data_16163 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16163 _Entry.Title ; NMR structure of the N-terminal domain of kindlin1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-09 _Entry.Accession_date 2009-02-09 _Entry.Last_release_date 2009-12-01 _Entry.Original_release_date 2009-12-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Benjamin Goult . T. . 16163 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16163 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 442 16163 '15N chemical shifts' 118 16163 '1H chemical shifts' 720 16163 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 . . 2009-12-01 2009-02-09 original author . 16163 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16163 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19804783 _Citation.Full_citation . _Citation.Title 'The structure of the N-terminus of kindlin-1: a domain important for alphaiibbeta3 integrin activation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 394 _Citation.Journal_issue 5 _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 944 _Citation.Page_last 956 _Citation.Year 2009 _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 Benjamin Goult . T. . 16163 1 2 Mohamed Bouaouina . . . 16163 1 3 David Harburger . S. . 16163 1 4 Neil Bate . . . 16163 1 5 Bipin Patel . . . 16163 1 6 Nicholas Anthis . J. . 16163 1 7 Iain Campbell . D. . 16163 1 8 David Calderwood . A. . 16163 1 9 Igor Barsukov . L. . 16163 1 10 Gordon Roberts . C. . 16163 1 11 David Critchley . R. . 16163 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID adhesion 16163 1 ilk 16163 1 integrin 16163 1 kindlin 16163 1 migfilin 16163 1 nmr 16163 1 talin 16163 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16163 _Assembly.ID 1 _Assembly.Name F0 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11655.2 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 F0 1 $F0 A . yes native no no . . . 16163 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F0 _Entity.Sf_category entity _Entity.Sf_framecode F0 _Entity.Entry_ID 16163 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name F0 _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 ; GIDPFTMLSSGDLTSASWEL VVRVDHANGEQQTEITLRVS GDLHIGGVMLKLVEQMNIAQ DWSDYALWWEQKRCWLLKTH WTLDKCGVQADANLLFTPQH KM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues -5 to 0 represent a non-native affinity tag' _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'F0 sub-domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KMC . "Solution Structure Of The N-Terminal Domain Of Kindlin-1" . . . . . 100.00 102 100.00 100.00 5.77e-68 . . . . 16163 1 2 no DBJ BAC34417 . "unnamed protein product [Mus musculus]" . . . . . 54.90 637 100.00 100.00 4.35e-32 . . . . 16163 1 3 no GB EDL28367 . "mCG128672, isoform CRA_a [Mus musculus]" . . . . . 94.12 677 100.00 100.00 1.13e-59 . . . . 16163 1 4 no GB EDL28368 . "mCG128672, isoform CRA_b [Mus musculus]" . . . . . 94.12 352 100.00 100.00 1.15e-61 . . . . 16163 1 5 no REF NP_932146 . "fermitin family homolog 1 [Mus musculus]" . . . . . 94.12 677 100.00 100.00 1.25e-59 . . . . 16163 1 6 no SP P59113 . "RecName: Full=Fermitin family homolog 1; AltName: Full=Kindlin-1; AltName: Full=Unc-112-related protein 1" . . . . . 94.12 677 100.00 100.00 1.25e-59 . . . . 16163 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16163 1 2 . ILE . 16163 1 3 . ASP . 16163 1 4 . PRO . 16163 1 5 . PHE . 16163 1 6 . THR . 16163 1 7 . MET . 16163 1 8 . LEU . 16163 1 9 . SER . 16163 1 10 . SER . 16163 1 11 . GLY . 16163 1 12 . ASP . 16163 1 13 . LEU . 16163 1 14 . THR . 16163 1 15 . SER . 16163 1 16 . ALA . 16163 1 17 . SER . 16163 1 18 . TRP . 16163 1 19 . GLU . 16163 1 20 . LEU . 16163 1 21 . VAL . 16163 1 22 . VAL . 16163 1 23 . ARG . 16163 1 24 . VAL . 16163 1 25 . ASP . 16163 1 26 . HIS . 16163 1 27 . ALA . 16163 1 28 . ASN . 16163 1 29 . GLY . 16163 1 30 . GLU . 16163 1 31 . GLN . 16163 1 32 . GLN . 16163 1 33 . THR . 16163 1 34 . GLU . 16163 1 35 . ILE . 16163 1 36 . THR . 16163 1 37 . LEU . 16163 1 38 . ARG . 16163 1 39 . VAL . 16163 1 40 . SER . 16163 1 41 . GLY . 16163 1 42 . ASP . 16163 1 43 . LEU . 16163 1 44 . HIS . 16163 1 45 . ILE . 16163 1 46 . GLY . 16163 1 47 . GLY . 16163 1 48 . VAL . 16163 1 49 . MET . 16163 1 50 . LEU . 16163 1 51 . LYS . 16163 1 52 . LEU . 16163 1 53 . VAL . 16163 1 54 . GLU . 16163 1 55 . GLN . 16163 1 56 . MET . 16163 1 57 . ASN . 16163 1 58 . ILE . 16163 1 59 . ALA . 16163 1 60 . GLN . 16163 1 61 . ASP . 16163 1 62 . TRP . 16163 1 63 . SER . 16163 1 64 . ASP . 16163 1 65 . TYR . 16163 1 66 . ALA . 16163 1 67 . LEU . 16163 1 68 . TRP . 16163 1 69 . TRP . 16163 1 70 . GLU . 16163 1 71 . GLN . 16163 1 72 . LYS . 16163 1 73 . ARG . 16163 1 74 . CYS . 16163 1 75 . TRP . 16163 1 76 . LEU . 16163 1 77 . LEU . 16163 1 78 . LYS . 16163 1 79 . THR . 16163 1 80 . HIS . 16163 1 81 . TRP . 16163 1 82 . THR . 16163 1 83 . LEU . 16163 1 84 . ASP . 16163 1 85 . LYS . 16163 1 86 . CYS . 16163 1 87 . GLY . 16163 1 88 . VAL . 16163 1 89 . GLN . 16163 1 90 . ALA . 16163 1 91 . ASP . 16163 1 92 . ALA . 16163 1 93 . ASN . 16163 1 94 . LEU . 16163 1 95 . LEU . 16163 1 96 . PHE . 16163 1 97 . THR . 16163 1 98 . PRO . 16163 1 99 . GLN . 16163 1 100 . HIS . 16163 1 101 . LYS . 16163 1 102 . MET . 16163 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16163 1 . ILE 2 2 16163 1 . ASP 3 3 16163 1 . PRO 4 4 16163 1 . PHE 5 5 16163 1 . THR 6 6 16163 1 . MET 7 7 16163 1 . LEU 8 8 16163 1 . SER 9 9 16163 1 . SER 10 10 16163 1 . GLY 11 11 16163 1 . ASP 12 12 16163 1 . LEU 13 13 16163 1 . THR 14 14 16163 1 . SER 15 15 16163 1 . ALA 16 16 16163 1 . SER 17 17 16163 1 . TRP 18 18 16163 1 . GLU 19 19 16163 1 . LEU 20 20 16163 1 . VAL 21 21 16163 1 . VAL 22 22 16163 1 . ARG 23 23 16163 1 . VAL 24 24 16163 1 . ASP 25 25 16163 1 . HIS 26 26 16163 1 . ALA 27 27 16163 1 . ASN 28 28 16163 1 . GLY 29 29 16163 1 . GLU 30 30 16163 1 . GLN 31 31 16163 1 . GLN 32 32 16163 1 . THR 33 33 16163 1 . GLU 34 34 16163 1 . ILE 35 35 16163 1 . THR 36 36 16163 1 . LEU 37 37 16163 1 . ARG 38 38 16163 1 . VAL 39 39 16163 1 . SER 40 40 16163 1 . GLY 41 41 16163 1 . ASP 42 42 16163 1 . LEU 43 43 16163 1 . HIS 44 44 16163 1 . ILE 45 45 16163 1 . GLY 46 46 16163 1 . GLY 47 47 16163 1 . VAL 48 48 16163 1 . MET 49 49 16163 1 . LEU 50 50 16163 1 . LYS 51 51 16163 1 . LEU 52 52 16163 1 . VAL 53 53 16163 1 . GLU 54 54 16163 1 . GLN 55 55 16163 1 . MET 56 56 16163 1 . ASN 57 57 16163 1 . ILE 58 58 16163 1 . ALA 59 59 16163 1 . GLN 60 60 16163 1 . ASP 61 61 16163 1 . TRP 62 62 16163 1 . SER 63 63 16163 1 . ASP 64 64 16163 1 . TYR 65 65 16163 1 . ALA 66 66 16163 1 . LEU 67 67 16163 1 . TRP 68 68 16163 1 . TRP 69 69 16163 1 . GLU 70 70 16163 1 . GLN 71 71 16163 1 . LYS 72 72 16163 1 . ARG 73 73 16163 1 . CYS 74 74 16163 1 . TRP 75 75 16163 1 . LEU 76 76 16163 1 . LEU 77 77 16163 1 . LYS 78 78 16163 1 . THR 79 79 16163 1 . HIS 80 80 16163 1 . TRP 81 81 16163 1 . THR 82 82 16163 1 . LEU 83 83 16163 1 . ASP 84 84 16163 1 . LYS 85 85 16163 1 . CYS 86 86 16163 1 . GLY 87 87 16163 1 . VAL 88 88 16163 1 . GLN 89 89 16163 1 . ALA 90 90 16163 1 . ASP 91 91 16163 1 . ALA 92 92 16163 1 . ASN 93 93 16163 1 . LEU 94 94 16163 1 . LEU 95 95 16163 1 . PHE 96 96 16163 1 . THR 97 97 16163 1 . PRO 98 98 16163 1 . GLN 99 99 16163 1 . HIS 100 100 16163 1 . LYS 101 101 16163 1 . MET 102 102 16163 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 16163 _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 $F0 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16163 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 16163 _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 $F0 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET-151 . . . . . . 16163 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 16163 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 F0 '[U-100% 15N]' . . 1 $F0 . . 200 . . uM 5 . . . 16163 1 2 DTT 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 16163 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.3 . . . 16163 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.3 . . . 16163 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16163 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16163 1 stop_ save_ save_double _Sample.Sf_category sample _Sample.Sf_framecode double _Sample.Entry_ID 16163 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 F0 '[U-100% 13C; U-100% 15N]' . . 1 $F0 . . 200 . . uM 5 . . . 16163 2 2 DTT 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 16163 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.3 . . . 16163 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.3 . . . 16163 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16163 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16163 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16163 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 0.1 mM 16163 1 pH 6.5 0.1 pH 16163 1 pressure 1 . atm 16163 1 temperature 298 0.1 K 16163 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16163 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16163 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16163 1 processing 16163 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16163 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16163 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16163 2 'structure solution' 16163 2 stop_ save_ save_CCPNMR_ANALYSIS _Software.Sf_category software _Software.Sf_framecode CCPNMR_ANALYSIS _Software.Entry_ID 16163 _Software.ID 3 _Software.Name ANALYSIS _Software.Version 1.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16163 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16163 3 'data analysis' 16163 3 'peak picking' 16163 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16163 _Software.ID 4 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16163 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16163 4 'structure solution' 16163 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16163 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16163 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16163 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16163 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 16163 1 2 spectrometer_2 Bruker DRX . 600 'with cryoprobe' . . 16163 1 3 spectrometer_3 Bruker DRX . 800 'with cryoprobe' . . 16163 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16163 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16163 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16163 1 3 '3D HNCO' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16163 1 4 '3D HNCA' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16163 1 5 '3D HNCACB' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16163 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16163 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16163 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $double isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16163 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16163 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16163 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16163 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16163 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16163 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16163 1 2 '2D 1H-13C HSQC' . . . 16163 1 5 '3D HNCACB' . . . 16163 1 7 '3D 1H-15N NOESY' . . . 16163 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CCPNMR_ANALYSIS . . 16163 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.882 0.02 . 1 . . . . 1 GLY HA2 . 16163 1 2 . 1 1 1 1 GLY HA3 H 1 3.882 0.02 . 1 . . . . 1 GLY HA3 . 16163 1 3 . 1 1 1 1 GLY C C 13 173.950 0.2 . 1 . . . . 1 GLY C . 16163 1 4 . 1 1 1 1 GLY CA C 13 45.289 0.2 . 1 . . . . 1 GLY CA . 16163 1 5 . 1 1 2 2 ILE H H 1 8.026 0.02 . 1 . . . . 2 ILE H . 16163 1 6 . 1 1 2 2 ILE HA H 1 4.518 0.02 . 1 . . . . 2 ILE HA . 16163 1 7 . 1 1 2 2 ILE HB H 1 1.720 0.02 . 1 . . . . 2 ILE HB . 16163 1 8 . 1 1 2 2 ILE HD11 H 1 0.776 0.02 . 1 . . . . 2 ILE HD11 . 16163 1 9 . 1 1 2 2 ILE HD12 H 1 0.776 0.02 . 1 . . . . 2 ILE HD12 . 16163 1 10 . 1 1 2 2 ILE HD13 H 1 0.776 0.02 . 1 . . . . 2 ILE HD13 . 16163 1 11 . 1 1 2 2 ILE HG12 H 1 1.076 0.02 . 1 . . . . 2 ILE HG12 . 16163 1 12 . 1 1 2 2 ILE HG13 H 1 1.344 0.02 . 1 . . . . 2 ILE HG13 . 16163 1 13 . 1 1 2 2 ILE HG21 H 1 0.816 0.02 . 1 . . . . 2 ILE HG21 . 16163 1 14 . 1 1 2 2 ILE HG22 H 1 0.816 0.02 . 1 . . . . 2 ILE HG22 . 16163 1 15 . 1 1 2 2 ILE HG23 H 1 0.816 0.02 . 1 . . . . 2 ILE HG23 . 16163 1 16 . 1 1 2 2 ILE CA C 13 54.315 0.2 . 1 . . . . 2 ILE CA . 16163 1 17 . 1 1 2 2 ILE CB C 13 41.381 0.2 . 1 . . . . 2 ILE CB . 16163 1 18 . 1 1 2 2 ILE CD1 C 13 13.038 0.2 . 1 . . . . 2 ILE CD1 . 16163 1 19 . 1 1 2 2 ILE CG1 C 13 27.041 0.002 . 1 . . . . 2 ILE CG1 . 16163 1 20 . 1 1 2 2 ILE CG2 C 13 17.391 0.2 . 1 . . . . 2 ILE CG2 . 