 13 37.2 0.20 . 1 . . . . 10 GLU CG . 6611 1 103 . 1 1 10 10 GLU N N 15 121.5 0.10 . 1 . . . . 10 GLU N . 6611 1 104 . 1 1 11 11 GLU H H 1 8.59 0.02 . 1 . . . . 11 GLU H . 6611 1 105 . 1 1 11 11 GLU N N 15 129.73 0.10 . 1 . . . . 11 GLU N . 6611 1 106 . 1 1 12 12 SER HA H 1 4.08 0.02 . 1 . . . . 12 SER HA . 6611 1 107 . 1 1 12 12 SER HB2 H 1 3.81 0.02 . 2 . . . . 12 SER HB2 . 6611 1 108 . 1 1 12 12 SER CA C 13 61.10 0.20 . 1 . . . . 12 SER CA . 6611 1 109 . 1 1 12 12 SER CB C 13 62.6 0.20 . 1 . . . . 12 SER CB . 6611 1 110 . 1 1 13 13 ILE H H 1 7.28 0.02 . 1 . . . . 13 ILE H . 6611 1 111 . 1 1 13 13 ILE HA H 1 3.89 0.02 . 1 . . . . 13 ILE HA . 6611 1 112 . 1 1 13 13 ILE HB H 1 2.08 0.02 . 1 . . . . 13 ILE HB . 6611 1 113 . 1 1 13 13 ILE HG12 H 1 1.29 0.02 . 2 . . . . 13 ILE HG12 . 6611 1 114 . 1 1 13 13 ILE HG13 H 1 1.21 0.02 . 2 . . . . 13 ILE HG13 . 6611 1 115 . 1 1 13 13 ILE HG21 H 1 0.68 0.02 . 1 . . . . 13 ILE HG2 . 6611 1 116 . 1 1 13 13 ILE HG22 H 1 0.68 0.02 . 1 . . . . 13 ILE HG2 . 6611 1 117 . 1 1 13 13 ILE HG23 H 1 0.68 0.02 . 1 . . . . 13 ILE HG2 . 6611 1 118 . 1 1 13 13 ILE HD11 H 1 0.58 0.02 . 1 . . . . 13 ILE HD1 . 6611 1 119 . 1 1 13 13 ILE HD12 H 1 0.58 0.02 . 1 . . . . 13 ILE HD1 . 6611 1 120 . 1 1 13 13 ILE HD13 H 1 0.58 0.02 . 1 . . . . 13 ILE HD1 . 6611 1 121 . 1 1 13 13 ILE CA C 13 62.2 0.20 . 1 . . . . 13 ILE CA . 6611 1 122 . 1 1 13 13 ILE CB C 13 36.8 0.20 . 1 . . . . 13 ILE CB . 6611 1 123 . 1 1 13 13 ILE CG1 C 13 27.3 0.20 . 1 . . . . 13 ILE CG1 . 6611 1 124 . 1 1 13 13 ILE CG2 C 13 17.1 0.20 . 1 . . . . 13 ILE CG2 . 6611 1 125 . 1 1 13 13 ILE CD1 C 13 10.0 0.20 . 1 . . . . 13 ILE CD1 . 6611 1 126 . 1 1 13 13 ILE N N 15 122.4 0.10 . 1 . . . . 13 ILE N . 6611 1 127 . 1 1 14 14 THR H H 1 8.06 0.02 . 1 . . . . 14 THR H . 6611 1 128 . 1 1 14 14 THR HA H 1 3.64 0.02 . 1 . . . . 14 THR HA . 6611 1 129 . 1 1 14 14 THR HB H 1 4.08 0.02 . 1 . . . . 14 THR HB . 6611 1 130 . 1 1 14 14 THR HG21 H 1 1.13 0.02 . 1 . . . . 14 THR HG2 . 6611 1 131 . 1 1 14 14 THR HG22 H 1 1.13 0.02 . 1 . . . . 14 THR HG2 . 6611 1 132 . 1 1 14 14 THR HG23 H 1 1.13 0.02 . 1 . . . . 14 THR HG2 . 6611 1 133 . 1 1 14 14 THR CA C 13 66.7 0.20 . 1 . . . . 14 THR CA . 6611 1 134 . 1 1 14 14 THR CB C 13 67.8 0.20 . 1 . . . . 14 THR CB . 6611 1 135 . 1 1 14 14 THR CG2 C 13 23.9 0.20 . 1 . . . . 14 THR CG2 . 6611 1 136 . 1 1 14 14 THR N N 15 112.35 0.10 . 1 . . . . 14 THR N . 6611 1 137 . 1 1 15 15 SER H H 1 8.53 0.02 . 1 . . . . 15 SER H . 6611 1 138 . 1 1 15 15 SER HA H 1 4.20 0.02 . 1 . . . . 15 SER HA . 6611 1 139 . 1 1 15 15 SER HB2 H 1 3.88 0.02 . 2 . . . . 15 SER HB2 . 6611 1 140 . 1 1 15 15 SER CA C 13 61.5 0.20 . 1 . . . . 15 SER CA . 6611 1 141 . 1 1 15 15 SER CB C 13 62.8 0.20 . 1 . . . . 15 SER CB . 6611 1 142 . 1 1 15 15 SER N N 15 118.1 0.10 . 1 . . . . 15 SER N . 6611 1 143 . 1 1 16 16 SER H H 1 7.32 0.02 . 1 . . . . 16 SER H . 6611 1 144 . 1 1 16 16 SER HA H 1 4.23 0.02 . 1 . . . . 16 SER HA . 6611 1 145 . 1 1 16 16 SER HB2 H 1 3.85 0.02 . 2 . . . . 16 SER HB2 . 6611 1 146 . 1 1 16 16 SER CA C 13 61.5 0.20 . 1 . . . . 16 SER CA . 6611 1 147 . 1 1 16 16 SER CB C 13 63.2 0.20 . 1 . . . . 16 SER CB . 6611 1 148 . 1 1 16 16 SER N N 15 118.1 0.10 . 1 . . . . 16 SER N . 6611 1 149 . 1 1 17 17 LEU H H 1 8.49 0.02 . 1 . . . . 17 LEU H . 6611 1 150 . 1 1 17 17 LEU HA H 1 4.00 0.02 . 1 . . . . 17 LEU HA . 6611 1 151 . 1 1 17 17 LEU HB2 H 1 1.06 0.02 . 2 . . . . 17 LEU HB2 . 6611 1 152 . 1 1 17 17 LEU HB3 H 1 1.67 0.02 . 2 . . . . 17 LEU HB3 . 6611 1 153 . 1 1 17 17 LEU HG H 1 1.69 0.02 . 1 . . . . 17 LEU HG . 6611 1 154 . 1 1 17 17 LEU HD11 H 1 0.40 0.02 . 1 . . . . 17 LEU HD1 . 6611 1 155 . 1 1 17 17 LEU HD12 H 1 0.40 0.02 . 1 . . . . 17 LEU HD1 . 6611 1 156 . 1 1 17 17 LEU HD13 H 1 0.40 0.02 . 1 . . . . 17 LEU HD1 . 6611 1 157 . 1 1 17 17 LEU HD21 H 1 0.16 0.02 . 1 . . . . 17 LEU HD2 . 6611 1 158 . 1 1 17 17 LEU HD22 H 1 0.16 0.02 . 1 . . . . 17 LEU HD2 . 6611 1 159 . 1 1 17 17 LEU HD23 H 1 0.16 0.02 . 1 . . . . 17 LEU HD2 . 6611 1 160 . 1 1 17 17 LEU CA C 13 58.0 0.20 . 1 . . . . 17 LEU CA . 6611 1 161 . 1 1 17 17 LEU CB C 13 41.10 0.20 . 1 . . . . 17 LEU CB . 6611 1 162 . 1 1 17 17 LEU CG C 13 26.5 0.20 . 1 . . . . 17 LEU CG . 6611 1 163 . 1 1 17 17 LEU CD1 C 13 25.2 0.20 . 1 . . . . 17 LEU CD1 . 6611 1 164 . 1 1 17 17 LEU CD2 C 13 21.7 0.20 . 1 . . . . 17 LEU CD2 . 6611 1 165 . 1 1 17 17 LEU N N 15 120.1 0.10 . 1 . . . . 17 LEU N . 6611 1 166 . 1 1 18 18 SER H H 1 7.92 0.02 . 1 . . . . 18 SER H . 6611 1 167 . 1 1 18 18 SER HA H 1 3.88 0.02 . 1 . . . . 18 SER HA . 6611 1 168 . 1 1 18 18 SER HB2 H 1 3.74 0.02 . 2 . . . . 18 SER HB2 . 6611 1 169 . 1 1 18 18 SER CA C 13 63.5 0.20 . 1 . . . . 18 SER CA . 6611 1 170 . 1 1 18 18 SER CB C 13 62.8 0.20 . 1 . . . . 18 SER CB . 6611 1 171 . 1 1 18 18 SER N N 15 113.6 0.10 . 1 . . . . 18 SER N . 6611 1 172 . 1 1 19 19 ALA H H 1 7.30 0.02 . 1 . . . . 19 ALA H . 6611 1 173 . 1 1 19 19 ALA HA H 1 4.17 0.02 . 1 . . . . 19 ALA HA . 6611 1 174 . 1 1 19 19 ALA HB1 H 1 1.47 0.02 . 1 . . . . 19 ALA HB . 6611 1 175 . 1 1 19 19 ALA HB2 H 1 1.47 0.02 . 1 . . . . 19 ALA HB . 6611 1 176 . 1 1 19 19 ALA HB3 H 1 1.47 0.02 . 1 . . . . 19 ALA HB . 6611 1 177 . 1 1 19 19 ALA CA C 13 55.7 0.20 . 1 . . . . 19 ALA CA . 6611 1 178 . 1 1 19 19 ALA CB C 13 18.4 0.20 . 1 . . . . 19 ALA CB . 6611 1 179 . 1 1 19 19 ALA N N 15 123.3 0.10 . 1 . . . . 19 ALA N . 6611 1 180 . 1 1 20 20 ILE H H 1 7.66 0.02 . 1 . . . . 20 ILE H . 6611 1 181 . 1 1 20 20 ILE HA H 1 3.91 0.02 . 1 . . . . 20 ILE HA . 6611 1 182 . 1 1 20 20 ILE HB H 1 1.89 0.02 . 1 . . . . 20 ILE HB . 6611 1 183 . 1 1 20 20 ILE HG12 H 1 1.29 0.02 . 2 . . . . 20 ILE HG12 . 6611 1 184 . 1 1 20 20 ILE HG13 H 1 1.70 0.02 . 2 . . . . 20 ILE HG13 . 6611 1 185 . 1 1 20 20 ILE HG21 H 1 1.04 0.02 . 1 . . . . 20 ILE HG2 . 6611 1 186 . 1 1 20 20 ILE HG22 H 1 1.04 0.02 . 1 . . . . 20 ILE HG2 . 6611 1 187 . 1 1 20 20 ILE HG23 H 1 1.04 0.02 . 1 . . . . 20 ILE HG2 . 6611 1 188 . 1 1 20 20 ILE HD11 H 1 0.84 0.02 . 1 . . . . 20 ILE HD1 . 6611 1 189 . 1 1 20 20 ILE HD12 H 1 0.84 0.02 . 1 . . . . 20 ILE HD1 . 6611 1 190 . 1 1 20 20 ILE HD13 H 1 0.84 0.02 . 1 . . . . 20 ILE HD1 . 6611 1 191 . 1 1 20 20 ILE CA C 13 64.3 0.20 . 1 . . . . 20 ILE CA . 6611 1 192 . 1 1 20 20 ILE CB C 13 39.1 0.20 . 1 . . . . 20 ILE CB . 6611 1 193 . 1 1 20 20 ILE CG1 C 13 29.0 0.20 . 1 . . . . 20 ILE CG1 . 6611 1 194 . 1 1 20 20 ILE CG2 C 13 18.2 0.20 . 1 . . . . 20 ILE CG2 . 6611 1 195 . 1 1 20 20 ILE CD1 C 13 14.3 0.20 . 1 . . . . 20 ILE CD1 . 6611 1 196 . 1 1 20 20 ILE N N 15 118.3 0.10 . 1 . . . . 20 ILE N . 6611 1 197 . 1 1 21 21 LEU H H 1 8.26 0.02 . 1 . . . . 21 LEU H . 6611 1 198 . 1 1 21 21 LEU HA H 1 4.01 0.02 . 1 . . . . 21 LEU HA . 6611 1 199 . 1 1 21 21 LEU HB2 H 1 1.11 0.02 . 2 . . . . 21 LEU HB2 . 6611 1 200 . 1 1 21 21 LEU HB3 H 1 2.06 0.02 . 2 . . . . 21 LEU HB3 . 6611 1 201 . 1 1 21 21 LEU HG H 1 1.23 0.02 . 1 . . . . 21 LEU HG . 6611 1 202 . 1 1 21 21 LEU HD11 H 1 0.68 0.02 . 1 . . . . 21 LEU HD1 . 6611 1 203 . 1 1 21 21 LEU HD12 H 1 0.68 0.02 . 1 . . . . 21 LEU HD1 . 6611 1 204 . 1 1 21 21 LEU HD13 H 1 0.68 0.02 . 1 . . . . 21 LEU HD1 . 6611 1 205 . 1 1 21 21 LEU HD21 H 1 0.55 0.02 . 1 . . . . 21 LEU HD2 . 6611 1 206 . 1 1 21 21 LEU HD22 H 1 0.55 0.02 . 1 . . . . 21 LEU HD2 . 6611 1 207 . 1 1 21 21 LEU HD23 H 1 0.55 0.02 . 1 . . . . 21 LEU HD2 . 6611 1 208 . 1 1 21 21 LEU CA C 13 58.4 0.20 . 1 . . . . 21 LEU CA . 6611 1 209 . 1 1 21 21 LEU CB C 13 42.0 0.20 . 1 . . . . 21 LEU CB . 6611 1 210 . 1 1 21 21 LEU CG C 13 27.3 0.20 . 1 . . . . 21 LEU CG . 6611 1 211 . 1 1 21 21 LEU CD1 C 13 26.6 0.20 . 1 . . . . 21 LEU CD1 . 6611 1 212 . 1 1 21 21 LEU CD2 C 13 23.7 0.20 . 1 . . . . 21 LEU CD2 . 6611 1 213 . 1 1 21 21 LEU N N 15 119.0 0.10 . 1 . . . . 21 LEU N . 6611 1 214 . 1 1 22 22 GLU H H 1 8.31 0.02 . 1 . . . . 22 GLU H . 6611 1 215 . 1 1 22 22 GLU HA H 1 4.30 0.02 . 1 . . . . 22 GLU HA . 6611 1 216 . 1 1 22 22 GLU HB2 H 1 2.06 0.02 . 2 . . . . 22 GLU HB2 . 6611 1 217 . 1 1 22 22 GLU HG2 H 1 2.18 0.02 . 2 . . . . 22 GLU HG2 . 6611 1 218 . 1 1 22 22 GLU HG3 H 1 2.35 0.02 . 2 . . . . 22 GLU HG3 . 6611 1 219 . 1 1 22 22 GLU CA C 13 59.6 0.20 . 1 . . . . 22 GLU CA . 6611 1 220 . 1 1 22 22 GLU CB C 13 30.0 0.20 . 1 . . . . 22 GLU CB . 6611 1 221 . 1 1 22 22 GLU CG C 13 36.9 0.20 . 1 . . . . 22 GLU CG . 6611 1 222 . 1 1 22 22 GLU N N 15 120.0 0.10 . 1 . . . . 22 GLU N . 6611 1 223 . 1 1 23 23 GLU H H 1 7.89 0.02 . 1 . . . . 23 GLU H . 6611 1 224 . 1 1 23 23 GLU HA H 1 4.00 0.02 . 1 . . . . 23 GLU HA . 6611 1 225 . 1 1 23 23 GLU HB2 H 1 2.18 0.02 . 2 . . . . 23 GLU HB2 . 6611 1 226 . 1 1 23 23 GLU HG2 H 1 2.33 0.02 . 2 . . . . 23 GLU HG2 . 6611 1 227 . 1 1 23 23 GLU HG3 H 1 2.37 0.02 . 2 . . . . 23 GLU HG3 . 6611 1 228 . 1 1 23 23 GLU CA C 13 59.50 0.20 . 1 . . . . 23 GLU CA . 6611 1 229 . 1 1 23 23 GLU CB C 13 29.7 0.20 . 1 . . . . 23 GLU CB . 6611 1 230 . 1 1 23 23 GLU CG C 13 36.5 0.20 . 1 . . . . 23 GLU CG . 6611 1 231 . 1 1 23 23 GLU N N 15 121.37 0.10 . 1 . . . . 23 GLU N . 6611 1 232 . 1 1 24 24 GLU H H 1 7.51 0.02 . 1 . . . . 24 GLU H . 6611 1 233 . 1 1 24 24 GLU HA H 1 4.24 0.02 . 1 . . . . 24 GLU HA . 6611 1 234 . 1 1 24 24 GLU HB2 H 1 1.93 0.02 . 1 . . . . 24 GLU HB2 . 6611 1 235 . 1 1 24 24 GLU HB3 H 1 2.41 0.02 . 1 . . . . 24 GLU HB3 . 6611 1 236 . 1 1 24 24 GLU HG2 H 1 2.44 0.02 . 1 . . . . 24 GLU HG2 . 6611 1 237 . 1 1 24 24 GLU CA C 13 55.9 0.20 . 1 . . . . 24 GLU CA . 6611 1 238 . 1 1 24 24 GLU CB C 13 30.3 0.20 . 1 . . . . 24 GLU CB . 6611 1 239 . 1 1 24 24 GLU CG C 13 36.7 0.20 . 1 . . . . 24 GLU CG . 6611 1 240 . 1 1 24 24 GLU N N 15 116.2 0.10 . 1 . . . . 24 GLU N . 6611 1 241 . 1 1 25 25 GLY H H 1 7.50 0.02 . 1 . . . . 25 GLY H . 6611 1 242 . 1 1 25 25 GLY HA2 H 1 3.56 0.02 . 2 . . . . 25 GLY HA2 . 6611 1 243 . 