data_6452 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6452 _Entry.Title ; 1H, 13C and 15N resonance assignments of the PDZ domain of CLP-36 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-30 _Entry.Accession_date 2005-01-03 _Entry.Last_release_date 2008-09-29 _Entry.Original_release_date 2008-09-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kasper Kowalski . . . 6452 2 Anita Merkel . L. . 6452 3 Grant Booker . W. . 6452 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6452 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 563 6452 '13C chemical shifts' 317 6452 '15N chemical shifts' 93 6452 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 . . 2008-09-29 2004-12-30 original author . 6452 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6452 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments of the PDZ domain of CLP-36' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kasper Kowalski . . . 6452 1 2 Anita Merkel . L. . 6452 1 3 Grant Booker . W. . 6452 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PDZ domain' 6452 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_CLP-36 _Assembly.Sf_category assembly _Assembly.Sf_framecode CLP-36 _Assembly.Entry_ID 6452 _Assembly.ID 1 _Assembly.Name 'CLP-36 PDZ' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6452 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CLP-36 PDZ' 1 $CLP-36_PDZ . . . native . . . . . 6452 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CLP-36 PDZ' system 6452 1 CLP-36 abbreviation 6452 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CLP-36_PDZ _Entity.Sf_category entity _Entity.Sf_framecode CLP-36_PDZ _Entity.Entry_ID 6452 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CLP-36 PDZ' _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 ; MTTQQIDLQGPGPWGFRLVG GKDFEQPLAISRVTPGSKAA LANLCIGDVITAIDGENTSN MTHLEAQNRIKGCTDNLTLT VARSEH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2PKT . "Crystal Structure Of The Human Clp-36 (Pdlim1) Bound To The C-Terminal Peptide Of Human Alpha-Actinin-1" . . . . . 100.00 91 100.00 100.00 3.93e-56 . . . . 6452 1 2 no DBJ BAG37323 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 329 100.00 100.00 4.10e-53 . . . . 6452 1 3 no DBJ BAG73517 . "PDZ and LIM domain 1 [synthetic construct]" . . . . . 100.00 329 100.00 100.00 4.10e-53 . . . . 6452 1 4 no EMBL CAC32846 . "CLP-36 protein [Homo sapiens]" . . . . . 100.00 329 100.00 100.00 4.10e-53 . . . . 6452 1 5 no GB AAC05580 . "carboxyl terminal LIM domain protein [Homo sapiens]" . . . . . 100.00 329 98.84 98.84 5.42e-52 . . . . 6452 1 6 no GB AAH00915 . "PDZ and LIM domain 1 [Homo sapiens]" . . . . . 100.00 329 100.00 100.00 4.10e-53 . . . . 6452 1 7 no GB AAH18755 . "PDZ and LIM domain 1 [Homo sapiens]" . . . . . 100.00 329 100.00 100.00 4.10e-53 . . . . 6452 1 8 no GB AAW82438 . "PDZ and LIM domain 1 (elfin) [Homo sapiens]" . . . . . 100.00 329 100.00 100.00 4.10e-53 . . . . 6452 1 9 no GB ABZ92393 . "PDZ and LIM domain 1 (elfin) [synthetic construct]" . . . . . 100.00 329 100.00 100.00 4.10e-53 . . . . 6452 1 10 no REF NP_066272 . "PDZ and LIM domain protein 1 [Homo sapiens]" . . . . . 100.00 329 100.00 100.00 4.10e-53 . . . . 6452 1 11 no REF XP_001099155 . "PREDICTED: PDZ and LIM domain protein 1 [Macaca mulatta]" . . . . . 100.00 330 97.67 98.84 2.46e-51 . . . . 6452 1 12 no REF XP_002821059 . "PREDICTED: PDZ and LIM domain protein 1 [Pongo abelii]" . . . . . 100.00 329 98.84 98.84 9.88e-52 . . . . 6452 1 13 no REF XP_003255301 . "PREDICTED: PDZ and LIM domain protein 1 isoform 1 [Nomascus leucogenys]" . . . . . 100.00 329 97.67 98.84 4.66e-51 . . . . 6452 1 14 no REF XP_003904083 . "PREDICTED: PDZ and LIM domain protein 1 [Papio anubis]" . . . . . 