16163 1 21 . 1 1 2 2 ILE N N 15 120.237 0.2 . 1 . . . . 2 ILE N . 16163 1 22 . 1 1 3 3 ASP H H 1 8.212 0.02 . 1 . . . . 3 ASP H . 16163 1 23 . 1 1 3 3 ASP HB2 H 1 2.628 0.02 . 1 . . . . 3 ASP HB2 . 16163 1 24 . 1 1 3 3 ASP HB3 H 1 2.554 0.02 . 1 . . . . 3 ASP HB3 . 16163 1 25 . 1 1 3 3 ASP CB C 13 41.116 0.2 . 1 . . . . 3 ASP CB . 16163 1 26 . 1 1 3 3 ASP N N 15 126.816 0.2 . 1 . . . . 3 ASP N . 16163 1 27 . 1 1 4 4 PRO HA H 1 3.818 0.02 . 1 . . . . 4 PRO HA . 16163 1 28 . 1 1 4 4 PRO C C 13 176.930 0.2 . 1 . . . . 4 PRO C . 16163 1 29 . 1 1 4 4 PRO CA C 13 63.589 0.2 . 1 . . . . 4 PRO CA . 16163 1 30 . 1 1 5 5 PHE H H 1 8.214 0.02 . 1 . . . . 5 PHE H . 16163 1 31 . 1 1 5 5 PHE HA H 1 4.534 0.02 . 1 . . . . 5 PHE HA . 16163 1 32 . 1 1 5 5 PHE HB3 H 1 1.754 0.02 . 1 . . . . 5 PHE HB3 . 16163 1 33 . 1 1 5 5 PHE C C 13 176.204 0.2 . 1 . . . . 5 PHE C . 16163 1 34 . 1 1 5 5 PHE CA C 13 58.089 0.2 . 1 . . . . 5 PHE CA . 16163 1 35 . 1 1 5 5 PHE CB C 13 38.893 0.2 . 1 . . . . 5 PHE CB . 16163 1 36 . 1 1 5 5 PHE N N 15 118.317 0.2 . 1 . . . . 5 PHE N . 16163 1 37 . 1 1 6 6 THR H H 1 7.789 0.02 . 1 . . . . 6 THR H . 16163 1 38 . 1 1 6 6 THR HA H 1 4.268 0.02 . 1 . . . . 6 THR HA . 16163 1 39 . 1 1 6 6 THR HB H 1 4.174 0.02 . 1 . . . . 6 THR HB . 16163 1 40 . 1 1 6 6 THR HG21 H 1 1.127 0.02 . 1 . . . . 6 THR HG21 . 16163 1 41 . 1 1 6 6 THR HG22 H 1 1.127 0.02 . 1 . . . . 6 THR HG22 . 16163 1 42 . 1 1 6 6 THR HG23 H 1 1.127 0.02 . 1 . . . . 6 THR HG23 . 16163 1 43 . 1 1 6 6 THR C C 13 174.096 0.2 . 1 . . . . 6 THR C . 16163 1 44 . 1 1 6 6 THR CA C 13 62.228 0.2 . 1 . . . . 6 THR CA . 16163 1 45 . 1 1 6 6 THR CB C 13 69.842 0.2 . 1 . . . . 6 THR CB . 16163 1 46 . 1 1 6 6 THR CG2 C 13 21.468 0.2 . 1 . . . . 6 THR CG2 . 16163 1 47 . 1 1 6 6 THR N N 15 114.242 0.2 . 1 . . . . 6 THR N . 16163 1 48 . 1 1 7 7 MET H H 1 8.077 0.02 . 1 . . . . 7 MET H . 16163 1 49 . 1 1 7 7 MET HA H 1 4.721 0.02 . 1 . . . . 7 MET HA . 16163 1 50 . 1 1 7 7 MET CA C 13 55.836 0.2 . 1 . . . . 7 MET CA . 16163 1 51 . 1 1 7 7 MET N N 15 121.684 0.2 . 1 . . . . 7 MET N . 16163 1 52 . 1 1 8 8 LEU H H 1 8.043 0.02 . 1 . . . . 8 LEU H . 16163 1 53 . 1 1 8 8 LEU HA H 1 4.322 0.02 . 1 . . . . 8 LEU HA . 16163 1 54 . 1 1 8 8 LEU HD11 H 1 0.779 0.02 . 1 . . . . 8 LEU HD11 . 16163 1 55 . 1 1 8 8 LEU HD12 H 1 0.779 0.02 . 1 . . . . 8 LEU HD12 . 16163 1 56 . 1 1 8 8 LEU HD13 H 1 0.779 0.02 . 1 . . . . 8 LEU HD13 . 16163 1 57 . 1 1 8 8 LEU HD21 H 1 0.840 0.02 . 1 . . . . 8 LEU HD21 . 16163 1 58 . 1 1 8 8 LEU HD22 H 1 0.840 0.02 . 1 . . . . 8 LEU HD22 . 16163 1 59 . 1 1 8 8 LEU HD23 H 1 0.840 0.02 . 1 . . . . 8 LEU HD23 . 16163 1 60 . 1 1 8 8 LEU CA C 13 55.142 0.2 . 1 . . . . 8 LEU CA . 16163 1 61 . 1 1 8 8 LEU CD1 C 13 23.274 0.2 . 1 . . . . 8 LEU CD1 . 16163 1 62 . 1 1 8 8 LEU CD2 C 13 24.953 0.2 . 1 . . . . 8 LEU CD2 . 16163 1 63 . 1 1 8 8 LEU N N 15 122.622 0.2 . 1 . . . . 8 LEU N . 16163 1 64 . 1 1 9 9 SER H H 1 8.263 0.02 . 1 . . . . 9 SER H . 16163 1 65 . 1 1 9 9 SER HA H 1 4.318 0.02 . 1 . . . . 9 SER HA . 16163 1 66 . 1 1 9 9 SER HB2 H 1 3.788 0.02 . 1 . . . . 9 SER HB2 . 16163 1 67 . 1 1 9 9 SER HB3 H 1 3.788 0.02 . 1 . . . . 9 SER HB3 . 16163 1 68 . 1 1 9 9 SER CA C 13 58.256 0.2 . 1 . . . . 9 SER CA . 16163 1 69 . 1 1 9 9 SER CB C 13 63.851 0.2 . 1 . . . . 9 SER CB . 16163 1 70 . 1 1 9 9 SER N N 15 116.455 0.2 . 1 . . . . 9 SER N . 16163 1 71 . 1 1 10 10 SER H H 1 8.268 0.02 . 1 . . . . 10 SER H . 16163 1 72 . 1 1 10 10 SER HA H 1 4.418 0.02 . 1 . . . . 10 SER HA . 16163 1 73 . 1 1 10 10 SER HB2 H 1 3.815 0.02 . 1 . . . . 10 SER HB2 . 16163 1 74 . 1 1 10 10 SER HB3 H 1 3.815 0.02 . 1 . . . . 10 SER HB3 . 16163 1 75 . 1 1 10 10 SER C C 13 175.142 0.2 . 1 . . . . 10 SER C . 16163 1 76 . 1 1 10 10 SER CA C 13 58.684 0.2 . 1 . . . . 10 SER CA . 16163 1 77 . 1 1 10 10 SER CB C 13 63.935 0.2 . 1 . . . . 10 SER CB . 16163 1 78 . 1 1 10 10 SER N N 15 117.758 0.2 . 1 . . . . 10 SER N . 16163 1 79 . 1 1 11 11 GLY H H 1 8.300 0.02 . 1 . . . . 11 GLY H . 16163 1 80 . 1 1 11 11 GLY HA2 H 1 3.888 0.02 . 1 . . . . 11 GLY HA2 . 16163 1 81 . 1 1 11 11 GLY HA3 H 1 3.888 0.02 . 1 . . . . 11 GLY HA3 . 16163 1 82 . 1 1 11 11 GLY C C 13 176.844 0.2 . 1 . . . . 11 GLY C . 16163 1 83 . 1 1 11 11 GLY CA C 13 45.340 0.2 . 1 . . . . 11 GLY CA . 16163 1 84 . 1 1 11 11 GLY N N 15 110.621 0.2 . 1 . . . . 11 GLY N . 16163 1 85 . 1 1 12 12 ASP H H 1 8.095 0.02 . 1 . . . . 12 ASP H . 16163 1 86 . 1 1 12 12 ASP HA H 1 4.520 0.02 . 1 . . . . 12 ASP HA . 16163 1 87 . 1 1 12 12 ASP HB2 H 1 2.633 0.02 . 1 . . . . 12 ASP HB2 . 16163 1 88 . 1 1 12 12 ASP HB3 H 1 2.550 0.02 . 1 . . . . 12 ASP HB3 . 16163 1 89 . 1 1 12 12 ASP C C 13 176.422 0.2 . 1 . . . . 12 ASP C . 16163 1 90 . 1 1 12 12 ASP CA C 13 54.331 0.2 . 1 . . . . 12 ASP CA . 16163 1 91 . 1 1 12 12 ASP CB C 13 41.101 0.003 . 1 . . . . 12 ASP CB . 16163 1 92 . 1 1 12 12 ASP N N 15 120.276 0.2 . 1 . . . . 12 ASP N . 16163 1 93 . 1 1 13 13 LEU H H 1 8.259 0.002 . 1 . . . . 13 LEU H . 16163 1 94 . 1 1 13 13 LEU HA H 1 4.326 0.02 . 1 . . . . 13 LEU HA . 16163 1 95 . 1 1 13 13 LEU HB2 H 1 1.614 0.02 . 1 . . . . 13 LEU HB2 . 16163 1 96 . 1 1 13 13 LEU HB3 H 1 1.562 0.02 . 1 . . . . 13 LEU HB3 . 16163 1 97 . 1 1 13 13 LEU HD11 H 1 0.776 0.02 . 1 . . . . 13 LEU HD11 . 16163 1 98 . 1 1 13 13 LEU HD12 H 1 0.776 0.02 . 1 . . . . 13 LEU HD12 . 16163 1 99 . 1 1 13 13 LEU HD13 H 1 0.776 0.02 . 1 . . . . 13 LEU HD13 . 16163 1 100 . 1 1 13 13 LEU HD21 H 1 0.837 0.02 . 1 . . . . 13 LEU HD21 . 16163 1 101 . 1 1 13 13 LEU HD22 H 1 0.837 0.02 . 1 . . . . 13 LEU HD22 . 16163 1 102 . 1 1 13 13 LEU HD23 H 1 0.837 0.02 . 1 . . . . 13 LEU HD23 . 16163 1 103 . 1 1 13 13 LEU HG H 1 1.567 0.02 . 1 . . . . 13 LEU HG . 16163 1 104 . 1 1 13 13 LEU C C 13 177.829 0.2 . 1 . . . . 13 LEU C . 16163 1 105 . 1 1 13 13 LEU CA C 13 55.426 0.2 . 1 . . . . 13 LEU CA . 16163 1 106 . 1 1 13 13 LEU CB C 13 42.043 0.002 . 1 . . . . 13 LEU CB . 16163 1 107 . 1 1 13 13 LEU CD1 C 13 23.278 0.2 . 1 . . . . 13 LEU CD1 . 16163 1 108 . 1 1 13 13 LEU CD2 C 13 24.973 0.2 . 1 . . . . 13 LEU CD2 . 16163 1 109 . 1 1 13 13 LEU CG C 13 26.855 0.2 . 1 . . . . 13 LEU CG . 16163 1 110 . 1 1 13 13 LEU N N 15 122.645 0.195 . 1 . . . . 13 LEU N . 16163 1 111 . 1 1 14 14 THR H H 1 8.134 0.02 . 1 . . . . 14 THR H . 16163 1 112 . 1 1 14 14 THR HA H 1 4.265 0.02 . 1 . . . . 14 THR HA . 16163 1 113 . 1 1 14 14 THR HB H 1 4.178 0.02 . 1 . . . . 14 THR HB . 16163 1 114 . 1 1 14 14 THR HG21 H 1 1.129 0.02 . 1 . . . . 14 THR HG21 . 16163 1 115 . 1 1 14 14 THR HG22 H 1 1.129 0.02 . 1 . . . . 14 THR HG22 . 16163 1 116 . 1 1 14 14 THR HG23 H 1 1.129 0.02 . 1 . . . . 14 THR HG23 . 16163 1 117 . 1 1 14 14 THR C C 13 174.821 0.2 . 1 . . . . 14 THR C . 16163 1 118 . 1 1 14 14 THR CA C 13 62.228 0.2 . 1 . . . . 14 THR CA . 16163 1 119 . 1 1 14 14 THR CB C 13 69.762 0.2 . 1 . . . . 14 THR CB . 16163 1 120 . 1 1 14 14 THR CG2 C 13 21.516 0.2 . 1 . . . . 14 THR CG2 . 16163 1 121 . 1 1 14 14 THR N N 15 114.338 0.2 . 1 . . . . 14 THR N . 16163 1 122 . 1 1 15 15 SER H H 1 8.181 0.02 . 1 . . . . 15 SER H . 16163 1 123 . 1 1 15 15 SER HA H 1 4.429 0.02 . 1 . . . . 15 SER HA . 16163 1 124 . 1 1 15 15 SER HB2 H 1 3.843 0.02 . 1 . . . . 15 SER HB2 . 16163 1 125 . 1 1 15 15 SER HB3 H 1 3.843 0.02 . 1 . . . . 15 SER HB3 . 16163 1 126 . 1 1 15 15 SER C C 13 174.213 0.2 . 1 . . . . 15 SER C . 16163 1 127 . 1 1 15 15 SER CA C 13 58.321 0.2 . 1 . . . . 15 SER CA . 16163 1 128 . 1 1 15 15 SER CB C 13 63.826 0.2 . 1 . . . . 15 SER CB . 16163 1 129 . 1 1 15 15 SER N N 15 117.846 0.2 . 1 . . . . 15 SER N . 16163 1 130 . 1 1 16 16 ALA H H 1 8.284 0.02 . 1 . . . . 16 ALA H . 16163 1 131 . 1 1 16 16 ALA HA H 1 4.395 0.02 . 1 . . . . 16 ALA HA . 16163 1 132 . 1 1 16 16 ALA HB1 H 1 1.442 0.02 . 1 . . . . 16 ALA HB1 . 16163 1 133 . 1 1 16 16 ALA HB2 H 1 1.442 0.02 . 1 . . . . 16 ALA HB2 . 16163 1 134 . 1 1 16 16 ALA HB3 H 1 1.442 0.02 . 1 . . . . 16 ALA HB3 . 16163 1 135 . 1 1 16 16 ALA C C 13 177.160 0.2 . 1 . . . . 16 ALA C . 16163 1 136 . 1 1 16 16 ALA CA C 13 52.623 0.2 . 1 . . . . 16 ALA CA . 16163 1 137 . 1 1 16 16 ALA CB C 13 19.390 0.2 . 1 . . . . 16 ALA CB . 16163 1 138 . 1 1 16 16 ALA N N 15 126.207 0.2 . 1 . . . . 16 ALA N . 16163 1 139 . 1 1 17 17 SER H H 1 8.035 0.02 . 1 . . . . 17 SER H . 16163 1 140 . 1 1 17 17 SER HA H 1 4.891 0.02 . 1 . . . . 17 SER HA . 16163 1 141 . 1 1 17 17 SER HB2 H 1 3.637 0.02 . 1 . . . . 17 SER HB2 . 16163 1 142 . 1 1 17 17 SER HB3 H 1 3.637 0.02 . 1 . . . . 17 SER HB3 . 16163 1 143 . 1 1 17 17 SER C C 13 173.472 0.2 . 1 . . . . 17 SER C . 16163 1 144 . 1 1 17 17 SER CA C 13 57.547 0.2 . 1 . . . . 17 SER CA . 16163 1 145 . 1 1 17 17 SER CB C 13 65.420 0.2 . 1 . . . . 17 SER CB . 16163 1 146 . 1 1 17 17 SER N N 15 114.521 0.2 . 1 . . . . 17 SER N . 16163 1 147 . 1 1 18 18 TRP H H 1 8.523 0.02 . 1 . . . . 18 TRP H . 16163 1 148 . 1 1 18 18 TRP HA H 1 4.787 0.02 . 1 . . . . 18 TRP HA . 16163 1 149 . 1 1 18 18 TRP HB2 H 1 3.230 0.02 . 1 . . . . 18 TRP HB2 . 16163 1 150 . 1 1 18 18 TRP HB3 H 1 3.371 0.02 . 1 . . . . 18 TRP HB3 . 16163 1 151 . 1 1 18 18 TRP HD1 H 1 6.930 0.02 . 1 . . . . 18 TRP HD1 . 16163 1 152 . 1 1 18 18 TRP HE1 H 1 9.481 0.02 . 1 . . . . 18 TRP HE1 . 16163 1 153 . 1 1 18 18 TRP HE3 H 1 7.214 0.02 . 1 . . . . 18 TRP HE3 . 16163 1 154 . 1 1 18 18 TRP HH2 H 1 6.592 0.02 . 1 . . . . 18 TRP HH2 . 16163 1 155 . 1 1 18 18 TRP HZ2 H 1 6.999 0.02 . 1 . . . . 18 TRP HZ2 . 16163 1 156 . 1 1 18 18 TRP HZ3 H 1 6.609 0.02 . 1 . . . . 18 TRP HZ3 . 16163 1 157 . 1 1 18 18 TRP C C 13 173.910 0.2 . 1 . . . . 18 TRP C . 16163 1 158 . 1 1 18 18 TRP CA C 13 55.331 0.2 . 1 . . . . 18 TRP CA . 16163 1 159 . 1 1 18 18 TRP CB C 13 30.044 0.2 . 1 . . . . 18 TRP CB . 16163 1 160 . 1 1 18 18 TRP CD1 C 13 129.289 0.2 . 1 . . . . 18 TRP CD1 . 16163 1 161 . 1 1 18 18 TRP CE3 C 13 121.191 0.2 . 1 . . . . 18 TRP CE3 . 16163 1 162 . 1 1 18 18 TRP CH2 C 13 122.038 0.2 . 1 . . . . 18 TRP CH2 . 16163 1 163 . 1 1 18 18 TRP CZ2 C 13 114.113 0.2 . 1 . . . . 18 TRP CZ2 . 16163 1 164 . 1 1 18 18 TRP CZ3 C 13 124.635 0.2 . 1 . . . . 18 TRP CZ3 . 16163 1 165 . 1 1 18 18 TRP N N 15 120.348 0.2 . 1 . . . . 18 TRP N . 16163 1 166 . 1 1 18 18 TRP NE1 N 15 128.270 0.2 . 1 . . . . 18 TRP NE1 . 16163 1 167 . 1 1 19 19 GLU H H 1 8.542 0.02 . 1 . . . . 19 GLU H . 16163 1 168 . 1 1 19 19 GLU HA H 1 4.957 0.02 . 1 . . . . 19 GLU HA . 16163 1 169 . 1 1 19 19 GLU HB2 H 1 1.885 0.02 . 1 . . . . 19 GLU HB2 . 16163 1 170 . 1 1 19 19 GLU HB3 H 1 1.625 0.02 . 1 . . . . 19 GLU HB3 . 16163 1 171 . 1 1 19 19 GLU HG2 H 1 2.132 0.02 . 1 . . . . 19 GLU HG2 . 16163 1 172 . 1 1 19 19 GLU HG3 H 1 1.854 0.02 . 1 . . . . 19 GLU HG3 . 16163 1 173 . 1 1 19 19 GLU C C 13 175.089 0.2 . 1 . . . . 19 GLU C . 16163 1 174 . 1 1 19 19 GLU CA C 13 55.735 0.2 . 1 . . . . 19 GLU CA . 16163 1 175 . 1 1 19 19 GLU CB C 13 31.683 0.2 . 1 . . . . 19 GLU CB . 16163 1 176 . 1 1 19 19 GLU CG C 13 37.400 0.001 . 1 . . . . 19 GLU CG . 16163 1 177 . 1 1 19 19 GLU N N 15 117.964 0.2 . 1 . . . . 19 GLU N . 16163 1 178 . 1 1 20 20 LEU H H 1 8.813 0.02 . 1 . . . . 20 LEU H . 16163 1 179 . 1 1 20 20 LEU HA H 1 4.794 0.02 . 1 . . . . 20 LEU HA . 16163 1 180 . 1 1 20 20 LEU HB2 H 1 1.155 0.02 . 1 . . . . 20 LEU HB2 . 16163 1 181 . 1 1 20 20 LEU HB3 H 1 1.452 0.02 . 1 . . . . 20 LEU HB3 . 16163 1 182 . 1 1 20 20 LEU HD11 H 1 0.811 0.02 . 1 . . . . 20 LEU HD11 . 16163 1 183 . 1 1 20 20 LEU HD12 H 1 0.811 0.02 . 1 . . . . 20 LEU HD12 . 16163 1 184 . 1 1 20 20 LEU HD13 H 1 0.811 0.02 . 1 . . . . 20 LEU HD13 . 16163 1 185 . 1 1 20 20 LEU HD21 H 1 0.573 0.02 . 1 . . . . 20 LEU HD21 . 16163 1 186 . 1 1 20 20 LEU HD22 H 1 0.573 0.02 . 1 . . . . 20 LEU HD22 . 16163 1 187 . 1 1 20 20 LEU HD23 H 1 0.573 0.02 . 1 . . . . 20 LEU HD23 . 16163 1 188 . 1 1 20 20 LEU HG H 1 1.298 0.02 . 1 . . . . 20 LEU HG . 16163 1 189 . 1 1 20 20 LEU C C 13 174.656 0.2 . 1 . . . . 20 LEU C . 16163 1 190 . 1 1 20 20 LEU CA C 13 53.195 0.2 . 1 . . . . 20 LEU CA . 16163 1 191 . 1 1 20 20 LEU CB C 13 46.182 0.009 . 1 . . . . 20 LEU CB . 16163 1 192 . 1 1 20 20 LEU CD1 C 13 23.783 0.2 . 1 . . . . 20 LEU CD1 . 16163 1 193 . 1 1 20 20 LEU CD2 C 13 25.904 0.2 . 1 . . . . 20 LEU CD2 . 16163 1 194 . 1 1 20 20 LEU CG C 13 26.756 0.2 . 1 . . . . 20 LEU CG . 16163 1 195 . 1 1 20 20 LEU N N 15 125.925 0.2 . 1 . . . . 20 LEU N . 16163 1 196 . 1 1 21 21 VAL H H 1 8.827 0.02 . 1 . . . . 21 VAL H . 16163 1 197 . 1 1 21 21 VAL HA H 1 4.499 0.02 . 1 . . . . 21 VAL HA . 16163 1 198 . 1 1 21 21 VAL HB H 1 2.010 0.02 . 1 . . . . 21 VAL HB . 16163 1 199 . 1 1 21 21 VAL HG11 H 1 0.915 0.02 . 1 . . . . 21 VAL HG11 . 16163 1 200 . 1 1 21 21 VAL HG12 H 1 0.915 0.02 . 1 . . . . 21 VAL HG12 . 16163 1 201 . 1 1 21 21 VAL HG13 H 1 0.915 0.02 . 1 . . . . 21 VAL HG13 . 16163 1 202 . 1 1 21 21 VAL HG21 H 1 0.690 0.02 . 1 . . . . 21 VAL HG21 . 16163 1 203 . 1 1 21 21 VAL HG22 H 1 0.690 0.02 . 1 . . . . 21 VAL HG22 . 16163 1 204 . 1 1 21 21 VAL HG23 H 1 0.690 0.02 . 1 . . . . 21 VAL HG23 . 