1 1 25 25 GLY HA3 H 1 3.88 0.02 . 2 . . . . 25 GLY HA3 . 6611 1 244 . 1 1 25 25 GLY CA C 13 45.7 0.20 . 1 . . . . 25 GLY CA . 6611 1 245 . 1 1 25 25 GLY N N 15 105.8 0.10 . 1 . . . . 25 GLY N . 6611 1 246 . 1 1 26 26 TYR H H 1 7.88 0.02 . 1 . . . . 26 TYR H . 6611 1 247 . 1 1 26 26 TYR HA H 1 4.50 0.02 . 1 . . . . 26 TYR HA . 6611 1 248 . 1 1 26 26 TYR HB2 H 1 2.88 0.02 . 2 . . . . 26 TYR HB2 . 6611 1 249 . 1 1 26 26 TYR HB3 H 1 2.46 0.02 . 2 . . . . 26 TYR HB3 . 6611 1 250 . 1 1 26 26 TYR HD1 H 1 6.78 0.02 . 3 . . . . 26 TYR HD1 . 6611 1 251 . 1 1 26 26 TYR HE1 H 1 6.23 0.02 . 3 . . . . 26 TYR HE1 . 6611 1 252 . 1 1 26 26 TYR CA C 13 57.3 0.20 . 1 . . . . 26 TYR CA . 6611 1 253 . 1 1 26 26 TYR CB C 13 39.8 0.20 . 1 . . . . 26 TYR CB . 6611 1 254 . 1 1 26 26 TYR N N 15 118.9 0.10 . 1 . . . . 26 TYR N . 6611 1 255 . 1 1 27 27 HIS H H 1 8.35 0.02 . 1 . . . . 27 HIS H . 6611 1 256 . 1 1 27 27 HIS HA H 1 5.15 0.02 . 1 . . . . 27 HIS HA . 6611 1 257 . 1 1 27 27 HIS HB2 H 1 3.08 0.02 . 2 . . . . 27 HIS HB2 . 6611 1 258 . 1 1 27 27 HIS HB3 H 1 2.77 0.02 . 2 . . . . 27 HIS HB3 . 6611 1 259 . 1 1 27 27 HIS CA C 13 54.0 0.20 . 1 . . . . 27 HIS CA . 6611 1 260 . 1 1 27 27 HIS CB C 13 31.4 0.20 . 1 . . . . 27 HIS CB . 6611 1 261 . 1 1 27 27 HIS N N 15 118.5 0.10 . 1 . . . . 27 HIS N . 6611 1 262 . 1 1 28 28 PRO HA H 1 5.57 0.02 . 1 . . . . 28 PRO HA . 6611 1 263 . 1 1 28 28 PRO HB2 H 1 1.87 0.02 . 2 . . . . 28 PRO HB2 . 6611 1 264 . 1 1 28 28 PRO HG2 H 1 2.18 0.02 . 2 . . . . 28 PRO HG2 . 6611 1 265 . 1 1 28 28 PRO HG3 H 1 2.38 0.02 . 2 . . . . 28 PRO HG3 . 6611 1 266 . 1 1 28 28 PRO HD2 H 1 3.35 0.02 . 2 . . . . 28 PRO HD2 . 6611 1 267 . 1 1 28 28 PRO HD3 H 1 3.92 0.02 . 2 . . . . 28 PRO HD3 . 6611 1 268 . 1 1 28 28 PRO CA C 13 62.4 0.20 . 1 . . . . 28 PRO CA . 6611 1 269 . 1 1 28 28 PRO CB C 13 33.3 0.20 . 1 . . . . 28 PRO CB . 6611 1 270 . 1 1 28 28 PRO CG C 13 26.9 0.20 . 1 . . . . 28 PRO CG . 6611 1 271 . 1 1 28 28 PRO CD C 13 51.1 0.20 . 1 . . . . 28 PRO CD . 6611 1 272 . 1 1 29 29 ASP H H 1 8.92 0.02 . 1 . . . . 29 ASP H . 6611 1 273 . 1 1 29 29 ASP HA H 1 4.92 0.02 . 1 . . . . 29 ASP HA . 6611 1 274 . 1 1 29 29 ASP HB2 H 1 2.49 0.02 . 2 . . . . 29 ASP HB2 . 6611 1 275 . 1 1 29 29 ASP HB3 H 1 2.76 0.02 . 2 . . . . 29 ASP HB3 . 6611 1 276 . 1 1 29 29 ASP CA C 13 53.0 0.20 . 1 . . . . 29 ASP CA . 6611 1 277 . 1 1 29 29 ASP CB C 13 45.3 0.20 . 1 . . . . 29 ASP CB . 6611 1 278 . 1 1 29 29 ASP N N 15 121.2 0.10 . 1 . . . . 29 ASP N . 6611 1 279 . 1 1 30 30 THR H H 1 8.85 0.02 . 1 . . . . 30 THR H . 6611 1 280 . 1 1 30 30 THR HA H 1 5.42 0.02 . 1 . . . . 30 THR HA . 6611 1 281 . 1 1 30 30 THR HB H 1 3.95 0.02 . 1 . . . . 30 THR HB . 6611 1 282 . 1 1 30 30 THR HG21 H 1 0.99 0.02 . 1 . . . . 30 THR HG2 . 6611 1 283 . 1 1 30 30 THR HG22 H 1 0.99 0.02 . 1 . . . . 30 THR HG2 . 6611 1 284 . 1 1 30 30 THR HG23 H 1 0.99 0.02 . 1 . . . . 30 THR HG2 . 6611 1 285 . 1 1 30 30 THR CA C 13 60.2 0.20 . 1 . . . . 30 THR CA . 6611 1 286 . 1 1 30 30 THR CB C 13 72.8 0.20 . 1 . . . . 30 THR CB . 6611 1 287 . 1 1 30 30 THR CG2 C 13 22.1 0.20 . 1 . . . . 30 THR CG2 . 6611 1 288 . 1 1 30 30 THR N N 15 112.8 0.10 . 1 . . . . 30 THR N . 6611 1 289 . 1 1 31 31 ALA H H 1 8.59 0.02 . 1 . . . . 31 ALA H . 6611 1 290 . 1 1 31 31 ALA HA H 1 4.55 0.02 . 1 . . . . 31 ALA HA . 6611 1 291 . 1 1 31 31 ALA HB1 H 1 1.16 0.02 . 1 . . . . 31 ALA HB . 6611 1 292 . 1 1 31 31 ALA HB2 H 1 1.16 0.02 . 1 . . . . 31 ALA HB . 6611 1 293 . 1 1 31 31 ALA HB3 H 1 1.16 0.02 . 1 . . . . 31 ALA HB . 6611 1 294 . 1 1 31 31 ALA CA C 13 51.2 0.20 . 1 . . . . 31 ALA CA . 6611 1 295 . 1 1 31 31 ALA CB C 13 22.4 0.20 . 1 . . . . 31 ALA CB . 6611 1 296 . 1 1 31 31 ALA N N 15 122.6 0.10 . 1 . . . . 31 ALA N . 6611 1 297 . 1 1 32 32 LYS H H 1 8.32 0.02 . 1 . . . . 32 LYS H . 6611 1 298 . 1 1 32 32 LYS HA H 1 4.49 0.02 . 1 . . . . 32 LYS HA . 6611 1 299 . 1 1 32 32 LYS HB2 H 1 1.69 0.02 . 2 . . . . 32 LYS HB2 . 6611 1 300 . 1 1 32 32 LYS HB3 H 1 1.97 0.02 . 2 . . . . 32 LYS HB3 . 6611 1 301 . 1 1 32 32 LYS HG2 H 1 1.44 0.02 . 2 . . . . 32 LYS HG2 . 6611 1 302 . 1 1 32 32 LYS HG3 H 1 1.57 0.02 . 2 . . . . 32 LYS HG3 . 6611 1 303 . 1 1 32 32 LYS HD2 H 1 1.74 0.02 . 2 . . . . 32 LYS HD2 . 6611 1 304 . 1 1 32 32 LYS HE2 H 1 2.94 0.02 . 2 . . . . 32 LYS HE2 . 6611 1 305 . 1 1 32 32 LYS CA C 13 56.4 0.20 . 1 . . . . 32 LYS CA . 6611 1 306 . 1 1 32 32 LYS CB C 13 33.9 0.20 . 1 . . . . 32 LYS CB . 6611 1 307 . 1 1 32 32 LYS CG C 13 25.3 0.20 . 1 . . . . 32 LYS CG . 6611 1 308 . 1 1 32 32 LYS CD C 13 29.4 0.20 . 1 . . . . 32 LYS CD . 6611 1 309 . 1 1 32 32 LYS CE C 13 42.4 0.20 . 1 . . . . 32 LYS CE . 6611 1 310 . 1 1 32 32 LYS N N 15 119.2 0.10 . 1 . . . . 32 LYS N . 6611 1 311 . 1 1 33 33 THR H H 1 7.12 0.02 . 1 . . . . 33 THR H . 6611 1 312 . 1 1 33 33 THR HA H 1 4.15 0.02 . 1 . . . . 33 THR HA . 6611 1 313 . 1 1 33 33 THR HB H 1 4.61 0.02 . 1 . . . . 33 THR HB . 6611 1 314 . 1 1 33 33 THR HG21 H 1 1.01 0.02 . 1 . . . . 33 THR HG2 . 6611 1 315 . 1 1 33 33 THR HG22 H 1 1.01 0.02 . 1 . . . . 33 THR HG2 . 6611 1 316 . 1 1 33 33 THR HG23 H 1 1.01 0.02 . 1 . . . . 33 THR HG2 . 6611 1 317 . 1 1 33 33 THR CA C 13 59.3 0.20 . 1 . . . . 33 THR CA . 6611 1 318 . 1 1 33 33 THR CB C 13 72.2 0.20 . 1 . . . . 33 THR CB . 6611 1 319 . 1 1 33 33 THR CG2 C 13 22.8 0.20 . 1 . . . . 33 THR CG2 . 6611 1 320 . 1 1 33 33 THR N N 15 104.9 0.10 . 1 . . . . 33 THR N . 6611 1 321 . 1 1 34 34 LEU H H 1 11.1 0.02 . 1 . . . . 34 LEU H . 6611 1 322 . 1 1 34 34 LEU HA H 1 3.38 0.02 . 1 . . . . 34 LEU HA . 6611 1 323 . 1 1 34 34 LEU HB2 H 1 0.54 0.02 . 2 . . . . 34 LEU HB2 . 6611 1 324 . 1 1 34 34 LEU HB3 H 1 1.31 0.02 . 2 . . . . 34 LEU HB3 . 6611 1 325 . 1 1 34 34 LEU HG H 1 1.02 0.02 . 1 . . . . 34 LEU HG . 6611 1 326 . 1 1 34 34 LEU HD11 H 1 0.15 0.02 . 1 . . . . 34 LEU HD1 . 6611 1 327 . 1 1 34 34 LEU HD12 H 1 0.15 0.02 . 1 . . . . 34 LEU HD1 . 6611 1 328 . 1 1 34 34 LEU HD13 H 1 0.15 0.02 . 1 . . . . 34 LEU HD1 . 6611 1 329 . 1 1 34 34 LEU HD21 H 1 -0.37 0.02 . 1 . . . . 34 LEU HD2 . 6611 1 330 . 1 1 34 34 LEU HD22 H 1 -0.37 0.02 . 1 . . . . 34 LEU HD2 . 6611 1 331 . 1 1 34 34 LEU HD23 H 1 -0.37 0.02 . 1 . . . . 34 LEU HD2 . 6611 1 332 . 1 1 34 34 LEU CA C 13 57.7 0.20 . 1 . . . . 34 LEU CA . 6611 1 333 . 1 1 34 34 LEU CB C 13 39.6 0.20 . 1 . . . . 34 LEU CB . 6611 1 334 . 1 1 34 34 LEU CG C 13 26.2 0.20 . 1 . . . . 34 LEU CG . 6611 1 335 . 1 1 34 34 LEU CD1 C 13 25.0 0.20 . 1 . . . . 34 LEU CD1 . 6611 1 336 . 1 1 34 34 LEU CD2 C 13 21.7 0.20 . 1 . . . . 34 LEU CD2 . 6611 1 337 . 1 1 34 34 LEU N N 15 126.2 0.10 . 1 . . . . 34 LEU N . 6611 1 338 . 1 1 35 35 ARG H H 1 8.56 0.02 . 1 . . . . 35 ARG H . 6611 1 339 . 1 1 35 35 ARG HA H 1 3.81 0.02 . 1 . . . . 35 ARG HA . 6611 1 340 . 1 1 35 35 ARG HB2 H 1 1.64 0.02 . 2 . . . . 35 ARG HB2 . 6611 1 341 . 1 1 35 35 ARG HB3 H 1 1.74 0.02 . 2 . . . . 35 ARG HB3 . 6611 1 342 . 1 1 35 35 ARG HG2 H 1 1.60 0.02 . 2 . . . . 35 ARG HG2 . 6611 1 343 . 1 1 35 35 ARG HD2 H 1 3.08 0.02 . 2 . . . . 35 ARG HD2 . 6611 1 344 . 1 1 35 35 ARG HD3 H 1 3.15 0.02 . 2 . . . . 35 ARG HD3 . 6611 1 345 . 1 1 35 35 ARG CA C 13 59.5 0.20 . 1 . . . . 35 ARG CA . 6611 1 346 . 1 1 35 35 ARG CB C 13 30.3 0.20 . 1 . . . . 35 ARG CB . 6611 1 347 . 1 1 35 35 ARG CG C 13 26.7 0.20 . 1 . . . . 35 ARG CG . 6611 1 348 . 1 1 35 35 ARG CD C 13 43.4 0.20 . 1 . . . . 35 ARG CD . 6611 1 349 . 1 1 35 35 ARG N N 15 120.2 0.10 . 1 . . . . 35 ARG N . 6611 1 350 . 1 1 36 36 GLU H H 1 7.82 0.02 . 1 . . . . 36 GLU H . 6611 1 351 . 1 1 36 36 GLU HA H 1 3.92 0.02 . 1 . . . . 36 GLU HA . 6611 1 352 . 1 1 36 36 GLU HB2 H 1 1.94 0.02 . 2 . . . . 36 GLU HB2 . 6611 1 353 . 1 1 36 36 GLU HG2 H 1 2.24 0.02 . 2 . . . . 36 GLU HG2 . 6611 1 354 . 1 1 36 36 GLU CA C 13 59.0 0.20 . 1 . . . . 36 GLU CA . 6611 1 355 . 1 1 36 36 GLU CB C 13 30.60 0.20 . 1 . . . . 36 GLU CB . 6611 1 356 . 1 1 36 36 GLU CG C 13 37.0 0.20 . 1 . . . . 36 GLU CG . 6611 1 357 . 1 1 36 36 GLU N N 15 119.9 0.10 . 1 . . . . 36 GLU N . 6611 1 358 . 1 1 37 37 ALA H H 1 7.82 0.02 . 1 . . . . 37 ALA H . 6611 1 359 . 1 1 37 37 ALA HA H 1 3.60 0.02 . 1 . . . . 37 ALA HA . 6611 1 360 . 1 1 37 37 ALA HB1 H 1 1.23 0.02 . 1 . . . . 37 ALA HB . 6611 1 361 . 1 1 37 37 ALA HB2 H 1 1.23 0.02 . 1 . . . . 37 ALA HB . 6611 1 362 . 1 1 37 37 ALA HB3 H 1 1.23 0.02 . 1 . . . . 37 ALA HB . 6611 1 363 . 1 1 37 37 ALA CA C 13 55.90 0.20 . 1 . . . . 37 ALA CA . 6611 1 364 . 1 1 37 37 ALA CB C 13 19.0 0.20 . 1 . . . . 37 ALA CB . 6611 1 365 . 1 1 37 37 ALA N N 15 122.6 0.10 . 1 . . . . 37 ALA N . 6611 1 366 . 1 1 38 38 GLU H H 1 8.51 0.02 . 1 . . . . 38 GLU H . 6611 1 367 . 1 1 38 38 GLU HA H 1 3.72 0.02 . 1 . . . . 38 GLU HA . 6611 1 368 . 1 1 38 38 GLU HB2 H 1 1.81 0.02 . 2 . . . . 38 GLU HB2 . 6611 1 369 . 1 1 38 38 GLU HB3 H 1 1.92 0.02 . 2 . . . . 38 GLU HB3 . 6611 1 370 . 1 1 38 38 GLU HG2 H 1 1.26 0.02 . 2 . . . . 38 GLU HG2 . 6611 1 371 . 1 1 38 38 GLU HG3 H 1 2.12 0.02 . 2 . . . . 38 GLU HG3 . 6611 1 372 . 1 1 38 38 GLU CA C 13 59.9 0.20 . 1 . . . . 38 GLU CA . 6611 1 373 . 1 1 38 38 GLU CB C 13 30.20 0.20 . 1 . . . . 38 GLU CB . 6611 1 374 . 1 1 38 38 GLU CG C 13 36.2 0.20 . 1 . . . . 38 GLU CG . 6611 1 375 . 1 1 38 38 GLU N N 15 117.3 0.10 . 1 . . . . 38 GLU N . 6611 1 376 . 1 1 39 39 LYS H H 1 6.81 0.02 . 1 . . . . 39 LYS H . 6611 1 377 . 1 1 39 39 LYS HA H 1 3.94 0.02 . 1 . . . . 39 LYS HA . 6611 1 378 . 1 1 39 39 LYS HB2 H 1 1.89 0.02 . 2 . . . . 39 LYS HB2 . 6611 1 379 . 1 1 39 39 LYS HG2 H 1 1.36 0.02 . 2 . . . . 39 LYS HG2 . 6611 1 380 . 1 1 39 39 LYS HG3 H 1 1.51 0.02 . 2 . . . . 39 LYS HG3 . 6611 1 381 . 1 1 39 39 LYS HD2 H 1 1.58 0.02 . 2 . . . . 39 LYS HD2 . 6611 1 382 . 1 1 39 39 LYS HE2 H 1 2.94 0.02 . 2 . . . . 39 LYS HE2 . 6611 1 383 . 1 1 39 39 LYS CA C 13 59.5 0.20 . 1 . . . . 39 LYS CA . 6611 1 384 . 