100.00 330 97.67 98.84 2.46e-51 . . . . 6452 1 15 no SP O00151 . "RecName: Full=PDZ and LIM domain protein 1; AltName: Full=C-terminal LIM domain protein 1; AltName: Full=Elfin; AltName: Full=L" . . . . . 100.00 329 100.00 100.00 4.10e-53 . . . . 6452 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CLP-36 PDZ' common 6452 1 'CLP-36 PDZ' abbreviation 6452 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6452 1 2 . THR . 6452 1 3 . THR . 6452 1 4 . GLN . 6452 1 5 . GLN . 6452 1 6 . ILE . 6452 1 7 . ASP . 6452 1 8 . LEU . 6452 1 9 . GLN . 6452 1 10 . GLY . 6452 1 11 . PRO . 6452 1 12 . GLY . 6452 1 13 . PRO . 6452 1 14 . TRP . 6452 1 15 . GLY . 6452 1 16 . PHE . 6452 1 17 . ARG . 6452 1 18 . LEU . 6452 1 19 . VAL . 6452 1 20 . GLY . 6452 1 21 . GLY . 6452 1 22 . LYS . 6452 1 23 . ASP . 6452 1 24 . PHE . 6452 1 25 . GLU . 6452 1 26 . GLN . 6452 1 27 . PRO . 6452 1 28 . LEU . 6452 1 29 . ALA . 6452 1 30 . ILE . 6452 1 31 . SER . 6452 1 32 . ARG . 6452 1 33 . VAL . 6452 1 34 . THR . 6452 1 35 . PRO . 6452 1 36 . GLY . 6452 1 37 . SER . 6452 1 38 . LYS . 6452 1 39 . ALA . 6452 1 40 . ALA . 6452 1 41 . LEU . 6452 1 42 . ALA . 6452 1 43 . ASN . 6452 1 44 . LEU . 6452 1 45 . CYS . 6452 1 46 . ILE . 6452 1 47 . GLY . 6452 1 48 . ASP . 6452 1 49 . VAL . 6452 1 50 . ILE . 6452 1 51 . THR . 6452 1 52 . ALA . 6452 1 53 . ILE . 6452 1 54 . ASP . 6452 1 55 . GLY . 6452 1 56 . GLU . 6452 1 57 . ASN . 6452 1 58 . THR . 6452 1 59 . SER . 6452 1 60 . ASN . 6452 1 61 . MET . 6452 1 62 . THR . 6452 1 63 . HIS . 6452 1 64 . LEU . 6452 1 65 . GLU . 6452 1 66 . ALA . 6452 1 67 . GLN . 6452 1 68 . ASN . 6452 1 69 . ARG . 6452 1 70 . ILE . 6452 1 71 . LYS . 6452 1 72 . GLY . 6452 1 73 . CYS . 6452 1 74 . THR . 6452 1 75 . ASP . 6452 1 76 . ASN . 6452 1 77 . LEU . 6452 1 78 . THR . 6452 1 79 . LEU . 6452 1 80 . THR . 6452 1 81 . VAL . 6452 1 82 . ALA . 6452 1 83 . ARG . 6452 1 84 . SER . 6452 1 85 . GLU . 6452 1 86 . HIS . 6452 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6452 1 . THR 2 2 6452 1 . THR 3 3 6452 1 . GLN 4 4 6452 1 . GLN 5 5 6452 1 . ILE 6 6 6452 1 . ASP 7 7 6452 1 . LEU 8 8 6452 1 . GLN 9 9 6452 1 . GLY 10 10 6452 1 . PRO 11 11 6452 1 . GLY 12 12 6452 1 . PRO 13 13 6452 1 . TRP 14 14 6452 1 . GLY 15 15 6452 1 . PHE 16 16 6452 1 . ARG 17 17 6452 1 . LEU 18 18 6452 1 . VAL 19 19 6452 1 . GLY 20 20 6452 1 . GLY 21 21 6452 1 . LYS 22 22 6452 1 . ASP 23 23 6452 1 . PHE 24 24 6452 1 . GLU 25 25 6452 1 . GLN 26 26 6452 1 . PRO 27 27 6452 1 . LEU 28 28 6452 1 . ALA 29 29 6452 1 . ILE 30 30 6452 1 . SER 31 31 6452 1 . ARG 32 32 6452 1 . VAL 33 33 6452 1 . THR 34 34 6452 1 . PRO 35 35 6452 1 . GLY 36 36 6452 1 . SER 37 37 6452 1 . LYS 38 38 6452 1 . ALA 39 39 6452 1 . ALA 40 40 6452 1 . LEU 41 41 6452 1 . ALA 42 42 6452 1 . ASN 43 43 6452 1 . LEU 44 44 6452 1 . CYS 45 45 6452 1 . ILE 46 46 6452 1 . GLY 47 47 6452 1 . ASP 48 48 6452 1 . VAL 49 49 6452 1 . ILE 50 50 6452 1 . THR 51 51 6452 1 . ALA 52 52 6452 1 . ILE 53 53 6452 1 . ASP 54 54 6452 1 . GLY 55 55 6452 1 . GLU 56 56 6452 1 . ASN 57 57 6452 1 . THR 58 58 6452 1 . SER 59 59 6452 1 . ASN 60 60 6452 1 . MET 61 61 6452 1 . THR 62 62 6452 1 . HIS 63 63 6452 1 . LEU 64 64 6452 1 . GLU 65 65 6452 1 . ALA 66 66 6452 1 . GLN 67 67 6452 1 . ASN 68 68 6452 1 . ARG 69 69 6452 1 . ILE 70 70 6452 1 . LYS 71 71 6452 1 . GLY 72 72 6452 1 . CYS 73 73 6452 1 . THR 74 74 6452 1 . ASP 75 75 6452 1 . ASN 76 76 6452 1 . LEU 77 77 6452 1 . THR 78 78 6452 1 . LEU 79 79 6452 1 . THR 80 80 6452 1 . VAL 81 81 6452 1 . ALA 82 82 6452 1 . ARG 83 83 6452 1 . SER 84 84 6452 1 . GLU 85 85 6452 1 . HIS 86 86 6452 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 6452 _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 $CLP-36_PDZ . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6452 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 6452 _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 $CLP-36_PDZ . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6452 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6452 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CLP-36 PDZ' . . . 1 $CLP-36_PDZ . . 0.6 . . mM . . . . 6452 1 2 phosphate . . . . . . . 25 . . mM . . . . 6452 1 3 NaCl . . . . . . . 100 . . mM . . . . 6452 1 4 TCEP . . . . . . . 1 . . mM . . . . 6452 1 5 NaN3 . . . . . . . 0.1 . . % . . . . 6452 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6452 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CLP-36 PDZ' '[U-15N; U-13C]' . . 1 $CLP-36_PDZ . . 0.6 . . mM . . . . 6452 2 2 phosphate . . . . . . . 25 . . mM . . . . 6452 2 3 NaCl . . . . . . . 100 . . mM . . . . 6452 2 4 TCEP . . . . . . . 1 . . mM . . . . 6452 2 5 NaN3 . . . . . . . 0.1 . . % . . . . 6452 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6452 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 6452 1 temperature 298 0.1 K 6452 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6452 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6452 _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 NMR_spectrometer Varian INOVA . 600 . . . 6452 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 6452 _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 '1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6452 1 2 '1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6452 1 3 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6452 1 4 '1H-13C HSQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6452 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6452 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6452 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6452 1 8 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6452 1 9 C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6452 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6452 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6452 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6452 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6452 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-13C HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6452 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6452 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6452 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6452 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name H(CCO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6452 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name C(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6452 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6452 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6452 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6452 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_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts_1 _Assigned_chem_shift_list.Entry_ID 6452 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6452 1 . . 2 $sample_2 . 6452 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 MET H H 1 8.32 0.02 . . . . . . . . . . 6452 1 2 . 1 1 1 1 MET N N 15 120.54 0.1 . . . . . . . . . . 6452 1 3 . 1 1 1 1 MET CA C 13 55.29 0.1 . . . . . . . . . . 6452 1 4 . 1 1 1 1 MET HA H 1 4.70 0.02 . . . . . . . . . . 6452 1 5 . 1 1 1 1 MET C C 13 176.32 0.1 . . . . . . . . . . 6452 1 6 . 1 1 1 1 MET CB C 13 34.61 0.1 . . . . . . . . . . 6452 1 7 . 1 1 1 1 MET HB2 H 1 1.94 0.02 . . . . . . . . . . 6452 1 8 . 1 1 1 1 MET HB3 H 1 1.94 0.02 . . . . . . . . . . 6452 1 9 . 1 1 1 1 MET CG C 13 32.17 0.1 . . . . . . . . . . 6452 1 10 . 