16163 1 205 . 1 1 21 21 VAL C C 13 176.157 0.2 . 1 . . . . 21 VAL C . 16163 1 206 . 1 1 21 21 VAL CA C 13 62.260 0.2 . 1 . . . . 21 VAL CA . 16163 1 207 . 1 1 21 21 VAL CB C 13 31.627 0.2 . 1 . . . . 21 VAL CB . 16163 1 208 . 1 1 21 21 VAL CG1 C 13 20.888 0.2 . 1 . . . . 21 VAL CG1 . 16163 1 209 . 1 1 21 21 VAL CG2 C 13 21.142 0.2 . 1 . . . . 21 VAL CG2 . 16163 1 210 . 1 1 21 21 VAL N N 15 127.297 0.2 . 1 . . . . 21 VAL N . 16163 1 211 . 1 1 22 22 VAL H H 1 9.178 0.02 . 1 . . . . 22 VAL H . 16163 1 212 . 1 1 22 22 VAL HA H 1 4.348 0.02 . 1 . . . . 22 VAL HA . 16163 1 213 . 1 1 22 22 VAL HB H 1 1.700 0.02 . 1 . . . . 22 VAL HB . 16163 1 214 . 1 1 22 22 VAL HG11 H 1 0.691 0.02 . 1 . . . . 22 VAL HG11 . 16163 1 215 . 1 1 22 22 VAL HG12 H 1 0.691 0.02 . 1 . . . . 22 VAL HG12 . 16163 1 216 . 1 1 22 22 VAL HG13 H 1 0.691 0.02 . 1 . . . . 22 VAL HG13 . 16163 1 217 . 1 1 22 22 VAL HG21 H 1 0.612 0.02 . 1 . . . . 22 VAL HG21 . 16163 1 218 . 1 1 22 22 VAL HG22 H 1 0.612 0.02 . 1 . . . . 22 VAL HG22 . 16163 1 219 . 1 1 22 22 VAL HG23 H 1 0.612 0.02 . 1 . . . . 22 VAL HG23 . 16163 1 220 . 1 1 22 22 VAL C C 13 175.253 0.2 . 1 . . . . 22 VAL C . 16163 1 221 . 1 1 22 22 VAL CA C 13 60.925 0.2 . 1 . . . . 22 VAL CA . 16163 1 222 . 1 1 22 22 VAL CB C 13 34.352 0.2 . 1 . . . . 22 VAL CB . 16163 1 223 . 1 1 22 22 VAL CG1 C 13 21.874 0.2 . 1 . . . . 22 VAL CG1 . 16163 1 224 . 1 1 22 22 VAL CG2 C 13 21.218 0.2 . 1 . . . . 22 VAL CG2 . 16163 1 225 . 1 1 22 22 VAL N N 15 129.937 0.2 . 1 . . . . 22 VAL N . 16163 1 226 . 1 1 23 23 ARG H H 1 8.104 0.02 . 1 . . . . 23 ARG H . 16163 1 227 . 1 1 23 23 ARG HA H 1 4.933 0.02 . 1 . . . . 23 ARG HA . 16163 1 228 . 1 1 23 23 ARG HB2 H 1 1.831 0.02 . 1 . . . . 23 ARG HB2 . 16163 1 229 . 1 1 23 23 ARG HB3 H 1 1.567 0.02 . 1 . . . . 23 ARG HB3 . 16163 1 230 . 1 1 23 23 ARG HD2 H 1 3.218 0.02 . 1 . . . . 23 ARG HD2 . 16163 1 231 . 1 1 23 23 ARG HD3 H 1 3.218 0.02 . 1 . . . . 23 ARG HD3 . 16163 1 232 . 1 1 23 23 ARG HE H 1 7.337 0.02 . 1 . . . . 23 ARG HE . 16163 1 233 . 1 1 23 23 ARG HG2 H 1 1.733 0.02 . 1 . . . . 23 ARG HG2 . 16163 1 234 . 1 1 23 23 ARG HG3 H 1 1.526 0.02 . 1 . . . . 23 ARG HG3 . 16163 1 235 . 1 1 23 23 ARG C C 13 174.950 0.2 . 1 . . . . 23 ARG C . 16163 1 236 . 1 1 23 23 ARG CA C 13 55.516 0.2 . 1 . . . . 23 ARG CA . 16163 1 237 . 1 1 23 23 ARG CB C 13 31.988 0.2 . 1 . . . . 23 ARG CB . 16163 1 238 . 1 1 23 23 ARG CD C 13 43.299 0.2 . 1 . . . . 23 ARG CD . 16163 1 239 . 1 1 23 23 ARG CG C 13 28.676 0.003 . 1 . . . . 23 ARG CG . 16163 1 240 . 1 1 23 23 ARG N N 15 125.848 0.2 . 1 . . . . 23 ARG N . 16163 1 241 . 1 1 23 23 ARG NE N 15 84.922 0.2 . 1 . . . . 23 ARG NE . 16163 1 242 . 1 1 24 24 VAL H H 1 9.325 0.02 . 1 . . . . 24 VAL H . 16163 1 243 . 1 1 24 24 VAL HA H 1 5.011 0.02 . 1 . . . . 24 VAL HA . 16163 1 244 . 1 1 24 24 VAL HB H 1 2.136 0.02 . 1 . . . . 24 VAL HB . 16163 1 245 . 1 1 24 24 VAL HG11 H 1 1.021 0.02 . 1 . . . . 24 VAL HG11 . 16163 1 246 . 1 1 24 24 VAL HG12 H 1 1.021 0.02 . 1 . . . . 24 VAL HG12 . 16163 1 247 . 1 1 24 24 VAL HG13 H 1 1.021 0.02 . 1 . . . . 24 VAL HG13 . 16163 1 248 . 1 1 24 24 VAL HG21 H 1 1.024 0.02 . 1 . . . . 24 VAL HG21 . 16163 1 249 . 1 1 24 24 VAL HG22 H 1 1.024 0.02 . 1 . . . . 24 VAL HG22 . 16163 1 250 . 1 1 24 24 VAL HG23 H 1 1.024 0.02 . 1 . . . . 24 VAL HG23 . 16163 1 251 . 1 1 24 24 VAL C C 13 175.449 0.2 . 1 . . . . 24 VAL C . 16163 1 252 . 1 1 24 24 VAL CA C 13 61.634 0.2 . 1 . . . . 24 VAL CA . 16163 1 253 . 1 1 24 24 VAL CB C 13 33.928 0.2 . 1 . . . . 24 VAL CB . 16163 1 254 . 1 1 24 24 VAL CG1 C 13 21.164 0.2 . 1 . . . . 24 VAL CG1 . 16163 1 255 . 1 1 24 24 VAL CG2 C 13 21.157 0.2 . 1 . . . . 24 VAL CG2 . 16163 1 256 . 1 1 24 24 VAL N N 15 124.136 0.2 . 1 . . . . 24 VAL N . 16163 1 257 . 1 1 25 25 ASP H H 1 8.414 0.02 . 1 . . . . 25 ASP H . 16163 1 258 . 1 1 25 25 ASP HA H 1 5.220 0.02 . 1 . . . . 25 ASP HA . 16163 1 259 . 1 1 25 25 ASP HB2 H 1 2.803 0.02 . 1 . . . . 25 ASP HB2 . 16163 1 260 . 1 1 25 25 ASP HB3 H 1 2.495 0.02 . 1 . . . . 25 ASP HB3 . 16163 1 261 . 1 1 25 25 ASP C C 13 176.671 0.2 . 1 . . . . 25 ASP C . 16163 1 262 . 1 1 25 25 ASP CA C 13 52.956 0.2 . 1 . . . . 25 ASP CA . 16163 1 263 . 1 1 25 25 ASP CB C 13 43.473 0.003 . 1 . . . . 25 ASP CB . 16163 1 264 . 1 1 25 25 ASP N N 15 126.172 0.2 . 1 . . . . 25 ASP N . 16163 1 265 . 1 1 26 26 HIS H H 1 9.152 0.02 . 1 . . . . 26 HIS H . 16163 1 266 . 1 1 26 26 HIS HA H 1 4.542 0.02 . 1 . . . . 26 HIS HA . 16163 1 267 . 1 1 26 26 HIS HB2 H 1 2.946 0.02 . 1 . . . . 26 HIS HB2 . 16163 1 268 . 1 1 26 26 HIS HB3 H 1 3.199 0.02 . 1 . . . . 26 HIS HB3 . 16163 1 269 . 1 1 26 26 HIS HD2 H 1 7.116 0.02 . 1 . . . . 26 HIS HD2 . 16163 1 270 . 1 1 26 26 HIS HE1 H 1 7.663 0.02 . 1 . . . . 26 HIS HE1 . 16163 1 271 . 1 1 26 26 HIS C C 13 174.917 0.2 . 1 . . . . 26 HIS C . 16163 1 272 . 1 1 26 26 HIS CA C 13 56.700 0.2 . 1 . . . . 26 HIS CA . 16163 1 273 . 1 1 26 26 HIS CB C 13 30.185 0.2 . 1 . . . . 26 HIS CB . 16163 1 274 . 1 1 26 26 HIS CD2 C 13 120.456 0.2 . 1 . . . . 26 HIS CD2 . 16163 1 275 . 1 1 26 26 HIS CE1 C 13 137.494 0.2 . 1 . . . . 26 HIS CE1 . 16163 1 276 . 1 1 26 26 HIS N N 15 124.402 0.2 . 1 . . . . 26 HIS N . 16163 1 277 . 1 1 27 27 ALA H H 1 9.121 0.02 . 1 . . . . 27 ALA H . 16163 1 278 . 1 1 27 27 ALA HA H 1 3.984 0.02 . 1 . . . . 27 ALA HA . 16163 1 279 . 1 1 27 27 ALA HB1 H 1 1.212 0.02 . 1 . . . . 27 ALA HB1 . 16163 1 280 . 1 1 27 27 ALA HB2 H 1 1.212 0.02 . 1 . . . . 27 ALA HB2 . 16163 1 281 . 1 1 27 27 ALA HB3 H 1 1.212 0.02 . 1 . . . . 27 ALA HB3 . 16163 1 282 . 1 1 27 27 ALA C C 13 176.927 0.2 . 1 . . . . 27 ALA C . 16163 1 283 . 1 1 27 27 ALA CA C 13 53.240 0.2 . 1 . . . . 27 ALA CA . 16163 1 284 . 1 1 27 27 ALA CB C 13 17.122 0.2 . 1 . . . . 27 ALA CB . 16163 1 285 . 1 1 27 27 ALA N N 15 121.895 0.2 . 1 . . . . 27 ALA N . 16163 1 286 . 1 1 28 28 ASN H H 1 8.140 0.02 . 1 . . . . 28 ASN H . 16163 1 287 . 1 1 28 28 ASN HA H 1 4.628 0.02 . 1 . . . . 28 ASN HA . 16163 1 288 . 1 1 28 28 ASN HB2 H 1 2.646 0.02 . 1 . . . . 28 ASN HB2 . 16163 1 289 . 1 1 28 28 ASN HB3 H 1 3.008 0.02 . 1 . . . . 28 ASN HB3 . 16163 1 290 . 1 1 28 28 ASN HD21 H 1 6.880 0.02 . 1 . . . . 28 ASN HD21 . 16163 1 291 . 1 1 28 28 ASN HD22 H 1 7.430 0.02 . 1 . . . . 28 ASN HD22 . 16163 1 292 . 1 1 28 28 ASN C C 13 176.389 0.2 . 1 . . . . 28 ASN C . 16163 1 293 . 1 1 28 28 ASN CA C 13 52.466 0.2 . 1 . . . . 28 ASN CA . 16163 1 294 . 1 1 28 28 ASN CB C 13 38.624 0.001 . 1 . . . . 28 ASN CB . 16163 1 295 . 1 1 28 28 ASN N N 15 114.287 0.2 . 1 . . . . 28 ASN N . 16163 1 296 . 1 1 28 28 ASN ND2 N 15 111.111 0.002 . 1 . . . . 28 ASN ND2 . 16163 1 297 . 1 1 29 29 GLY H H 1 8.254 0.02 . 1 . . . . 29 GLY H . 16163 1 298 . 1 1 29 29 GLY HA2 H 1 4.165 0.02 . 1 . . . . 29 GLY HA2 . 16163 1 299 . 1 1 29 29 GLY HA3 H 1 3.637 0.02 . 1 . . . . 29 GLY HA3 . 16163 1 300 . 1 1 29 29 GLY C C 13 174.848 0.2 . 1 . . . . 29 GLY C . 16163 1 301 . 1 1 29 29 GLY CA C 13 45.354 0.2 . 1 . . . . 29 GLY CA . 16163 1 302 . 1 1 29 29 GLY N N 15 108.650 0.2 . 1 . . . . 29 GLY N . 16163 1 303 . 1 1 30 30 GLU H H 1 7.860 0.02 . 1 . . . . 30 GLU H . 16163 1 304 . 1 1 30 30 GLU HA H 1 4.267 0.02 . 1 . . . . 30 GLU HA . 16163 1 305 . 1 1 30 30 GLU HB2 H 1 2.091 0.02 . 1 . . . . 30 GLU HB2 . 16163 1 306 . 1 1 30 30 GLU HB3 H 1 2.016 0.02 . 1 . . . . 30 GLU HB3 . 16163 1 307 . 1 1 30 30 GLU HG2 H 1 2.223 0.02 . 1 . . . . 30 GLU HG2 . 16163 1 308 . 1 1 30 30 GLU HG3 H 1 2.112 0.02 . 1 . . . . 30 GLU HG3 . 16163 1 309 . 1 1 30 30 GLU C C 13 176.802 0.2 . 1 . . . . 30 GLU C . 16163 1 310 . 1 1 30 30 GLU CA C 13 56.348 0.2 . 1 . . . . 30 GLU CA . 16163 1 311 . 1 1 30 30 GLU CB C 13 30.460 0.002 . 1 . . . . 30 GLU CB . 16163 1 312 . 1 1 30 30 GLU CG C 13 36.616 0.2 . 1 . . . . 30 GLU CG . 16163 1 313 . 1 1 30 30 GLU N N 15 119.375 0.2 . 1 . . . . 30 GLU N . 16163 1 314 . 1 1 31 31 GLN H H 1 8.280 0.02 . 1 . . . . 31 GLN H . 16163 1 315 . 1 1 31 31 GLN HA H 1 4.222 0.02 . 1 . . . . 31 GLN HA . 16163 1 316 . 1 1 31 31 GLN HB2 H 1 1.850 0.02 . 1 . . . . 31 GLN HB2 . 16163 1 317 . 1 1 31 31 GLN HB3 H 1 1.730 0.02 . 1 . . . . 31 GLN HB3 . 16163 1 318 . 1 1 31 31 GLN HE21 H 1 7.515 0.02 . 1 . . . . 31 GLN HE21 . 16163 1 319 . 1 1 31 31 GLN HE22 H 1 6.809 0.02 . 1 . . . . 31 GLN HE22 . 16163 1 320 . 1 1 31 31 GLN HG2 H 1 2.331 0.02 . 1 . . . . 31 GLN HG2 . 16163 1 321 . 1 1 31 31 GLN HG3 H 1 2.285 0.02 . 1 . . . . 31 GLN HG3 . 16163 1 322 . 1 1 31 31 GLN C C 13 175.995 0.2 . 1 . . . . 31 GLN C . 16163 1 323 . 1 1 31 31 GLN CA C 13 55.917 0.2 . 1 . . . . 31 GLN CA . 16163 1 324 . 1 1 31 31 GLN CB C 13 30.002 0.001 . 1 . . . . 31 GLN CB . 16163 1 325 . 1 1 31 31 GLN CG C 13 33.687 0.2 . 1 . . . . 31 GLN CG . 16163 1 326 . 1 1 31 31 GLN N N 15 120.036 0.2 . 1 . . . . 31 GLN N . 16163 1 327 . 1 1 31 31 GLN NE2 N 15 112.437 0.001 . 1 . . . . 31 GLN NE2 . 16163 1 328 . 1 1 32 32 GLN H H 1 7.520 0.02 . 1 . . . . 32 GLN H . 16163 1 329 . 1 1 32 32 GLN HA H 1 4.905 0.02 . 1 . . . . 32 GLN HA . 16163 1 330 . 1 1 32 32 GLN HB2 H 1 1.987 0.02 . 1 . . . . 32 GLN HB2 . 16163 1 331 . 1 1 32 32 GLN HB3 H 1 1.852 0.02 . 1 . . . . 32 GLN HB3 . 16163 1 332 . 1 1 32 32 GLN HE21 H 1 8.153 0.02 . 1 . . . . 32 GLN HE21 . 16163 1 333 . 1 1 32 32 GLN HE22 H 1 6.739 0.02 . 1 . . . . 32 GLN HE22 . 16163 1 334 . 1 1 32 32 GLN HG2 H 1 2.491 0.02 . 1 . . . . 32 GLN HG2 . 16163 1 335 . 1 1 32 32 GLN HG3 H 1 2.264 0.02 . 1 . . . . 32 GLN HG3 . 16163 1 336 . 1 1 32 32 GLN C C 13 176.112 0.2 . 1 . . . . 32 GLN C . 16163 1 337 . 1 1 32 32 GLN CA C 13 56.211 0.2 . 1 . . . . 32 GLN CA . 16163 1 338 . 1 1 32 32 GLN CB C 13 30.863 0.003 . 1 . . . . 32 GLN CB . 16163 1 339 . 1 1 32 32 GLN CG C 13 34.385 0.2 . 1 . . . . 32 GLN CG . 16163 1 340 . 1 1 32 32 GLN N N 15 123.146 0.2 . 1 . . . . 32 GLN N . 16163 1 341 . 1 1 32 32 GLN NE2 N 15 112.393 0.2 . 1 . . . . 32 GLN NE2 . 16163 1 342 . 1 1 33 33 THR H H 1 8.533 0.02 . 1 . . . . 33 THR H . 16163 1 343 . 1 1 33 33 THR HA H 1 4.621 0.02 . 1 . . . . 33 THR HA . 16163 1 344 . 1 1 33 33 THR HB H 1 4.011 0.02 . 1 . . . . 33 THR HB . 16163 1 345 . 1 1 33 33 THR HG21 H 1 1.210 0.02 . 1 . . . . 33 THR HG21 . 16163 1 346 . 1 1 33 33 THR HG22 H 1 1.210 0.02 . 1 . . . . 33 THR HG22 . 16163 1 347 . 1 1 33 33 THR HG23 H 1 1.210 0.02 . 1 . . . . 33 THR HG23 . 16163 1 348 . 1 1 33 33 THR C C 13 173.112 0.2 . 1 . . . . 33 THR C . 16163 1 349 . 1 1 33 33 THR CA C 13 61.506 0.2 . 1 . . . . 33 THR CA . 16163 1 350 . 1 1 33 33 THR CB C 13 71.605 0.2 . 1 . . . . 33 THR CB . 16163 1 351 . 1 1 33 33 THR CG2 C 13 21.801 0.2 . 1 . . . . 33 THR CG2 . 16163 1 352 . 1 1 33 33 THR N N 15 118.233 0.2 . 1 . . . . 33 THR N . 16163 1 353 . 1 1 34 34 GLU H H 1 8.711 0.02 . 1 . . . . 34 GLU H . 16163 1 354 . 1 1 34 34 GLU HA H 1 4.939 0.02 . 1 . . . . 34 GLU HA . 16163 1 355 . 1 1 34 34 GLU HB2 H 1 1.807 0.02 . 1 . . . . 34 GLU HB2 . 16163 1 356 . 1 1 34 34 GLU HB3 H 1 1.807 0.02 . 1 . . . . 34 GLU HB3 . 16163 1 357 . 1 1 34 34 GLU HG2 H 1 2.064 0.02 . 1 . . . . 34 GLU HG2 . 16163 1 358 . 1 1 34 34 GLU HG3 H 1 1.908 0.02 . 1 . . . . 34 GLU HG3 . 16163 1 359 . 1 1 34 34 GLU C C 13 175.108 0.2 . 1 . . . . 34 GLU C . 16163 1 360 . 1 1 34 34 GLU CA C 13 55.553 0.2 . 1 . . . . 34 GLU CA . 16163 1 361 . 1 1 34 34 GLU CB C 13 31.950 0.2 . 1 . . . . 34 GLU CB . 16163 1 362 . 1 1 34 34 GLU CG C 13 37.284 0.002 . 1 . . . . 34 GLU CG . 16163 1 363 . 1 1 34 34 GLU N N 15 124.692 0.2 . 1 . . . . 34 GLU N . 16163 1 364 . 1 1 35 35 ILE H H 1 9.115 0.02 . 1 . . . . 35 ILE H . 16163 1 365 . 1 1 35 35 ILE HA H 1 4.306 0.02 . 1 . . . . 35 ILE HA . 16163 1 366 . 1 1 35 35 ILE HB H 1 1.535 0.02 . 1 . . . . 35 ILE HB . 16163 1 367 . 1 1 35 35 ILE HD11 H 1 0.696 0.02 . 1 . . . . 35 ILE HD11 . 16163 1 368 . 1 1 35 35 ILE HD12 H 1 0.696 0.02 . 1 . . . . 35 ILE HD12 . 16163 1 369 . 1 1 35 35 ILE HD13 H 1 0.696 0.02 . 1 . . . . 35 ILE HD13 . 16163 1 370 . 1 1 35 35 ILE HG12 H 1 1.237 0.02 . 1 . . . . 35 ILE HG12 . 16163 1 371 . 1 1 35 35 ILE HG13 H 1 1.130 0.02 . 1 . . . . 35 ILE HG13 . 16163 1 372 . 1 1 35 35 ILE HG21 H 1 0.617 0.02 . 1 . . . . 35 ILE HG21 . 16163 1 373 . 1 1 35 35 ILE HG22 H 1 0.617 0.02 . 1 . . . . 35 ILE HG22 . 16163 1 374 . 1 1 35 35 ILE HG23 H 1 0.617 0.02 . 1 . . . . 35 ILE HG23 . 16163 1 375 . 1 1 35 35 ILE C C 13 174.282 0.2 . 1 . . . . 35 ILE C . 16163 1 376 . 1 1 35 35 ILE CA C 13 59.057 0.2 . 1 . . . . 35 ILE CA . 16163 1 377 . 1 1 35 35 ILE CB C 13 40.296 0.2 . 1 . . . . 35 ILE CB . 16163 1 378 . 1 1 35 35 ILE CD1 C 13 12.263 0.2 . 1 . . . . 35 ILE CD1 . 16163 1 379 . 1 1 35 35 ILE CG1 C 13 27.368 0.001 . 1 . . . . 35 ILE CG1 . 16163 1 380 . 1 1 35 35 ILE CG2 C 13 17.742 0.2 . 1 . . . . 35 ILE CG2 . 16163 1 381 . 1 1 35 35 ILE N N 15 127.113 0.2 . 1 . . . . 35 ILE N . 16163 1 382 . 1 1 36 36 THR H H 1 8.545 0.02 . 1 . . . . 36 THR H . 16163 1 383 . 1 1 36 36 THR HA H 1 4.772 0.02 . 1 . . . . 36 THR HA . 16163 1 384 . 1 1 36 36 THR HB H 1 3.876 0.02 . 1 . . . . 36 THR HB . 16163 1 385 . 1 1 36 36 THR HG21 H 1 0.924 0.02 . 