1 1 39 39 LYS CB C 13 32.9 0.20 . 1 . . . . 39 LYS CB . 6611 1 385 . 1 1 39 39 LYS CG C 13 25.1 0.20 . 1 . . . . 39 LYS CG . 6611 1 386 . 1 1 39 39 LYS CD C 13 29.8 0.20 . 1 . . . . 39 LYS CD . 6611 1 387 . 1 1 39 39 LYS CE C 13 42.5 0.20 . 1 . . . . 39 LYS CE . 6611 1 388 . 1 1 39 39 LYS N N 15 116.4 0.10 . 1 . . . . 39 LYS N . 6611 1 389 . 1 1 40 40 LYS H H 1 7.76 0.02 . 1 . . . . 40 LYS H . 6611 1 390 . 1 1 40 40 LYS HA H 1 4.17 0.02 . 1 . . . . 40 LYS HA . 6611 1 391 . 1 1 40 40 LYS HB2 H 1 1.81 0.02 . 2 . . . . 40 LYS HB2 . 6611 1 392 . 1 1 40 40 LYS HG2 H 1 1.53 0.02 . 2 . . . . 40 LYS HG2 . 6611 1 393 . 1 1 40 40 LYS CA C 13 60.7 0.20 . 1 . . . . 40 LYS CA . 6611 1 394 . 1 1 40 40 LYS CB C 13 33.3 0.20 . 1 . . . . 40 LYS CB . 6611 1 395 . 1 1 40 40 LYS CG C 13 27.1 0.20 . 1 . . . . 40 LYS CG . 6611 1 396 . 1 1 40 40 LYS N N 15 117.8 0.10 . 1 . . . . 40 LYS N . 6611 1 397 . 1 1 41 41 ILE H H 1 8.49 0.02 . 1 . . . . 41 ILE H . 6611 1 398 . 1 1 41 41 ILE HA H 1 4.24 0.02 . 1 . . . . 41 ILE HA . 6611 1 399 . 1 1 41 41 ILE HB H 1 2.05 0.02 . 1 . . . . 41 ILE HB . 6611 1 400 . 1 1 41 41 ILE HG12 H 1 1.20 0.02 . 2 . . . . 41 ILE HG12 . 6611 1 401 . 1 1 41 41 ILE HG13 H 1 1.80 0.02 . 2 . . . . 41 ILE HG13 . 6611 1 402 . 1 1 41 41 ILE HG21 H 1 0.97 0.02 . 1 . . . . 41 ILE HG2 . 6611 1 403 . 1 1 41 41 ILE HG22 H 1 0.97 0.02 . 1 . . . . 41 ILE HG2 . 6611 1 404 . 1 1 41 41 ILE HG23 H 1 0.97 0.02 . 1 . . . . 41 ILE HG2 . 6611 1 405 . 1 1 41 41 ILE HD11 H 1 0.91 0.02 . 1 . . . . 41 ILE HD1 . 6611 1 406 . 1 1 41 41 ILE HD12 H 1 0.91 0.02 . 1 . . . . 41 ILE HD1 . 6611 1 407 . 1 1 41 41 ILE HD13 H 1 0.91 0.02 . 1 . . . . 41 ILE HD1 . 6611 1 408 . 1 1 41 41 ILE CA C 13 64.7 0.20 . 1 . . . . 41 ILE CA . 6611 1 409 . 1 1 41 41 ILE CB C 13 38.9 0.20 . 1 . . . . 41 ILE CB . 6611 1 410 . 1 1 41 41 ILE CG1 C 13 30.1 0.20 . 1 . . . . 41 ILE CG1 . 6611 1 411 . 1 1 41 41 ILE CG2 C 13 17.7 0.20 . 1 . . . . 41 ILE CG2 . 6611 1 412 . 1 1 41 41 ILE CD1 C 13 15.7 0.20 . 1 . . . . 41 ILE CD1 . 6611 1 413 . 1 1 41 41 ILE N N 15 117.4 0.10 . 1 . . . . 41 ILE N . 6611 1 414 . 1 1 42 42 LYS H H 1 7.43 0.02 . 1 . . . . 42 LYS H . 6611 1 415 . 1 1 42 42 LYS HA H 1 4.18 0.02 . 1 . . . . 42 LYS HA . 6611 1 416 . 1 1 42 42 LYS HB2 H 1 1.92 0.02 . 2 . . . . 42 LYS HB2 . 6611 1 417 . 1 1 42 42 LYS HG2 H 1 1.52 0.02 . 2 . . . . 42 LYS HG2 . 6611 1 418 . 1 1 42 42 LYS HD2 H 1 1.72 0.02 . 2 . . . . 42 LYS HD2 . 6611 1 419 . 1 1 42 42 LYS HE2 H 1 2.99 0.02 . 2 . . . . 42 LYS HE2 . 6611 1 420 . 1 1 42 42 LYS CA C 13 58.1 0.20 . 1 . . . . 42 LYS CA . 6611 1 421 . 1 1 42 42 LYS CB C 13 32.8 0.20 . 1 . . . . 42 LYS CB . 6611 1 422 . 1 1 42 42 LYS CG C 13 29.2 0.20 . 1 . . . . 42 LYS CG . 6611 1 423 . 1 1 42 42 LYS CD C 13 26.0 0.20 . 1 . . . . 42 LYS CD . 6611 1 424 . 1 1 42 42 LYS CE C 13 42.2 0.20 . 1 . . . . 42 LYS CE . 6611 1 425 . 1 1 42 42 LYS N N 15 115.3 0.10 . 1 . . . . 42 LYS N . 6611 1 426 . 1 1 43 43 GLU H H 1 7.57 0.02 . 1 . . . . 43 GLU H . 6611 1 427 . 1 1 43 43 GLU HA H 1 4.19 0.02 . 1 . . . . 43 GLU HA . 6611 1 428 . 1 1 43 43 GLU HB2 H 1 2.08 0.02 . 2 . . . . 43 GLU HB2 . 6611 1 429 . 1 1 43 43 GLU HG2 H 1 2.26 0.02 . 2 . . . . 43 GLU HG2 . 6611 1 430 . 1 1 43 43 GLU HG3 H 1 2.46 0.02 . 2 . . . . 43 GLU HG3 . 6611 1 431 . 1 1 43 43 GLU CA C 13 58.2 0.20 . 1 . . . . 43 GLU CA . 6611 1 432 . 1 1 43 43 GLU CB C 13 31.7 0.20 . 1 . . . . 43 GLU CB . 6611 1 433 . 1 1 43 43 GLU CG C 13 36.8 0.20 . 1 . . . . 43 GLU CG . 6611 1 434 . 1 1 43 43 GLU N N 15 118.5 0.10 . 1 . . . . 43 GLU N . 6611 1 435 . 1 1 44 44 LEU H H 1 8.08 0.02 . 1 . . . . 44 LEU H . 6611 1 436 . 1 1 44 44 LEU HA H 1 4.36 0.02 . 1 . . . . 44 LEU HA . 6611 1 437 . 1 1 44 44 LEU HB2 H 1 0.83 0.02 . 2 . . . . 44 LEU HB2 . 6611 1 438 . 1 1 44 44 LEU HB3 H 1 1.35 0.02 . 2 . . . . 44 LEU HB3 . 6611 1 439 . 1 1 44 44 LEU HG H 1 1.23 0.02 . 1 . . . . 44 LEU HG . 6611 1 440 . 1 1 44 44 LEU HD11 H 1 0.67 0.02 . 1 . . . . 44 LEU HD1 . 6611 1 441 . 1 1 44 44 LEU HD12 H 1 0.67 0.02 . 1 . . . . 44 LEU HD1 . 6611 1 442 . 1 1 44 44 LEU HD13 H 1 0.67 0.02 . 1 . . . . 44 LEU HD1 . 6611 1 443 . 1 1 44 44 LEU HD21 H 1 0.67 0.02 . 1 . . . . 44 LEU HD2 . 6611 1 444 . 1 1 44 44 LEU HD22 H 1 0.67 0.02 . 1 . . . . 44 LEU HD2 . 6611 1 445 . 1 1 44 44 LEU HD23 H 1 0.67 0.02 . 1 . . . . 44 LEU HD2 . 6611 1 446 . 1 1 44 44 LEU CA C 13 54.0 0.20 . 1 . . . . 44 LEU CA . 6611 1 447 . 1 1 44 44 LEU CB C 13 46.6 0.20 . 1 . . . . 44 LEU CB . 6611 1 448 . 1 1 44 44 LEU CG C 13 26.7 0.20 . 1 . . . . 44 LEU CG . 6611 1 449 . 1 1 44 44 LEU CD1 C 13 25.5 0.20 . 1 . . . . 44 LEU CD1 . 6611 1 450 . 1 1 44 44 LEU CD2 C 13 24.6 0.20 . 1 . . . . 44 LEU CD2 . 6611 1 451 . 1 1 44 44 LEU N N 15 121.5 0.10 . 1 . . . . 44 LEU N . 6611 1 452 . 1 1 45 45 PHE H H 1 7.50 0.02 . 1 . . . . 45 PHE H . 6611 1 453 . 1 1 45 45 PHE HA H 1 4.91 0.02 . 1 . . . . 45 PHE HA . 6611 1 454 . 1 1 45 45 PHE HB2 H 1 2.62 0.02 . 2 . . . . 45 PHE HB2 . 6611 1 455 . 1 1 45 45 PHE HB3 H 1 3.04 0.02 . 2 . . . . 45 PHE HB3 . 6611 1 456 . 1 1 45 45 PHE HD1 H 1 7.12 0.02 . 3 . . . . 45 PHE HD1 . 6611 1 457 . 1 1 45 45 PHE HE1 H 1 7.13 0.02 . 3 . . . . 45 PHE HE1 . 6611 1 458 . 1 1 45 45 PHE HZ H 1 6.97 0.02 . 1 . . . . 45 PHE HZ . 6611 1 459 . 1 1 45 45 PHE CA C 13 56.0 0.20 . 1 . . . . 45 PHE CA . 6611 1 460 . 1 1 45 45 PHE CB C 13 39.4 0.20 . 1 . . . . 45 PHE CB . 6611 1 461 . 1 1 45 45 PHE N N 15 117.3 0.10 . 1 . . . . 45 PHE N . 6611 1 462 . 1 1 46 46 PHE H H 1 9.08 0.02 . 1 . . . . 46 PHE H . 6611 1 463 . 1 1 46 46 PHE HA H 1 4.36 0.02 . 1 . . . . 46 PHE HA . 6611 1 464 . 1 1 46 46 PHE HB2 H 1 2.58 0.02 . 2 . . . . 46 PHE HB2 . 6611 1 465 . 1 1 46 46 PHE HB3 H 1 2.47 0.02 . 2 . . . . 46 PHE HB3 . 6611 1 466 . 1 1 46 46 PHE HD1 H 1 6.94 0.02 . 3 . . . . 46 PHE HD1 . 6611 1 467 . 1 1 46 46 PHE HE1 H 1 7.17 0.02 . 3 . . . . 46 PHE HE1 . 6611 1 468 . 1 1 46 46 PHE HZ H 1 7.27 0.02 . 1 . . . . 46 PHE HZ . 6611 1 469 . 1 1 46 46 PHE CA C 13 54.9 0.20 . 1 . . . . 46 PHE CA . 6611 1 470 . 1 1 46 46 PHE CB C 13 40.0 0.20 . 1 . . . . 46 PHE CB . 6611 1 471 . 1 1 46 46 PHE N N 15 129.50 0.10 . 1 . . . . 46 PHE N . 6611 1 472 . 1 1 47 47 PRO HA H 1 3.70 0.02 . 1 . . . . 47 PRO HA . 6611 1 473 . 1 1 47 47 PRO HB2 H 1 2.01 0.02 . 2 . . . . 47 PRO HB2 . 6611 1 474 . 1 1 47 47 PRO HB3 H 1 1.50 0.02 . 2 . . . . 47 PRO HB3 . 6611 1 475 . 1 1 47 47 PRO HG2 H 1 1.87 0.02 . 2 . . . . 47 PRO HG2 . 6611 1 476 . 1 1 47 47 PRO HG3 H 1 2.22 0.02 . 2 . . . . 47 PRO HG3 . 6611 1 477 . 1 1 47 47 PRO HD2 H 1 3.15 0.02 . 2 . . . . 47 PRO HD2 . 6611 1 478 . 1 1 47 47 PRO HD3 H 1 4.33 0.02 . 2 . . . . 47 PRO HD3 . 6611 1 479 . 1 1 47 47 PRO CA C 13 64.2 0.20 . 1 . . . . 47 PRO CA . 6611 1 480 . 1 1 47 47 PRO CB C 13 32.3 0.20 . 1 . . . . 47 PRO CB . 6611 1 481 . 1 1 47 47 PRO CG C 13 27.5 0.20 . 1 . . . . 47 PRO CG . 6611 1 482 . 1 1 47 47 PRO CD C 13 51.5 0.20 . 1 . . . . 47 PRO CD . 6611 1 483 . 1 1 48 48 VAL H H 1 6.51 0.02 . 1 . . . . 48 VAL H . 6611 1 484 . 1 1 48 48 VAL HA H 1 4.62 0.02 . 1 . . . . 48 VAL HA . 6611 1 485 . 1 1 48 48 VAL HB H 1 1.48 0.02 . 1 . . . . 48 VAL HB . 6611 1 486 . 1 1 48 48 VAL HG11 H 1 0.49 0.02 . 1 . . . . 48 VAL HG1 . 6611 1 487 . 1 1 48 48 VAL HG12 H 1 0.49 0.02 . 1 . . . . 48 VAL HG1 . 6611 1 488 . 1 1 48 48 VAL HG13 H 1 0.49 0.02 . 1 . . . . 48 VAL HG1 . 6611 1 489 . 1 1 48 48 VAL HG21 H 1 -0.02 0.02 . 1 . . . . 48 VAL HG2 . 6611 1 490 . 1 1 48 48 VAL HG22 H 1 -0.02 0.02 . 1 . . . . 48 VAL HG2 . 6611 1 491 . 1 1 48 48 VAL HG23 H 1 -0.02 0.02 . 1 . . . . 48 VAL HG2 . 6611 1 492 . 1 1 48 48 VAL CA C 13 60.8 0.20 . 1 . . . . 48 VAL CA . 6611 1 493 . 1 1 48 48 VAL CB C 13 35.8 0.20 . 1 . . . . 48 VAL CB . 6611 1 494 . 1 1 48 48 VAL CG1 C 13 22.5 0.20 . 1 . . . . 48 VAL CG1 . 6611 1 495 . 1 1 48 48 VAL CG2 C 13 22.7 0.20 . 1 . . . . 48 VAL CG2 . 6611 1 496 . 1 1 48 48 VAL N N 15 112.65 0.10 . 1 . . . . 48 VAL N . 6611 1 497 . 1 1 49 49 ILE H H 1 8.71 0.02 . 1 . . . . 49 ILE H . 6611 1 498 . 1 1 49 49 ILE HA H 1 4.58 0.02 . 1 . . . . 49 ILE HA . 6611 1 499 . 1 1 49 49 ILE HB H 1 1.45 0.02 . 1 . . . . 49 ILE HB . 6611 1 500 . 1 1 49 49 ILE HG12 H 1 1.49 0.02 . 2 . . . . 49 ILE HG12 . 6611 1 501 . 1 1 49 49 ILE HG13 H 1 0.81 0.02 . 2 . . . . 49 ILE HG13 . 6611 1 502 . 1 1 49 49 ILE HG21 H 1 0.72 0.02 . 1 . . . . 49 ILE HG2 . 6611 1 503 . 1 1 49 49 ILE HG22 H 1 0.72 0.02 . 1 . . . . 49 ILE HG2 . 6611 1 504 . 1 1 49 49 ILE HG23 H 1 0.72 0.02 . 1 . . . . 49 ILE HG2 . 6611 1 505 . 1 1 49 49 ILE HD11 H 1 0.92 0.02 . 1 . . . . 49 ILE HD1 . 6611 1 506 . 1 1 49 49 ILE HD12 H 1 0.92 0.02 . 1 . . . . 49 ILE HD1 . 6611 1 507 . 1 1 49 49 ILE HD13 H 1 0.92 0.02 . 1 . . . . 49 ILE HD1 . 6611 1 508 . 1 1 49 49 ILE CA C 13 60.3 0.20 . 1 . . . . 49 ILE CA . 6611 1 509 . 1 1 49 49 ILE CB C 13 42.7 0.20 . 1 . . . . 49 ILE CB . 6611 1 510 . 1 1 49 49 ILE CG1 C 13 28.2 0.20 . 1 . . . . 49 ILE CG1 . 6611 1 511 . 1 1 49 49 ILE CG2 C 13 17.1 0.20 . 1 . . . . 49 ILE CG2 . 6611 1 512 . 1 1 49 49 ILE CD1 C 13 14.9 0.20 . 1 . . . . 49 ILE CD1 . 6611 1 513 . 1 1 49 49 ILE N N 15 127.2 0.10 . 1 . . . . 49 ILE N . 6611 1 514 . 1 1 50 50 VAL H H 1 9.34 0.02 . 1 . . . . 50 VAL H . 6611 1 515 . 1 1 50 50 VAL HA H 1 4.90 0.02 . 1 . . . . 50 VAL HA . 6611 1 516 . 1 1 50 50 VAL HB H 1 1.98 0.02 . 1 . . . . 50 VAL HB . 6611 1 517 . 1 1 50 50 VAL HG11 H 1 0.77 0.02 . 1 . . . . 50 VAL HG1 . 6611 1 518 . 1 1 50 50 VAL HG12 H 1 0.77 0.02 . 1 . . . . 50 VAL HG1 . 6611 1 519 . 1 1 50 50 VAL HG13 H 1 0.77 0.02 . 1 . . . . 50 VAL HG1 . 6611 1 520 . 1 1 50 50 VAL HG21 H 1 0.70 0.02 . 1 . . . . 50 VAL HG2 . 6611 1 521 . 1 1 50 50 VAL HG22 H 1 0.70 0.02 . 1 . . . . 50 VAL HG2 . 6611 1 522 . 1 1 50 50 VAL HG23 H 1 0.70 0.02 . 1 . . . . 50 VAL HG2 . 6611 1 523 . 1 1 50 50 VAL CA C 13 60.8 0.20 . 1 . . . . 50 VAL CA . 6611 1 524 . 1 1 50 50 VAL CB C 13 33.2 0.20 . 