1 1 1 1 MET HG2 H 1 2.58 0.02 . . . . . . . . . . 6452 1 11 . 1 1 1 1 MET HG3 H 1 2.46 0.02 . . . . . . . . . . 6452 1 12 . 1 1 2 2 THR H H 1 8.53 0.02 . . . . . . . . . . 6452 1 13 . 1 1 2 2 THR N N 15 116.55 0.1 . . . . . . . . . . 6452 1 14 . 1 1 2 2 THR CA C 13 61.49 0.1 . . . . . . . . . . 6452 1 15 . 1 1 2 2 THR HA H 1 4.53 0.02 . . . . . . . . . . 6452 1 16 . 1 1 2 2 THR C C 13 174.27 0.1 . . . . . . . . . . 6452 1 17 . 1 1 2 2 THR CB C 13 70.37 0.1 . . . . . . . . . . 6452 1 18 . 1 1 2 2 THR HB H 1 4.18 0.02 . . . . . . . . . . 6452 1 19 . 1 1 2 2 THR CG2 C 13 21.64 0.1 . . . . . . . . . . 6452 1 20 . 1 1 2 2 THR HG21 H 1 1.19 0.02 . . . . . . . . . . 6452 1 21 . 1 1 2 2 THR HG22 H 1 1.19 0.02 . . . . . . . . . . 6452 1 22 . 1 1 2 2 THR HG23 H 1 1.19 0.02 . . . . . . . . . . 6452 1 23 . 1 1 3 3 THR H H 1 8.23 0.02 . . . . . . . . . . 6452 1 24 . 1 1 3 3 THR N N 15 116.06 0.1 . . . . . . . . . . 6452 1 25 . 1 1 3 3 THR CA C 13 60.39 0.1 . . . . . . . . . . 6452 1 26 . 1 1 3 3 THR HA H 1 5.34 0.02 . . . . . . . . . . 6452 1 27 . 1 1 3 3 THR C C 13 174.08 0.1 . . . . . . . . . . 6452 1 28 . 1 1 3 3 THR CB C 13 71.53 0.1 . . . . . . . . . . 6452 1 29 . 1 1 3 3 THR HB H 1 3.93 0.02 . . . . . . . . . . 6452 1 30 . 1 1 3 3 THR CG2 C 13 21.63 0.1 . . . . . . . . . . 6452 1 31 . 1 1 3 3 THR HG21 H 1 1.03 0.02 . . . . . . . . . . 6452 1 32 . 1 1 3 3 THR HG22 H 1 1.03 0.02 . . . . . . . . . . 6452 1 33 . 1 1 3 3 THR HG23 H 1 1.03 0.02 . . . . . . . . . . 6452 1 34 . 1 1 4 4 GLN H H 1 8.88 0.02 . . . . . . . . . . 6452 1 35 . 1 1 4 4 GLN N N 15 120.43 0.1 . . . . . . . . . . 6452 1 36 . 1 1 4 4 GLN CA C 13 54.47 0.1 . . . . . . . . . . 6452 1 37 . 1 1 4 4 GLN HA H 1 4.63 0.02 . . . . . . . . . . 6452 1 38 . 1 1 4 4 GLN C C 13 173.53 0.1 . . . . . . . . . . 6452 1 39 . 1 1 4 4 GLN CB C 13 32.84 0.1 . . . . . . . . . . 6452 1 40 . 1 1 4 4 GLN HB2 H 1 1.93 0.02 . . . . . . . . . . 6452 1 41 . 1 1 4 4 GLN HB3 H 1 1.81 0.02 . . . . . . . . . . 6452 1 42 . 1 1 4 4 GLN CG C 13 33.33 0.1 . . . . . . . . . . 6452 1 43 . 1 1 4 4 GLN HG2 H 1 2.19 0.02 . . . . . . . . . . 6452 1 44 . 1 1 4 4 GLN HG3 H 1 2.07 0.02 . . . . . . . . . . 6452 1 45 . 1 1 4 4 GLN NE2 N 15 110.91 0.1 . . . . . . . . . . 6452 1 46 . 1 1 4 4 GLN HE21 H 1 7.35 0.02 . . . . . . . . . . 6452 1 47 . 1 1 4 4 GLN HE22 H 1 6.66 0.02 . . . . . . . . . . 6452 1 48 . 1 1 5 5 GLN H H 1 8.62 0.02 . . . . . . . . . . 6452 1 49 . 1 1 5 5 GLN N N 15 122.70 0.1 . . . . . . . . . . 6452 1 50 . 1 1 5 5 GLN CA C 13 55.06 0.1 . . . . . . . . . . 6452 1 51 . 1 1 5 5 GLN HA H 1 5.03 0.02 . . . . . . . . . . 6452 1 52 . 1 1 5 5 GLN C C 13 175.43 0.1 . . . . . . . . . . 6452 1 53 . 1 1 5 5 GLN CB C 13 30.30 0.1 . . . . . . . . . . 6452 1 54 . 1 1 5 5 GLN HB2 H 1 1.94 0.02 . . . . . . . . . . 6452 1 55 . 1 1 5 5 GLN HB3 H 1 1.85 0.02 . . . . . . . . . . 6452 1 56 . 1 1 5 5 GLN CG C 13 34.17 0.1 . . . . . . . . . . 6452 1 57 . 1 1 5 5 GLN HG2 H 1 2.16 0.02 . . . . . . . . . . 6452 1 58 . 1 1 5 5 GLN HG3 H 1 2.16 0.02 . . . . . . . . . . 6452 1 59 . 1 1 5 5 GLN NE2 N 15 113.74 0.1 . . . . . . . . . . 6452 1 60 . 1 1 5 5 GLN HE21 H 1 7.86 0.02 . . . . . . . . . . 6452 1 61 . 1 1 5 5 GLN HE22 H 1 6.68 0.02 . . . . . . . . . . 6452 1 62 . 1 1 6 6 ILE H H 1 9.25 0.02 . . . . . . . . . . 6452 1 63 . 1 1 6 6 ILE N N 15 127.84 0.1 . . . . . . . . . . 6452 1 64 . 1 1 6 6 ILE CA C 13 59.75 0.1 . . . . . . . . . . 6452 1 65 . 1 1 6 6 ILE HA H 1 4.32 0.02 . . . . . . . . . . 6452 1 66 . 1 1 6 6 ILE C C 13 173.37 0.1 . . . . . . . . . . 6452 1 67 . 1 1 6 6 ILE CB C 13 42.61 0.1 . . . . . . . . . . 6452 1 68 . 1 1 6 6 ILE HB H 1 1.66 0.02 . . . . . . . . . . 6452 1 69 . 1 1 6 6 ILE CG2 C 13 17.53 0.1 . . . . . . . . . . 6452 1 70 . 1 1 6 6 ILE HG21 H 1 0.73 0.02 . . . . . . . . . . 