1 . . . . 36 THR HG21 . 16163 1 386 . 1 1 36 36 THR HG22 H 1 0.924 0.02 . 1 . . . . 36 THR HG22 . 16163 1 387 . 1 1 36 36 THR HG23 H 1 0.924 0.02 . 1 . . . . 36 THR HG23 . 16163 1 388 . 1 1 36 36 THR C C 13 174.054 0.2 . 1 . . . . 36 THR C . 16163 1 389 . 1 1 36 36 THR CA C 13 62.257 0.2 . 1 . . . . 36 THR CA . 16163 1 390 . 1 1 36 36 THR CB C 13 68.948 0.2 . 1 . . . . 36 THR CB . 16163 1 391 . 1 1 36 36 THR CG2 C 13 21.345 0.2 . 1 . . . . 36 THR CG2 . 16163 1 392 . 1 1 36 36 THR N N 15 123.057 0.2 . 1 . . . . 36 THR N . 16163 1 393 . 1 1 37 37 LEU H H 1 9.161 0.02 . 1 . . . . 37 LEU H . 16163 1 394 . 1 1 37 37 LEU HA H 1 4.503 0.02 . 1 . . . . 37 LEU HA . 16163 1 395 . 1 1 37 37 LEU HB2 H 1 1.416 0.02 . 1 . . . . 37 LEU HB2 . 16163 1 396 . 1 1 37 37 LEU HB3 H 1 1.049 0.02 . 1 . . . . 37 LEU HB3 . 16163 1 397 . 1 1 37 37 LEU HD11 H 1 0.500 0.02 . 1 . . . . 37 LEU HD11 . 16163 1 398 . 1 1 37 37 LEU HD12 H 1 0.500 0.02 . 1 . . . . 37 LEU HD12 . 16163 1 399 . 1 1 37 37 LEU HD13 H 1 0.500 0.02 . 1 . . . . 37 LEU HD13 . 16163 1 400 . 1 1 37 37 LEU HD21 H 1 0.506 0.02 . 1 . . . . 37 LEU HD21 . 16163 1 401 . 1 1 37 37 LEU HD22 H 1 0.506 0.02 . 1 . . . . 37 LEU HD22 . 16163 1 402 . 1 1 37 37 LEU HD23 H 1 0.506 0.02 . 1 . . . . 37 LEU HD23 . 16163 1 403 . 1 1 37 37 LEU HG H 1 1.328 0.02 . 1 . . . . 37 LEU HG . 16163 1 404 . 1 1 37 37 LEU C C 13 175.047 0.2 . 1 . . . . 37 LEU C . 16163 1 405 . 1 1 37 37 LEU CA C 13 52.646 0.2 . 1 . . . . 37 LEU CA . 16163 1 406 . 1 1 37 37 LEU CB C 13 45.951 0.001 . 1 . . . . 37 LEU CB . 16163 1 407 . 1 1 37 37 LEU CD1 C 13 26.801 0.2 . 1 . . . . 37 LEU CD1 . 16163 1 408 . 1 1 37 37 LEU CD2 C 13 24.134 0.2 . 1 . . . . 37 LEU CD2 . 16163 1 409 . 1 1 37 37 LEU CG C 13 26.334 0.2 . 1 . . . . 37 LEU CG . 16163 1 410 . 1 1 37 37 LEU N N 15 128.195 0.2 . 1 . . . . 37 LEU N . 16163 1 411 . 1 1 38 38 ARG H H 1 8.258 0.02 . 1 . . . . 38 ARG H . 16163 1 412 . 1 1 38 38 ARG HA H 1 4.556 0.02 . 1 . . . . 38 ARG HA . 16163 1 413 . 1 1 38 38 ARG HB2 H 1 1.551 0.02 . 1 . . . . 38 ARG HB2 . 16163 1 414 . 1 1 38 38 ARG HB3 H 1 1.551 0.02 . 1 . . . . 38 ARG HB3 . 16163 1 415 . 1 1 38 38 ARG HD2 H 1 3.032 0.02 . 1 . . . . 38 ARG HD2 . 16163 1 416 . 1 1 38 38 ARG HD3 H 1 2.994 0.02 . 1 . . . . 38 ARG HD3 . 16163 1 417 . 1 1 38 38 ARG HE H 1 7.233 0.02 . 1 . . . . 38 ARG HE . 16163 1 418 . 1 1 38 38 ARG HG2 H 1 1.356 0.02 . 1 . . . . 38 ARG HG2 . 16163 1 419 . 1 1 38 38 ARG HG3 H 1 1.323 0.02 . 1 . . . . 38 ARG HG3 . 16163 1 420 . 1 1 38 38 ARG C C 13 175.726 0.2 . 1 . . . . 38 ARG C . 16163 1 421 . 1 1 38 38 ARG CA C 13 55.701 0.2 . 1 . . . . 38 ARG CA . 16163 1 422 . 1 1 38 38 ARG CB C 13 29.601 0.2 . 1 . . . . 38 ARG CB . 16163 1 423 . 1 1 38 38 ARG CD C 13 42.861 0.001 . 1 . . . . 38 ARG CD . 16163 1 424 . 1 1 38 38 ARG CG C 13 27.439 0.001 . 1 . . . . 38 ARG CG . 16163 1 425 . 1 1 38 38 ARG N N 15 122.992 0.2 . 1 . . . . 38 ARG N . 16163 1 426 . 1 1 38 38 ARG NE N 15 83.894 0.2 . 1 . . . . 38 ARG NE . 16163 1 427 . 1 1 39 39 VAL H H 1 8.635 0.02 . 1 . . . . 39 VAL H . 16163 1 428 . 1 1 39 39 VAL HA H 1 4.358 0.02 . 1 . . . . 39 VAL HA . 16163 1 429 . 1 1 39 39 VAL HB H 1 1.392 0.02 . 1 . . . . 39 VAL HB . 16163 1 430 . 1 1 39 39 VAL HG11 H 1 0.304 0.02 . 1 . . . . 39 VAL HG11 . 16163 1 431 . 1 1 39 39 VAL HG12 H 1 0.304 0.02 . 1 . . . . 39 VAL HG12 . 16163 1 432 . 1 1 39 39 VAL HG13 H 1 0.304 0.02 . 1 . . . . 39 VAL HG13 . 16163 1 433 . 1 1 39 39 VAL HG21 H 1 -0.886 0.02 . 1 . . . . 39 VAL HG21 . 16163 1 434 . 1 1 39 39 VAL HG22 H 1 -0.886 0.02 . 1 . . . . 39 VAL HG22 . 16163 1 435 . 1 1 39 39 VAL HG23 H 1 -0.886 0.02 . 1 . . . . 39 VAL HG23 . 16163 1 436 . 1 1 39 39 VAL C C 13 172.241 0.2 . 1 . . . . 39 VAL C . 16163 1 437 . 1 1 39 39 VAL CA C 13 58.334 0.2 . 1 . . . . 39 VAL CA . 16163 1 438 . 1 1 39 39 VAL CB C 13 35.214 0.2 . 1 . . . . 39 VAL CB . 16163 1 439 . 1 1 39 39 VAL CG1 C 13 21.956 0.2 . 1 . . . . 39 VAL CG1 . 16163 1 440 . 1 1 39 39 VAL CG2 C 13 16.922 0.2 . 1 . . . . 39 VAL CG2 . 16163 1 441 . 1 1 39 39 VAL N N 15 118.388 0.2 . 1 . . . . 39 VAL N . 16163 1 442 . 1 1 40 40 SER H H 1 6.388 0.02 . 1 . . . . 40 SER H . 16163 1 443 . 1 1 40 40 SER HA H 1 4.325 0.02 . 1 . . . . 40 SER HA . 16163 1 444 . 1 1 40 40 SER HB2 H 1 3.864 0.02 . 1 . . . . 40 SER HB2 . 16163 1 445 . 1 1 40 40 SER HB3 H 1 3.585 0.02 . 1 . . . . 40 SER HB3 . 16163 1 446 . 1 1 40 40 SER C C 13 175.046 0.2 . 1 . . . . 40 SER C . 16163 1 447 . 1 1 40 40 SER CA C 13 56.216 0.2 . 1 . . . . 40 SER CA . 16163 1 448 . 1 1 40 40 SER CB C 13 65.650 0.002 . 1 . . . . 40 SER CB . 16163 1 449 . 1 1 40 40 SER N N 15 108.799 0.2 . 1 . . . . 40 SER N . 16163 1 450 . 1 1 41 41 GLY H H 1 9.085 0.02 . 1 . . . . 41 GLY H . 16163 1 451 . 1 1 41 41 GLY HA2 H 1 3.850 0.02 . 1 . . . . 41 GLY HA2 . 16163 1 452 . 1 1 41 41 GLY HA3 H 1 4.321 0.02 . 1 . . . . 41 GLY HA3 . 16163 1 453 . 1 1 41 41 GLY C C 13 173.137 0.2 . 1 . . . . 41 GLY C . 16163 1 454 . 1 1 41 41 GLY CA C 13 47.346 0.2 . 1 . . . . 41 GLY CA . 16163 1 455 . 1 1 41 41 GLY N N 15 107.767 0.2 . 1 . . . . 41 GLY N . 16163 1 456 . 1 1 42 42 ASP H H 1 7.994 0.02 . 1 . . . . 42 ASP H . 16163 1 457 . 1 1 42 42 ASP HA H 1 4.498 0.02 . 1 . . . . 42 ASP HA . 16163 1 458 . 1 1 42 42 ASP HB2 H 1 2.691 0.02 . 1 . . . . 42 ASP HB2 . 16163 1 459 . 1 1 42 42 ASP HB3 H 1 2.593 0.02 . 1 . . . . 42 ASP HB3 . 16163 1 460 . 1 1 42 42 ASP C C 13 175.609 0.2 . 1 . . . . 42 ASP C . 16163 1 461 . 1 1 42 42 ASP CA C 13 53.241 0.2 . 1 . . . . 42 ASP CA . 16163 1 462 . 1 1 42 42 ASP CB C 13 40.331 0.005 . 1 . . . . 42 ASP CB . 16163 1 463 . 1 1 42 42 ASP N N 15 112.956 0.2 . 1 . . . . 42 ASP N . 16163 1 464 . 1 1 43 43 LEU H H 1 7.431 0.02 . 1 . . . . 43 LEU H . 16163 1 465 . 1 1 43 43 LEU HA H 1 4.210 0.02 . 1 . . . . 43 LEU HA . 16163 1 466 . 1 1 43 43 LEU HB2 H 1 1.413 0.02 . 1 . . . . 43 LEU HB2 . 16163 1 467 . 1 1 43 43 LEU HB3 H 1 1.703 0.02 . 1 . . . . 43 LEU HB3 . 16163 1 468 . 1 1 43 43 LEU HD11 H 1 0.880 0.02 . 1 . . . . 43 LEU HD11 . 16163 1 469 . 1 1 43 43 LEU HD12 H 1 0.880 0.02 . 1 . . . . 43 LEU HD12 . 16163 1 470 . 1 1 43 43 LEU HD13 H 1 0.880 0.02 . 1 . . . . 43 LEU HD13 . 16163 1 471 . 1 1 43 43 LEU HD21 H 1 0.617 0.02 . 1 . . . . 43 LEU HD21 . 16163 1 472 . 1 1 43 43 LEU HD22 H 1 0.617 0.02 . 1 . . . . 43 LEU HD22 . 16163 1 473 . 1 1 43 43 LEU HD23 H 1 0.617 0.02 . 1 . . . . 43 LEU HD23 . 16163 1 474 . 1 1 43 43 LEU HG H 1 1.817 0.02 . 1 . . . . 43 LEU HG . 16163 1 475 . 1 1 43 43 LEU C C 13 175.552 0.2 . 1 . . . . 43 LEU C . 16163 1 476 . 1 1 43 43 LEU CA C 13 55.199 0.2 . 1 . . . . 43 LEU CA . 16163 1 477 . 1 1 43 43 LEU CB C 13 42.398 0.001 . 1 . . . . 43 LEU CB . 16163 1 478 . 1 1 43 43 LEU CD1 C 13 23.341 0.2 . 1 . . . . 43 LEU CD1 . 16163 1 479 . 1 1 43 43 LEU CD2 C 13 26.925 0.2 . 1 . . . . 43 LEU CD2 . 16163 1 480 . 1 1 43 43 LEU CG C 13 25.794 0.2 . 1 . . . . 43 LEU CG . 16163 1 481 . 1 1 43 43 LEU N N 15 123.293 0.2 . 1 . . . . 43 LEU N . 16163 1 482 . 1 1 44 44 HIS H H 1 8.405 0.02 . 1 . . . . 44 HIS H . 16163 1 483 . 1 1 44 44 HIS HA H 1 5.154 0.02 . 1 . . . . 44 HIS HA . 16163 1 484 . 1 1 44 44 HIS HB2 H 1 3.055 0.02 . 1 . . . . 44 HIS HB2 . 16163 1 485 . 1 1 44 44 HIS HB3 H 1 3.278 0.02 . 1 . . . . 44 HIS HB3 . 16163 1 486 . 1 1 44 44 HIS HD2 H 1 7.125 0.02 . 1 . . . . 44 HIS HD2 . 16163 1 487 . 1 1 44 44 HIS HE1 H 1 7.802 0.02 . 1 . . . . 44 HIS HE1 . 16163 1 488 . 1 1 44 44 HIS C C 13 177.511 0.2 . 1 . . . . 44 HIS C . 16163 1 489 . 1 1 44 44 HIS CA C 13 54.692 0.2 . 1 . . . . 44 HIS CA . 16163 1 490 . 1 1 44 44 HIS CB C 13 30.868 0.016 . 1 . . . . 44 HIS CB . 16163 1 491 . 1 1 44 44 HIS CD2 C 13 118.675 0.2 . 1 . . . . 44 HIS CD2 . 16163 1 492 . 1 1 44 44 HIS CE1 C 13 139.743 0.2 . 1 . . . . 44 HIS CE1 . 16163 1 493 . 1 1 44 44 HIS N N 15 121.975 0.2 . 1 . . . . 44 HIS N . 16163 1 494 . 1 1 45 45 ILE H H 1 8.628 0.02 . 1 . . . . 45 ILE H . 16163 1 495 . 1 1 45 45 ILE HA H 1 3.445 0.02 . 1 . . . . 45 ILE HA . 16163 1 496 . 1 1 45 45 ILE HB H 1 2.239 0.02 . 1 . . . . 45 ILE HB . 16163 1 497 . 1 1 45 45 ILE HD11 H 1 0.627 0.02 . 1 . . . . 45 ILE HD11 . 16163 1 498 . 1 1 45 45 ILE HD12 H 1 0.627 0.02 . 1 . . . . 45 ILE HD12 . 16163 1 499 . 1 1 45 45 ILE HD13 H 1 0.627 0.02 . 1 . . . . 45 ILE HD13 . 16163 1 500 . 1 1 45 45 ILE HG12 H 1 1.662 0.02 . 1 . . . . 45 ILE HG12 . 16163 1 501 . 1 1 45 45 ILE HG13 H 1 1.300 0.02 . 1 . . . . 45 ILE HG13 . 16163 1 502 . 1 1 45 45 ILE HG21 H 1 0.798 0.02 . 1 . . . . 45 ILE HG21 . 16163 1 503 . 1 1 45 45 ILE HG22 H 1 0.798 0.02 . 1 . . . . 45 ILE HG22 . 16163 1 504 . 1 1 45 45 ILE HG23 H 1 0.798 0.02 . 1 . . . . 45 ILE HG23 . 16163 1 505 . 1 1 45 45 ILE C C 13 179.116 0.2 . 1 . . . . 45 ILE C . 16163 1 506 . 1 1 45 45 ILE CA C 13 62.585 0.2 . 1 . . . . 45 ILE CA . 16163 1 507 . 1 1 45 45 ILE CB C 13 35.492 0.2 . 1 . . . . 45 ILE CB . 16163 1 508 . 1 1 45 45 ILE CD1 C 13 9.636 0.2 . 1 . . . . 45 ILE CD1 . 16163 1 509 . 1 1 45 45 ILE CG1 C 13 27.587 0.003 . 1 . . . . 45 ILE CG1 . 16163 1 510 . 1 1 45 45 ILE CG2 C 13 17.488 0.2 . 1 . . . . 45 ILE CG2 . 16163 1 511 . 1 1 45 45 ILE N N 15 124.304 0.2 . 1 . . . . 45 ILE N . 16163 1 512 . 1 1 46 46 GLY H H 1 9.792 0.02 . 1 . . . . 46 GLY H . 16163 1 513 . 1 1 46 46 GLY HA2 H 1 3.916 0.02 . 1 . . . . 46 GLY HA2 . 16163 1 514 . 1 1 46 46 GLY HA3 H 1 3.901 0.02 . 1 . . . . 46 GLY HA3 . 16163 1 515 . 1 1 46 46 GLY C C 13 175.742 0.2 . 1 . . . . 46 GLY C . 16163 1 516 . 1 1 46 46 GLY CA C 13 46.812 0.2 . 1 . . . . 46 GLY CA . 16163 1 517 . 1 1 46 46 GLY N N 15 106.610 0.2 . 1 . . . . 46 GLY N . 16163 1 518 . 1 1 47 47 GLY H H 1 6.761 0.02 . 1 . . . . 47 GLY H . 16163 1 519 . 1 1 47 47 GLY HA2 H 1 3.739 0.02 . 1 . . . . 47 GLY HA2 . 16163 1 520 . 1 1 47 47 GLY HA3 H 1 3.294 0.02 . 1 . . . . 47 GLY HA3 . 16163 1 521 . 1 1 47 47 GLY C C 13 176.182 0.2 . 1 . . . . 47 GLY C . 16163 1 522 . 1 1 47 47 GLY CA C 13 46.819 0.001 . 1 . . . . 47 GLY CA . 16163 1 523 . 1 1 47 47 GLY N N 15 109.580 0.2 . 1 . . . . 47 GLY N . 16163 1 524 . 1 1 48 48 VAL H H 1 7.669 0.02 . 1 . . . . 48 VAL H . 16163 1 525 . 1 1 48 48 VAL HA H 1 3.083 0.02 . 1 . . . . 48 VAL HA . 16163 1 526 . 1 1 48 48 VAL HB H 1 2.198 0.02 . 1 . . . . 48 VAL HB . 16163 1 527 . 1 1 48 48 VAL HG11 H 1 0.422 0.02 . 1 . . . . 48 VAL HG11 . 16163 1 528 . 1 1 48 48 VAL HG12 H 1 0.422 0.02 . 1 . . . . 48 VAL HG12 . 16163 1 529 . 1 1 48 48 VAL HG13 H 1 0.422 0.02 . 1 . . . . 48 VAL HG13 . 16163 1 530 . 1 1 48 48 VAL HG21 H 1 0.687 0.02 . 1 . . . . 48 VAL HG21 . 16163 1 531 . 1 1 48 48 VAL HG22 H 1 0.687 0.02 . 1 . . . . 48 VAL HG22 . 16163 1 532 . 1 1 48 48 VAL HG23 H 1 0.687 0.02 . 1 . . . . 48 VAL HG23 . 16163 1 533 . 1 1 48 48 VAL C C 13 176.849 0.2 . 1 . . . . 48 VAL C . 16163 1 534 . 1 1 48 48 VAL CA C 13 66.775 0.2 . 1 . . . . 48 VAL CA . 16163 1 535 . 1 1 48 48 VAL CB C 13 30.944 0.2 . 1 . . . . 48 VAL CB . 16163 1 536 . 1 1 48 48 VAL CG1 C 13 20.955 0.2 . 1 . . . . 48 VAL CG1 . 16163 1 537 . 1 1 48 48 VAL CG2 C 13 23.120 0.2 . 1 . . . . 48 VAL CG2 . 16163 1 538 . 1 1 48 48 VAL N N 15 123.461 0.2 . 1 . . . . 48 VAL N . 16163 1 539 . 1 1 49 49 MET H H 1 7.632 0.02 . 1 . . . . 49 MET H . 16163 1 540 . 1 1 49 49 MET HA H 1 3.143 0.02 . 1 . . . . 49 MET HA . 16163 1 541 . 1 1 49 49 MET HB2 H 1 2.184 0.02 . 1 . . . . 49 MET HB2 . 16163 1 542 . 1 1 49 49 MET HB3 H 1 2.114 0.02 . 1 . . . . 49 MET HB3 . 16163 1 543 . 1 1 49 49 MET HE1 H 1 2.350 0.02 . 1 . . . . 49 MET HE1 . 16163 1 544 . 1 1 49 49 MET HE2 H 1 2.350 0.02 . 1 . . . . 49 MET HE2 . 16163 1 545 . 1 1 49 49 MET HE3 H 1 2.350 0.02 . 1 . . . . 49 MET HE3 . 16163 1 546 . 1 1 49 49 MET HG2 H 1 2.641 0.02 . 1 . . . . 49 MET HG2 . 16163 1 547 . 1 1 49 49 MET HG3 H 1 2.168 0.02 . 1 . . . . 49 MET HG3 . 16163 1 548 . 1 1 49 49 MET C C 13 176.774 0.2 . 1 . . . . 49 MET C . 16163 1 549 . 1 1 49 49 MET CA C 13 59.972 0.2 . 1 . . . . 49 MET CA . 16163 1 550 . 1 1 49 49 MET CB C 13 33.142 0.004 . 1 . . . . 49 MET CB . 16163 1 551 . 1 1 49 49 MET CE C 13 15.989 0.2 . 1 . . . . 49 MET CE . 16163 1 552 . 1 1 49 49 MET CG C 13 31.099 0.008 . 1 . . . . 49 MET CG . 16163 1 553 . 1 1 49 49 MET N N 15 115.691 0.2 . 1 . . . . 49 MET N . 16163 1 554 . 1 1 50 50 LEU H H 1 7.535 0.02 . 1 . . . . 50 LEU H . 16163 1 555 . 1 1 50 50 LEU HA H 1 3.821 0.02 . 1 . . . . 50 LEU HA . 16163 1 556 . 1 1 50 50 LEU HB2 H 1 1.611 0.02 . 1 . . . . 50 LEU HB2 . 16163 1 557 . 1 1 50 50 LEU HB3 H 1 1.507 0.02 . 1 . . . . 50 LEU HB3 . 16163 1 558 . 1 1 50 50 LEU HD11 H 1 0.790 0.02 . 1 . . . . 50 LEU HD11 . 16163 1 559 . 1 1 50 50 LEU HD12 H 1 0.790 0.02 . 1 . . . . 50 LEU HD12 . 16163 1 560 . 1 1 50 50 LEU HD13 H 1 0.790 0.02 . 1 . . . . 50 LEU HD13 . 16163 1 561 . 1 1 50 50 LEU HD21 H 1 0.811 0.02 . 1 . . . . 50 LEU HD21 . 16163 1 562 . 1 1 50 50 LEU HD22 H 1 0.811 0.02 . 1 . . . . 50 LEU HD22 . 16163 1 563 . 1 1 50 50 LEU HD23 H 1 0.811 0.02 . 1 . . . . 50 LEU HD23 . 16163 1 564 . 1 1 50 50 LEU HG H 1 1.601 0.02 . 1 . . . . 50 LEU HG . 16163 1 565 . 1 1 50 50 LEU C C 13 179.001 0.2 . 