1 . . . . 50 VAL CB . 6611 1 525 . 1 1 50 50 VAL CG1 C 13 21.8 0.20 . 1 . . . . 50 VAL CG1 . 6611 1 526 . 1 1 50 50 VAL CG2 C 13 21.8 0.20 . 1 . . . . 50 VAL CG2 . 6611 1 527 . 1 1 50 50 VAL N N 15 129.44 0.10 . 1 . . . . 50 VAL N . 6611 1 528 . 1 1 51 51 LEU H H 1 9.03 0.02 . 1 . . . . 51 LEU H . 6611 1 529 . 1 1 51 51 LEU HA H 1 5.09 0.02 . 1 . . . . 51 LEU HA . 6611 1 530 . 1 1 51 51 LEU HB2 H 1 1.09 0.02 . 2 . . . . 51 LEU HB2 . 6611 1 531 . 1 1 51 51 LEU HB3 H 1 1.51 0.02 . 2 . . . . 51 LEU HB3 . 6611 1 532 . 1 1 51 51 LEU HG H 1 1.34 0.02 . 1 . . . . 51 LEU HG . 6611 1 533 . 1 1 51 51 LEU HD11 H 1 0.70 0.02 . 1 . . . . 51 LEU HD1 . 6611 1 534 . 1 1 51 51 LEU HD12 H 1 0.70 0.02 . 1 . . . . 51 LEU HD1 . 6611 1 535 . 1 1 51 51 LEU HD13 H 1 0.70 0.02 . 1 . . . . 51 LEU HD1 . 6611 1 536 . 1 1 51 51 LEU HD21 H 1 0.80 0.02 . 1 . . . . 51 LEU HD2 . 6611 1 537 . 1 1 51 51 LEU HD22 H 1 0.80 0.02 . 1 . . . . 51 LEU HD2 . 6611 1 538 . 1 1 51 51 LEU HD23 H 1 0.80 0.02 . 1 . . . . 51 LEU HD2 . 6611 1 539 . 1 1 51 51 LEU CA C 13 53.9 0.20 . 1 . . . . 51 LEU CA . 6611 1 540 . 1 1 51 51 LEU CB C 13 48.6 0.20 . 1 . . . . 51 LEU CB . 6611 1 541 . 1 1 51 51 LEU CG C 13 27.3 0.20 . 1 . . . . 51 LEU CG . 6611 1 542 . 1 1 51 51 LEU CD1 C 13 25.2 0.20 . 1 . . . . 51 LEU CD1 . 6611 1 543 . 1 1 51 51 LEU CD2 C 13 27.6 0.20 . 1 . . . . 51 LEU CD2 . 6611 1 544 . 1 1 51 51 LEU N N 15 129.1 0.10 . 1 . . . . 51 LEU N . 6611 1 545 . 1 1 52 52 ASP H H 1 7.99 0.02 . 1 . . . . 52 ASP H . 6611 1 546 . 1 1 52 52 ASP HA H 1 5.22 0.02 . 1 . . . . 52 ASP HA . 6611 1 547 . 1 1 52 52 ASP HB2 H 1 2.80 0.02 . 2 . . . . 52 ASP HB2 . 6611 1 548 . 1 1 52 52 ASP HB3 H 1 2.92 0.02 . 2 . . . . 52 ASP HB3 . 6611 1 549 . 1 1 52 52 ASP CA C 13 53.5 0.20 . 1 . . . . 52 ASP CA . 6611 1 550 . 1 1 52 52 ASP CB C 13 41.7 0.20 . 1 . . . . 52 ASP CB . 6611 1 551 . 1 1 52 52 ASP N N 15 126.5 0.10 . 1 . . . . 52 ASP N . 6611 1 552 . 1 1 53 53 VAL H H 1 7.35 0.02 . 1 . . . . 53 VAL H . 6611 1 553 . 1 1 53 53 VAL HA H 1 3.69 0.02 . 1 . . . . 53 VAL HA . 6611 1 554 . 1 1 53 53 VAL HB H 1 2.13 0.02 . 1 . . . . 53 VAL HB . 6611 1 555 . 1 1 53 53 VAL HG11 H 1 0.89 0.02 . 2 . . . . 53 VAL HG1 . 6611 1 556 . 1 1 53 53 VAL HG12 H 1 0.89 0.02 . 2 . . . . 53 VAL HG1 . 6611 1 557 . 1 1 53 53 VAL HG13 H 1 0.89 0.02 . 2 . . . . 53 VAL HG1 . 6611 1 558 . 1 1 53 53 VAL HG21 H 1 0.73 0.02 . 2 . . . . 53 VAL HG2 . 6611 1 559 . 1 1 53 53 VAL HG22 H 1 0.73 0.02 . 2 . . . . 53 VAL HG2 . 6611 1 560 . 1 1 53 53 VAL HG23 H 1 0.73 0.02 . 2 . . . . 53 VAL HG2 . 6611 1 561 . 1 1 53 53 VAL CA C 13 64.7 0.20 . 1 . . . . 53 VAL CA . 6611 1 562 . 1 1 53 53 VAL CB C 13 32.1 0.20 . 1 . . . . 53 VAL CB . 6611 1 563 . 1 1 53 53 VAL CG1 C 13 20.8 0.20 . 2 . . . . 53 VAL CG1 . 6611 1 564 . 1 1 53 53 VAL CG2 C 13 22.9 0.20 . 2 . . . . 53 VAL CG2 . 6611 1 565 . 1 1 53 53 VAL N N 15 116.4 0.10 . 1 . . . . 53 VAL N . 6611 1 566 . 1 1 54 54 TRP HE3 H 1 7.57 0.02 . 1 . . . . 54 TYR HE3 . 6611 1 567 . 1 1 54 54 TRP HZ2 H 1 7.37 0.02 . 1 . . . . 54 TYR HZ2 . 6611 1 568 . 1 1 54 54 TRP HZ3 H 1 7.06 0.02 . 1 . . . . 54 TYR HZ3 . 6611 1 569 . 1 1 54 54 TRP HH2 H 1 7.13 0.02 . 1 . . . . 54 TYR HH2 . 6611 1 570 . 1 1 54 54 TRP CA C 13 57.3 0.20 . 1 . . . . 54 TYR CA . 6611 1 571 . 1 1 54 54 TRP CB C 13 30.1 0.20 . 1 . . . . 54 TYR CB . 6611 1 572 . 1 1 54 54 TRP N N 15 124.5 0.10 . 1 . . . . 54 TYR N . 6611 1 573 . 1 1 54 54 TRP NE1 N 15 128.6 0.10 . 1 . . . . 54 TYR NE1 . 6611 1 574 . 1 1 54 54 TRP H H 1 8.72 0.02 . 1 . . . . 54 TRP H . 6611 1 575 . 1 1 54 54 TRP HA H 1 4.79 0.02 . 1 . . . . 54 TRP HA . 6611 1 576 . 1 1 54 54 TRP HB2 H 1 2.94 0.02 . 2 . . . . 54 TRP HB2 . 6611 1 577 . 1 1 54 54 TRP HB3 H 1 3.26 0.02 . 2 . . . . 54 TRP HB3 . 6611 1 578 . 1 1 54 54 TRP HD1 H 1 7.20 0.02 . 1 . . . . 54 TRP HD1 . 6611 1 579 . 1 1 54 54 TRP HE1 H 1 9.78 0.02 . 1 . . . . 54 TRP HE1 . 6611 1 580 . 1 1 55 55 MET H H 1 7.36 0.02 . 1 . . . . 55 MET H . 6611 1 581 . 1 1 55 55 MET N N 15 124.0 0.10 . 1 . . . . 55 MET N . 6611 1 582 . 1 1 56 56 PRO HA H 1 4.08 0.02 . 1 . . . . 56 PRO HA . 6611 1 583 . 1 1 56 56 PRO HB2 H 1 1.80 0.02 . 2 . . . . 56 PRO HB2 . 6611 1 584 . 1 1 56 56 PRO HB3 H 1 2.32 0.02 . 2 . . . . 56 PRO HB3 . 6611 1 585 . 1 1 56 56 PRO HG2 H 1 2.01 0.02 . 2 . . . . 56 PRO HG2 . 6611 1 586 . 1 1 56 56 PRO HG3 H 1 2.14 0.02 . 2 . . . . 56 PRO HG3 . 6611 1 587 . 1 1 56 56 PRO HD2 H 1 3.55 0.02 . 2 . . . . 56 PRO HD2 . 6611 1 588 . 1 1 56 56 PRO HD3 H 1 3.64 0.02 . 2 . . . . 56 PRO HD3 . 6611 1 589 . 1 1 56 56 PRO CA C 13 64.7 0.20 . 1 . . . . 56 PRO CA . 6611 1 590 . 1 1 56 56 PRO CB C 13 32.3 0.20 . 1 . . . . 56 PRO CB . 6611 1 591 . 1 1 56 56 PRO CG C 13 27.9 0.20 . 1 . . . . 56 PRO CG . 6611 1 592 . 1 1 56 56 PRO CD C 13 50.7 0.20 . 1 . . . . 56 PRO CD . 6611 1 593 . 1 1 57 57 ASP H H 1 8.57 0.02 . 1 . . . . 57 ASP H . 6611 1 594 . 1 1 57 57 ASP HA H 1 4.53 0.02 . 1 . . . . 57 ASP HA . 6611 1 595 . 1 1 57 57 ASP HB2 H 1 2.36 0.02 . 2 . . . . 57 ASP HB2 . 6611 1 596 . 1 1 57 57 ASP HB3 H 1 2.80 0.02 . 2 . . . . 57 ASP HB3 . 6611 1 597 . 1 1 57 57 ASP CA C 13 52.4 0.20 . 1 . . . . 57 ASP CA . 6611 1 598 . 1 1 57 57 ASP CB C 13 39.6 0.20 . 1 . . . . 57 ASP CB . 6611 1 599 . 1 1 57 57 ASP N N 15 112.5 0.10 . 1 . . . . 57 ASP N . 6611 1 600 . 1 1 58 58 GLY H H 1 6.99 0.02 . 1 . . . . 58 GLY H . 6611 1 601 . 1 1 58 58 GLY HA2 H 1 3.62 0.02 . 2 . . . . 58 GLY HA2 . 6611 1 602 . 1 1 58 58 GLY HA3 H 1 4.01 0.02 . 2 . . . . 58 GLY HA3 . 6611 1 603 . 1 1 58 58 GLY CA C 13 45.7 0.20 . 1 . . . . 58 GLY CA . 6611 1 604 . 1 1 58 58 GLY N N 15 106.3 0.10 . 1 . . . . 58 GLY N . 6611 1 605 . 1 1 59 59 ASP H H 1 7.79 0.02 . 1 . . . . 59 ASP H . 6611 1 606 . 1 1 59 59 ASP HA H 1 4.64 0.02 . 1 . . . . 59 ASP HA . 6611 1 607 . 1 1 59 59 ASP HB2 H 1 2.53 0.02 . 2 . . . . 59 ASP HB2 . 6611 1 608 . 1 1 59 59 ASP HB3 H 1 2.69 0.02 . 2 . . . . 59 ASP HB3 . 6611 1 609 . 1 1 59 59 ASP CA C 13 53.6 0.20 . 1 . . . . 59 ASP CA . 6611 1 610 . 1 1 59 59 ASP CB C 13 43.3 0.20 . 1 . . . . 59 ASP CB . 6611 1 611 . 1 1 59 59 ASP N N 15 118.37 0.10 . 1 . . . . 59 ASP N . 6611 1 612 . 1 1 60 60 GLY H H 1 9.03 0.02 . 1 . . . . 60 GLY H . 6611 1 613 . 1 1 60 60 GLY HA2 H 1 3.68 0.02 . 2 . . . . 60 GLY HA2 . 6611 1 614 . 1 1 60 60 GLY HA3 H 1 4.02 0.02 . 2 . . . . 60 GLY HA3 . 6611 1 615 . 1 1 60 60 GLY CA C 13 47.1 0.20 . 1 . . . . 60 GLY CA . 6611 1 616 . 1 1 60 60 GLY N N 15 115.8 0.10 . 1 . . . . 60 GLY N . 6611 1 617 . 1 1 61 61 VAL H H 1 8.02 0.02 . 1 . . . . 61 VAL H . 6611 1 618 . 1 1 61 61 VAL HA H 1 3.62 0.02 . 1 . . . . 61 VAL HA . 6611 1 619 . 1 1 61 61 VAL HB H 1 2.34 0.02 . 1 . . . . 61 VAL HB . 6611 1 620 . 1 1 61 61 VAL HG11 H 1 0.77 0.02 . 1 . . . . 61 VAL HG1 . 6611 1 621 . 1 1 61 61 VAL HG12 H 1 0.77 0.02 . 1 . . . . 61 VAL HG1 . 6611 1 622 . 1 1 61 61 VAL HG13 H 1 0.77 0.02 . 1 . . . . 61 VAL HG1 . 6611 1 623 . 1 1 61 61 VAL HG21 H 1 0.98 0.02 . 1 . . . . 61 VAL HG2 . 6611 1 624 . 1 1 61 61 VAL HG22 H 1 0.98 0.02 . 1 . . . . 61 VAL HG2 . 6611 1 625 . 1 1 61 61 VAL HG23 H 1 0.98 0.02 . 1 . . . . 61 VAL HG2 . 6611 1 626 . 1 1 61 61 VAL CA C 13 66.90 0.20 . 1 . . . . 61 VAL CA . 6611 1 627 . 1 1 61 61 VAL CB C 13 30.7 0.20 . 1 . . . . 61 VAL CB . 6611 1 628 . 1 1 61 61 VAL CG1 C 13 22.2 0.20 . 1 . . . . 61 VAL CG1 . 6611 1 629 . 1 1 61 61 VAL CG2 C 13 24.3 0.20 . 1 . . . . 61 VAL CG2 . 6611 1 630 . 1 1 61 61 VAL N N 15 119.40 0.10 . 1 . . . . 61 VAL N . 6611 1 631 . 1 1 62 62 ASN H H 1 7.90 0.02 . 1 . . . . 62 ASN H . 6611 1 632 . 1 1 62 62 ASN HA H 1 4.38 0.02 . 1 . . . . 62 ASN HA . 6611 1 633 . 1 1 62 62 ASN HB2 H 1 2.76 0.02 . 2 . . . . 62 ASN HB2 . 6611 1 634 . 1 1 62 62 ASN HB3 H 1 2.90 0.02 . 2 . . . . 62 ASN HB3 . 6611 1 635 . 1 1 62 62 ASN HD21 H 1 7.72 0.02 . 2 . . . . 62 ASN HD21 . 6611 1 636 . 1 1 62 62 ASN HD22 H 1 6.76 0.02 . 2 . . . . 62 ASN HD22 . 6611 1 637 . 1 1 62 62 ASN CA C 13 55.7 0.20 . 1 . . . . 62 ASN CA . 6611 1 638 . 1 1 62 62 ASN CB C 13 38.1 0.20 . 1 . . . . 62 ASN CB . 6611 1 639 . 1 1 62 62 ASN N N 15 118.35 0.10 . 1 . . . . 62 ASN N . 6611 1 640 . 1 1 62 62 ASN ND2 N 15 112.27 0.10 . 1 . . . . 62 ASN ND2 . 6611 1 641 . 1 1 63 63 PHE H H 1 7.67 0.02 . 1 . . . . 63 PHE H . 6611 1 642 . 1 1 63 63 PHE HA H 1 4.42 0.02 . 1 . . . . 63 PHE HA . 6611 1 643 . 1 1 63 63 PHE HB2 H 1 3.15 0.02 . 2 . . . . 63 PHE HB2 . 6611 1 644 . 1 1 63 63 PHE HD1 H 1 7.07 0.02 . 3 . . . . 63 PHE HD1 . 6611 1 645 . 1 1 63 63 PHE HE1 H 1 6.74 0.02 . 3 . . . . 63 PHE HE1 . 6611 1 646 . 1 1 63 63 PHE HZ H 1 6.53 0.02 . 1 . . . . 63 PHE HZ . 6611 1 647 . 1 1 63 63 PHE CA C 13 60.5 0.20 . 1 . . . . 63 PHE CA . 6611 1 648 . 1 1 63 63 PHE CB C 13 40.1 0.20 . 1 . . . . 63 PHE CB . 6611 1 649 . 1 1 63 63 PHE N N 15 120.93 0.10 . 1 . . . . 63 PHE N . 6611 1 650 . 1 1 64 64 ILE H H 1 7.69 0.02 . 1 . . . . 64 ILE H . 6611 1 651 . 1 1 64 64 ILE HA H 1 3.33 0.02 . 1 . . . . 64 ILE HA . 6611 1 652 . 1 1 64 64 ILE HB H 1 1.89 0.02 . 1 . . . . 64 ILE HB . 6611 1 653 . 1 1 64 64 ILE HG12 H 1 2.17 0.02 . 2 . . . . 64 ILE HG12 . 6611 1 654 . 1 1 64 64 ILE HG21 H 1 0.73 0.02 . 1 . . . . 64 ILE HG2 . 6611 1 655 . 1 1 64 64 ILE HG22 H 1 0.73 0.02 . 1 . . . . 64 ILE HG2 . 6611 1 656 . 1 1 64 64 ILE HG23 H 1 0.73 0.02 . 1 . . . . 64 ILE HG2 . 6611 1 657 . 1 1 64 64 ILE HD11 H 1 0.92 0.02 . 1 . . . . 64 ILE HD1 . 6611 1 658 . 1 1 64 64 ILE HD12 H 1 0.92 0.02 . 1 . . . . 64 ILE HD1 . 6611 1 659 . 1 1 64 64 ILE HD13 H 1 0.92 0.02 . 1 . . . . 64 ILE HD1 . 6611 1 660 . 1 1 64 64 ILE CA C 13 66.6 0.20 . 1 . . . . 64 ILE CA . 6611 1 661 . 1 1 64 64 ILE CB C 13 37.8 0.20 . 1 . . . . 64 ILE CB . 6611 1 662 . 1 1 64 64 ILE CG1 C 13 30.3 0.20 . 1 . . . . 64 ILE CG1 . 6611 1 663 . 1 1 64 64 ILE CG2 C 13 17.8 0.20 . 1 . . . . 64 ILE CG2 . 6611 1 664 . 1 1 64 64 ILE CD1 C 13 14.5 0.20 . 1 . . . . 64 ILE CD1 . 6611 1 665 . 