6452 1 71 . 1 1 6 6 ILE HG22 H 1 0.73 0.02 . . . . . . . . . . 6452 1 72 . 1 1 6 6 ILE HG23 H 1 0.73 0.02 . . . . . . . . . . 6452 1 73 . 1 1 6 6 ILE HG12 H 1 1.19 0.02 . . . . . . . . . . 6452 1 74 . 1 1 6 6 ILE HG13 H 1 1.04 0.02 . . . . . . . . . . 6452 1 75 . 1 1 6 6 ILE CD1 C 13 12.04 0.1 . . . . . . . . . . 6452 1 76 . 1 1 6 6 ILE HD11 H 1 0.66 0.02 . . . . . . . . . . 6452 1 77 . 1 1 6 6 ILE HD12 H 1 0.66 0.02 . . . . . . . . . . 6452 1 78 . 1 1 6 6 ILE HD13 H 1 0.66 0.02 . . . . . . . . . . 6452 1 79 . 1 1 7 7 ASP H H 1 8.45 0.02 . . . . . . . . . . 6452 1 80 . 1 1 7 7 ASP N N 15 126.99 0.1 . . . . . . . . . . 6452 1 81 . 1 1 7 7 ASP CA C 13 53.16 0.1 . . . . . . . . . . 6452 1 82 . 1 1 7 7 ASP HA H 1 5.23 0.02 . . . . . . . . . . 6452 1 83 . 1 1 7 7 ASP C C 13 175.05 0.1 . . . . . . . . . . 6452 1 84 . 1 1 7 7 ASP CB C 13 42.77 0.1 . . . . . . . . . . 6452 1 85 . 1 1 7 7 ASP HB2 H 1 2.52 0.02 . . . . . . . . . . 6452 1 86 . 1 1 7 7 ASP HB3 H 1 2.44 0.02 . . . . . . . . . . 6452 1 87 . 1 1 8 8 LEU H H 1 9.04 0.02 . . . . . . . . . . 6452 1 88 . 1 1 8 8 LEU N N 15 123.88 0.1 . . . . . . . . . . 6452 1 89 . 1 1 8 8 LEU CA C 13 53.92 0.1 . . . . . . . . . . 6452 1 90 . 1 1 8 8 LEU HA H 1 4.59 0.02 . . . . . . . . . . 6452 1 91 . 1 1 8 8 LEU C C 13 175.50 0.1 . . . . . . . . . . 6452 1 92 . 1 1 8 8 LEU CB C 13 43.54 0.1 . . . . . . . . . . 6452 1 93 . 1 1 8 8 LEU HB2 H 1 1.40 0.02 . . . . . . . . . . 6452 1 94 . 1 1 8 8 LEU HB3 H 1 1.25 0.02 . . . . . . . . . . 6452 1 95 . 1 1 8 8 LEU HD11 H 1 0.72 0.02 . . . . . . . . . . 6452 1 96 . 1 1 8 8 LEU HD12 H 1 0.72 0.02 . . . . . . . . . . 6452 1 97 . 1 1 8 8 LEU HD13 H 1 0.72 0.02 . . . . . . . . . . 6452 1 98 . 1 1 8 8 LEU CD2 C 13 25.79 0.1 . . . . . . . . . . 6452 1 99 . 1 1 8 8 LEU HD21 H 1 0.60 0.02 . . . . . . . . . . 6452 1 100 . 1 1 8 8 LEU HD22 H 1 0.60 0.02 . . . . . . . . . . 6452 1 101 . 1 1 8 8 LEU HD23 H 1 0.60 0.02 . . . . . . . . . . 6452 1 102 . 1 1 8 8 LEU HG H 1 1.45 0.02 . . . . . . . . . . 6452 1 103 . 1 1 9 9 GLN H H 1 8.68 0.02 . . . . . . . . . . 6452 1 104 . 1 1 9 9 GLN N N 15 123.59 0.1 . . . . . . . . . . 6452 1 105 . 1 1 9 9 GLN CA C 13 55.58 0.1 . . . . . . . . . . 6452 1 106 . 1 1 9 9 GLN HA H 1 4.60 0.02 . . . . . . . . . . 6452 1 107 . 1 1 9 9 GLN C C 13 176.85 0.1 . . . . . . . . . . 6452 1 108 . 1 1 9 9 GLN CB C 13 29.87 0.1 . . . . . . . . . . 6452 1 109 . 1 1 9 9 GLN HB2 H 1 2.17 0.02 . . . . . . . . . . 6452 1 110 . 1 1 9 9 GLN HB3 H 1 2.08 0.02 . . . . . . . . . . 6452 1 111 . 1 1 9 9 GLN CG C 13 34.00 0.1 . . . . . . . . . . 6452 1 112 . 1 1 9 9 GLN HG2 H 1 2.52 0.02 . . . . . . . . . . 6452 1 113 . 1 1 9 9 GLN HG3 H 1 2.52 0.02 . . . . . . . . . . 6452 1 114 . 1 1 9 9 GLN NE2 N 15 113.15 0.1 . . . . . . . . . . 6452 1 115 . 1 1 9 9 GLN HE21 H 1 7.62 0.02 . . . . . . . . . . 6452 1 116 . 1 1 9 9 GLN HE22 H 1 6.84 0.02 . . . . . . . . . . 6452 1 117 . 1 1 10 10 GLY H H 1 8.58 0.02 . . . . . . . . . . 6452 1 118 . 1 1 10 10 GLY N N 15 113.09 0.1 . . . . . . . . . . 6452 1 119 . 1 1 10 10 GLY CA C 13 45.19 0.1 . . . . . . . . . . 6452 1 120 . 1 1 10 10 GLY HA2 H 1 3.96 0.02 . . . . . . . . . . 6452 1 121 . 1 1 10 10 GLY HA3 H 1 3.91 0.02 . . . . . . . . . . 6452 1 122 . 1 1 11 11 PRO CA C 13 62.28 0.1 . . . . . . . . . . 6452 1 123 . 1 1 11 11 PRO C C 13 176.50 0.1 . . . . . . . . . . 6452 1 124 . 1 1 11 11 PRO CB C 13 35.21 0.1 . . . . . . . . . . 6452 1 125 . 1 1 11 11 PRO CD C 13 50.17 0.1 . . . . . . . . . . 6452 1 126 . 1 1 11 11 PRO HD2 H 1 3.49 0.02 . . . . . . . . . . 6452 1 127 . 1 1 11 11 PRO HD3 H 1 3.49 0.02 . . . . . . . . . . 6452 1 128 . 1 1 12 12 GLY H H 1 7.94 0.02 . . . . . . . . . . 6452 1 129 . 1 1 12 12 GLY N N 15 107.17 0.1 . . . . . . . . . . 6452 1 130 . 