1 . . . . 50 LEU C . 16163 1 566 . 1 1 50 50 LEU CA C 13 57.910 0.2 . 1 . . . . 50 LEU CA . 16163 1 567 . 1 1 50 50 LEU CB C 13 41.821 0.007 . 1 . . . . 50 LEU CB . 16163 1 568 . 1 1 50 50 LEU CD1 C 13 23.839 0.2 . 1 . . . . 50 LEU CD1 . 16163 1 569 . 1 1 50 50 LEU CD2 C 13 24.488 0.2 . 1 . . . . 50 LEU CD2 . 16163 1 570 . 1 1 50 50 LEU CG C 13 26.647 0.2 . 1 . . . . 50 LEU CG . 16163 1 571 . 1 1 50 50 LEU N N 15 117.445 0.2 . 1 . . . . 50 LEU N . 16163 1 572 . 1 1 51 51 LYS H H 1 7.447 0.02 . 1 . . . . 51 LYS H . 16163 1 573 . 1 1 51 51 LYS HA H 1 3.880 0.02 . 1 . . . . 51 LYS HA . 16163 1 574 . 1 1 51 51 LYS HB2 H 1 1.619 0.02 . 1 . . . . 51 LYS HB2 . 16163 1 575 . 1 1 51 51 LYS HB3 H 1 1.691 0.02 . 1 . . . . 51 LYS HB3 . 16163 1 576 . 1 1 51 51 LYS HD2 H 1 1.388 0.02 . 1 . . . . 51 LYS HD2 . 16163 1 577 . 1 1 51 51 LYS HD3 H 1 1.485 0.02 . 1 . . . . 51 LYS HD3 . 16163 1 578 . 1 1 51 51 LYS HE2 H 1 2.903 0.02 . 1 . . . . 51 LYS HE2 . 16163 1 579 . 1 1 51 51 LYS HE3 H 1 2.795 0.02 . 1 . . . . 51 LYS HE3 . 16163 1 580 . 1 1 51 51 LYS HG2 H 1 1.393 0.02 . 1 . . . . 51 LYS HG2 . 16163 1 581 . 1 1 51 51 LYS HG3 H 1 1.474 0.02 . 1 . . . . 51 LYS HG3 . 16163 1 582 . 1 1 51 51 LYS C C 13 178.975 0.2 . 1 . . . . 51 LYS C . 16163 1 583 . 1 1 51 51 LYS CA C 13 59.003 0.2 . 1 . . . . 51 LYS CA . 16163 1 584 . 1 1 51 51 LYS CB C 13 32.890 0.004 . 1 . . . . 51 LYS CB . 16163 1 585 . 1 1 51 51 LYS CD C 13 29.089 0.005 . 1 . . . . 51 LYS CD . 16163 1 586 . 1 1 51 51 LYS CE C 13 41.911 0.2 . 1 . . . . 51 LYS CE . 16163 1 587 . 1 1 51 51 LYS CG C 13 25.524 0.006 . 1 . . . . 51 LYS CG . 16163 1 588 . 1 1 51 51 LYS N N 15 118.306 0.2 . 1 . . . . 51 LYS N . 16163 1 589 . 1 1 52 52 LEU H H 1 7.547 0.02 . 1 . . . . 52 LEU H . 16163 1 590 . 1 1 52 52 LEU HA H 1 3.523 0.02 . 1 . . . . 52 LEU HA . 16163 1 591 . 1 1 52 52 LEU HB2 H 1 1.335 0.02 . 1 . . . . 52 LEU HB2 . 16163 1 592 . 1 1 52 52 LEU HB3 H 1 0.637 0.02 . 1 . . . . 52 LEU HB3 . 16163 1 593 . 1 1 52 52 LEU HD11 H 1 0.286 0.02 . 1 . . . . 52 LEU HD11 . 16163 1 594 . 1 1 52 52 LEU HD12 H 1 0.286 0.02 . 1 . . . . 52 LEU HD12 . 16163 1 595 . 1 1 52 52 LEU HD13 H 1 0.286 0.02 . 1 . . . . 52 LEU HD13 . 16163 1 596 . 1 1 52 52 LEU HD21 H 1 -0.038 0.02 . 1 . . . . 52 LEU HD21 . 16163 1 597 . 1 1 52 52 LEU HD22 H 1 -0.038 0.02 . 1 . . . . 52 LEU HD22 . 16163 1 598 . 1 1 52 52 LEU HD23 H 1 -0.038 0.02 . 1 . . . . 52 LEU HD23 . 16163 1 599 . 1 1 52 52 LEU HG H 1 1.385 0.02 . 1 . . . . 52 LEU HG . 16163 1 600 . 1 1 52 52 LEU C C 13 177.676 0.2 . 1 . . . . 52 LEU C . 16163 1 601 . 1 1 52 52 LEU CA C 13 58.038 0.2 . 1 . . . . 52 LEU CA . 16163 1 602 . 1 1 52 52 LEU CB C 13 41.660 0.001 . 1 . . . . 52 LEU CB . 16163 1 603 . 1 1 52 52 LEU CD1 C 13 23.600 0.2 . 1 . . . . 52 LEU CD1 . 16163 1 604 . 1 1 52 52 LEU CD2 C 13 26.422 0.2 . 1 . . . . 52 LEU CD2 . 16163 1 605 . 1 1 52 52 LEU CG C 13 25.732 0.2 . 1 . . . . 52 LEU CG . 16163 1 606 . 1 1 52 52 LEU N N 15 119.198 0.2 . 1 . . . . 52 LEU N . 16163 1 607 . 1 1 53 53 VAL H H 1 7.368 0.02 . 1 . . . . 53 VAL H . 16163 1 608 . 1 1 53 53 VAL HA H 1 2.469 0.02 . 1 . . . . 53 VAL HA . 16163 1 609 . 1 1 53 53 VAL HB H 1 1.649 0.02 . 1 . . . . 53 VAL HB . 16163 1 610 . 1 1 53 53 VAL HG11 H 1 0.249 0.02 . 1 . . . . 53 VAL HG11 . 16163 1 611 . 1 1 53 53 VAL HG12 H 1 0.249 0.02 . 1 . . . . 53 VAL HG12 . 16163 1 612 . 1 1 53 53 VAL HG13 H 1 0.249 0.02 . 1 . . . . 53 VAL HG13 . 16163 1 613 . 1 1 53 53 VAL HG21 H 1 0.219 0.02 . 1 . . . . 53 VAL HG21 . 16163 1 614 . 1 1 53 53 VAL HG22 H 1 0.219 0.02 . 1 . . . . 53 VAL HG22 . 16163 1 615 . 1 1 53 53 VAL HG23 H 1 0.219 0.02 . 1 . . . . 53 VAL HG23 . 16163 1 616 . 1 1 53 53 VAL C C 13 179.189 0.2 . 1 . . . . 53 VAL C . 16163 1 617 . 1 1 53 53 VAL CA C 13 66.706 0.2 . 1 . . . . 53 VAL CA . 16163 1 618 . 1 1 53 53 VAL CB C 13 31.343 0.2 . 1 . . . . 53 VAL CB . 16163 1 619 . 1 1 53 53 VAL CG1 C 13 20.124 0.2 . 1 . . . . 53 VAL CG1 . 16163 1 620 . 1 1 53 53 VAL CG2 C 13 21.270 0.2 . 1 . . . . 53 VAL CG2 . 16163 1 621 . 1 1 53 53 VAL N N 15 117.879 0.2 . 1 . . . . 53 VAL N . 16163 1 622 . 1 1 54 54 GLU H H 1 7.966 0.02 . 1 . . . . 54 GLU H . 16163 1 623 . 1 1 54 54 GLU HA H 1 3.865 0.02 . 1 . . . . 54 GLU HA . 16163 1 624 . 1 1 54 54 GLU HB2 H 1 2.009 0.02 . 1 . . . . 54 GLU HB2 . 16163 1 625 . 1 1 54 54 GLU HB3 H 1 1.909 0.02 . 1 . . . . 54 GLU HB3 . 16163 1 626 . 1 1 54 54 GLU HG2 H 1 2.062 0.02 . 1 . . . . 54 GLU HG2 . 16163 1 627 . 1 1 54 54 GLU HG3 H 1 2.293 0.02 . 1 . . . . 54 GLU HG3 . 16163 1 628 . 1 1 54 54 GLU C C 13 178.593 0.2 . 1 . . . . 54 GLU C . 16163 1 629 . 1 1 54 54 GLU CA C 13 58.935 0.2 . 1 . . . . 54 GLU CA . 16163 1 630 . 1 1 54 54 GLU CB C 13 29.772 0.2 . 1 . . . . 54 GLU CB . 16163 1 631 . 1 1 54 54 GLU CG C 13 36.375 0.001 . 1 . . . . 54 GLU CG . 16163 1 632 . 1 1 54 54 GLU N N 15 119.295 0.2 . 1 . . . . 54 GLU N . 16163 1 633 . 1 1 55 55 GLN H H 1 7.651 0.02 . 1 . . . . 55 GLN H . 16163 1 634 . 1 1 55 55 GLN HA H 1 4.005 0.02 . 1 . . . . 55 GLN HA . 16163 1 635 . 1 1 55 55 GLN HB2 H 1 2.062 0.02 . 1 . . . . 55 GLN HB2 . 16163 1 636 . 1 1 55 55 GLN HB3 H 1 1.942 0.02 . 1 . . . . 55 GLN HB3 . 16163 1 637 . 1 1 55 55 GLN HE21 H 1 7.414 0.02 . 1 . . . . 55 GLN HE21 . 16163 1 638 . 1 1 55 55 GLN HE22 H 1 6.698 0.02 . 1 . . . . 55 GLN HE22 . 16163 1 639 . 1 1 55 55 GLN HG2 H 1 2.356 0.02 . 1 . . . . 55 GLN HG2 . 16163 1 640 . 1 1 55 55 GLN HG3 H 1 2.291 0.02 . 1 . . . . 55 GLN HG3 . 16163 1 641 . 1 1 55 55 GLN C C 13 177.512 0.2 . 1 . . . . 55 GLN C . 16163 1 642 . 1 1 55 55 GLN CA C 13 57.362 0.2 . 1 . . . . 55 GLN CA . 16163 1 643 . 1 1 55 55 GLN CB C 13 28.938 0.001 . 1 . . . . 55 GLN CB . 16163 1 644 . 1 1 55 55 GLN CG C 13 34.307 0.004 . 1 . . . . 55 GLN CG . 16163 1 645 . 1 1 55 55 GLN N N 15 116.036 0.2 . 1 . . . . 55 GLN N . 16163 1 646 . 1 1 55 55 GLN NE2 N 15 111.821 0.001 . 1 . . . . 55 GLN NE2 . 16163 1 647 . 1 1 56 56 MET H H 1 7.691 0.02 . 1 . . . . 56 MET H . 16163 1 648 . 1 1 56 56 MET HA H 1 4.316 0.02 . 1 . . . . 56 MET HA . 16163 1 649 . 1 1 56 56 MET HB2 H 1 2.119 0.02 . 1 . . . . 56 MET HB2 . 16163 1 650 . 1 1 56 56 MET HB3 H 1 1.977 0.02 . 1 . . . . 56 MET HB3 . 16163 1 651 . 1 1 56 56 MET HE1 H 1 1.741 0.02 . 1 . . . . 56 MET HE1 . 16163 1 652 . 1 1 56 56 MET HE2 H 1 1.741 0.02 . 1 . . . . 56 MET HE2 . 16163 1 653 . 1 1 56 56 MET HE3 H 1 1.741 0.02 . 1 . . . . 56 MET HE3 . 16163 1 654 . 1 1 56 56 MET HG2 H 1 2.514 0.02 . 1 . . . . 56 MET HG2 . 16163 1 655 . 1 1 56 56 MET HG3 H 1 2.489 0.02 . 1 . . . . 56 MET HG3 . 16163 1 656 . 1 1 56 56 MET C C 13 176.572 0.2 . 1 . . . . 56 MET C . 16163 1 657 . 1 1 56 56 MET CA C 13 56.492 0.2 . 1 . . . . 56 MET CA . 16163 1 658 . 1 1 56 56 MET CB C 13 32.901 0.003 . 1 . . . . 56 MET CB . 16163 1 659 . 1 1 56 56 MET CE C 13 16.585 0.2 . 1 . . . . 56 MET CE . 16163 1 660 . 1 1 56 56 MET CG C 13 32.495 0.004 . 1 . . . . 56 MET CG . 16163 1 661 . 1 1 56 56 MET N N 15 117.664 0.2 . 1 . . . . 56 MET N . 16163 1 662 . 1 1 57 57 ASN H H 1 7.816 0.02 . 1 . . . . 57 ASN H . 16163 1 663 . 1 1 57 57 ASN HA H 1 4.495 0.02 . 1 . . . . 57 ASN HA . 16163 1 664 . 1 1 57 57 ASN HB2 H 1 3.077 0.02 . 1 . . . . 57 ASN HB2 . 16163 1 665 . 1 1 57 57 ASN HB3 H 1 2.465 0.02 . 1 . . . . 57 ASN HB3 . 16163 1 666 . 1 1 57 57 ASN HD21 H 1 7.515 0.02 . 1 . . . . 57 ASN HD21 . 16163 1 667 . 1 1 57 57 ASN HD22 H 1 6.702 0.02 . 1 . . . . 57 ASN HD22 . 16163 1 668 . 1 1 57 57 ASN C C 13 174.613 0.2 . 1 . . . . 57 ASN C . 16163 1 669 . 1 1 57 57 ASN CA C 13 53.813 0.2 . 1 . . . . 57 ASN CA . 16163 1 670 . 1 1 57 57 ASN CB C 13 37.713 0.2 . 1 . . . . 57 ASN CB . 16163 1 671 . 1 1 57 57 ASN N N 15 115.864 0.2 . 1 . . . . 57 ASN N . 16163 1 672 . 1 1 57 57 ASN ND2 N 15 111.399 0.003 . 1 . . . . 57 ASN ND2 . 16163 1 673 . 1 1 58 58 ILE H H 1 8.391 0.02 . 1 . . . . 58 ILE H . 16163 1 674 . 1 1 58 58 ILE HA H 1 4.284 0.02 . 1 . . . . 58 ILE HA . 16163 1 675 . 1 1 58 58 ILE HB H 1 1.706 0.02 . 1 . . . . 58 ILE HB . 16163 1 676 . 1 1 58 58 ILE HD11 H 1 0.700 0.02 . 1 . . . . 58 ILE HD11 . 16163 1 677 . 1 1 58 58 ILE HD12 H 1 0.700 0.02 . 1 . . . . 58 ILE HD12 . 16163 1 678 . 1 1 58 58 ILE HD13 H 1 0.700 0.02 . 1 . . . . 58 ILE HD13 . 16163 1 679 . 1 1 58 58 ILE HG12 H 1 0.973 0.02 . 1 . . . . 58 ILE HG12 . 16163 1 680 . 1 1 58 58 ILE HG13 H 1 1.497 0.02 . 1 . . . . 58 ILE HG13 . 16163 1 681 . 1 1 58 58 ILE HG21 H 1 0.707 0.02 . 1 . . . . 58 ILE HG21 . 16163 1 682 . 1 1 58 58 ILE HG22 H 1 0.707 0.02 . 1 . . . . 58 ILE HG22 . 16163 1 683 . 1 1 58 58 ILE HG23 H 1 0.707 0.02 . 1 . . . . 58 ILE HG23 . 16163 1 684 . 1 1 58 58 ILE C C 13 175.277 0.2 . 1 . . . . 58 ILE C . 16163 1 685 . 1 1 58 58 ILE CA C 13 60.631 0.2 . 1 . . . . 58 ILE CA . 16163 1 686 . 1 1 58 58 ILE CB C 13 41.470 0.2 . 1 . . . . 58 ILE CB . 16163 1 687 . 1 1 58 58 ILE CD1 C 13 13.693 0.2 . 1 . . . . 58 ILE CD1 . 16163 1 688 . 1 1 58 58 ILE CG1 C 13 26.803 0.2 . 1 . . . . 58 ILE CG1 . 16163 1 689 . 1 1 58 58 ILE CG2 C 13 17.543 0.2 . 1 . . . . 58 ILE CG2 . 16163 1 690 . 1 1 58 58 ILE N N 15 117.760 0.2 . 1 . . . . 58 ILE N . 16163 1 691 . 1 1 59 59 ALA H H 1 8.438 0.02 . 1 . . . . 59 ALA H . 16163 1 692 . 1 1 59 59 ALA HA H 1 4.535 0.02 . 1 . . . . 59 ALA HA . 16163 1 693 . 1 1 59 59 ALA HB1 H 1 1.242 0.02 . 1 . . . . 59 ALA HB1 . 16163 1 694 . 1 1 59 59 ALA HB2 H 1 1.242 0.02 . 1 . . . . 59 ALA HB2 . 16163 1 695 . 1 1 59 59 ALA HB3 H 1 1.242 0.02 . 1 . . . . 59 ALA HB3 . 16163 1 696 . 1 1 59 59 ALA C C 13 175.554 0.2 . 1 . . . . 59 ALA C . 16163 1 697 . 1 1 59 59 ALA CA C 13 51.604 0.2 . 1 . . . . 59 ALA CA . 16163 1 698 . 1 1 59 59 ALA CB C 13 17.256 0.2 . 1 . . . . 59 ALA CB . 16163 1 699 . 1 1 59 59 ALA N N 15 129.371 0.2 . 1 . . . . 59 ALA N . 16163 1 700 . 1 1 60 60 GLN H H 1 7.498 0.02 . 1 . . . . 60 GLN H . 16163 1 701 . 1 1 60 60 GLN HA H 1 4.291 0.02 . 1 . . . . 60 GLN HA . 16163 1 702 . 1 1 60 60 GLN HB2 H 1 1.367 0.02 . 1 . . . . 60 GLN HB2 . 16163 1 703 . 1 1 60 60 GLN HB3 H 1 1.455 0.02 . 1 . . . . 60 GLN HB3 . 16163 1 704 . 1 1 60 60 GLN HE21 H 1 5.766 0.02 . 1 . . . . 60 GLN HE21 . 16163 1 705 . 1 1 60 60 GLN HE22 H 1 4.212 0.02 . 1 . . . . 60 GLN HE22 . 16163 1 706 . 1 1 60 60 GLN HG2 H 1 0.365 0.02 . 1 . . . . 60 GLN HG2 . 16163 1 707 . 1 1 60 60 GLN HG3 H 1 1.131 0.02 . 1 . . . . 60 GLN HG3 . 16163 1 708 . 1 1 60 60 GLN C C 13 172.908 0.2 . 1 . . . . 60 GLN C . 16163 1 709 . 1 1 60 60 GLN CA C 13 53.492 0.2 . 1 . . . . 60 GLN CA . 16163 1 710 . 1 1 60 60 GLN CB C 13 30.340 0.008 . 1 . . . . 60 GLN CB . 16163 1 711 . 1 1 60 60 GLN CG C 13 30.591 0.009 . 1 . . . . 60 GLN CG . 16163 1 712 . 1 1 60 60 GLN N N 15 120.550 0.2 . 1 . . . . 60 GLN N . 16163 1 713 . 1 1 60 60 GLN NE2 N 15 107.435 0.002 . 1 . . . . 60 GLN NE2 . 16163 1 714 . 1 1 61 61 ASP H H 1 8.086 0.02 . 1 . . . . 61 ASP H . 16163 1 715 . 1 1 61 61 ASP HA H 1 4.622 0.02 . 1 . . . . 61 ASP HA . 16163 1 716 . 1 1 61 61 ASP HB2 H 1 2.729 0.02 . 1 . . . . 61 ASP HB2 . 16163 1 717 . 1 1 61 61 ASP HB3 H 1 2.531 0.02 . 1 . . . . 61 ASP HB3 . 16163 1 718 . 1 1 61 61 ASP C C 13 177.529 0.2 . 1 . . . . 61 ASP C . 16163 1 719 . 1 1 61 61 ASP CA C 13 53.520 0.2 . 1 . . . . 61 ASP CA . 16163 1 720 . 1 1 61 61 ASP CB C 13 40.493 0.005 . 1 . . . . 61 ASP CB . 16163 1 721 . 1 1 61 61 ASP N N 15 118.225 0.2 . 1 . . . . 61 ASP N . 16163 1 722 . 1 1 62 62 TRP H H 1 8.999 0.02 . 1 . . . . 62 TRP H . 16163 1 723 . 1 1 62 62 TRP HA H 1 4.578 0.02 . 1 . . . . 62 TRP HA . 16163 1 724 . 1 1 62 62 TRP HB2 H 1 3.315 0.02 . 1 . . . . 62 TRP HB2 . 16163 1 725 . 1 1 62 62 TRP HB3 H 1 2.891 0.02 . 1 . . . . 62 TRP HB3 . 16163 1 726 . 1 1 62 62 TRP HD1 H 1 7.319 0.02 . 1 . . . . 62 TRP HD1 . 16163 1 727 . 1 1 62 62 TRP HE1 H 1 10.057 0.02 . 1 . . . . 62 TRP HE1 . 16163 1 728 . 1 1 62 62 TRP HE3 H 1 5.740 0.02 . 1 . . . . 62 TRP HE3 . 16163 1 729 . 1 1 62 62 TRP HH2 H 1 6.872 0.02 . 1 . . . . 62 TRP HH2 . 16163 1 730 . 1 1 62 62 TRP HZ2 H 1 7.338 0.02 . 1 . . . . 62 TRP HZ2 . 16163 1 731 . 1 1 62 62 TRP HZ3 H 1 6.266 0.02 . 1 . . . . 62 TRP HZ3 . 16163 1 732 . 1 1 62 62 TRP C C 13 178.609 0.2 . 1 . . . . 62 TRP C . 16163 1 733 . 1 1 62 62 TRP CA C 13 57.200 0.2 . 1 . . . . 62 TRP CA . 16163 1 734 . 1 1 62 62 TRP CB C 13 29.155 0.003 . 1 . . . . 62 TRP CB . 16163 1 735 . 1 1 62 62 TRP CD1 C 13 130.513 0.2 . 1 . . . . 62 TRP CD1 . 16163 1 736 . 1 1 62 62 TRP CE3 C 13 120.461 0.2 . 1 . . . . 62 TRP CE3 . 16163 1 737 . 1 1 62 62 TRP CH2 C 13 123.407 0.2 . 1 . . . . 62 TRP CH2 . 16163 1 738 . 1 1 62 62 TRP CZ2 C 13 114.511 0.2 . 1 . . . . 62 TRP CZ2 . 16163 1 739 . 1 1 62 62 TRP CZ3 C 13 121.785 0.2 . 1 . . . . 62 TRP CZ3 . 16163 1 740 . 1 1 62 62 TRP N N 15 129.134 0.2 . 1 . . . . 62 TRP N . 16163 1 741 . 1 1 62 62 TRP NE1 N 15 129.579 0.2 . 1 . . . . 62 TRP NE1 . 16163 1 742 . 1 1 63 63 SER H H 1 8.756 0.02 . 1 . . . . 63 SER H . 16163 1 743 . 1 1 63 63 SER HA H 1 4.127 0.02 . 1 . . . . 63 SER HA . 16163 1 744 . 1 1 63 63 SER HB2 H 1 3.922 0.02 . 1 . . . . 63 SER HB2 . 16163 1 745 . 1 1 63 63 SER HB3 H 1 4.018 0.02 . 