1 1 64 64 ILE N N 15 119.2 0.10 . 1 . . . . 64 ILE N . 6611 1 666 . 1 1 65 65 ASP H H 1 7.33 0.02 . 1 . . . . 65 ASP H . 6611 1 667 . 1 1 65 65 ASP HA H 1 4.30 0.02 . 1 . . . . 65 ASP HA . 6611 1 668 . 1 1 65 65 ASP HB2 H 1 2.61 0.02 . 2 . . . . 65 ASP HB2 . 6611 1 669 . 1 1 65 65 ASP HB3 H 1 2.72 0.02 . 2 . . . . 65 ASP HB3 . 6611 1 670 . 1 1 65 65 ASP CA C 13 58.2 0.20 . 1 . . . . 65 ASP CA . 6611 1 671 . 1 1 65 65 ASP CB C 13 40.4 0.20 . 1 . . . . 65 ASP CB . 6611 1 672 . 1 1 65 65 ASP N N 15 117.9 0.10 . 1 . . . . 65 ASP N . 6611 1 673 . 1 1 66 66 PHE H H 1 7.00 0.02 . 1 . . . . 66 PHE H . 6611 1 674 . 1 1 66 66 PHE HA H 1 3.93 0.02 . 1 . . . . 66 PHE HA . 6611 1 675 . 1 1 66 66 PHE HB2 H 1 2.50 0.02 . 2 . . . . 66 PHE HB2 . 6611 1 676 . 1 1 66 66 PHE HB3 H 1 2.88 0.02 . 2 . . . . 66 PHE HB3 . 6611 1 677 . 1 1 66 66 PHE HD1 H 1 6.66 0.02 . 3 . . . . 66 PHE HD1 . 6611 1 678 . 1 1 66 66 PHE HE1 H 1 7.09 0.02 . 1 . . . . 66 PHE HE1 . 6611 1 679 . 1 1 66 66 PHE HZ H 1 7.09 0.02 . 1 . . . . 66 PHE HZ . 6611 1 680 . 1 1 66 66 PHE CA C 13 61.8 0.20 . 1 . . . . 66 PHE CA . 6611 1 681 . 1 1 66 66 PHE CB C 13 38.6 0.20 . 1 . . . . 66 PHE CB . 6611 1 682 . 1 1 66 66 PHE N N 15 120.83 0.10 . 1 . . . . 66 PHE N . 6611 1 683 . 1 1 67 67 ILE H H 1 7.58 0.02 . 1 . . . . 67 ILE H . 6611 1 684 . 1 1 67 67 ILE HA H 1 2.95 0.02 . 1 . . . . 67 ILE HA . 6611 1 685 . 1 1 67 67 ILE HB H 1 1.78 0.02 . 1 . . . . 67 ILE HB . 6611 1 686 . 1 1 67 67 ILE HG12 H 1 1.51 0.02 . 2 . . . . 67 ILE HG12 . 6611 1 687 . 1 1 67 67 ILE HG21 H 1 0.77 0.02 . 1 . . . . 67 ILE HG2 . 6611 1 688 . 1 1 67 67 ILE HG22 H 1 0.77 0.02 . 1 . . . . 67 ILE HG2 . 6611 1 689 . 1 1 67 67 ILE HG23 H 1 0.77 0.02 . 1 . . . . 67 ILE HG2 . 6611 1 690 . 1 1 67 67 ILE HD11 H 1 0.84 0.02 . 1 . . . . 67 ILE HD1 . 6611 1 691 . 1 1 67 67 ILE HD12 H 1 0.84 0.02 . 1 . . . . 67 ILE HD1 . 6611 1 692 . 1 1 67 67 ILE HD13 H 1 0.84 0.02 . 1 . . . . 67 ILE HD1 . 6611 1 693 . 1 1 67 67 ILE CA C 13 66.4 0.20 . 1 . . . . 67 ILE CA . 6611 1 694 . 1 1 67 67 ILE CB C 13 38.2 0.20 . 1 . . . . 67 ILE CB . 6611 1 695 . 1 1 67 67 ILE CG1 C 13 29.6 0.20 . 1 . . . . 67 ILE CG1 . 6611 1 696 . 1 1 67 67 ILE CG2 C 13 18.3 0.20 . 1 . . . . 67 ILE CG2 . 6611 1 697 . 1 1 67 67 ILE CD1 C 13 15.7 0.20 . 1 . . . . 67 ILE CD1 . 6611 1 698 . 1 1 67 67 ILE N N 15 122.1 0.10 . 1 . . . . 67 ILE N . 6611 1 699 . 1 1 68 68 LYS H H 1 8.37 0.02 . 1 . . . . 68 LYS H . 6611 1 700 . 1 1 68 68 LYS HA H 1 3.79 0.02 . 1 . . . . 68 LYS HA . 6611 1 701 . 1 1 68 68 LYS HB2 H 1 1.76 0.02 . 2 . . . . 68 LYS HB2 . 6611 1 702 . 1 1 68 68 LYS HB3 H 1 1.90 0.02 . 2 . . . . 68 LYS HB3 . 6611 1 703 . 1 1 68 68 LYS HG2 H 1 1.44 0.02 . 2 . . . . 68 LYS HG2 . 6611 1 704 . 1 1 68 68 LYS HG3 H 1 1.63 0.02 . 2 . . . . 68 LYS HG3 . 6611 1 705 . 1 1 68 68 LYS HD2 H 1 1.72 0.02 . 2 . . . . 68 LYS HD2 . 6611 1 706 . 1 1 68 68 LYS HE2 H 1 2.85 0.02 . 2 . . . . 68 LYS HE2 . 6611 1 707 . 1 1 68 68 LYS HE3 H 1 3.02 0.02 . 2 . . . . 68 LYS HE3 . 6611 1 708 . 1 1 68 68 LYS CA C 13 58.7 0.20 . 1 . . . . 68 LYS CA . 6611 1 709 . 1 1 68 68 LYS CB C 13 31.6 0.20 . 1 . . . . 68 LYS CB . 6611 1 710 . 1 1 68 68 LYS CG C 13 25.0 0.20 . 1 . . . . 68 LYS CG . 6611 1 711 . 1 1 68 68 LYS CD C 13 28.7 0.20 . 1 . . . . 68 LYS CD . 6611 1 712 . 1 1 68 68 LYS CE C 13 42.5 0.20 . 1 . . . . 68 LYS CE . 6611 1 713 . 1 1 68 68 LYS N N 15 118.2 0.10 . 1 . . . . 68 LYS N . 6611 1 714 . 1 1 69 69 GLU H H 1 7.25 0.02 . 1 . . . . 69 GLU H . 6611 1 715 . 1 1 69 69 GLU HA H 1 3.96 0.02 . 1 . . . . 69 GLU HA . 6611 1 716 . 1 1 69 69 GLU HB2 H 1 1.68 0.02 . 2 . . . . 69 GLU HB2 . 6611 1 717 . 1 1 69 69 GLU HB3 H 1 1.81 0.02 . 2 . . . . 69 GLU HB3 . 6611 1 718 . 1 1 69 69 GLU HG2 H 1 1.93 0.02 . 2 . . . . 69 GLU HG2 . 6611 1 719 . 1 1 69 69 GLU HG3 H 1 2.13 0.02 . 2 . . . . 69 GLU HG3 . 6611 1 720 . 1 1 69 69 GLU CA C 13 58.5 0.20 . 1 . . . . 69 GLU CA . 6611 1 721 . 1 1 69 69 GLU CB C 13 30.7 0.20 . 1 . . . . 69 GLU CB . 6611 1 722 . 1 1 69 69 GLU CG C 13 36.3 0.20 . 1 . . . . 69 GLU CG . 6611 1 723 . 1 1 69 69 GLU N N 15 115.0 0.10 . 1 . . . . 69 GLU N . 6611 1 724 . 1 1 70 70 ASN H H 1 7.35 0.02 . 1 . . . . 70 ASN H . 6611 1 725 . 1 1 70 70 ASN HA H 1 4.44 0.02 . 1 . . . . 70 ASN HA . 6611 1 726 . 1 1 70 70 ASN HB2 H 1 1.64 0.02 . 2 . . . . 70 ASN HB2 . 6611 1 727 . 1 1 70 70 ASN HB3 H 1 2.05 0.02 . 2 . . . . 70 ASN HB3 . 6611 1 728 . 1 1 70 70 ASN HD21 H 1 6.65 0.02 . 2 . . . . 70 ASN HD21 . 6611 1 729 . 1 1 70 70 ASN HD22 H 1 6.01 0.02 . 2 . . . . 70 ASN HD22 . 6611 1 730 . 1 1 70 70 ASN CA C 13 55.5 0.20 . 1 . . . . 70 ASN CA . 6611 1 731 . 1 1 70 70 ASN CB C 13 41.2 0.20 . 1 . . . . 70 ASN CB . 6611 1 732 . 1 1 70 70 ASN N N 15 113.6 0.10 . 1 . . . . 70 ASN N . 6611 1 733 . 1 1 70 70 ASN ND2 N 15 117.6 0.10 . 1 . . . . 70 ASN ND . 6611 1 734 . 1 1 71 71 SER H H 1 8.86 0.02 . 1 . . . . 71 SER H . 6611 1 735 . 1 1 71 71 SER HA H 1 4.73 0.02 . 1 . . . . 71 SER HA . 6611 1 736 . 1 1 71 71 SER HB2 H 1 3.95 0.02 . 2 . . . . 71 SER HB2 . 6611 1 737 . 1 1 71 71 SER HB3 H 1 3.24 0.02 . 2 . . . . 71 SER HB3 . 6611 1 738 . 1 1 71 71 SER CA C 13 55.5 0.20 . 1 . . . . 71 SER CA . 6611 1 739 . 1 1 71 71 SER CB C 13 62.4 0.20 . 1 . . . . 71 SER CB . 6611 1 740 . 1 1 71 71 SER N N 15 116.3 0.10 . 1 . . . . 71 SER N . 6611 1 741 . 1 1 72 72 PRO HA H 1 4.28 0.02 . 1 . . . . 72 PRO HA . 6611 1 742 . 1 1 72 72 PRO HB2 H 1 1.89 0.02 . 2 . . . . 72 PRO HB2 . 6611 1 743 . 1 1 72 72 PRO HB3 H 1 2.50 0.02 . 2 . . . . 72 PRO HB3 . 6611 1 744 . 1 1 72 72 PRO HG2 H 1 1.77 0.02 . 2 . . . . 72 PRO HG2 . 6611 1 745 . 1 1 72 72 PRO HG3 H 1 1.89 0.02 . 2 . . . . 72 PRO HG3 . 6611 1 746 . 1 1 72 72 PRO HD2 H 1 3.06 0.02 . 2 . . . . 72 PRO HD2 . 6611 1 747 . 1 1 72 72 PRO HD3 H 1 3.52 0.02 . 2 . . . . 72 PRO HD3 . 6611 1 748 . 1 1 72 72 PRO CA C 13 65.4 0.20 . 1 . . . . 72 PRO CA . 6611 1 749 . 1 1 72 72 PRO CB C 13 32.3 0.20 . 1 . . . . 72 PRO CB . 6611 1 750 . 1 1 72 72 PRO CG C 13 27.1 0.20 . 1 . . . . 72 PRO CG . 6611 1 751 . 1 1 72 72 PRO CD C 13 50.6 0.20 . 1 . . . . 72 PRO CD . 6611 1 752 . 1 1 73 73 ASP H H 1 8.31 0.02 . 1 . . . . 73 ASP H . 6611 1 753 . 1 1 73 73 ASP HA H 1 4.68 0.02 . 1 . . . . 73 ASP HA . 6611 1 754 . 1 1 73 73 ASP HB2 H 1 2.46 0.02 . 2 . . . . 73 ASP HB2 . 6611 1 755 . 1 1 73 73 ASP HB3 H 1 2.83 0.02 . 2 . . . . 73 ASP HB3 . 6611 1 756 . 1 1 73 73 ASP CA C 13 55.3 0.20 . 1 . . . . 73 ASP CA . 6611 1 757 . 1 1 73 73 ASP CB C 13 41.2 0.20 . 1 . . . . 73 ASP CB . 6611 1 758 . 1 1 73 73 ASP N N 15 116.1 0.1 . 1 . . . . 73 ASP N . 6611 1 759 . 1 1 74 74 SER H H 1 8.08 0.02 . 1 . . . . 74 SER H . 6611 1 760 . 1 1 74 74 SER HA H 1 4.30 0.02 . 1 . . . . 74 SER HA . 6611 1 761 . 1 1 74 74 SER HB2 H 1 3.53 0.02 . 2 . . . . 74 SER HB2 . 6611 1 762 . 1 1 74 74 SER HB3 H 1 3.67 0.02 . 2 . . . . 74 SER HB3 . 6611 1 763 . 1 1 74 74 SER CA C 13 61.4 0.20 . 1 . . . . 74 SER CA . 6611 1 764 . 1 1 74 74 SER CB C 13 64.1 0.20 . 1 . . . . 74 SER CB . 6611 1 765 . 1 1 74 74 SER N N 15 118.0 0.10 . 1 . . . . 74 SER N . 6611 1 766 . 1 1 75 75 VAL H H 1 8.54 0.02 . 1 . . . . 75 VAL H . 6611 1 767 . 1 1 75 75 VAL HA H 1 3.88 0.02 . 1 . . . . 75 VAL HA . 6611 1 768 . 1 1 75 75 VAL HB H 1 1.75 0.02 . 1 . . . . 75 VAL HB . 6611 1 769 . 1 1 75 75 VAL HG11 H 1 0.44 0.02 . 1 . . . . 75 VAL HG1 . 6611 1 770 . 1 1 75 75 VAL HG12 H 1 0.44 0.02 . 1 . . . . 75 VAL HG1 . 6611 1 771 . 1 1 75 75 VAL HG13 H 1 0.44 0.02 . 1 . . . . 75 VAL HG1 . 6611 1 772 . 1 1 75 75 VAL HG21 H 1 0.66 0.02 . 1 . . . . 75 VAL HG2 . 6611 1 773 . 1 1 75 75 VAL HG22 H 1 0.66 0.02 . 1 . . . . 75 VAL HG2 . 6611 1 774 . 1 1 75 75 VAL HG23 H 1 0.66 0.02 . 1 . . . . 75 VAL HG2 . 6611 1 775 . 1 1 75 75 VAL CA C 13 62.5 0.20 . 1 . . . . 75 VAL CA . 6611 1 776 . 1 1 75 75 VAL CB C 13 32.9 0.20 . 1 . . . . 75 VAL CB . 6611 1 777 . 1 1 75 75 VAL CG1 C 13 22.1 0.20 . 1 . . . . 75 VAL CG1 . 6611 1 778 . 1 1 75 75 VAL CG2 C 13 21.7 0.20 . 1 . . . . 75 VAL CG2 . 6611 1 779 . 1 1 75 75 VAL N N 15 126.8 0.10 . 1 . . . . 75 VAL N . 6611 1 780 . 1 1 76 76 VAL H H 1 8.65 0.02 . 1 . . . . 76 VAL H . 6611 1 781 . 1 1 76 76 VAL HA H 1 4.90 0.02 . 1 . . . . 76 VAL HA . 6611 1 782 . 1 1 76 76 VAL HB H 1 1.82 0.02 . 1 . . . . 76 VAL HB . 6611 1 783 . 1 1 76 76 VAL HG11 H 1 0.77 0.02 . 1 . . . . 76 VAL HG1 . 6611 1 784 . 1 1 76 76 VAL HG12 H 1 0.77 0.02 . 1 . . . . 76 VAL HG1 . 6611 1 785 . 1 1 76 76 VAL HG13 H 1 0.77 0.02 . 1 . . . . 76 VAL HG1 . 6611 1 786 . 1 1 76 76 VAL HG21 H 1 0.82 0.02 . 1 . . . . 76 VAL HG2 . 6611 1 787 . 1 1 76 76 VAL HG22 H 1 0.82 0.02 . 1 . . . . 76 VAL HG2 . 6611 1 788 . 1 1 76 76 VAL HG23 H 1 0.82 0.02 . 1 . . . . 76 VAL HG2 . 6611 1 789 . 1 1 76 76 VAL CA C 13 61.5 0.20 . 1 . . . . 76 VAL CA . 6611 1 790 . 1 1 76 76 VAL CB C 13 34.4 0.20 . 1 . . . . 76 VAL CB . 6611 1 791 . 1 1 76 76 VAL CG1 C 13 22.0 0.20 . 1 . . . . 76 VAL CG1 . 6611 1 792 . 1 1 76 76 VAL CG2 C 13 23.0 0.20 . 1 . . . . 76 VAL CG2 . 6611 1 793 . 1 1 76 76 VAL N N 15 126.1 0.10 . 1 . . . . 76 VAL N . 6611 1 794 . 1 1 77 77 ILE H H 1 9.29 0.02 . 1 . . . . 77 ILE H . 6611 1 795 . 1 1 77 77 ILE HA H 1 5.20 0.02 . 1 . . . . 77 ILE HA . 6611 1 796 . 1 1 77 77 ILE HB H 1 1.55 0.02 . 1 . . . . 77 ILE HB . 6611 1 797 . 1 1 77 77 ILE HG12 H 1 1.47 0.02 . 2 . . . . 77 ILE HG12 . 6611 1 798 . 1 1 77 77 ILE HG13 H 1 0.74 0.02 . 2 . . . . 77 ILE HG13 . 6611 1 799 . 1 1 77 77 ILE HG21 H 1 0.66 0.02 . 1 . . . . 77 ILE HG2 . 6611 1 800 . 1 1 77 77 ILE HG22 H 1 0.66 0.02 . 1 . . . . 77 ILE HG2 . 6611 1 801 . 1 1 77 77 ILE HG23 H 1 0.66 0.02 . 1 . . . . 77 ILE HG2 . 6611 1 802 . 1 1 77 77 ILE HD11 H 1 0.60 0.02 . 1 . . . . 77 ILE HD1 . 6611 1 803 . 1 1 77 77 ILE HD12 H 1 0.60 0.02 . 1 . . . . 77 ILE HD1 . 6611 1 804 . 1 1 77 77 ILE HD13 H 1 0.60 0.02 . 1 . . . . 77 ILE HD1 . 6611 1 805 . 1 1 77 77 ILE CA C 13 58.8 0.20 . 1 . . . . 