1 1 12 12 GLY HA2 H 1 2.49 0.02 . . . . . . . . . . 6452 1 131 . 1 1 12 12 GLY HA3 H 1 2.34 0.02 . . . . . . . . . . 6452 1 132 . 1 1 13 13 PRO CA C 13 63.19 0.1 . . . . . . . . . . 6452 1 133 . 1 1 13 13 PRO HA H 1 4.04 0.02 . . . . . . . . . . 6452 1 134 . 1 1 13 13 PRO C C 13 177.52 0.1 . . . . . . . . . . 6452 1 135 . 1 1 13 13 PRO CB C 13 32.10 0.1 . . . . . . . . . . 6452 1 136 . 1 1 13 13 PRO HB2 H 1 2.32 0.02 . . . . . . . . . . 6452 1 137 . 1 1 13 13 PRO HB3 H 1 2.13 0.02 . . . . . . . . . . 6452 1 138 . 1 1 13 13 PRO CG C 13 27.13 0.1 . . . . . . . . . . 6452 1 139 . 1 1 13 13 PRO HG2 H 1 2.23 0.02 . . . . . . . . . . 6452 1 140 . 1 1 13 13 PRO HG3 H 1 1.89 0.02 . . . . . . . . . . 6452 1 141 . 1 1 13 13 PRO CD C 13 50.58 0.1 . . . . . . . . . . 6452 1 142 . 1 1 13 13 PRO HD2 H 1 3.55 0.02 . . . . . . . . . . 6452 1 143 . 1 1 13 13 PRO HD3 H 1 3.38 0.02 . . . . . . . . . . 6452 1 144 . 1 1 14 14 TRP H H 1 8.07 0.02 . . . . . . . . . . 6452 1 145 . 1 1 14 14 TRP N N 15 120.83 0.1 . . . . . . . . . . 6452 1 146 . 1 1 14 14 TRP HA H 1 4.76 0.02 . . . . . . . . . . 6452 1 147 . 1 1 14 14 TRP C C 13 176.47 0.1 . . . . . . . . . . 6452 1 148 . 1 1 14 14 TRP HB2 H 1 3.37 0.02 . . . . . . . . . . 6452 1 149 . 1 1 14 14 TRP HB3 H 1 2.90 0.02 . . . . . . . . . . 6452 1 150 . 1 1 14 14 TRP CD1 C 13 128.19 0.1 . . . . . . . . . . 6452 1 151 . 1 1 14 14 TRP HD1 H 1 7.10 0.02 . . . . . . . . . . 6452 1 152 . 1 1 14 14 TRP NE1 N 15 128.39 0.1 . . . . . . . . . . 6452 1 153 . 1 1 14 14 TRP HE1 H 1 9.82 0.02 . . . . . . . . . . 6452 1 154 . 1 1 14 14 TRP CE3 C 13 119.83 0.1 . . . . . . . . . . 6452 1 155 . 1 1 14 14 TRP HE3 H 1 7.28 0.02 . . . . . . . . . . 6452 1 156 . 1 1 14 14 TRP CZ2 C 13 115.31 0.1 . . . . . . . . . . 6452 1 157 . 1 1 14 14 TRP HZ2 H 1 7.35 0.02 . . . . . . . . . . 6452 1 158 . 1 1 14 14 TRP CZ3 C 13 122.18 0.1 . . . . . . . . . . 6452 1 159 . 1 1 14 14 TRP HZ3 H 1 6.61 0.02 . . . . . . . . . . 6452 1 160 . 1 1 14 14 TRP CH2 C 13 124.58 0.1 . . . . . . . . . . 6452 1 161 . 1 1 14 14 TRP HH2 H 1 6.77 0.02 . . . . . . . . . . 6452 1 162 . 1 1 15 15 GLY H H 1 8.24 0.02 . . . . . . . . . . 6452 1 163 . 1 1 15 15 GLY N N 15 102.97 0.1 . . . . . . . . . . 6452 1 164 . 1 1 15 15 GLY CA C 13 45.71 0.1 . . . . . . . . . . 6452 1 165 . 1 1 15 15 GLY HA2 H 1 4.73 0.02 . . . . . . . . . . 6452 1 166 . 1 1 15 15 GLY HA3 H 1 3.87 0.02 . . . . . . . . . . 6452 1 167 . 1 1 15 15 GLY C C 13 173.37 0.1 . . . . . . . . . . 6452 1 168 . 1 1 16 16 PHE H H 1 7.05 0.02 . . . . . . . . . . 6452 1 169 . 1 1 16 16 PHE N N 15 112.23 0.1 . . . . . . . . . . 6452 1 170 . 1 1 16 16 PHE CA C 13 54.68 0.1 . . . . . . . . . . 6452 1 171 . 1 1 16 16 PHE HA H 1 5.84 0.02 . . . . . . . . . . 6452 1 172 . 1 1 16 16 PHE C C 13 173.77 0.1 . . . . . . . . . . 6452 1 173 . 1 1 16 16 PHE CB C 13 42.30 0.1 . . . . . . . . . . 6452 1 174 . 1 1 16 16 PHE HB2 H 1 3.35 0.02 . . . . . . . . . . 6452 1 175 . 1 1 16 16 PHE HB3 H 1 2.69 0.02 . . . . . . . . . . 6452 1 176 . 1 1 16 16 PHE CD1 C 13 132.00 0.1 . . . . . . . . . . 6452 1 177 . 1 1 16 16 PHE HD1 H 1 6.88 0.02 . . . . . . . . . . 6452 1 178 . 1 1 16 16 PHE CD2 C 13 132.00 0.1 . . . . . . . . . . 6452 1 179 . 1 1 16 16 PHE HD2 H 1 6.88 0.02 . . . . . . . . . . 6452 1 180 . 1 1 16 16 PHE CE1 C 13 132.00 0.1 . . . . . . . . . . 6452 1 181 . 1 1 16 16 PHE HE1 H 1 6.90 0.02 . . . . . . . . . . 6452 1 182 . 1 1 16 16 PHE CE2 C 13 132.00 0.1 . . . . . . . . . . 6452 1 183 . 1 1 16 16 PHE HE2 H 1 6.90 0.02 . . . . . . . . . . 6452 1 184 . 1 1 16 16 PHE HZ H 1 6.88 0.02 . . . . . . . . . . 6452 1 185 . 1 1 17 17 ARG H H 1 8.25 0.02 . . . . . . . . . . 6452 1 186 . 1 1 17 17 ARG N N 15 119.69 0.1 . . . . . . . . . . 6452 1 187 . 1 1 17 17 ARG CA C 13 54.14 0.1 . . . . . . . . . . 