1 . . . . 63 SER HB3 . 16163 1 746 . 1 1 63 63 SER C C 13 175.119 0.2 . 1 . . . . 63 SER C . 16163 1 747 . 1 1 63 63 SER CA C 13 62.933 0.2 . 1 . . . . 63 SER CA . 16163 1 748 . 1 1 63 63 SER CB C 13 63.120 0.2 . 1 . . . . 63 SER CB . 16163 1 749 . 1 1 63 63 SER N N 15 119.231 0.2 . 1 . . . . 63 SER N . 16163 1 750 . 1 1 64 64 ASP H H 1 9.095 0.02 . 1 . . . . 64 ASP H . 16163 1 751 . 1 1 64 64 ASP HA H 1 4.876 0.02 . 1 . . . . 64 ASP HA . 16163 1 752 . 1 1 64 64 ASP HB2 H 1 2.516 0.02 . 1 . . . . 64 ASP HB2 . 16163 1 753 . 1 1 64 64 ASP HB3 H 1 2.408 0.02 . 1 . . . . 64 ASP HB3 . 16163 1 754 . 1 1 64 64 ASP C C 13 177.267 0.2 . 1 . . . . 64 ASP C . 16163 1 755 . 1 1 64 64 ASP CA C 13 54.157 0.2 . 1 . . . . 64 ASP CA . 16163 1 756 . 1 1 64 64 ASP CB C 13 43.116 0.2 . 1 . . . . 64 ASP CB . 16163 1 757 . 1 1 64 64 ASP N N 15 120.137 0.2 . 1 . . . . 64 ASP N . 16163 1 758 . 1 1 65 65 TYR H H 1 7.991 0.02 . 1 . . . . 65 TYR H . 16163 1 759 . 1 1 65 65 TYR HA H 1 4.151 0.02 . 1 . . . . 65 TYR HA . 16163 1 760 . 1 1 65 65 TYR HB2 H 1 2.941 0.02 . 1 . . . . 65 TYR HB2 . 16163 1 761 . 1 1 65 65 TYR HB3 H 1 1.204 0.02 . 1 . . . . 65 TYR HB3 . 16163 1 762 . 1 1 65 65 TYR HD1 H 1 7.026 0.02 . 3 . . . . 65 TYR HD1 . 16163 1 763 . 1 1 65 65 TYR HD2 H 1 7.026 0.02 . 3 . . . . 65 TYR HD2 . 16163 1 764 . 1 1 65 65 TYR HE1 H 1 7.013 0.02 . 3 . . . . 65 TYR HE1 . 16163 1 765 . 1 1 65 65 TYR HE2 H 1 7.013 0.02 . 3 . . . . 65 TYR HE2 . 16163 1 766 . 1 1 65 65 TYR C C 13 175.746 0.2 . 1 . . . . 65 TYR C . 16163 1 767 . 1 1 65 65 TYR CA C 13 59.053 0.2 . 1 . . . . 65 TYR CA . 16163 1 768 . 1 1 65 65 TYR CB C 13 38.836 0.002 . 1 . . . . 65 TYR CB . 16163 1 769 . 1 1 65 65 TYR CD1 C 13 130.482 0.2 . 3 . . . . 65 TYR CD1 . 16163 1 770 . 1 1 65 65 TYR CD2 C 13 130.482 0.2 . 3 . . . . 65 TYR CD2 . 16163 1 771 . 1 1 65 65 TYR CE1 C 13 122.899 0.2 . 3 . . . . 65 TYR CE1 . 16163 1 772 . 1 1 65 65 TYR CE2 C 13 122.899 0.2 . 3 . . . . 65 TYR CE2 . 16163 1 773 . 1 1 65 65 TYR N N 15 121.458 0.2 . 1 . . . . 65 TYR N . 16163 1 774 . 1 1 66 66 ALA H H 1 8.698 0.02 . 1 . . . . 66 ALA H . 16163 1 775 . 1 1 66 66 ALA HA H 1 4.794 0.02 . 1 . . . . 66 ALA HA . 16163 1 776 . 1 1 66 66 ALA HB1 H 1 1.425 0.02 . 1 . . . . 66 ALA HB1 . 16163 1 777 . 1 1 66 66 ALA HB2 H 1 1.425 0.02 . 1 . . . . 66 ALA HB2 . 16163 1 778 . 1 1 66 66 ALA HB3 H 1 1.425 0.02 . 1 . . . . 66 ALA HB3 . 16163 1 779 . 1 1 66 66 ALA C C 13 175.126 0.2 . 1 . . . . 66 ALA C . 16163 1 780 . 1 1 66 66 ALA CA C 13 51.166 0.2 . 1 . . . . 66 ALA CA . 16163 1 781 . 1 1 66 66 ALA CB C 13 23.771 0.2 . 1 . . . . 66 ALA CB . 16163 1 782 . 1 1 66 66 ALA N N 15 122.944 0.2 . 1 . . . . 66 ALA N . 16163 1 783 . 1 1 67 67 LEU H H 1 9.131 0.02 . 1 . . . . 67 LEU H . 16163 1 784 . 1 1 67 67 LEU HA H 1 5.498 0.02 . 1 . . . . 67 LEU HA . 16163 1 785 . 1 1 67 67 LEU HB2 H 1 2.137 0.02 . 1 . . . . 67 LEU HB2 . 16163 1 786 . 1 1 67 67 LEU HB3 H 1 1.146 0.02 . 1 . . . . 67 LEU HB3 . 16163 1 787 . 1 1 67 67 LEU HD11 H 1 0.691 0.02 . 1 . . . . 67 LEU HD11 . 16163 1 788 . 1 1 67 67 LEU HD12 H 1 0.691 0.02 . 1 . . . . 67 LEU HD12 . 16163 1 789 . 1 1 67 67 LEU HD13 H 1 0.691 0.02 . 1 . . . . 67 LEU HD13 . 16163 1 790 . 1 1 67 67 LEU HD21 H 1 0.763 0.02 . 1 . . . . 67 LEU HD21 . 16163 1 791 . 1 1 67 67 LEU HD22 H 1 0.763 0.02 . 1 . . . . 67 LEU HD22 . 16163 1 792 . 1 1 67 67 LEU HD23 H 1 0.763 0.02 . 1 . . . . 67 LEU HD23 . 16163 1 793 . 1 1 67 67 LEU HG H 1 1.719 0.02 . 1 . . . . 67 LEU HG . 16163 1 794 . 1 1 67 67 LEU C C 13 174.489 0.2 . 1 . . . . 67 LEU C . 16163 1 795 . 1 1 67 67 LEU CA C 13 53.987 0.2 . 1 . . . . 67 LEU CA . 16163 1 796 . 1 1 67 67 LEU CB C 13 44.080 0.006 . 1 . . . . 67 LEU CB . 16163 1 797 . 1 1 67 67 LEU CD1 C 13 24.144 0.2 . 1 . . . . 67 LEU CD1 . 16163 1 798 . 1 1 67 67 LEU CD2 C 13 25.982 0.2 . 1 . . . . 67 LEU CD2 . 16163 1 799 . 1 1 67 67 LEU CG C 13 26.996 0.2 . 1 . . . . 67 LEU CG . 16163 1 800 . 1 1 67 67 LEU N N 15 118.646 0.2 . 1 . . . . 67 LEU N . 16163 1 801 . 1 1 68 68 TRP H H 1 9.934 0.02 . 1 . . . . 68 TRP H . 16163 1 802 . 1 1 68 68 TRP HA H 1 4.680 0.02 . 1 . . . . 68 TRP HA . 16163 1 803 . 1 1 68 68 TRP HB2 H 1 2.005 0.02 . 1 . . . . 68 TRP HB2 . 16163 1 804 . 1 1 68 68 TRP HB3 H 1 2.770 0.02 . 1 . . . . 68 TRP HB3 . 16163 1 805 . 1 1 68 68 TRP HD1 H 1 6.617 0.02 . 1 . . . . 68 TRP HD1 . 16163 1 806 . 1 1 68 68 TRP HE1 H 1 9.933 0.02 . 1 . . . . 68 TRP HE1 . 16163 1 807 . 1 1 68 68 TRP HE3 H 1 5.068 0.02 . 1 . . . . 68 TRP HE3 . 16163 1 808 . 1 1 68 68 TRP HH2 H 1 6.675 0.02 . 1 . . . . 68 TRP HH2 . 16163 1 809 . 1 1 68 68 TRP HZ2 H 1 6.973 0.02 . 1 . . . . 68 TRP HZ2 . 16163 1 810 . 1 1 68 68 TRP HZ3 H 1 6.260 0.02 . 1 . . . . 68 TRP HZ3 . 16163 1 811 . 1 1 68 68 TRP C C 13 174.148 0.2 . 1 . . . . 68 TRP C . 16163 1 812 . 1 1 68 68 TRP CA C 13 55.276 0.2 . 1 . . . . 68 TRP CA . 16163 1 813 . 1 1 68 68 TRP CB C 13 30.222 0.021 . 1 . . . . 68 TRP CB . 16163 1 814 . 1 1 68 68 TRP CD1 C 13 127.067 0.2 . 1 . . . . 68 TRP CD1 . 16163 1 815 . 1 1 68 68 TRP CE3 C 13 121.397 0.2 . 1 . . . . 68 TRP CE3 . 16163 1 816 . 1 1 68 68 TRP CH2 C 13 124.124 0.2 . 1 . . . . 68 TRP CH2 . 16163 1 817 . 1 1 68 68 TRP CZ2 C 13 113.132 0.2 . 1 . . . . 68 TRP CZ2 . 16163 1 818 . 1 1 68 68 TRP CZ3 C 13 120.851 0.2 . 1 . . . . 68 TRP CZ3 . 16163 1 819 . 1 1 68 68 TRP N N 15 126.978 0.2 . 1 . . . . 68 TRP N . 16163 1 820 . 1 1 68 68 TRP NE1 N 15 128.740 0.2 . 1 . . . . 68 TRP NE1 . 16163 1 821 . 1 1 69 69 TRP H H 1 8.507 0.02 . 1 . . . . 69 TRP H . 16163 1 822 . 1 1 69 69 TRP HA H 1 5.060 0.02 . 1 . . . . 69 TRP HA . 16163 1 823 . 1 1 69 69 TRP HB2 H 1 2.395 0.02 . 1 . . . . 69 TRP HB2 . 16163 1 824 . 1 1 69 69 TRP HB3 H 1 3.387 0.02 . 1 . . . . 69 TRP HB3 . 16163 1 825 . 1 1 69 69 TRP HD1 H 1 7.343 0.02 . 1 . . . . 69 TRP HD1 . 16163 1 826 . 1 1 69 69 TRP HE1 H 1 9.870 0.02 . 1 . . . . 69 TRP HE1 . 16163 1 827 . 1 1 69 69 TRP HE3 H 1 7.056 0.02 . 1 . . . . 69 TRP HE3 . 16163 1 828 . 1 1 69 69 TRP HH2 H 1 7.003 0.02 . 1 . . . . 69 TRP HH2 . 16163 1 829 . 1 1 69 69 TRP HZ2 H 1 7.327 0.02 . 1 . . . . 69 TRP HZ2 . 16163 1 830 . 1 1 69 69 TRP HZ3 H 1 6.989 0.02 . 1 . . . . 69 TRP HZ3 . 16163 1 831 . 1 1 69 69 TRP C C 13 175.837 0.2 . 1 . . . . 69 TRP C . 16163 1 832 . 1 1 69 69 TRP CA C 13 52.520 0.2 . 1 . . . . 69 TRP CA . 16163 1 833 . 1 1 69 69 TRP CB C 13 30.500 0.001 . 1 . . . . 69 TRP CB . 16163 1 834 . 1 1 69 69 TRP CD1 C 13 121.901 0.2 . 1 . . . . 69 TRP CD1 . 16163 1 835 . 1 1 69 69 TRP CE3 C 13 120.916 0.2 . 1 . . . . 69 TRP CE3 . 16163 1 836 . 1 1 69 69 TRP CH2 C 13 122.909 0.2 . 1 . . . . 69 TRP CH2 . 16163 1 837 . 1 1 69 69 TRP CZ2 C 13 114.420 0.2 . 1 . . . . 69 TRP CZ2 . 16163 1 838 . 1 1 69 69 TRP CZ3 C 13 126.605 0.2 . 1 . . . . 69 TRP CZ3 . 16163 1 839 . 1 1 69 69 TRP N N 15 129.756 0.2 . 1 . . . . 69 TRP N . 16163 1 840 . 1 1 69 69 TRP NE1 N 15 126.776 0.2 . 1 . . . . 69 TRP NE1 . 16163 1 841 . 1 1 70 70 GLU H H 1 8.917 0.02 . 1 . . . . 70 GLU H . 16163 1 842 . 1 1 70 70 GLU HA H 1 3.817 0.02 . 1 . . . . 70 GLU HA . 16163 1 843 . 1 1 70 70 GLU HB2 H 1 2.139 0.02 . 1 . . . . 70 GLU HB2 . 16163 1 844 . 1 1 70 70 GLU HB3 H 1 2.071 0.02 . 1 . . . . 70 GLU HB3 . 16163 1 845 . 1 1 70 70 GLU HG2 H 1 2.285 0.02 . 1 . . . . 70 GLU HG2 . 16163 1 846 . 1 1 70 70 GLU HG3 H 1 2.285 0.02 . 1 . . . . 70 GLU HG3 . 16163 1 847 . 1 1 70 70 GLU C C 13 179.449 0.2 . 1 . . . . 70 GLU C . 16163 1 848 . 1 1 70 70 GLU CA C 13 60.208 0.2 . 1 . . . . 70 GLU CA . 16163 1 849 . 1 1 70 70 GLU CB C 13 29.937 0.2 . 1 . . . . 70 GLU CB . 16163 1 850 . 1 1 70 70 GLU CG C 13 35.468 0.2 . 1 . . . . 70 GLU CG . 16163 1 851 . 1 1 70 70 GLU N N 15 126.517 0.2 . 1 . . . . 70 GLU N . 16163 1 852 . 1 1 71 71 GLN H H 1 8.515 0.02 . 1 . . . . 71 GLN H . 16163 1 853 . 1 1 71 71 GLN HA H 1 3.782 0.02 . 1 . . . . 71 GLN HA . 16163 1 854 . 1 1 71 71 GLN HB2 H 1 1.756 0.02 . 1 . . . . 71 GLN HB2 . 16163 1 855 . 1 1 71 71 GLN HB3 H 1 1.674 0.02 . 1 . . . . 71 GLN HB3 . 16163 1 856 . 1 1 71 71 GLN HE21 H 1 7.603 0.02 . 1 . . . . 71 GLN HE21 . 16163 1 857 . 1 1 71 71 GLN HE22 H 1 7.050 0.02 . 1 . . . . 71 GLN HE22 . 16163 1 858 . 1 1 71 71 GLN HG2 H 1 2.742 0.02 . 1 . . . . 71 GLN HG2 . 16163 1 859 . 1 1 71 71 GLN HG3 H 1 2.464 0.02 . 1 . . . . 71 GLN HG3 . 16163 1 860 . 1 1 71 71 GLN C C 13 177.266 0.2 . 1 . . . . 71 GLN C . 16163 1 861 . 1 1 71 71 GLN CA C 13 61.006 0.2 . 1 . . . . 71 GLN CA . 16163 1 862 . 1 1 71 71 GLN CB C 13 27.451 0.005 . 1 . . . . 71 GLN CB . 16163 1 863 . 1 1 71 71 GLN CG C 13 35.193 0.2 . 1 . . . . 71 GLN CG . 16163 1 864 . 1 1 71 71 GLN N N 15 114.822 0.2 . 1 . . . . 71 GLN N . 16163 1 865 . 1 1 71 71 GLN NE2 N 15 112.453 0.2 . 1 . . . . 71 GLN NE2 . 16163 1 866 . 1 1 72 72 LYS H H 1 5.086 0.02 . 1 . . . . 72 LYS H . 16163 1 867 . 1 1 72 72 LYS HA H 1 3.719 0.02 . 1 . . . . 72 LYS HA . 16163 1 868 . 1 1 72 72 LYS HB2 H 1 1.148 0.02 . 1 . . . . 72 LYS HB2 . 16163 1 869 . 1 1 72 72 LYS HB3 H 1 0.104 0.02 . 1 . . . . 72 LYS HB3 . 16163 1 870 . 1 1 72 72 LYS HD2 H 1 0.751 0.02 . 1 . . . . 72 LYS HD2 . 16163 1 871 . 1 1 72 72 LYS HD3 H 1 0.661 0.02 . 1 . . . . 72 LYS HD3 . 16163 1 872 . 1 1 72 72 LYS HE2 H 1 2.448 0.02 . 1 . . . . 72 LYS HE2 . 16163 1 873 . 1 1 72 72 LYS HE3 H 1 2.394 0.02 . 1 . . . . 72 LYS HE3 . 16163 1 874 . 1 1 72 72 LYS HG2 H 1 -0.305 0.02 . 1 . . . . 72 LYS HG2 . 16163 1 875 . 1 1 72 72 LYS HG3 H 1 -0.404 0.02 . 1 . . . . 72 LYS HG3 . 16163 1 876 . 1 1 72 72 LYS C C 13 174.268 0.2 . 1 . . . . 72 LYS C . 16163 1 877 . 1 1 72 72 LYS CA C 13 53.864 0.2 . 1 . . . . 72 LYS CA . 16163 1 878 . 1 1 72 72 LYS CB C 13 33.242 0.002 . 1 . . . . 72 LYS CB . 16163 1 879 . 1 1 72 72 LYS CD C 13 27.526 0.008 . 1 . . . . 72 LYS CD . 16163 1 880 . 1 1 72 72 LYS CE C 13 42.070 0.001 . 1 . . . . 72 LYS CE . 16163 1 881 . 1 1 72 72 LYS CG C 13 23.439 0.001 . 1 . . . . 72 LYS CG . 16163 1 882 . 1 1 72 72 LYS N N 15 112.499 0.2 . 1 . . . . 72 LYS N . 16163 1 883 . 1 1 73 73 ARG H H 1 7.402 0.02 . 1 . . . . 73 ARG H . 16163 1 884 . 1 1 73 73 ARG HA H 1 2.800 0.02 . 1 . . . . 73 ARG HA . 16163 1 885 . 1 1 73 73 ARG HB2 H 1 1.774 0.02 . 1 . . . . 73 ARG HB2 . 16163 1 886 . 1 1 73 73 ARG HB3 H 1 1.710 0.02 . 1 . . . . 73 ARG HB3 . 16163 1 887 . 1 1 73 73 ARG HD2 H 1 3.164 0.02 . 1 . . . . 73 ARG HD2 . 16163 1 888 . 1 1 73 73 ARG HD3 H 1 3.201 0.02 . 1 . . . . 73 ARG HD3 . 16163 1 889 . 1 1 73 73 ARG HE H 1 7.202 0.02 . 1 . . . . 73 ARG HE . 16163 1 890 . 1 1 73 73 ARG HG2 H 1 1.490 0.02 . 1 . . . . 73 ARG HG2 . 16163 1 891 . 1 1 73 73 ARG HG3 H 1 1.563 0.02 . 1 . . . . 73 ARG HG3 . 16163 1 892 . 1 1 73 73 ARG C C 13 173.935 0.2 . 1 . . . . 73 ARG C . 16163 1 893 . 1 1 73 73 ARG CA C 13 56.187 0.2 . 1 . . . . 73 ARG CA . 16163 1 894 . 1 1 73 73 ARG CB C 13 26.602 0.005 . 1 . . . . 73 ARG CB . 16163 1 895 . 1 1 73 73 ARG CD C 13 43.464 0.001 . 1 . . . . 73 ARG CD . 16163 1 896 . 1 1 73 73 ARG CG C 13 27.217 0.2 . 1 . . . . 73 ARG CG . 16163 1 897 . 1 1 73 73 ARG N N 15 118.477 0.2 . 1 . . . . 73 ARG N . 16163 1 898 . 1 1 73 73 ARG NE N 15 84.911 0.2 . 1 . . . . 73 ARG NE . 16163 1 899 . 1 1 74 74 CYS H H 1 6.242 0.02 . 1 . . . . 74 CYS H . 16163 1 900 . 1 1 74 74 CYS HA H 1 4.671 0.02 . 1 . . . . 74 CYS HA . 16163 1 901 . 1 1 74 74 CYS HB2 H 1 3.032 0.02 . 1 . . . . 74 CYS HB2 . 16163 1 902 . 1 1 74 74 CYS HB3 H 1 2.500 0.02 . 1 . . . . 74 CYS HB3 . 16163 1 903 . 1 1 74 74 CYS C C 13 171.332 0.2 . 1 . . . . 74 CYS C . 16163 1 904 . 1 1 74 74 CYS CA C 13 54.443 0.2 . 1 . . . . 74 CYS CA . 16163 1 905 . 1 1 74 74 CYS CB C 13 31.599 0.015 . 1 . . . . 74 CYS CB . 16163 1 906 . 1 1 74 74 CYS N N 15 110.705 0.2 . 1 . . . . 74 CYS N . 16163 1 907 . 1 1 75 75 TRP H H 1 8.567 0.02 . 1 . . . . 75 TRP H . 16163 1 908 . 1 1 75 75 TRP HA H 1 5.414 0.02 . 1 . . . . 75 TRP HA . 16163 1 909 . 1 1 75 75 TRP HB2 H 1 3.148 0.02 . 1 . . . . 75 TRP HB2 . 16163 1 910 . 1 1 75 75 TRP HB3 H 1 3.059 0.02 . 1 . . . . 75 TRP HB3 . 16163 1 911 . 1 1 75 75 TRP HD1 H 1 7.529 0.02 . 1 . . . . 75 TRP HD1 . 16163 1 912 . 1 1 75 75 TRP HE1 H 1 10.132 0.02 . 1 . . . . 75 TRP HE1 . 16163 1 913 . 1 1 75 75 TRP HE3 H 1 7.552 0.02 . 1 . . . . 75 TRP HE3 . 16163 1 914 . 1 1 75 75 TRP HH2 H 1 6.785 0.02 . 1 . . . . 75 TRP HH2 . 16163 1 915 . 1 1 75 75 TRP HZ2 H 1 7.165 0.02 . 1 . . . . 75 TRP HZ2 . 16163 1 916 . 1 1 75 75 TRP HZ3 H 1 7.135 0.02 . 1 . . . . 75 TRP HZ3 . 16163 1 917 . 1 1 75 75 TRP C C 13 177.638 0.2 . 1 . . . . 75 TRP C . 16163 1 918 . 1 1 75 75 TRP CA C 13 55.720 0.2 . 1 . . . . 75 TRP CA . 16163 1 919 . 1 1 75 75 TRP CB C 13 30.966 0.003 . 1 . . . . 75 TRP CB . 16163 1 920 . 1 1 75 75 TRP CD1 C 13 128.421 0.2 . 1 . . . . 75 TRP CD1 . 16163 1 921 . 1 1 75 75 TRP CE3 C 13 121.241 0.2 . 1 . . . . 75 TRP CE3 . 16163 1 922 . 1 1 75 75 TRP CH2 C 13 125.546 0.2 . 1 . . . . 75 TRP CH2 . 16163 1 923 . 1 1 75 75 TRP CZ2 C 13 114.935 0.2 . 1 . . . . 75 TRP CZ2 . 16163 1 924 . 1 1 75 75 TRP CZ3 C 13 123.775 0.2 . 1 . . . . 75 TRP CZ3 . 16163 1 925 . 1 1 75 75 TRP N N 15 120.876 0.2 . 