77 ILE CA . 6611 1 806 . 1 1 77 77 ILE CB C 13 41.5 0.20 . 1 . . . . 77 ILE CB . 6611 1 807 . 1 1 77 77 ILE CG2 C 13 18.6 0.20 . 1 . . . . 77 ILE CG2 . 6611 1 808 . 1 1 77 77 ILE CD1 C 13 13.9 0.20 . 1 . . . . 77 ILE CD1 . 6611 1 809 . 1 1 77 77 ILE N N 15 129.9 0.10 . 1 . . . . 77 ILE N . 6611 1 810 . 1 1 78 78 VAL HA H 1 5.24 0.02 . 1 . . . . 78 VAL HA . 6611 1 811 . 1 1 78 78 VAL HB H 1 1.84 0.02 . 1 . . . . 78 VAL HB . 6611 1 812 . 1 1 78 78 VAL HG11 H 1 0.67 0.02 . 2 . . . . 78 VAL HG1 . 6611 1 813 . 1 1 78 78 VAL HG12 H 1 0.67 0.02 . 2 . . . . 78 VAL HG1 . 6611 1 814 . 1 1 78 78 VAL HG13 H 1 0.67 0.02 . 2 . . . . 78 VAL HG1 . 6611 1 815 . 1 1 78 78 VAL HG21 H 1 0.83 0.02 . 2 . . . . 78 VAL HG2 . 6611 1 816 . 1 1 78 78 VAL HG22 H 1 0.83 0.02 . 2 . . . . 78 VAL HG2 . 6611 1 817 . 1 1 78 78 VAL HG23 H 1 0.83 0.02 . 2 . . . . 78 VAL HG2 . 6611 1 818 . 1 1 78 78 VAL CA C 13 60.4 0.20 . 1 . . . . 78 VAL CA . 6611 1 819 . 1 1 78 78 VAL CB C 13 33.6 0.20 . 1 . . . . 78 VAL CB . 6611 1 820 . 1 1 78 78 VAL CG1 C 13 23.0 0.20 . 2 . . . . 78 VAL CG1 . 6611 1 821 . 1 1 78 78 VAL CG2 C 13 22.2 0.20 . 2 . . . . 78 VAL CG2 . 6611 1 822 . 1 1 79 79 ILE H H 1 8.47 0.02 . 1 . . . . 79 ILE H . 6611 1 823 . 1 1 79 79 ILE HA H 1 4.42 0.02 . 1 . . . . 79 ILE HA . 6611 1 824 . 1 1 79 79 ILE HB H 1 1.58 0.02 . 1 . . . . 79 ILE HB . 6611 1 825 . 1 1 79 79 ILE HG12 H 1 0.85 0.02 . 2 . . . . 79 ILE HG12 . 6611 1 826 . 1 1 79 79 ILE HG13 H 1 1.39 0.02 . 2 . . . . 79 ILE HG13 . 6611 1 827 . 1 1 79 79 ILE HG21 H 1 0.56 0.02 . 1 . . . . 79 ILE HG2 . 6611 1 828 . 1 1 79 79 ILE HG22 H 1 0.56 0.02 . 1 . . . . 79 ILE HG2 . 6611 1 829 . 1 1 79 79 ILE HG23 H 1 0.56 0.02 . 1 . . . . 79 ILE HG2 . 6611 1 830 . 1 1 79 79 ILE HD11 H 1 0.51 0.02 . 1 . . . . 79 ILE HD1 . 6611 1 831 . 1 1 79 79 ILE HD12 H 1 0.51 0.02 . 1 . . . . 79 ILE HD1 . 6611 1 832 . 1 1 79 79 ILE HD13 H 1 0.51 0.02 . 1 . . . . 79 ILE HD1 . 6611 1 833 . 1 1 79 79 ILE CA C 13 60.1 0.20 . 1 . . . . 79 ILE CA . 6611 1 834 . 1 1 79 79 ILE CB C 13 41.0 0.20 . 1 . . . . 79 ILE CB . 6611 1 835 . 1 1 79 79 ILE CG1 C 13 28.8 0.20 . 1 . . . . 79 ILE CG1 . 6611 1 836 . 1 1 79 79 ILE CG2 C 13 17.3 0.20 . 1 . . . . 79 ILE CG2 . 6611 1 837 . 1 1 79 79 ILE CD1 C 13 15.1 0.20 . 1 . . . . 79 ILE CD1 . 6611 1 838 . 1 1 79 79 ILE N N 15 122.0 0.10 . 1 . . . . 79 ILE N . 6611 1 839 . 1 1 80 80 THR H H 1 8.22 0.02 . 1 . . . . 80 THR H . 6611 1 840 . 1 1 80 80 THR HA H 1 4.88 0.02 . 1 . . . . 80 THR HA . 6611 1 841 . 1 1 80 80 THR HB H 1 4.05 0.02 . 1 . . . . 80 THR HB . 6611 1 842 . 1 1 80 80 THR HG21 H 1 0.88 0.02 . 1 . . . . 80 THR HG2 . 6611 1 843 . 1 1 80 80 THR HG22 H 1 0.88 0.02 . 1 . . . . 80 THR HG2 . 6611 1 844 . 1 1 80 80 THR HG23 H 1 0.88 0.02 . 1 . . . . 80 THR HG2 . 6611 1 845 . 1 1 80 80 THR CA C 13 60.1 0.20 . 1 . . . . 80 THR CA . 6611 1 846 . 1 1 80 80 THR CB C 13 70.1 0.20 . 1 . . . . 80 THR CB . 6611 1 847 . 1 1 80 80 THR CG2 C 13 20.6 0.20 . 1 . . . . 80 THR CG2 . 6611 1 848 . 1 1 80 80 THR N N 15 125.6 0.10 . 1 . . . . 80 THR N . 6611 1 849 . 1 1 85 85 VAL HA H 1 3.34 0.02 . 1 . . . . 85 VAL HA . 6611 1 850 . 1 1 85 85 VAL HB H 1 1.94 0.02 . 1 . . . . 85 VAL HB . 6611 1 851 . 1 1 85 85 VAL HG11 H 1 0.76 0.02 . 2 . . . . 85 VAL HG1 . 6611 1 852 . 1 1 85 85 VAL HG12 H 1 0.76 0.02 . 2 . . . . 85 VAL HG1 . 6611 1 853 . 1 1 85 85 VAL HG13 H 1 0.76 0.02 . 2 . . . . 85 VAL HG1 . 6611 1 854 . 1 1 85 85 VAL HG21 H 1 0.79 0.02 . 2 . . . . 85 VAL HG2 . 6611 1 855 . 1 1 85 85 VAL HG22 H 1 0.79 0.02 . 2 . . . . 85 VAL HG2 . 6611 1 856 . 1 1 85 85 VAL HG23 H 1 0.79 0.02 . 2 . . . . 85 VAL HG2 . 6611 1 857 . 1 1 85 85 VAL CA C 13 66.8 0.20 . 1 . . . . 85 VAL CA . 6611 1 858 . 1 1 85 85 VAL CB C 13 31.9 0.20 . 1 . . . . 85 VAL CB . 6611 1 859 . 1 1 85 85 VAL CG1 C 13 22.2 0.20 . 2 . . . . 85 VAL CG1 . 6611 1 860 . 1 1 85 85 VAL CG2 C 13 22.9 0.20 . 2 . . . . 85 VAL CG2 . 6611 1 861 . 1 1 86 86 ASP H H 1 8.33 0.02 . 1 . . . . 86 ASP H . 6611 1 862 . 1 1 86 86 ASP HA H 1 4.27 0.02 . 1 . . . . 86 ASP HA . 6611 1 863 . 1 1 86 86 ASP HB2 H 1 2.56 0.02 . 2 . . . . 86 ASP HB2 . 6611 1 864 . 1 1 86 86 ASP CA C 13 57.7 0.20 . 1 . . . . 86 ASP CA . 6611 1 865 . 1 1 86 86 ASP CB C 13 40.8 0.20 . 1 . . . . 86 ASP CB . 6611 1 866 . 1 1 86 86 ASP N N 15 118.1 0.10 . 1 . . . . 86 ASP N . 6611 1 867 . 1 1 87 87 THR H H 1 7.60 0.02 . 1 . . . . 87 THR H . 6611 1 868 . 1 1 87 87 THR HA H 1 3.79 0.02 . 1 . . . . 87 THR HA . 6611 1 869 . 1 1 87 87 THR HB H 1 4.04 0.02 . 1 . . . . 87 THR HB . 6611 1 870 . 1 1 87 87 THR HG21 H 1 1.30 0.02 . 1 . . . . 87 THR HG2 . 6611 1 871 . 1 1 87 87 THR HG22 H 1 1.30 0.02 . 1 . . . . 87 THR HG2 . 6611 1 872 . 1 1 87 87 THR HG23 H 1 1.30 0.02 . 1 . . . . 87 THR HG2 . 6611 1 873 . 1 1 87 87 THR CA C 13 66.4 0.20 . 1 . . . . 87 THR CA . 6611 1 874 . 1 1 87 87 THR CB C 13 69.0 0.20 . 1 . . . . 87 THR CB . 6611 1 875 . 1 1 87 87 THR CG2 C 13 23.1 0.20 . 1 . . . . 87 THR CG2 . 6611 1 876 . 1 1 87 87 THR N N 15 115.7 0.10 . 1 . . . . 87 THR N . 6611 1 877 . 1 1 88 88 ALA H H 1 7.42 0.02 . 1 . . . . 88 ALA H . 6611 1 878 . 1 1 88 88 ALA HA H 1 2.98 0.02 . 1 . . . . 88 ALA HA . 6611 1 879 . 1 1 88 88 ALA HB1 H 1 0.55 0.02 . 1 . . . . 88 ALA HB . 6611 1 880 . 1 1 88 88 ALA HB2 H 1 0.55 0.02 . 1 . . . . 88 ALA HB . 6611 1 881 . 1 1 88 88 ALA HB3 H 1 0.55 0.02 . 1 . . . . 88 ALA HB . 6611 1 882 . 1 1 88 88 ALA CA C 13 55.50 0.20 . 1 . . . . 88 ALA CA . 6611 1 883 . 1 1 88 88 ALA CB C 13 18.2 0.20 . 1 . . . . 88 ALA CB . 6611 1 884 . 1 1 88 88 ALA N N 15 124.3 0.10 . 1 . . . . 88 ALA N . 6611 1 885 . 1 1 89 89 VAL H H 1 7.93 0.02 . 1 . . . . 89 VAL H . 6611 1 886 . 1 1 89 89 VAL HA H 1 3.20 0.02 . 1 . . . . 89 VAL HA . 6611 1 887 . 1 1 89 89 VAL HB H 1 2.02 0.02 . 1 . . . . 89 VAL HB . 6611 1 888 . 1 1 89 89 VAL HG11 H 1 0.83 0.02 . 1 . . . . 89 VAL HG1 . 6611 1 889 . 1 1 89 89 VAL HG12 H 1 0.83 0.02 . 1 . . . . 89 VAL HG1 . 6611 1 890 . 1 1 89 89 VAL HG13 H 1 0.83 0.02 . 1 . . . . 89 VAL HG1 . 6611 1 891 . 1 1 89 89 VAL HG21 H 1 0.85 0.02 . 1 . . . . 89 VAL HG2 . 6611 1 892 . 1 1 89 89 VAL HG22 H 1 0.85 0.02 . 1 . . . . 89 VAL HG2 . 6611 1 893 . 1 1 89 89 VAL HG23 H 1 0.85 0.02 . 1 . . . . 89 VAL HG2 . 6611 1 894 . 1 1 89 89 VAL CA C 13 67.2 0.20 . 1 . . . . 89 VAL CA . 6611 1 895 . 1 1 89 89 VAL CB C 13 32.10 0.20 . 1 . . . . 89 VAL CB . 6611 1 896 . 1 1 89 89 VAL CG1 C 13 21.3 0.20 . 1 . . . . 89 VAL CG1 . 6611 1 897 . 1 1 89 89 VAL CG2 C 13 23.3 0.20 . 1 . . . . 89 VAL CG2 . 6611 1 898 . 1 1 89 89 VAL N N 15 116.3 0.10 . 1 . . . . 89 VAL N . 6611 1 899 . 1 1 90 90 LYS H H 1 7.45 0.02 . 1 . . . . 90 LYS H . 6611 1 900 . 1 1 90 90 LYS HA H 1 3.79 0.02 . 1 . . . . 90 LYS HA . 6611 1 901 . 1 1 90 90 LYS HB2 H 1 1.72 0.02 . 2 . . . . 90 LYS HB2 . 6611 1 902 . 1 1 90 90 LYS HB3 H 1 1.87 0.02 . 2 . . . . 90 LYS HB3 . 6611 1 903 . 1 1 90 90 LYS HG2 H 1 1.25 0.02 . 2 . . . . 90 LYS HG2 . 6611 1 904 . 1 1 90 90 LYS HG3 H 1 1.54 0.02 . 2 . . . . 90 LYS HG3 . 6611 1 905 . 1 1 90 90 LYS HD2 H 1 1.58 0.02 . 2 . . . . 90 LYS HD2 . 6611 1 906 . 1 1 90 90 LYS HE2 H 1 2.86 0.02 . 2 . . . . 90 LYS HE2 . 6611 1 907 . 1 1 90 90 LYS CA C 13 60.0 0.20 . 1 . . . . 90 LYS CA . 6611 1 908 . 1 1 90 90 LYS CB C 13 33.1 0.20 . 1 . . . . 90 LYS CB . 6611 1 909 . 1 1 90 90 LYS CG C 13 25.8 0.20 . 1 . . . . 90 LYS CG . 6611 1 910 . 1 1 90 90 LYS CD C 13 29.9 0.20 . 1 . . . . 90 LYS CD . 6611 1 911 . 1 1 90 90 LYS CE C 13 42.4 0.20 . 1 . . . . 90 LYS CE . 6611 1 912 . 1 1 90 90 LYS N N 15 118.3 0.10 . 1 . . . . 90 LYS N . 6611 1 913 . 1 1 91 91 ALA H H 1 8.07 0.02 . 1 . . . . 91 ALA H . 6611 1 914 . 1 1 91 91 ALA HA H 1 3.85 0.02 . 1 . . . . 91 ALA HA . 6611 1 915 . 1 1 91 91 ALA HB1 H 1 1.41 0.02 . 1 . . . . 91 ALA HB . 6611 1 916 . 1 1 91 91 ALA HB2 H 1 1.41 0.02 . 1 . . . . 91 ALA HB . 6611 1 917 . 1 1 91 91 ALA HB3 H 1 1.41 0.02 . 1 . . . . 91 ALA HB . 6611 1 918 . 1 1 91 91 ALA CA C 13 55.5 0.20 . 1 . . . . 91 ALA CA . 6611 1 919 . 1 1 91 91 ALA CB C 13 18.5 0.20 . 1 . . . . 91 ALA CB . 6611 1 920 . 1 1 91 91 ALA N N 15 119.3 0.10 . 1 . . . . 91 ALA N . 6611 1 921 . 1 1 92 92 ILE H H 1 8.12 0.02 . 1 . . . . 92 ILE H . 6611 1 922 . 1 1 92 92 ILE HA H 1 4.00 0.02 . 1 . . . . 92 ILE HA . 6611 1 923 . 1 1 92 92 ILE HB H 1 2.01 0.02 . 1 . . . . 92 ILE HB . 6611 1 924 . 1 1 92 92 ILE HG12 H 1 1.26 0.02 . 2 . . . . 92 ILE HG12 . 6611 1 925 . 1 1 92 92 ILE HG13 H 1 1.77 0.02 . 2 . . . . 92 ILE HG13 . 6611 1 926 . 1 1 92 92 ILE HG21 H 1 0.84 0.02 . 1 . . . . 92 ILE HG2 . 6611 1 927 . 1 1 92 92 ILE HG22 H 1 0.84 0.02 . 1 . . . . 92 ILE HG2 . 6611 1 928 . 1 1 92 92 ILE HG23 H 1 0.84 0.02 . 1 . . . . 92 ILE HG2 . 6611 1 929 . 1 1 92 92 ILE HD11 H 1 0.52 0.02 . 1 . . . . 92 ILE HD1 . 6611 1 930 . 1 1 92 92 ILE HD12 H 1 0.52 0.02 . 1 . . . . 92 ILE HD1 . 6611 1 931 . 1 1 92 92 ILE HD13 H 1 0.52 0.02 . 1 . . . . 92 ILE HD1 . 6611 1 932 . 1 1 92 92 ILE CA C 13 62.8 0.20 . 1 . . . . 92 ILE CA . 6611 1 933 . 1 1 92 92 ILE CB C 13 36.0 0.20 . 1 . . . . 92 ILE CB . 6611 1 934 . 1 1 92 92 ILE CG1 C 13 28.1 0.20 . 1 . . . . 92 ILE CG1 . 6611 1 935 . 1 1 92 92 ILE CG2 C 13 18.2 0.20 . 1 . . . . 92 ILE CG2 . 6611 1 936 . 1 1 92 92 ILE CD1 C 13 9.8 0.20 . 1 . . . . 92 ILE CD1 . 6611 1 937 . 1 1 92 92 ILE N N 15 118.5 0.10 . 1 . . . . 92 ILE N . 6611 1 938 . 1 1 93 93 LYS H H 1 8.41 0.02 . 1 . . . . 93 LYS H . 6611 1 939 . 1 1 93 93 LYS HA H 1 3.96 0.02 . 1 . . . . 93 LYS HA . 6611 1 940 . 1 1 93 93 LYS CA C 13 60.2 0.20 . 1 . . . . 93 LYS CA . 6611 1 941 . 1 1 93 93 LYS N N 15 122.0 0.10 . 1 . . . . 93 LYS N . 6611 1 942 . 1 1 94 94 LYS H H 1 7.57 0.02 . 1 . . . . 94 LYS H . 6611 1 943 . 1 1 94 94 LYS HA H 1 4.16 0.02 . 1 . . . . 94 LYS HA . 6611 1 944 . 1 1 94 94 LYS HB2 H 1 1.84 0.02 . 2 . . . . 94 LYS HB2 . 6611 1 945 . 1 1 94 94 LYS CA C 13 57.5 0.20 . 1 . . . . 94 LYS CA . 6611 1 946 . 