6452 1 188 . 1 1 17 17 ARG HA H 1 4.83 0.02 . . . . . . . . . . 6452 1 189 . 1 1 17 17 ARG C C 13 175.24 0.1 . . . . . . . . . . 6452 1 190 . 1 1 17 17 ARG CB C 13 34.15 0.1 . . . . . . . . . . 6452 1 191 . 1 1 17 17 ARG HB2 H 1 1.64 0.02 . . . . . . . . . . 6452 1 192 . 1 1 17 17 ARG HB3 H 1 1.64 0.02 . . . . . . . . . . 6452 1 193 . 1 1 17 17 ARG HG2 H 1 1.89 0.02 . . . . . . . . . . 6452 1 194 . 1 1 17 17 ARG HG3 H 1 1.89 0.02 . . . . . . . . . . 6452 1 195 . 1 1 17 17 ARG CD C 13 43.38 0.1 . . . . . . . . . . 6452 1 196 . 1 1 17 17 ARG HD2 H 1 3.16 0.02 . . . . . . . . . . 6452 1 197 . 1 1 17 17 ARG HD3 H 1 3.16 0.02 . . . . . . . . . . 6452 1 198 . 1 1 18 18 LEU H H 1 8.81 0.02 . . . . . . . . . . 6452 1 199 . 1 1 18 18 LEU N N 15 122.54 0.1 . . . . . . . . . . 6452 1 200 . 1 1 18 18 LEU CA C 13 53.71 0.1 . . . . . . . . . . 6452 1 201 . 1 1 18 18 LEU HA H 1 5.50 0.02 . . . . . . . . . . 6452 1 202 . 1 1 18 18 LEU C C 13 177.00 0.1 . . . . . . . . . . 6452 1 203 . 1 1 18 18 LEU CB C 13 46.30 0.1 . . . . . . . . . . 6452 1 204 . 1 1 18 18 LEU HB2 H 1 1.65 0.02 . . . . . . . . . . 6452 1 205 . 1 1 18 18 LEU HB3 H 1 1.37 0.02 . . . . . . . . . . 6452 1 206 . 1 1 18 18 LEU CD1 C 13 25.42 0.1 . . . . . . . . . . 6452 1 207 . 1 1 18 18 LEU HD11 H 1 0.73 0.02 . . . . . . . . . . 6452 1 208 . 1 1 18 18 LEU HD12 H 1 0.73 0.02 . . . . . . . . . . 6452 1 209 . 1 1 18 18 LEU HD13 H 1 0.73 0.02 . . . . . . . . . . 6452 1 210 . 1 1 18 18 LEU CD2 C 13 25.42 0.1 . . . . . . . . . . 6452 1 211 . 1 1 18 18 LEU HD21 H 1 0.73 0.02 . . . . . . . . . . 6452 1 212 . 1 1 18 18 LEU HD22 H 1 0.73 0.02 . . . . . . . . . . 6452 1 213 . 1 1 18 18 LEU HD23 H 1 0.73 0.02 . . . . . . . . . . 6452 1 214 . 1 1 18 18 LEU HG H 1 1.69 0.02 . . . . . . . . . . 6452 1 215 . 1 1 19 19 VAL H H 1 9.31 0.02 . . . . . . . . . . 6452 1 216 . 1 1 19 19 VAL N N 15 118.55 0.1 . . . . . . . . . . 6452 1 217 . 1 1 19 19 VAL CA C 13 59.98 0.1 . . . . . . . . . . 6452 1 218 . 1 1 19 19 VAL HA H 1 4.48 0.02 . . . . . . . . . . 6452 1 219 . 1 1 19 19 VAL C C 13 173.84 0.1 . . . . . . . . . . 6452 1 220 . 1 1 19 19 VAL CB C 13 35.99 0.1 . . . . . . . . . . 6452 1 221 . 1 1 19 19 VAL HB H 1 1.99 0.02 . . . . . . . . . . 6452 1 222 . 1 1 19 19 VAL HG11 H 1 0.84 0.02 . . . . . . . . . . 6452 1 223 . 1 1 19 19 VAL HG12 H 1 0.84 0.02 . . . . . . . . . . 6452 1 224 . 1 1 19 19 VAL HG13 H 1 0.84 0.02 . . . . . . . . . . 6452 1 225 . 1 1 19 19 VAL CG2 C 13 20.82 0.1 . . . . . . . . . . 6452 1 226 . 1 1 19 19 VAL HG21 H 1 0.80 0.02 . . . . . . . . . . 6452 1 227 . 1 1 19 19 VAL HG22 H 1 0.80 0.02 . . . . . . . . . . 6452 1 228 . 1 1 19 19 VAL HG23 H 1 0.80 0.02 . . . . . . . . . . 6452 1 229 . 1 1 20 20 GLY H H 1 8.02 0.02 . . . . . . . . . . 6452 1 230 . 1 1 20 20 GLY N N 15 107.00 0.1 . . . . . . . . . . 6452 1 231 . 1 1 20 20 GLY CA C 13 44.62 0.1 . . . . . . . . . . 6452 1 232 . 1 1 20 20 GLY HA2 H 1 4.62 0.02 . . . . . . . . . . 6452 1 233 . 1 1 20 20 GLY HA3 H 1 3.27 0.02 . . . . . . . . . . 6452 1 234 . 1 1 20 20 GLY C C 13 173.23 0.1 . . . . . . . . . . 6452 1 235 . 1 1 21 21 GLY H H 1 7.74 0.02 . . . . . . . . . . 6452 1 236 . 1 1 21 21 GLY N N 15 104.10 0.1 . . . . . . . . . . 6452 1 237 . 1 1 21 21 GLY CA C 13 43.46 0.1 . . . . . . . . . . 6452 1 238 . 1 1 21 21 GLY HA2 H 1 4.91 0.02 . . . . . . . . . . 6452 1 239 . 1 1 21 21 GLY HA3 H 1 4.09 0.02 . . . . . . . . . . 6452 1 240 . 1 1 21 21 GLY C C 13 176.35 0.1 . . . . . . . . . . 6452 1 241 . 1 1 22 22 LYS H H 1 8.85 0.02 . . . . . . . . . . 6452 1 242 . 1 1 22 22 LYS N N 15 122.53 0.1 . . . . . . . . . . 6452 1 243 . 1 1 22 22 LYS CA C 13 59.70 0.1 . . . . . . . . . . 6452 1 244 . 1 1 22 22 LYS HA H 1 4.24 0.02 . . . . . . . . . . 6452 1 245 . 1 1 22 22 LYS C C 13 178.58 0.1 . . . . . . . . . . 