1 . . . . 75 TRP N . 16163 1 926 . 1 1 75 75 TRP NE1 N 15 130.222 0.2 . 1 . . . . 75 TRP NE1 . 16163 1 927 . 1 1 76 76 LEU H H 1 9.181 0.02 . 1 . . . . 76 LEU H . 16163 1 928 . 1 1 76 76 LEU HA H 1 4.737 0.02 . 1 . . . . 76 LEU HA . 16163 1 929 . 1 1 76 76 LEU HB2 H 1 1.938 0.02 . 1 . . . . 76 LEU HB2 . 16163 1 930 . 1 1 76 76 LEU HB3 H 1 1.451 0.02 . 1 . . . . 76 LEU HB3 . 16163 1 931 . 1 1 76 76 LEU HD11 H 1 1.035 0.02 . 1 . . . . 76 LEU HD11 . 16163 1 932 . 1 1 76 76 LEU HD12 H 1 1.035 0.02 . 1 . . . . 76 LEU HD12 . 16163 1 933 . 1 1 76 76 LEU HD13 H 1 1.035 0.02 . 1 . . . . 76 LEU HD13 . 16163 1 934 . 1 1 76 76 LEU HD21 H 1 0.642 0.02 . 1 . . . . 76 LEU HD21 . 16163 1 935 . 1 1 76 76 LEU HD22 H 1 0.642 0.02 . 1 . . . . 76 LEU HD22 . 16163 1 936 . 1 1 76 76 LEU HD23 H 1 0.642 0.02 . 1 . . . . 76 LEU HD23 . 16163 1 937 . 1 1 76 76 LEU HG H 1 1.614 0.02 . 1 . . . . 76 LEU HG . 16163 1 938 . 1 1 76 76 LEU C C 13 175.745 0.2 . 1 . . . . 76 LEU C . 16163 1 939 . 1 1 76 76 LEU CA C 13 53.729 0.2 . 1 . . . . 76 LEU CA . 16163 1 940 . 1 1 76 76 LEU CB C 13 40.810 0.008 . 1 . . . . 76 LEU CB . 16163 1 941 . 1 1 76 76 LEU CD1 C 13 23.600 0.2 . 1 . . . . 76 LEU CD1 . 16163 1 942 . 1 1 76 76 LEU CD2 C 13 26.670 0.2 . 1 . . . . 76 LEU CD2 . 16163 1 943 . 1 1 76 76 LEU CG C 13 26.707 0.2 . 1 . . . . 76 LEU CG . 16163 1 944 . 1 1 76 76 LEU N N 15 125.488 0.2 . 1 . . . . 76 LEU N . 16163 1 945 . 1 1 77 77 LEU H H 1 7.711 0.02 . 1 . . . . 77 LEU H . 16163 1 946 . 1 1 77 77 LEU HA H 1 4.416 0.02 . 1 . . . . 77 LEU HA . 16163 1 947 . 1 1 77 77 LEU HB2 H 1 1.646 0.02 . 1 . . . . 77 LEU HB2 . 16163 1 948 . 1 1 77 77 LEU HB3 H 1 1.591 0.02 . 1 . . . . 77 LEU HB3 . 16163 1 949 . 1 1 77 77 LEU HD11 H 1 0.813 0.02 . 1 . . . . 77 LEU HD11 . 16163 1 950 . 1 1 77 77 LEU HD12 H 1 0.813 0.02 . 1 . . . . 77 LEU HD12 . 16163 1 951 . 1 1 77 77 LEU HD13 H 1 0.813 0.02 . 1 . . . . 77 LEU HD13 . 16163 1 952 . 1 1 77 77 LEU HD21 H 1 0.700 0.02 . 1 . . . . 77 LEU HD21 . 16163 1 953 . 1 1 77 77 LEU HD22 H 1 0.700 0.02 . 1 . . . . 77 LEU HD22 . 16163 1 954 . 1 1 77 77 LEU HD23 H 1 0.700 0.02 . 1 . . . . 77 LEU HD23 . 16163 1 955 . 1 1 77 77 LEU HG H 1 1.570 0.02 . 1 . . . . 77 LEU HG . 16163 1 956 . 1 1 77 77 LEU C C 13 178.257 0.2 . 1 . . . . 77 LEU C . 16163 1 957 . 1 1 77 77 LEU CA C 13 54.539 0.2 . 1 . . . . 77 LEU CA . 16163 1 958 . 1 1 77 77 LEU CB C 13 42.566 0.002 . 1 . . . . 77 LEU CB . 16163 1 959 . 1 1 77 77 LEU CD1 C 13 25.178 0.2 . 1 . . . . 77 LEU CD1 . 16163 1 960 . 1 1 77 77 LEU CD2 C 13 22.232 0.2 . 1 . . . . 77 LEU CD2 . 16163 1 961 . 1 1 77 77 LEU CG C 13 26.900 0.2 . 1 . . . . 77 LEU CG . 16163 1 962 . 1 1 77 77 LEU N N 15 119.493 0.2 . 1 . . . . 77 LEU N . 16163 1 963 . 1 1 78 78 LYS H H 1 8.173 0.02 . 1 . . . . 78 LYS H . 16163 1 964 . 1 1 78 78 LYS HA H 1 4.380 0.02 . 1 . . . . 78 LYS HA . 16163 1 965 . 1 1 78 78 LYS HB2 H 1 1.012 0.02 . 1 . . . . 78 LYS HB2 . 16163 1 966 . 1 1 78 78 LYS HB3 H 1 0.277 0.02 . 1 . . . . 78 LYS HB3 . 16163 1 967 . 1 1 78 78 LYS HD2 H 1 0.843 0.02 . 1 . . . . 78 LYS HD2 . 16163 1 968 . 1 1 78 78 LYS HD3 H 1 0.474 0.02 . 1 . . . . 78 LYS HD3 . 16163 1 969 . 1 1 78 78 LYS HE2 H 1 2.552 0.02 . 1 . . . . 78 LYS HE2 . 16163 1 970 . 1 1 78 78 LYS HE3 H 1 2.552 0.02 . 1 . . . . 78 LYS HE3 . 16163 1 971 . 1 1 78 78 LYS HG2 H 1 0.355 0.02 . 1 . . . . 78 LYS HG2 . 16163 1 972 . 1 1 78 78 LYS HG3 H 1 0.737 0.02 . 1 . . . . 78 LYS HG3 . 16163 1 973 . 1 1 78 78 LYS C C 13 177.029 0.2 . 1 . . . . 78 LYS C . 16163 1 974 . 1 1 78 78 LYS CA C 13 54.048 0.2 . 1 . . . . 78 LYS CA . 16163 1 975 . 1 1 78 78 LYS CB C 13 28.755 0.003 . 1 . . . . 78 LYS CB . 16163 1 976 . 1 1 78 78 LYS CD C 13 28.341 0.001 . 1 . . . . 78 LYS CD . 16163 1 977 . 1 1 78 78 LYS CE C 13 42.195 0.2 . 1 . . . . 78 LYS CE . 16163 1 978 . 1 1 78 78 LYS CG C 13 23.406 0.001 . 1 . . . . 78 LYS CG . 16163 1 979 . 1 1 78 78 LYS N N 15 121.730 0.2 . 1 . . . . 78 LYS N . 16163 1 980 . 1 1 79 79 THR H H 1 7.812 0.02 . 1 . . . . 79 THR H . 16163 1 981 . 1 1 79 79 THR HA H 1 3.677 0.02 . 1 . . . . 79 THR HA . 16163 1 982 . 1 1 79 79 THR HB H 1 4.113 0.02 . 1 . . . . 79 THR HB . 16163 1 983 . 1 1 79 79 THR HG21 H 1 1.247 0.02 . 1 . . . . 79 THR HG21 . 16163 1 984 . 1 1 79 79 THR HG22 H 1 1.247 0.02 . 1 . . . . 79 THR HG22 . 16163 1 985 . 1 1 79 79 THR HG23 H 1 1.247 0.02 . 1 . . . . 79 THR HG23 . 16163 1 986 . 1 1 79 79 THR C C 13 175.193 0.2 . 1 . . . . 79 THR C . 16163 1 987 . 1 1 79 79 THR CA C 13 64.890 0.2 . 1 . . . . 79 THR CA . 16163 1 988 . 1 1 79 79 THR CB C 13 68.447 0.2 . 1 . . . . 79 THR CB . 16163 1 989 . 1 1 79 79 THR CG2 C 13 22.455 0.2 . 1 . . . . 79 THR CG2 . 16163 1 990 . 1 1 79 79 THR N N 15 114.142 0.2 . 1 . . . . 79 THR N . 16163 1 991 . 1 1 80 80 HIS H H 1 8.929 0.02 . 1 . . . . 80 HIS H . 16163 1 992 . 1 1 80 80 HIS HA H 1 4.759 0.02 . 1 . . . . 80 HIS HA . 16163 1 993 . 1 1 80 80 HIS HB2 H 1 3.254 0.02 . 1 . . . . 80 HIS HB2 . 16163 1 994 . 1 1 80 80 HIS HB3 H 1 3.077 0.02 . 1 . . . . 80 HIS HB3 . 16163 1 995 . 1 1 80 80 HIS C C 13 175.622 0.2 . 1 . . . . 80 HIS C . 16163 1 996 . 1 1 80 80 HIS CA C 13 56.078 0.2 . 1 . . . . 80 HIS CA . 16163 1 997 . 1 1 80 80 HIS CB C 13 29.927 0.011 . 1 . . . . 80 HIS CB . 16163 1 998 . 1 1 80 80 HIS N N 15 117.372 0.2 . 1 . . . . 80 HIS N . 16163 1 999 . 1 1 81 81 TRP H H 1 8.544 0.02 . 1 . . . . 81 TRP H . 16163 1 1000 . 1 1 81 81 TRP HA H 1 4.906 0.02 . 1 . . . . 81 TRP HA . 16163 1 1001 . 1 1 81 81 TRP HB2 H 1 3.122 0.02 . 1 . . . . 81 TRP HB2 . 16163 1 1002 . 1 1 81 81 TRP HB3 H 1 3.058 0.02 . 1 . . . . 81 TRP HB3 . 16163 1 1003 . 1 1 81 81 TRP HD1 H 1 6.263 0.02 . 1 . . . . 81 TRP HD1 . 16163 1 1004 . 1 1 81 81 TRP HE1 H 1 10.185 0.02 . 1 . . . . 81 TRP HE1 . 16163 1 1005 . 1 1 81 81 TRP HE3 H 1 7.800 0.02 . 1 . . . . 81 TRP HE3 . 16163 1 1006 . 1 1 81 81 TRP HH2 H 1 7.249 0.02 . 1 . . . . 81 TRP HH2 . 16163 1 1007 . 1 1 81 81 TRP HZ2 H 1 7.521 0.02 . 1 . . . . 81 TRP HZ2 . 16163 1 1008 . 1 1 81 81 TRP HZ3 H 1 7.163 0.02 . 1 . . . . 81 TRP HZ3 . 16163 1 1009 . 1 1 81 81 TRP C C 13 175.952 0.2 . 1 . . . . 81 TRP C . 16163 1 1010 . 1 1 81 81 TRP CA C 13 56.009 0.2 . 1 . . . . 81 TRP CA . 16163 1 1011 . 1 1 81 81 TRP CB C 13 30.999 0.005 . 1 . . . . 81 TRP CB . 16163 1 1012 . 1 1 81 81 TRP CD1 C 13 123.417 0.2 . 1 . . . . 81 TRP CD1 . 16163 1 1013 . 1 1 81 81 TRP CE3 C 13 122.116 0.2 . 1 . . . . 81 TRP CE3 . 16163 1 1014 . 1 1 81 81 TRP CH2 C 13 125.256 0.2 . 1 . . . . 81 TRP CH2 . 16163 1 1015 . 1 1 81 81 TRP CZ2 C 13 114.914 0.2 . 1 . . . . 81 TRP CZ2 . 16163 1 1016 . 1 1 81 81 TRP CZ3 C 13 122.300 0.2 . 1 . . . . 81 TRP CZ3 . 16163 1 1017 . 1 1 81 81 TRP N N 15 122.512 0.2 . 1 . . . . 81 TRP N . 16163 1 1018 . 1 1 81 81 TRP NE1 N 15 127.971 0.2 . 1 . . . . 81 TRP NE1 . 16163 1 1019 . 1 1 82 82 THR H H 1 7.587 0.02 . 1 . . . . 82 THR H . 16163 1 1020 . 1 1 82 82 THR HA H 1 4.725 0.02 . 1 . . . . 82 THR HA . 16163 1 1021 . 1 1 82 82 THR HB H 1 5.030 0.02 . 1 . . . . 82 THR HB . 16163 1 1022 . 1 1 82 82 THR HG21 H 1 1.203 0.02 . 1 . . . . 82 THR HG21 . 16163 1 1023 . 1 1 82 82 THR HG22 H 1 1.203 0.02 . 1 . . . . 82 THR HG22 . 16163 1 1024 . 1 1 82 82 THR HG23 H 1 1.203 0.02 . 1 . . . . 82 THR HG23 . 16163 1 1025 . 1 1 82 82 THR C C 13 176.305 0.2 . 1 . . . . 82 THR C . 16163 1 1026 . 1 1 82 82 THR CA C 13 60.250 0.2 . 1 . . . . 82 THR CA . 16163 1 1027 . 1 1 82 82 THR CB C 13 70.601 0.2 . 1 . . . . 82 THR CB . 16163 1 1028 . 1 1 82 82 THR CG2 C 13 22.387 0.2 . 1 . . . . 82 THR CG2 . 16163 1 1029 . 1 1 82 82 THR N N 15 109.728 0.2 . 1 . . . . 82 THR N . 16163 1 1030 . 1 1 83 83 LEU H H 1 8.354 0.02 . 1 . . . . 83 LEU H . 16163 1 1031 . 1 1 83 83 LEU HA H 1 3.798 0.02 . 1 . . . . 83 LEU HA . 16163 1 1032 . 1 1 83 83 LEU HB2 H 1 2.041 0.02 . 1 . . . . 83 LEU HB2 . 16163 1 1033 . 1 1 83 83 LEU HB3 H 1 1.595 0.02 . 1 . . . . 83 LEU HB3 . 16163 1 1034 . 1 1 83 83 LEU HD11 H 1 0.510 0.02 . 1 . . . . 83 LEU HD11 . 16163 1 1035 . 1 1 83 83 LEU HD12 H 1 0.510 0.02 . 1 . . . . 83 LEU HD12 . 16163 1 1036 . 1 1 83 83 LEU HD13 H 1 0.510 0.02 . 1 . . . . 83 LEU HD13 . 16163 1 1037 . 1 1 83 83 LEU HD21 H 1 0.577 0.02 . 1 . . . . 83 LEU HD21 . 16163 1 1038 . 1 1 83 83 LEU HD22 H 1 0.577 0.02 . 1 . . . . 83 LEU HD22 . 16163 1 1039 . 1 1 83 83 LEU HD23 H 1 0.577 0.02 . 1 . . . . 83 LEU HD23 . 16163 1 1040 . 1 1 83 83 LEU C C 13 179.461 0.2 . 1 . . . . 83 LEU C . 16163 1 1041 . 1 1 83 83 LEU CA C 13 59.442 0.2 . 1 . . . . 83 LEU CA . 16163 1 1042 . 1 1 83 83 LEU CB C 13 40.758 0.001 . 1 . . . . 83 LEU CB . 16163 1 1043 . 1 1 83 83 LEU CD1 C 13 22.465 0.2 . 1 . . . . 83 LEU CD1 . 16163 1 1044 . 1 1 83 83 LEU CD2 C 13 26.004 0.2 . 1 . . . . 83 LEU CD2 . 16163 1 1045 . 1 1 83 83 LEU N N 15 122.120 0.2 . 1 . . . . 83 LEU N . 16163 1 1046 . 1 1 84 84 ASP H H 1 8.985 0.02 . 1 . . . . 84 ASP H . 16163 1 1047 . 1 1 84 84 ASP HA H 1 4.427 0.02 . 1 . . . . 84 ASP HA . 16163 1 1048 . 1 1 84 84 ASP HB2 H 1 2.433 0.02 . 1 . . . . 84 ASP HB2 . 16163 1 1049 . 1 1 84 84 ASP HB3 H 1 2.433 0.02 . 1 . . . . 84 ASP HB3 . 16163 1 1050 . 1 1 84 84 ASP C C 13 179.464 0.2 . 1 . . . . 84 ASP C . 16163 1 1051 . 1 1 84 84 ASP CA C 13 57.459 0.2 . 1 . . . . 84 ASP CA . 16163 1 1052 . 1 1 84 84 ASP CB C 13 40.243 0.2 . 1 . . . . 84 ASP CB . 16163 1 1053 . 1 1 84 84 ASP N N 15 118.020 0.2 . 1 . . . . 84 ASP N . 16163 1 1054 . 1 1 85 85 LYS H H 1 8.134 0.02 . 1 . . . . 85 LYS H . 16163 1 1055 . 1 1 85 85 LYS HA H 1 3.820 0.02 . 1 . . . . 85 LYS HA . 16163 1 1056 . 1 1 85 85 LYS HB2 H 1 1.670 0.02 . 1 . . . . 85 LYS HB2 . 16163 1 1057 . 1 1 85 85 LYS HB3 H 1 1.742 0.02 . 1 . . . . 85 LYS HB3 . 16163 1 1058 . 1 1 85 85 LYS HD2 H 1 1.147 0.02 . 1 . . . . 85 LYS HD2 . 16163 1 1059 . 1 1 85 85 LYS HD3 H 1 0.676 0.02 . 1 . . . . 85 LYS HD3 . 16163 1 1060 . 1 1 85 85 LYS HE2 H 1 1.722 0.02 . 1 . . . . 85 LYS HE2 . 16163 1 1061 . 1 1 85 85 LYS HE3 H 1 1.710 0.02 . 1 . . . . 85 LYS HE3 . 16163 1 1062 . 1 1 85 85 LYS HG2 H 1 0.851 0.02 . 1 . . . . 85 LYS HG2 . 16163 1 1063 . 1 1 85 85 LYS HG3 H 1 0.595 0.02 . 1 . . . . 85 LYS HG3 . 16163 1 1064 . 1 1 85 85 LYS C C 13 178.824 0.2 . 1 . . . . 85 LYS C . 16163 1 1065 . 1 1 85 85 LYS CA C 13 59.103 0.2 . 1 . . . . 85 LYS CA . 16163 1 1066 . 1 1 85 85 LYS CB C 13 32.229 0.2 . 1 . . . . 85 LYS CB . 16163 1 1067 . 1 1 85 85 LYS CD C 13 28.729 0.001 . 1 . . . . 85 LYS CD . 16163 1 1068 . 1 1 85 85 LYS CE C 13 41.379 0.2 . 1 . . . . 85 LYS CE . 16163 1 1069 . 1 1 85 85 LYS CG C 13 24.817 0.003 . 1 . . . . 85 LYS CG . 16163 1 1070 . 1 1 85 85 LYS N N 15 123.380 0.2 . 1 . . . . 85 LYS N . 16163 1 1071 . 1 1 86 86 CYS H H 1 8.083 0.02 . 1 . . . . 86 CYS H . 16163 1 1072 . 1 1 86 86 CYS HA H 1 4.439 0.02 . 1 . . . . 86 CYS HA . 16163 1 1073 . 1 1 86 86 CYS HB2 H 1 3.105 0.02 . 1 . . . . 86 CYS HB2 . 16163 1 1074 . 1 1 86 86 CYS HB3 H 1 2.921 0.02 . 1 . . . . 86 CYS HB3 . 16163 1 1075 . 1 1 86 86 CYS C C 13 174.621 0.2 . 1 . . . . 86 CYS C . 16163 1 1076 . 1 1 86 86 CYS CA C 13 61.800 0.2 . 1 . . . . 86 CYS CA . 16163 1 1077 . 1 1 86 86 CYS CB C 13 28.700 0.011 . 1 . . . . 86 CYS CB . 16163 1 1078 . 1 1 86 86 CYS N N 15 113.734 0.2 . 1 . . . . 86 CYS N . 16163 1 1079 . 1 1 87 87 GLY H H 1 7.904 0.02 . 1 . . . . 87 GLY H . 16163 1 1080 . 1 1 87 87 GLY HA2 H 1 4.254 0.02 . 1 . . . . 87 GLY HA2 . 16163 1 1081 . 1 1 87 87 GLY HA3 H 1 3.818 0.02 . 1 . . . . 87 GLY HA3 . 16163 1 1082 . 1 1 87 87 GLY C C 13 174.471 0.2 . 1 . . . . 87 GLY C . 16163 1 1083 . 1 1 87 87 GLY CA C 13 45.434 0.024 . 1 . . . . 87 GLY CA . 16163 1 1084 . 1 1 87 87 GLY N N 15 107.243 0.2 . 1 . . . . 87 GLY N . 16163 1 1085 . 1 1 88 88 VAL H H 1 7.635 0.02 . 1 . . . . 88 VAL H . 16163 1 1086 . 1 1 88 88 VAL HA H 1 3.165 0.02 . 1 . . . . 88 VAL HA . 16163 1 1087 . 1 1 88 88 VAL HB H 1 1.629 0.02 . 1 . . . . 88 VAL HB . 16163 1 1088 . 1 1 88 88 VAL HG11 H 1 -0.187 0.02 . 1 . . . . 88 VAL HG11 . 16163 1 1089 . 1 1 88 88 VAL HG12 H 1 -0.187 0.02 . 1 . . . . 88 VAL HG12 . 16163 1 1090 . 1 1 88 88 VAL HG13 H 1 -0.187 0.02 . 1 . . . . 88 VAL HG13 . 16163 1 1091 . 1 1 88 88 VAL HG21 H 1 0.451 0.02 . 1 . . . . 88 VAL HG21 . 16163 1 1092 . 1 1 88 88 VAL HG22 H 1 0.451 0.02 . 1 . . . . 88 VAL HG22 . 16163 1 1093 . 1 1 88 88 VAL HG23 H 1 0.451 0.02 . 1 . . . . 88 VAL HG23 . 16163 1 1094 . 1 1 88 88 VAL C C 13 173.926 0.2 . 1 . . . . 88 VAL C . 16163 1 1095 . 1 1 88 88 VAL CA C 13 63.281 0.2 . 1 . . . . 88 VAL CA . 16163 1 1096 . 1 1 88 88 VAL CB C 13 31.892 0.2 . 1 . . . . 88 VAL CB . 16163 1 1097 . 1 1 88 88 VAL CG1 C 13 20.977 0.2 . 1 . . . . 88 VAL CG1 . 16163 1 1098 . 1 1 88 88 VAL CG2 C 13 22.042 0.2 . 1 . . . . 88 VAL CG2 . 16163 1 1099 . 1 1 88 88 VAL N N 15 122.351 0.2 . 1 . . . . 88 VAL N . 16163 1 1100 . 1 1 89 89 GLN H H 1 7.651 0.02 . 1 . . . . 89 GLN H . 16163 1 1101 . 1 1 89 89 GLN HA H 1 3.946 0.02 . 1 . . . . 89 GLN HA . 16163 1 1102 . 1 1 89 89 GLN HB2 H 1 1.799 0.02 . 1 . . . . 89 GLN HB2 . 16163 1 1103 . 1 1 89 89 GLN HB3 H 1 1.799 0.02 . 1 . . . . 89 GLN HB3 . 16163 1 1104 . 