1 1 94 94 LYS CB C 13 33.9 0.20 . 1 . . . . 94 LYS CB . 6611 1 947 . 1 1 94 94 LYS N N 15 117.0 0.10 . 1 . . . . 94 LYS N . 6611 1 948 . 1 1 95 95 GLY H H 1 7.66 0.02 . 1 . . . . 95 GLY H . 6611 1 949 . 1 1 95 95 GLY HA2 H 1 3.68 0.02 . 2 . . . . 95 GLY HA2 . 6611 1 950 . 1 1 95 95 GLY HA3 H 1 4.41 0.02 . 2 . . . . 95 GLY HA3 . 6611 1 951 . 1 1 95 95 GLY CA C 13 45.0 0.20 . 1 . . . . 95 GLY CA . 6611 1 952 . 1 1 95 95 GLY N N 15 103.7 0.10 . 1 . . . . 95 GLY N . 6611 1 953 . 1 1 96 96 ALA H H 1 8.24 0.02 . 1 . . . . 96 ALA H . 6611 1 954 . 1 1 96 96 ALA HA H 1 4.24 0.02 . 1 . . . . 96 ALA HA . 6611 1 955 . 1 1 96 96 ALA HB1 H 1 1.17 0.02 . 1 . . . . 96 ALA HB . 6611 1 956 . 1 1 96 96 ALA HB2 H 1 1.17 0.02 . 1 . . . . 96 ALA HB . 6611 1 957 . 1 1 96 96 ALA HB3 H 1 1.17 0.02 . 1 . . . . 96 ALA HB . 6611 1 958 . 1 1 96 96 ALA CA C 13 53.4 0.20 . 1 . . . . 96 ALA CA . 6611 1 959 . 1 1 96 96 ALA CB C 13 18.8 0.20 . 1 . . . . 96 ALA CB . 6611 1 960 . 1 1 96 96 ALA N N 15 123.4 0.10 . 1 . . . . 96 ALA N . 6611 1 961 . 1 1 97 97 TYR H H 1 9.26 0.02 . 1 . . . . 97 TYR H . 6611 1 962 . 1 1 97 97 TYR HA H 1 4.30 0.02 . 1 . . . . 97 TYR HA . 6611 1 963 . 1 1 97 97 TYR HB2 H 1 2.47 0.02 . 2 . . . . 97 TYR HB2 . 6611 1 964 . 1 1 97 97 TYR HB3 H 1 3.31 0.02 . 2 . . . . 97 TYR HB3 . 6611 1 965 . 1 1 97 97 TYR HD1 H 1 6.85 0.02 . 3 . . . . 97 TYR HD1 . 6611 1 966 . 1 1 97 97 TYR HE1 H 1 6.73 0.02 . 3 . . . . 97 TYR HE1 . 6611 1 967 . 1 1 97 97 TYR CA C 13 59.7 0.2 . 1 . . . . 97 TYR CA . 6611 1 968 . 1 1 97 97 TYR CB C 13 41.7 0.2 . 1 . . . . 97 TYR CB . 6611 1 969 . 1 1 97 97 TYR N N 15 122.6 0.10 . 1 . . . . 97 TYR N . 6611 1 970 . 1 1 98 98 GLU H H 1 7.38 0.02 . 1 . . . . 98 GLU H . 6611 1 971 . 1 1 98 98 GLU HA H 1 4.44 0.02 . 1 . . . . 98 GLU HA . 6611 1 972 . 1 1 98 98 GLU HB2 H 1 1.52 0.02 . 2 . . . . 98 GLU HB2 . 6611 1 973 . 1 1 98 98 GLU HB3 H 1 1.60 0.02 . 2 . . . . 98 GLU HB3 . 6611 1 974 . 1 1 98 98 GLU HG2 H 1 2.02 0.02 . 2 . . . . 98 GLU HG2 . 6611 1 975 . 1 1 98 98 GLU CA C 13 54.4 0.20 . 1 . . . . 98 GLU CA . 6611 1 976 . 1 1 98 98 GLU CB C 13 35.7 0.20 . 1 . . . . 98 GLU CB . 6611 1 977 . 1 1 98 98 GLU CG C 13 36.8 0.20 . 1 . . . . 98 GLU CG . 6611 1 978 . 1 1 98 98 GLU N N 15 114.0 0.10 . 1 . . . . 98 GLU N . 6611 1 979 . 1 1 99 99 PHE HA H 1 5.44 0.02 . 1 . . . . 99 PHE HA . 6611 1 980 . 1 1 99 99 PHE HB2 H 1 2.45 0.02 . 2 . . . . 99 PHE HB2 . 6611 1 981 . 1 1 99 99 PHE HB3 H 1 2.87 0.02 . 2 . . . . 99 PHE HB3 . 6611 1 982 . 1 1 99 99 PHE HD1 H 1 6.81 0.02 . 3 . . . . 99 PHE HD1 . 6611 1 983 . 1 1 99 99 PHE HE1 H 1 6.99 0.02 . 3 . . . . 99 PHE HE1 . 6611 1 984 . 1 1 99 99 PHE HZ H 1 7.07 0.02 . 1 . . . . 99 PHE HZ . 6611 1 985 . 1 1 99 99 PHE CA C 13 56.2 0.20 . 1 . . . . 99 PHE CA . 6611 1 986 . 1 1 99 99 PHE CB C 13 43.4 0.20 . 1 . . . . 99 PHE CB . 6611 1 987 . 1 1 100 100 LEU H H 1 8.87 0.02 . 1 . . . . 100 LEU H . 6611 1 988 . 1 1 100 100 LEU HA H 1 4.52 0.02 . 1 . . . . 100 LEU HA . 6611 1 989 . 1 1 100 100 LEU HB2 H 1 0.98 0.02 . 2 . . . . 100 LEU HB2 . 6611 1 990 . 1 1 100 100 LEU HB3 H 1 1.32 0.02 . 2 . . . . 100 LEU HB3 . 6611 1 991 . 1 1 100 100 LEU HG H 1 1.24 0.02 . 1 . . . . 100 LEU HG . 6611 1 992 . 1 1 100 100 LEU HD11 H 1 0.56 0.02 . 1 . . . . 100 LEU HD1 . 6611 1 993 . 1 1 100 100 LEU HD12 H 1 0.56 0.02 . 1 . . . . 100 LEU HD1 . 6611 1 994 . 1 1 100 100 LEU HD13 H 1 0.56 0.02 . 1 . . . . 100 LEU HD1 . 6611 1 995 . 1 1 100 100 LEU HD21 H 1 0.33 0.02 . 1 . . . . 100 LEU HD2 . 6611 1 996 . 1 1 100 100 LEU HD22 H 1 0.33 0.02 . 1 . . . . 100 LEU HD2 . 6611 1 997 . 1 1 100 100 LEU HD23 H 1 0.33 0.02 . 1 . . . . 100 LEU HD2 . 6611 1 998 . 1 1 100 100 LEU CA C 13 53.5 0.2 . 1 . . . . 100 LEU CA . 6611 1 999 . 1 1 100 100 LEU CB C 13 45.3 0.2 . 1 . . . . 100 LEU CB . 6611 1 1000 . 1 1 100 100 LEU CG C 13 27.3 0.2 . 1 . . . . 100 LEU CG . 6611 1 1001 . 1 1 100 100 LEU CD1 C 13 23.9 0.2 . 1 . . . . 100 LEU CD1 . 6611 1 1002 . 1 1 100 100 LEU CD2 C 13 25.4 0.2 . 1 . . . . 100 LEU CD2 . 6611 1 1003 . 1 1 100 100 LEU N N 15 125.6 0.1 . 1 . . . . 100 LEU N . 6611 1 1004 . 1 1 101 101 GLU H H 1 8.29 0.02 . 1 . . . . 101 GLU H . 6611 1 1005 . 1 1 101 101 GLU HA H 1 4.80 0.02 . 1 . . . . 101 GLU HA . 6611 1 1006 . 1 1 101 101 GLU HB2 H 1 1.81 0.02 . 2 . . . . 101 GLU HB2 . 6611 1 1007 . 1 1 101 101 GLU HB3 H 1 1.97 0.02 . 2 . . . . 101 GLU HB3 . 6611 1 1008 . 1 1 101 101 GLU HG2 H 1 2.18 0.02 . 2 . . . . 101 GLU HG2 . 6611 1 1009 . 1 1 101 101 GLU CA C 13 55.2 0.2 . 1 . . . . 101 GLU CA . 6611 1 1010 . 1 1 101 101 GLU CB C 13 32.1 0.2 . 1 . . . . 101 GLU CB . 6611 1 1011 . 1 1 101 101 GLU CG C 13 37.7 0.2 . 1 . . . . 101 GLU CG . 6611 1 1012 . 1 1 101 101 GLU N N 15 121.6 0.1 . 1 . . . . 101 GLU N . 6611 1 1013 . 1 1 102 102 LYS H H 1 8.18 0.02 . 1 . . . . 102 LYS H . 6611 1 1014 . 1 1 102 102 LYS N N 15 122.7 0.10 . 1 . . . . 102 LYS N . 6611 1 1015 . 1 1 103 103 PRO HA H 1 4.32 0.02 . 1 . . . . 103 PRO HA . 6611 1 1016 . 1 1 103 103 PRO HB2 H 1 1.85 0.02 . 2 . . . . 103 PRO HB2 . 6611 1 1017 . 1 1 103 103 PRO HB3 H 1 2.11 0.02 . 2 . . . . 103 PRO HB3 . 6611 1 1018 . 1 1 103 103 PRO HG2 H 1 1.78 0.02 . 2 . . . . 103 PRO HG2 . 6611 1 1019 . 1 1 103 103 PRO HG3 H 1 1.91 0.02 . 2 . . . . 103 PRO HG3 . 6611 1 1020 . 1 1 103 103 PRO HD2 H 1 3.38 0.02 . 2 . . . . 103 PRO HD2 . 6611 1 1021 . 1 1 103 103 PRO HD3 H 1 3.57 0.02 . 2 . . . . 103 PRO HD3 . 6611 1 1022 . 1 1 103 103 PRO CA C 13 62.5 0.2 . 1 . . . . 103 PRO CA . 6611 1 1023 . 1 1 103 103 PRO CB C 13 34.1 0.2 . 1 . . . . 103 PRO CB . 6611 1 1024 . 1 1 103 103 PRO CG C 13 25.0 0.2 . 1 . . . . 103 PRO CG . 6611 1 1025 . 1 1 103 103 PRO CD C 13 50.5 0.2 . 1 . . . . 103 PRO CD . 6611 1 1026 . 1 1 104 104 PHE H H 1 7.31 0.02 . 1 . . . . 104 PHE H . 6611 1 1027 . 1 1 104 104 PHE HA H 1 5.14 0.02 . 1 . . . . 104 PHE HA . 6611 1 1028 . 1 1 104 104 PHE HB2 H 1 3.00 0.02 . 2 . . . . 104 PHE HB2 . 6611 1 1029 . 1 1 104 104 PHE HB3 H 1 3.18 0.02 . 2 . . . . 104 PHE HB3 . 6611 1 1030 . 1 1 104 104 PHE HD1 H 1 6.91 0.02 . 3 . . . . 104 PHE HD1 . 6611 1 1031 . 1 1 104 104 PHE HE1 H 1 6.75 0.02 . 3 . . . . 104 PHE HE1 . 6611 1 1032 . 1 1 104 104 PHE HZ H 1 6.67 0.02 . 1 . . . . 104 PHE HZ . 6611 1 1033 . 1 1 104 104 PHE CA C 13 53.7 0.20 . 1 . . . . 104 PHE CA . 6611 1 1034 . 1 1 104 104 PHE CB C 13 41.2 0.20 . 1 . . . . 104 PHE CB . 6611 1 1035 . 1 1 104 104 PHE N N 15 118.3 0.10 . 1 . . . . 104 PHE N . 6611 1 1036 . 1 1 105 105 SER H H 1 8.69 0.02 . 1 . . . . 105 SER H . 6611 1 1037 . 1 1 105 105 SER HA H 1 4.57 0.02 . 1 . . . . 105 SER HA . 6611 1 1038 . 1 1 105 105 SER HB2 H 1 3.94 0.02 . 2 . . . . 105 SER HB2 . 6611 1 1039 . 1 1 105 105 SER HB3 H 1 4.31 0.02 . 2 . . . . 105 SER HB3 . 6611 1 1040 . 1 1 105 105 SER CA C 13 56.9 0.2 . 1 . . . . 105 SER CA . 6611 1 1041 . 1 1 105 105 SER CB C 13 64.6 0.2 . 1 . . . . 105 SER CB . 6611 1 1042 . 1 1 105 105 SER N N 15 116.4 0.10 . 1 . . . . 105 SER N . 6611 1 1043 . 1 1 106 106 VAL H H 1 8.82 0.02 . 1 . . . . 106 VAL H . 6611 1 1044 . 1 1 106 106 VAL HA H 1 3.71 0.02 . 1 . . . . 106 VAL HA . 6611 1 1045 . 1 1 106 106 VAL HB H 1 2.05 0.02 . 1 . . . . 106 VAL HB . 6611 1 1046 . 1 1 106 106 VAL HG11 H 1 1.00 0.02 . 1 . . . . 106 VAL HG1 . 6611 1 1047 . 1 1 106 106 VAL HG12 H 1 1.00 0.02 . 1 . . . . 106 VAL HG1 . 6611 1 1048 . 1 1 106 106 VAL HG13 H 1 1.00 0.02 . 1 . . . . 106 VAL HG1 . 6611 1 1049 . 1 1 106 106 VAL HG21 H 1 1.04 0.02 . 1 . . . . 106 VAL HG2 . 6611 1 1050 . 1 1 106 106 VAL HG22 H 1 1.04 0.02 . 1 . . . . 106 VAL HG2 . 6611 1 1051 . 1 1 106 106 VAL HG23 H 1 1.04 0.02 . 1 . . . . 106 VAL HG2 . 6611 1 1052 . 1 1 106 106 VAL CA C 13 67.4 0.2 . 1 . . . . 106 VAL CA . 6611 1 1053 . 1 1 106 106 VAL CB C 13 31.8 0.2 . 1 . . . . 106 VAL CB . 6611 1 1054 . 1 1 106 106 VAL CG1 C 13 21.9 0.2 . 1 . . . . 106 VAL CG1 . 6611 1 1055 . 1 1 106 106 VAL CG2 C 13 22.9 0.2 . 1 . . . . 106 VAL CG2 . 6611 1 1056 . 1 1 106 106 VAL N N 15 127.5 0.10 . 1 . . . . 106 VAL N . 6611 1 1057 . 1 1 107 107 GLU H H 1 8.57 0.02 . 1 . . . . 107 GLU H . 6611 1 1058 . 1 1 107 107 GLU HA H 1 3.95 0.02 . 1 . . . . 107 GLU HA . 6611 1 1059 . 1 1 107 107 GLU HB2 H 1 2.02 0.02 . 2 . . . . 107 GLU HB2 . 6611 1 1060 . 1 1 107 107 GLU HB3 H 1 1.89 0.02 . 2 . . . . 107 GLU HB3 . 6611 1 1061 . 1 1 107 107 GLU HG2 H 1 2.23 0.02 . 2 . . . . 107 GLU HG2 . 6611 1 1062 . 1 1 107 107 GLU CA C 13 60.6 0.2 . 1 . . . . 107 GLU CA . 6611 1 1063 . 1 1 107 107 GLU CB C 13 29.6 0.2 . 1 . . . . 107 GLU CB . 6611 1 1064 . 1 1 107 107 GLU CG C 13 36.8 0.2 . 1 . . . . 107 GLU CG . 6611 1 1065 . 1 1 107 107 GLU N N 15 119.6 0.10 . 1 . . . . 107 GLU N . 6611 1 1066 . 1 1 108 108 ARG H H 1 7.76 0.02 . 1 . . . . 108 ARG H . 6611 1 1067 . 1 1 108 108 ARG HA H 1 3.99 0.02 . 1 . . . . 108 ARG HA . 6611 1 1068 . 1 1 108 108 ARG HB2 H 1 1.96 0.02 . 2 . . . . 108 ARG HB2 . 6611 1 1069 . 1 1 108 108 ARG HG2 H 1 1.59 0.02 . 2 . . . . 108 ARG HG2 . 6611 1 1070 . 1 1 108 108 ARG HD2 H 1 3.18 0.02 . 2 . . . . 108 ARG HD2 . 6611 1 1071 . 1 1 108 108 ARG CA C 13 59.0 0.20 . 1 . . . . 108 ARG CA . 6611 1 1072 . 1 1 108 108 ARG CB C 13 30.2 0.20 . 1 . . . . 108 ARG CB . 6611 1 1073 . 1 1 108 108 ARG CG C 13 27.3 0.20 . 1 . . . . 108 ARG CG . 6611 1 1074 . 1 1 108 108 ARG CD C 13 43.5 0.20 . 1 . . . . 108 ARG CD . 6611 1 1075 . 1 1 108 108 ARG N N 15 120.0 0.10 . 1 . . . . 108 ARG N . 6611 1 1076 . 1 1 109 109 PHE H H 1 8.27 0.02 . 1 . . . . 109 PHE H . 6611 1 1077 . 1 1 109 109 PHE HA H 1 3.77 0.02 . 1 . . . . 109 PHE HA . 6611 1 1078 . 1 1 109 109 PHE HB2 H 1 3.03 0.02 . 2 . . . . 109 PHE HB2 . 6611 1 1079 . 1 1 109 109 PHE HB3 H 1 3.29 0.02 . 2 . . . . 109 PHE HB3 . 6611 1 1080 . 1 1 109 109 PHE HD1 H 1 6.71 0.02 . 3 . . . . 109 PHE HD1 . 6611 1 1081 . 1 1 109 109 PHE HE1 H 1 6.87 0.02 . 3 . . . . 109 PHE HE1 . 6611 1 1082 . 1 1 109 109 PHE HZ H 1 6.79 0.02 . 