1 1 89 89 GLN HE21 H 1 7.388 0.02 . 1 . . . . 89 GLN HE21 . 16163 1 1105 . 1 1 89 89 GLN HE22 H 1 6.604 0.02 . 1 . . . . 89 GLN HE22 . 16163 1 1106 . 1 1 89 89 GLN HG2 H 1 2.045 0.02 . 1 . . . . 89 GLN HG2 . 16163 1 1107 . 1 1 89 89 GLN HG3 H 1 2.000 0.02 . 1 . . . . 89 GLN HG3 . 16163 1 1108 . 1 1 89 89 GLN C C 13 175.629 0.2 . 1 . . . . 89 GLN C . 16163 1 1109 . 1 1 89 89 GLN CA C 13 53.861 0.2 . 1 . . . . 89 GLN CA . 16163 1 1110 . 1 1 89 89 GLN CB C 13 31.010 0.2 . 1 . . . . 89 GLN CB . 16163 1 1111 . 1 1 89 89 GLN CG C 13 34.077 0.001 . 1 . . . . 89 GLN CG . 16163 1 1112 . 1 1 89 89 GLN N N 15 125.820 0.2 . 1 . . . . 89 GLN N . 16163 1 1113 . 1 1 89 89 GLN NE2 N 15 112.339 0.001 . 1 . . . . 89 GLN NE2 . 16163 1 1114 . 1 1 90 90 ALA H H 1 7.025 0.02 . 1 . . . . 90 ALA H . 16163 1 1115 . 1 1 90 90 ALA HA H 1 3.873 0.02 . 1 . . . . 90 ALA HA . 16163 1 1116 . 1 1 90 90 ALA HB1 H 1 1.169 0.02 . 1 . . . . 90 ALA HB1 . 16163 1 1117 . 1 1 90 90 ALA HB2 H 1 1.169 0.02 . 1 . . . . 90 ALA HB2 . 16163 1 1118 . 1 1 90 90 ALA HB3 H 1 1.169 0.02 . 1 . . . . 90 ALA HB3 . 16163 1 1119 . 1 1 90 90 ALA C C 13 177.042 0.2 . 1 . . . . 90 ALA C . 16163 1 1120 . 1 1 90 90 ALA CA C 13 54.869 0.2 . 1 . . . . 90 ALA CA . 16163 1 1121 . 1 1 90 90 ALA CB C 13 18.818 0.2 . 1 . . . . 90 ALA CB . 16163 1 1122 . 1 1 90 90 ALA N N 15 118.713 0.2 . 1 . . . . 90 ALA N . 16163 1 1123 . 1 1 91 91 ASP H H 1 8.310 0.02 . 1 . . . . 91 ASP H . 16163 1 1124 . 1 1 91 91 ASP HA H 1 4.415 0.02 . 1 . . . . 91 ASP HA . 16163 1 1125 . 1 1 91 91 ASP HB2 H 1 2.745 0.02 . 1 . . . . 91 ASP HB2 . 16163 1 1126 . 1 1 91 91 ASP HB3 H 1 2.473 0.02 . 1 . . . . 91 ASP HB3 . 16163 1 1127 . 1 1 91 91 ASP C C 13 176.371 0.2 . 1 . . . . 91 ASP C . 16163 1 1128 . 1 1 91 91 ASP CA C 13 53.133 0.2 . 1 . . . . 91 ASP CA . 16163 1 1129 . 1 1 91 91 ASP CB C 13 39.673 0.004 . 1 . . . . 91 ASP CB . 16163 1 1130 . 1 1 91 91 ASP N N 15 113.050 0.2 . 1 . . . . 91 ASP N . 16163 1 1131 . 1 1 92 92 ALA H H 1 7.831 0.02 . 1 . . . . 92 ALA H . 16163 1 1132 . 1 1 92 92 ALA HA H 1 4.237 0.02 . 1 . . . . 92 ALA HA . 16163 1 1133 . 1 1 92 92 ALA HB1 H 1 1.122 0.02 . 1 . . . . 92 ALA HB1 . 16163 1 1134 . 1 1 92 92 ALA HB2 H 1 1.122 0.02 . 1 . . . . 92 ALA HB2 . 16163 1 1135 . 1 1 92 92 ALA HB3 H 1 1.122 0.02 . 1 . . . . 92 ALA HB3 . 16163 1 1136 . 1 1 92 92 ALA C C 13 176.536 0.2 . 1 . . . . 92 ALA C . 16163 1 1137 . 1 1 92 92 ALA CA C 13 53.721 0.2 . 1 . . . . 92 ALA CA . 16163 1 1138 . 1 1 92 92 ALA CB C 13 19.774 0.2 . 1 . . . . 92 ALA CB . 16163 1 1139 . 1 1 92 92 ALA N N 15 124.114 0.2 . 1 . . . . 92 ALA N . 16163 1 1140 . 1 1 93 93 ASN H H 1 9.478 0.02 . 1 . . . . 93 ASN H . 16163 1 1141 . 1 1 93 93 ASN HA H 1 5.141 0.02 . 1 . . . . 93 ASN HA . 16163 1 1142 . 1 1 93 93 ASN HB2 H 1 2.800 0.02 . 1 . . . . 93 ASN HB2 . 16163 1 1143 . 1 1 93 93 ASN HB3 H 1 3.014 0.02 . 1 . . . . 93 ASN HB3 . 16163 1 1144 . 1 1 93 93 ASN HD21 H 1 7.573 0.02 . 1 . . . . 93 ASN HD21 . 16163 1 1145 . 1 1 93 93 ASN HD22 H 1 6.812 0.02 . 1 . . . . 93 ASN HD22 . 16163 1 1146 . 1 1 93 93 ASN C C 13 173.906 0.2 . 1 . . . . 93 ASN C . 16163 1 1147 . 1 1 93 93 ASN CA C 13 52.433 0.2 . 1 . . . . 93 ASN CA . 16163 1 1148 . 1 1 93 93 ASN CB C 13 38.547 0.2 . 1 . . . . 93 ASN CB . 16163 1 1149 . 1 1 93 93 ASN N N 15 123.235 0.2 . 1 . . . . 93 ASN N . 16163 1 1150 . 1 1 93 93 ASN ND2 N 15 110.889 0.2 . 1 . . . . 93 ASN ND2 . 16163 1 1151 . 1 1 94 94 LEU H H 1 8.675 0.02 . 1 . . . . 94 LEU H . 16163 1 1152 . 1 1 94 94 LEU HA H 1 5.429 0.02 . 1 . . . . 94 LEU HA . 16163 1 1153 . 1 1 94 94 LEU HB2 H 1 1.863 0.02 . 1 . . . . 94 LEU HB2 . 16163 1 1154 . 1 1 94 94 LEU HB3 H 1 1.137 0.02 . 1 . . . . 94 LEU HB3 . 16163 1 1155 . 1 1 94 94 LEU HD11 H 1 0.322 0.02 . 1 . . . . 94 LEU HD11 . 16163 1 1156 . 1 1 94 94 LEU HD12 H 1 0.322 0.02 . 1 . . . . 94 LEU HD12 . 16163 1 1157 . 1 1 94 94 LEU HD13 H 1 0.322 0.02 . 1 . . . . 94 LEU HD13 . 16163 1 1158 . 1 1 94 94 LEU HD21 H 1 0.522 0.02 . 1 . . . . 94 LEU HD21 . 16163 1 1159 . 1 1 94 94 LEU HD22 H 1 0.522 0.02 . 1 . . . . 94 LEU HD22 . 16163 1 1160 . 1 1 94 94 LEU HD23 H 1 0.522 0.02 . 1 . . . . 94 LEU HD23 . 16163 1 1161 . 1 1 94 94 LEU HG H 1 1.404 0.02 . 1 . . . . 94 LEU HG . 16163 1 1162 . 1 1 94 94 LEU C C 13 175.486 0.2 . 1 . . . . 94 LEU C . 16163 1 1163 . 1 1 94 94 LEU CA C 13 53.003 0.2 . 1 . . . . 94 LEU CA . 16163 1 1164 . 1 1 94 94 LEU CB C 13 44.739 0.002 . 1 . . . . 94 LEU CB . 16163 1 1165 . 1 1 94 94 LEU CD1 C 13 23.019 0.2 . 1 . . . . 94 LEU CD1 . 16163 1 1166 . 1 1 94 94 LEU CD2 C 13 26.111 0.2 . 1 . . . . 94 LEU CD2 . 16163 1 1167 . 1 1 94 94 LEU CG C 13 26.742 0.2 . 1 . . . . 94 LEU CG . 16163 1 1168 . 1 1 94 94 LEU N N 15 122.901 0.2 . 1 . . . . 94 LEU N . 16163 1 1169 . 1 1 95 95 LEU H H 1 9.412 0.02 . 1 . . . . 95 LEU H . 16163 1 1170 . 1 1 95 95 LEU HA H 1 5.388 0.02 . 1 . . . . 95 LEU HA . 16163 1 1171 . 1 1 95 95 LEU HB2 H 1 1.987 0.02 . 1 . . . . 95 LEU HB2 . 16163 1 1172 . 1 1 95 95 LEU HB3 H 1 1.628 0.02 . 1 . . . . 95 LEU HB3 . 16163 1 1173 . 1 1 95 95 LEU HD11 H 1 0.860 0.02 . 1 . . . . 95 LEU HD11 . 16163 1 1174 . 1 1 95 95 LEU HD12 H 1 0.860 0.02 . 1 . . . . 95 LEU HD12 . 16163 1 1175 . 1 1 95 95 LEU HD13 H 1 0.860 0.02 . 1 . . . . 95 LEU HD13 . 16163 1 1176 . 1 1 95 95 LEU HD21 H 1 0.820 0.02 . 1 . . . . 95 LEU HD21 . 16163 1 1177 . 1 1 95 95 LEU HD22 H 1 0.820 0.02 . 1 . . . . 95 LEU HD22 . 16163 1 1178 . 1 1 95 95 LEU HD23 H 1 0.820 0.02 . 1 . . . . 95 LEU HD23 . 16163 1 1179 . 1 1 95 95 LEU HG H 1 1.405 0.02 . 1 . . . . 95 LEU HG . 16163 1 1180 . 1 1 95 95 LEU C C 13 174.403 0.2 . 1 . . . . 95 LEU C . 16163 1 1181 . 1 1 95 95 LEU CA C 13 53.155 0.2 . 1 . . . . 95 LEU CA . 16163 1 1182 . 1 1 95 95 LEU CB C 13 46.432 0.002 . 1 . . . . 95 LEU CB . 16163 1 1183 . 1 1 95 95 LEU CD1 C 13 23.606 0.2 . 1 . . . . 95 LEU CD1 . 16163 1 1184 . 1 1 95 95 LEU CD2 C 13 26.312 0.2 . 1 . . . . 95 LEU CD2 . 16163 1 1185 . 1 1 95 95 LEU CG C 13 28.146 0.2 . 1 . . . . 95 LEU CG . 16163 1 1186 . 1 1 95 95 LEU N N 15 126.034 0.2 . 1 . . . . 95 LEU N . 16163 1 1187 . 1 1 96 96 PHE H H 1 9.785 0.02 . 1 . . . . 96 PHE H . 16163 1 1188 . 1 1 96 96 PHE HA H 1 5.817 0.02 . 1 . . . . 96 PHE HA . 16163 1 1189 . 1 1 96 96 PHE HB2 H 1 2.641 0.02 . 1 . . . . 96 PHE HB2 . 16163 1 1190 . 1 1 96 96 PHE HB3 H 1 3.393 0.02 . 1 . . . . 96 PHE HB3 . 16163 1 1191 . 1 1 96 96 PHE HD1 H 1 7.025 0.02 . 3 . . . . 96 PHE HD1 . 16163 1 1192 . 1 1 96 96 PHE HD2 H 1 7.025 0.02 . 3 . . . . 96 PHE HD2 . 16163 1 1193 . 1 1 96 96 PHE HE1 H 1 6.834 0.02 . 3 . . . . 96 PHE HE1 . 16163 1 1194 . 1 1 96 96 PHE HE2 H 1 6.834 0.02 . 3 . . . . 96 PHE HE2 . 16163 1 1195 . 1 1 96 96 PHE C C 13 173.713 0.2 . 1 . . . . 96 PHE C . 16163 1 1196 . 1 1 96 96 PHE CA C 13 54.660 0.2 . 1 . . . . 96 PHE CA . 16163 1 1197 . 1 1 96 96 PHE CB C 13 40.823 0.009 . 1 . . . . 96 PHE CB . 16163 1 1198 . 1 1 96 96 PHE CD1 C 13 131.865 0.2 . 3 . . . . 96 PHE CD1 . 16163 1 1199 . 1 1 96 96 PHE CD2 C 13 131.865 0.2 . 3 . . . . 96 PHE CD2 . 16163 1 1200 . 1 1 96 96 PHE CE1 C 13 132.091 0.2 . 3 . . . . 96 PHE CE1 . 16163 1 1201 . 1 1 96 96 PHE CE2 C 13 132.091 0.2 . 3 . . . . 96 PHE CE2 . 16163 1 1202 . 1 1 96 96 PHE N N 15 129.551 0.2 . 1 . . . . 96 PHE N . 16163 1 1203 . 1 1 97 97 THR H H 1 8.795 0.02 . 1 . . . . 97 THR H . 16163 1 1204 . 1 1 97 97 THR HA H 1 5.060 0.02 . 1 . . . . 97 THR HA . 16163 1 1205 . 1 1 97 97 THR HB H 1 3.938 0.02 . 1 . . . . 97 THR HB . 16163 1 1206 . 1 1 97 97 THR HG21 H 1 1.168 0.02 . 1 . . . . 97 THR HG21 . 16163 1 1207 . 1 1 97 97 THR HG22 H 1 1.168 0.02 . 1 . . . . 97 THR HG22 . 16163 1 1208 . 1 1 97 97 THR HG23 H 1 1.168 0.02 . 1 . . . . 97 THR HG23 . 16163 1 1209 . 1 1 97 97 THR CA C 13 58.788 0.2 . 1 . . . . 97 THR CA . 16163 1 1210 . 1 1 97 97 THR CB C 13 72.428 0.2 . 1 . . . . 97 THR CB . 16163 1 1211 . 1 1 97 97 THR CG2 C 13 18.889 0.2 . 1 . . . . 97 THR CG2 . 16163 1 1212 . 1 1 97 97 THR N N 15 123.835 0.2 . 1 . . . . 97 THR N . 16163 1 1213 . 1 1 98 98 PRO HA H 1 3.590 0.02 . 1 . . . . 98 PRO HA . 16163 1 1214 . 1 1 98 98 PRO HB2 H 1 1.354 0.02 . 1 . . . . 98 PRO HB2 . 16163 1 1215 . 1 1 98 98 PRO HB3 H 1 1.907 0.02 . 1 . . . . 98 PRO HB3 . 16163 1 1216 . 1 1 98 98 PRO HD2 H 1 2.969 0.02 . 1 . . . . 98 PRO HD2 . 16163 1 1217 . 1 1 98 98 PRO HD3 H 1 3.430 0.02 . 1 . . . . 98 PRO HD3 . 16163 1 1218 . 1 1 98 98 PRO HG2 H 1 0.884 0.02 . 1 . . . . 98 PRO HG2 . 16163 1 1219 . 1 1 98 98 PRO HG3 H 1 1.562 0.02 . 1 . . . . 98 PRO HG3 . 16163 1 1220 . 1 1 98 98 PRO C C 13 176.927 0.2 . 1 . . . . 98 PRO C . 16163 1 1221 . 1 1 98 98 PRO CA C 13 62.711 0.2 . 1 . . . . 98 PRO CA . 16163 1 1222 . 1 1 98 98 PRO CB C 13 31.840 0.005 . 1 . . . . 98 PRO CB . 16163 1 1223 . 1 1 98 98 PRO CD C 13 51.977 0.004 . 1 . . . . 98 PRO CD . 16163 1 1224 . 1 1 98 98 PRO CG C 13 27.323 0.006 . 1 . . . . 98 PRO CG . 16163 1 1225 . 1 1 99 99 GLN H H 1 7.928 0.02 . 1 . . . . 99 GLN H . 16163 1 1226 . 1 1 99 99 GLN HA H 1 3.543 0.02 . 1 . . . . 99 GLN HA . 16163 1 1227 . 1 1 99 99 GLN HB2 H 1 1.128 0.02 . 1 . . . . 99 GLN HB2 . 16163 1 1228 . 1 1 99 99 GLN HB3 H 1 1.343 0.02 . 1 . . . . 99 GLN HB3 . 16163 1 1229 . 1 1 99 99 GLN HE21 H 1 6.261 0.02 . 1 . . . . 99 GLN HE21 . 16163 1 1230 . 1 1 99 99 GLN HE22 H 1 6.204 0.02 . 1 . . . . 99 GLN HE22 . 16163 1 1231 . 1 1 99 99 GLN HG2 H 1 1.376 0.02 . 1 . . . . 99 GLN HG2 . 16163 1 1232 . 1 1 99 99 GLN HG3 H 1 0.407 0.02 . 1 . . . . 99 GLN HG3 . 16163 1 1233 . 1 1 99 99 GLN C C 13 176.698 0.2 . 1 . . . . 99 GLN C . 16163 1 1234 . 1 1 99 99 GLN CA C 13 57.413 0.2 . 1 . . . . 99 GLN CA . 16163 1 1235 . 1 1 99 99 GLN CB C 13 30.283 0.012 . 1 . . . . 99 GLN CB . 16163 1 1236 . 1 1 99 99 GLN CG C 13 34.543 0.012 . 1 . . . . 99 GLN CG . 16163 1 1237 . 1 1 99 99 GLN N N 15 123.460 0.2 . 1 . . . . 99 GLN N . 16163 1 1238 . 1 1 99 99 GLN NE2 N 15 108.906 0.2 . 1 . . . . 99 GLN NE2 . 16163 1 1239 . 1 1 100 100 HIS H H 1 8.910 0.02 . 1 . . . . 100 HIS H . 16163 1 1240 . 1 1 100 100 HIS HA H 1 4.465 0.02 . 1 . . . . 100 HIS HA . 16163 1 1241 . 1 1 100 100 HIS HB2 H 1 3.116 0.02 . 1 . . . . 100 HIS HB2 . 16163 1 1242 . 1 1 100 100 HIS HB3 H 1 3.011 0.02 . 1 . . . . 100 HIS HB3 . 16163 1 1243 . 1 1 100 100 HIS HD2 H 1 7.111 0.02 . 1 . . . . 100 HIS HD2 . 16163 1 1244 . 1 1 100 100 HIS C C 13 173.955 0.2 . 1 . . . . 100 HIS C . 16163 1 1245 . 1 1 100 100 HIS CA C 13 55.866 0.2 . 1 . . . . 100 HIS CA . 16163 1 1246 . 1 1 100 100 HIS CB C 13 28.054 0.001 . 1 . . . . 100 HIS CB . 16163 1 1247 . 1 1 100 100 HIS CD2 C 13 120.459 0.2 . 1 . . . . 100 HIS CD2 . 16163 1 1248 . 1 1 100 100 HIS N N 15 117.472 0.2 . 1 . . . . 100 HIS N . 16163 1 1249 . 1 1 101 101 LYS H H 1 7.909 0.02 . 1 . . . . 101 LYS H . 16163 1 1250 . 1 1 101 101 LYS HA H 1 4.169 0.02 . 1 . . . . 101 LYS HA . 16163 1 1251 . 1 1 101 101 LYS HB2 H 1 1.550 0.02 . 1 . . . . 101 LYS HB2 . 16163 1 1252 . 1 1 101 101 LYS HB3 H 1 1.702 0.02 . 1 . . . . 101 LYS HB3 . 16163 1 1253 . 1 1 101 101 LYS HD2 H 1 1.495 0.02 . 1 . . . . 101 LYS HD2 . 16163 1 1254 . 1 1 101 101 LYS HD3 H 1 1.495 0.02 . 1 . . . . 101 LYS HD3 . 16163 1 1255 . 1 1 101 101 LYS HE2 H 1 2.832 0.02 . 1 . . . . 101 LYS HE2 . 16163 1 1256 . 1 1 101 101 LYS HE3 H 1 2.832 0.02 . 1 . . . . 101 LYS HE3 . 16163 1 1257 . 1 1 101 101 LYS HG2 H 1 1.232 0.02 . 1 . . . . 101 LYS HG2 . 16163 1 1258 . 1 1 101 101 LYS HG3 H 1 1.232 0.02 . 1 . . . . 101 LYS HG3 . 16163 1 1259 . 1 1 101 101 LYS C C 13 175.547 0.2 . 1 . . . . 101 LYS C . 16163 1 1260 . 1 1 101 101 LYS CA C 13 56.253 0.2 . 1 . . . . 101 LYS CA . 16163 1 1261 . 1 1 101 101 LYS CB C 13 33.032 0.004 . 1 . . . . 101 LYS CB . 16163 1 1262 . 1 1 101 101 LYS CD C 13 28.981 0.2 . 1 . . . . 101 LYS CD . 16163 1 1263 . 1 1 101 101 LYS CE C 13 42.080 0.2 . 1 . . . . 101 LYS CE . 16163 1 1264 . 1 1 101 101 LYS CG C 13 24.627 0.2 . 1 . . . . 101 LYS CG . 16163 1 1265 . 1 1 101 101 LYS N N 15 121.366 0.2 . 1 . . . . 101 LYS N . 16163 1 1266 . 1 1 102 102 MET H H 1 7.877 0.02 . 1 . . . . 102 MET H . 16163 1 1267 . 1 1 102 102 MET HA H 1 4.129 0.02 . 1 . . . . 102 MET HA . 16163 1 1268 . 1 1 102 102 MET HB2 H 1 1.905 0.02 . 1 . . . . 102 MET HB2 . 16163 1 1269 . 1 1 102 102 MET HB3 H 1 1.779 0.02 . 1 . . . . 102 MET HB3 . 16163 1 1270 . 1 1 102 102 MET HE1 H 1 2.046 0.02 . 1 . . . . 102 MET HE1 . 16163 1 1271 . 1 1 102 102 MET HE2 H 1 2.046 0.02 . 1 . . . . 102 MET HE2 . 16163 1 1272 . 1 1 102 102 MET HE3 H 1 2.046 0.02 . 1 . . . . 102 MET HE3 . 16163 1 1273 . 1 1 102 102 MET HG2 H 1 2.310 0.02 . 1 . . . . 102 MET HG2 . 16163 1 1274 . 1 1 102 102 MET HG3 H 1 2.261 0.02 . 1 . . . . 102 MET HG3 . 16163 1 1275 . 1 1 102 102 MET CA C 13 57.003 0.2 . 1 . . . . 102 MET CA . 16163 1 1276 . 1 1 102 102 MET CB C 13 33.767 0.002 . 1 . . . . 102 MET CB . 16163 1 1277 . 1 1 102 102 MET CE C 13 16.680 0.2 . 1 . . . . 102 MET CE . 16163 1 1278 . 1 1 102 102 MET CG C 13 32.269 0.001 . 1 . . . . 102 MET CG . 16163 1 1279 . 1 1 102 102 MET N N 15 127.420 0.2 . 1 . . . . 102 MET N . 16163 1 stop_ save_