1 . . . . 109 PHE HZ . 6611 1 1083 . 1 1 109 109 PHE CA C 13 62.1 0.20 . 1 . . . . 109 PHE CA . 6611 1 1084 . 1 1 109 109 PHE CB C 13 39.7 0.20 . 1 . . . . 109 PHE CB . 6611 1 1085 . 1 1 109 109 PHE N N 15 122.1 0.10 . 1 . . . . 109 PHE N . 6611 1 1086 . 1 1 110 110 LEU H H 1 8.83 0.02 . 1 . . . . 110 LEU H . 6611 1 1087 . 1 1 110 110 LEU HA H 1 3.61 0.02 . 1 . . . . 110 LEU HA . 6611 1 1088 . 1 1 110 110 LEU HB2 H 1 1.37 0.02 . 2 . . . . 110 LEU HB2 . 6611 1 1089 . 1 1 110 110 LEU HB3 H 1 1.85 0.02 . 2 . . . . 110 LEU HB3 . 6611 1 1090 . 1 1 110 110 LEU HG H 1 1.53 0.02 . 1 . . . . 110 LEU HG . 6611 1 1091 . 1 1 110 110 LEU HD11 H 1 0.84 0.02 . 1 . . . . 110 LEU HD1 . 6611 1 1092 . 1 1 110 110 LEU HD12 H 1 0.84 0.02 . 1 . . . . 110 LEU HD1 . 6611 1 1093 . 1 1 110 110 LEU HD13 H 1 0.84 0.02 . 1 . . . . 110 LEU HD1 . 6611 1 1094 . 1 1 110 110 LEU HD21 H 1 0.78 0.02 . 1 . . . . 110 LEU HD2 . 6611 1 1095 . 1 1 110 110 LEU HD22 H 1 0.78 0.02 . 1 . . . . 110 LEU HD2 . 6611 1 1096 . 1 1 110 110 LEU HD23 H 1 0.78 0.02 . 1 . . . . 110 LEU HD2 . 6611 1 1097 . 1 1 110 110 LEU CA C 13 58.1 0.2 . 1 . . . . 110 LEU CA . 6611 1 1098 . 1 1 110 110 LEU CB C 13 41.9 0.2 . 1 . . . . 110 LEU CB . 6611 1 1099 . 1 1 110 110 LEU CG C 13 27.3 0.2 . 1 . . . . 110 LEU CG . 6611 1 1100 . 1 1 110 110 LEU CD1 C 13 25.8 0.2 . 1 . . . . 110 LEU CD1 . 6611 1 1101 . 1 1 110 110 LEU CD2 C 13 22.5 0.2 . 1 . . . . 110 LEU CD2 . 6611 1 1102 . 1 1 110 110 LEU N N 15 118.7 0.1 . 1 . . . . 110 LEU N . 6611 1 1103 . 1 1 111 111 LEU H H 1 7.97 0.02 . 1 . . . . 111 LEU H . 6611 1 1104 . 1 1 111 111 LEU HA H 1 3.91 0.02 . 1 . . . . 111 LEU HA . 6611 1 1105 . 1 1 111 111 LEU HB2 H 1 1.51 0.02 . 2 . . . . 111 LEU HB2 . 6611 1 1106 . 1 1 111 111 LEU HB3 H 1 1.71 0.02 . 2 . . . . 111 LEU HB3 . 6611 1 1107 . 1 1 111 111 LEU HG H 1 1.49 0.02 . 1 . . . . 111 LEU HG . 6611 1 1108 . 1 1 111 111 LEU HD11 H 1 0.78 0.02 . 2 . . . . 111 LEU HD1 . 6611 1 1109 . 1 1 111 111 LEU HD12 H 1 0.78 0.02 . 2 . . . . 111 LEU HD1 . 6611 1 1110 . 1 1 111 111 LEU HD13 H 1 0.78 0.02 . 2 . . . . 111 LEU HD1 . 6611 1 1111 . 1 1 111 111 LEU HD21 H 1 0.78 0.02 . 2 . . . . 111 LEU HD2 . 6611 1 1112 . 1 1 111 111 LEU HD22 H 1 0.78 0.02 . 2 . . . . 111 LEU HD2 . 6611 1 1113 . 1 1 111 111 LEU HD23 H 1 0.78 0.02 . 2 . . . . 111 LEU HD2 . 6611 1 1114 . 1 1 111 111 LEU CA C 13 58.3 0.20 . 1 . . . . 111 LEU CA . 6611 1 1115 . 1 1 111 111 LEU CB C 13 42.2 0.2 . 1 . . . . 111 LEU CB . 6611 1 1116 . 1 1 111 111 LEU CG C 13 26.9 0.2 . 1 . . . . 111 LEU CG . 6611 1 1117 . 1 1 111 111 LEU CD1 C 13 24.5 0.2 . 1 . . . . 111 LEU CD1 . 6611 1 1118 . 1 1 111 111 LEU CD2 C 13 24.5 0.2 . 1 . . . . 111 LEU CD2 . 6611 1 1119 . 1 1 111 111 LEU N N 15 121.1 0.1 . 1 . . . . 111 LEU N . 6611 1 1120 . 1 1 112 112 THR H H 1 7.55 0.02 . 1 . . . . 112 THR H . 6611 1 1121 . 1 1 112 112 THR HA H 1 3.85 0.02 . 1 . . . . 112 THR HA . 6611 1 1122 . 1 1 112 112 THR HB H 1 4.08 0.02 . 1 . . . . 112 THR HB . 6611 1 1123 . 1 1 112 112 THR HG21 H 1 0.98 0.02 . 1 . . . . 112 THR HG2 . 6611 1 1124 . 1 1 112 112 THR HG22 H 1 0.98 0.02 . 1 . . . . 112 THR HG2 . 6611 1 1125 . 1 1 112 112 THR HG23 H 1 0.98 0.02 . 1 . . . . 112 THR HG2 . 6611 1 1126 . 1 1 112 112 THR CA C 13 67.6 0.20 . 1 . . . . 112 THR CA . 6611 1 1127 . 1 1 112 112 THR CB C 13 68.6 0.2 . 1 . . . . 112 THR CB . 6611 1 1128 . 1 1 112 112 THR CG2 C 13 22.0 0.2 . 1 . . . . 112 THR CG2 . 6611 1 1129 . 1 1 112 112 THR N N 15 116.3 0.1 . 1 . . . . 112 THR N . 6611 1 1130 . 1 1 113 113 ILE H H 1 7.52 0.02 . 1 . . . . 113 ILE H . 6611 1 1131 . 1 1 113 113 ILE HA H 1 3.29 0.02 . 1 . . . . 113 ILE HA . 6611 1 1132 . 1 1 113 113 ILE HB H 1 1.54 0.02 . 1 . . . . 113 ILE HB . 6611 1 1133 . 1 1 113 113 ILE HG12 H 1 0.46 0.02 . 2 . . . . 113 ILE HG12 . 6611 1 1134 . 1 1 113 113 ILE HG13 H 1 0.63 0.02 . 2 . . . . 113 ILE HG13 . 6611 1 1135 . 1 1 113 113 ILE HG21 H 1 0.26 0.02 . 1 . . . . 113 ILE HG2 . 6611 1 1136 . 1 1 113 113 ILE HG22 H 1 0.26 0.02 . 1 . . . . 113 ILE HG2 . 6611 1 1137 . 1 1 113 113 ILE HG23 H 1 0.26 0.02 . 1 . . . . 113 ILE HG2 . 6611 1 1138 . 1 1 113 113 ILE HD11 H 1 -0.02 0.02 . 1 . . . . 113 ILE HD1 . 6611 1 1139 . 1 1 113 113 ILE HD12 H 1 -0.02 0.02 . 1 . . . . 113 ILE HD1 . 6611 1 1140 . 1 1 113 113 ILE HD13 H 1 -0.02 0.02 . 1 . . . . 113 ILE HD1 . 6611 1 1141 . 1 1 113 113 ILE CA C 13 63.4 0.20 . 1 . . . . 113 ILE CA . 6611 1 1142 . 1 1 113 113 ILE CB C 13 36.1 0.20 . 1 . . . . 113 ILE CB . 6611 1 1143 . 1 1 113 113 ILE CG1 C 13 27.2 0.2 . 1 . . . . 113 ILE CG1 . 6611 1 1144 . 1 1 113 113 ILE CG2 C 13 17.1 0.2 . 1 . . . . 113 ILE CG2 . 6611 1 1145 . 1 1 113 113 ILE CD1 C 13 10.3 0.2 . 1 . . . . 113 ILE CD1 . 6611 1 1146 . 1 1 113 113 ILE N N 15 120.8 0.1 . 1 . . . . 113 ILE N . 6611 1 1147 . 1 1 114 114 LYS H H 1 7.94 0.02 . 1 . . . . 114 LYS H . 6611 1 1148 . 1 1 114 114 LYS HA H 1 3.97 0.02 . 1 . . . . 114 LYS HA . 6611 1 1149 . 1 1 114 114 LYS HB2 H 1 1.91 0.02 . 2 . . . . 114 LYS HB2 . 6611 1 1150 . 1 1 114 114 LYS HG2 H 1 1.35 0.02 . 2 . . . . 114 LYS HG2 . 6611 1 1151 . 1 1 114 114 LYS HD2 H 1 1.62 0.02 . 2 . . . . 114 LYS HD2 . 6611 1 1152 . 1 1 114 114 LYS HE2 H 1 2.93 0.02 . 2 . . . . 114 LYS HE2 . 6611 1 1153 . 1 1 114 114 LYS CA C 13 60.5 0.2 . 1 . . . . 114 LYS CA . 6611 1 1154 . 1 1 114 114 LYS CB C 13 32.6 0.2 . 1 . . . . 114 LYS CB . 6611 1 1155 . 1 1 114 114 LYS CG C 13 25.4 0.2 . 1 . . . . 114 LYS CG . 6611 1 1156 . 1 1 114 114 LYS CD C 13 30.0 0.2 . 1 . . . . 114 LYS CD . 6611 1 1157 . 1 1 114 114 LYS CE C 13 42.6 0.2 . 1 . . . . 114 LYS CE . 6611 1 1158 . 1 1 114 114 LYS N N 15 119.9 0.1 . 1 . . . . 114 LYS N . 6611 1 1159 . 1 1 115 115 HIS H H 1 8.11 0.02 . 1 . . . . 115 HIS H . 6611 1 1160 . 1 1 115 115 HIS HA H 1 4.43 0.02 . 1 . . . . 115 HIS HA . 6611 1 1161 . 1 1 115 115 HIS HB2 H 1 3.40 0.02 . 2 . . . . 115 HIS HB2 . 6611 1 1162 . 1 1 115 115 HIS CA C 13 58.3 0.20 . 1 . . . . 115 HIS CA . 6611 1 1163 . 1 1 115 115 HIS CB C 13 29.0 0.2 . 1 . . . . 115 HIS CB . 6611 1 1164 . 1 1 115 115 HIS N N 15 117.2 0.1 . 1 . . . . 115 HIS N . 6611 1 1165 . 1 1 116 116 ALA H H 1 8.12 0.02 . 1 . . . . 116 ALA H . 6611 1 1166 . 1 1 116 116 ALA HA H 1 3.58 0.02 . 1 . . . . 116 ALA HA . 6611 1 1167 . 1 1 116 116 ALA HB1 H 1 1.00 0.02 . 1 . . . . 116 ALA HB . 6611 1 1168 . 1 1 116 116 ALA HB2 H 1 1.00 0.02 . 1 . . . . 116 ALA HB . 6611 1 1169 . 1 1 116 116 ALA HB3 H 1 1.00 0.02 . 1 . . . . 116 ALA HB . 6611 1 1170 . 1 1 116 116 ALA CA C 13 55.2 0.20 . 1 . . . . 116 ALA CA . 6611 1 1171 . 1 1 116 116 ALA CB C 13 18.9 0.20 . 1 . . . . 116 ALA CB . 6611 1 1172 . 1 1 116 116 ALA N N 15 122.7 0.10 . 1 . . . . 116 ALA N . 6611 1 1173 . 1 1 117 117 PHE H H 1 7.69 0.02 . 1 . . . . 117 PHE H . 6611 1 1174 . 1 1 117 117 PHE HA H 1 4.22 0.02 . 1 . . . . 117 PHE HA . 6611 1 1175 . 1 1 117 117 PHE HB2 H 1 2.96 0.02 . 2 . . . . 117 PHE HB2 . 6611 1 1176 . 1 1 117 117 PHE HB3 H 1 3.26 0.02 . 2 . . . . 117 PHE HB3 . 6611 1 1177 . 1 1 117 117 PHE HD1 H 1 7.36 0.02 . 3 . . . . 117 PHE HD1 . 6611 1 1178 . 1 1 117 117 PHE HE1 H 1 6.88 0.02 . 3 . . . . 117 PHE HE1 . 6611 1 1179 . 1 1 117 117 PHE HZ H 1 7.05 0.02 . 1 . . . . 117 PHE HZ . 6611 1 1180 . 1 1 117 117 PHE CA C 13 61.6 0.2 . 1 . . . . 117 PHE CA . 6611 1 1181 . 1 1 117 117 PHE CB C 13 40.4 0.2 . 1 . . . . 117 PHE CB . 6611 1 1182 . 1 1 117 117 PHE N N 15 114.2 0.1 . 1 . . . . 117 PHE N . 6611 1 1183 . 1 1 118 118 GLU H H 1 7.89 0.02 . 1 . . . . 118 GLU H . 6611 1 1184 . 1 1 118 118 GLU HA H 1 4.12 0.02 . 1 . . . . 118 GLU HA . 6611 1 1185 . 1 1 118 118 GLU HB2 H 1 2.06 0.02 . 2 . . . . 118 GLU HB2 . 6611 1 1186 . 1 1 118 118 GLU HB3 H 1 2.15 0.02 . 2 . . . . 118 GLU HB3 . 6611 1 1187 . 1 1 118 118 GLU HG2 H 1 2.27 0.02 . 2 . . . . 118 GLU HG2 . 6611 1 1188 . 1 1 118 118 GLU HG3 H 1 2.46 0.02 . 2 . . . . 118 GLU HG3 . 6611 1 1189 . 1 1 118 118 GLU CA C 13 58.5 0.2 . 1 . . . . 118 GLU CA . 6611 1 1190 . 1 1 118 118 GLU CB C 13 30.0 0.2 . 1 . . . . 118 GLU CB . 6611 1 1191 . 1 1 118 118 GLU CG C 13 36.9 0.2 . 1 . . . . 118 GLU CG . 6611 1 1192 . 1 1 118 118 GLU N N 15 119.7 0.1 . 1 . . . . 118 GLU N . 6611 1 1193 . 1 1 119 119 GLU H H 1 7.92 0.02 . 1 . . . . 119 GLU H . 6611 1 1194 . 1 1 119 119 GLU HA H 1 4.13 0.02 . 1 . . . . 119 GLU HA . 6611 1 1195 . 1 1 119 119 GLU HB2 H 1 1.79 0.02 . 2 . . . . 119 GLU HB2 . 6611 1 1196 . 1 1 119 119 GLU HG2 H 1 2.06 0.02 . 2 . . . . 119 GLU HG2 . 6611 1 1197 . 1 1 119 119 GLU CA C 13 57.6 0.2 . 1 . . . . 119 GLU CA . 6611 1 1198 . 1 1 119 119 GLU CB C 13 30.3 0.2 . 1 . . . . 119 GLU CB . 6611 1 1199 . 1 1 119 119 GLU CG C 13 36.4 0.2 . 1 . . . . 119 GLU CG . 6611 1 1200 . 1 1 119 119 GLU N N 15 118.8 0.1 . 1 . . . . 119 GLU N . 6611 1 1201 . 1 1 120 120 TYR H H 1 7.63 0.02 . 1 . . . . 120 TYR H . 6611 1 1202 . 1 1 120 120 TYR HA H 1 4.52 0.02 . 1 . . . . 120 TYR HA . 6611 1 1203 . 1 1 120 120 TYR HB2 H 1 2.83 0.02 . 2 . . . . 120 TYR HB2 . 6611 1 1204 . 1 1 120 120 TYR HB3 H 1 3.12 0.02 . 2 . . . . 120 TYR HB3 . 6611 1 1205 . 1 1 120 120 TYR HD1 H 1 7.09 0.02 . 3 . . . . 120 TYR HD1 . 6611 1 1206 . 1 1 120 120 TYR HE1 H 1 6.73 0.02 . 3 . . . . 120 TYR HE1 . 6611 1 1207 . 1 1 120 120 TYR CA C 13 58.5 0.2 . 1 . . . . 120 TYR CA . 6611 1 1208 . 1 1 120 120 TYR CB C 13 39.3 0.2 . 1 . . . . 120 TYR CB . 6611 1 1209 . 1 1 120 120 TYR N N 15 119.3 0.10 . 1 . . . . 120 TYR N . 6611 1 1210 . 1 1 121 121 SER H H 1 7.48 0.02 . 1 . . . . 121 SER H . 6611 1 1211 . 1 1 121 121 SER HA H 1 4.19 0.02 . 1 . . . . 121 SER HA . 6611 1 1212 . 1 1 121 121 SER HB2 H 1 3.80 0.02 . 2 . . . . 121 SER HB2 . 6611 1 1213 . 1 1 121 121 SER CA C 13 60.1 0.2 . 1 . . . . 121 SER CA . 6611 1 1214 . 1 1 121 121 SER CB C 13 65.0 0.2 . 1 . . . . 121 SER CB . 6611 1 1215 . 1 1 121 121 SER N N 15 122.4 0.1 . 1 . . . . 121 SER N . 6611 1 stop_ save_