6452 1 246 . 1 1 22 22 LYS CB C 13 32.79 0.1 . . . . . . . . . . 6452 1 247 . 1 1 22 22 LYS HB2 H 1 1.80 0.02 . . . . . . . . . . 6452 1 248 . 1 1 22 22 LYS HB3 H 1 1.42 0.02 . . . . . . . . . . 6452 1 249 . 1 1 22 22 LYS HG2 H 1 1.35 0.02 . . . . . . . . . . 6452 1 250 . 1 1 22 22 LYS HG3 H 1 1.35 0.02 . . . . . . . . . . 6452 1 251 . 1 1 22 22 LYS CD C 13 29.27 0.1 . . . . . . . . . . 6452 1 252 . 1 1 22 22 LYS HD2 H 1 1.66 0.02 . . . . . . . . . . 6452 1 253 . 1 1 22 22 LYS HD3 H 1 1.66 0.02 . . . . . . . . . . 6452 1 254 . 1 1 22 22 LYS CE C 13 42.27 0.1 . . . . . . . . . . 6452 1 255 . 1 1 22 22 LYS HE2 H 1 2.97 0.02 . . . . . . . . . . 6452 1 256 . 1 1 22 22 LYS HE3 H 1 2.97 0.02 . . . . . . . . . . 6452 1 257 . 1 1 23 23 ASP H H 1 10.83 0.02 . . . . . . . . . . 6452 1 258 . 1 1 23 23 ASP N N 15 113.74 0.1 . . . . . . . . . . 6452 1 259 . 1 1 23 23 ASP CA C 13 54.20 0.1 . . . . . . . . . . 6452 1 260 . 1 1 23 23 ASP HA H 1 4.29 0.02 . . . . . . . . . . 6452 1 261 . 1 1 23 23 ASP C C 13 176.11 0.1 . . . . . . . . . . 6452 1 262 . 1 1 23 23 ASP CB C 13 36.70 0.1 . . . . . . . . . . 6452 1 263 . 1 1 23 23 ASP HB2 H 1 2.69 0.02 . . . . . . . . . . 6452 1 264 . 1 1 23 23 ASP HB3 H 1 2.47 0.02 . . . . . . . . . . 6452 1 265 . 1 1 24 24 PHE H H 1 7.83 0.02 . . . . . . . . . . 6452 1 266 . 1 1 24 24 PHE N N 15 118.23 0.1 . . . . . . . . . . 6452 1 267 . 1 1 24 24 PHE CA C 13 58.05 0.1 . . . . . . . . . . 6452 1 268 . 1 1 24 24 PHE HA H 1 4.52 0.02 . . . . . . . . . . 6452 1 269 . 1 1 24 24 PHE C C 13 174.36 0.1 . . . . . . . . . . 6452 1 270 . 1 1 24 24 PHE CB C 13 40.70 0.1 . . . . . . . . . . 6452 1 271 . 1 1 24 24 PHE HB2 H 1 3.45 0.02 . . . . . . . . . . 6452 1 272 . 1 1 24 24 PHE HB3 H 1 2.66 0.02 . . . . . . . . . . 6452 1 273 . 1 1 24 24 PHE CD1 C 13 131.76 0.1 . . . . . . . . . . 6452 1 274 . 1 1 24 24 PHE HD1 H 1 7.16 0.02 . . . . . . . . . . 6452 1 275 . 1 1 24 24 PHE CD2 C 13 131.76 0.1 . . . . . . . . . . 6452 1 276 . 1 1 24 24 PHE HD2 H 1 7.16 0.02 . . . . . . . . . . 6452 1 277 . 1 1 24 24 PHE CE1 C 13 131.76 0.1 . . . . . . . . . . 6452 1 278 . 1 1 24 24 PHE HE1 H 1 7.20 0.02 . . . . . . . . . . 6452 1 279 . 1 1 24 24 PHE CE2 C 13 131.76 0.1 . . . . . . . . . . 6452 1 280 . 1 1 24 24 PHE HE2 H 1 7.20 0.02 . . . . . . . . . . 6452 1 281 . 1 1 24 24 PHE CZ C 13 131.86 0.1 . . . . . . . . . . 6452 1 282 . 1 1 24 24 PHE HZ H 1 7.15 0.02 . . . . . . . . . . 6452 1 283 . 1 1 25 25 GLU H H 1 8.08 0.02 . . . . . . . . . . 6452 1 284 . 1 1 25 25 GLU N N 15 116.54 0.1 . . . . . . . . . . 6452 1 285 . 1 1 25 25 GLU CA C 13 57.29 0.1 . . . . . . . . . . 6452 1 286 . 1 1 25 25 GLU HA H 1 4.00 0.02 . . . . . . . . . . 6452 1 287 . 1 1 25 25 GLU C C 13 174.95 0.1 . . . . . . . . . . 6452 1 288 . 1 1 25 25 GLU CB C 13 27.62 0.1 . . . . . . . . . . 6452 1 289 . 1 1 25 25 GLU HB2 H 1 2.13 0.02 . . . . . . . . . . 6452 1 290 . 1 1 25 25 GLU HB3 H 1 2.13 0.02 . . . . . . . . . . 6452 1 291 . 1 1 25 25 GLU CG C 13 36.49 0.1 . . . . . . . . . . 6452 1 292 . 1 1 25 25 GLU HG2 H 1 2.24 0.02 . . . . . . . . . . 6452 1 293 . 1 1 25 25 GLU HG3 H 1 2.24 0.02 . . . . . . . . . . 6452 1 294 . 1 1 26 26 GLN H H 1 7.35 0.02 . . . . . . . . . . 6452 1 295 . 1 1 26 26 GLN N N 15 115.13 0.1 . . . . . . . . . . 6452 1 296 . 1 1 26 26 GLN CA C 13 52.82 0.1 . . . . . . . . . . 6452 1 297 . 1 1 26 26 GLN HA H 1 4.95 0.02 . . . . . . . . . . 6452 1 298 . 1 1 26 26 GLN CB C 13 32.58 0.1 . . . . . . . . . . 6452 1 299 . 1 1 26 26 GLN HB2 H 1 2.18 0.02 . . . . . . . . . . 6452 1 300 . 1 1 26 26 GLN HB3 H 1 1.74 0.02 . . . . . . . . . . 6452 1 301 . 1 1 26 26 GLN HG2 H 1 2.46 0.02 . . . . . . . . . . 6452 1 302 . 1 1 26 26 GLN HG3 H 1 2.46 0.02 . . . . . . . . . . 6452 1 303 . 1 1 26 26 GLN NE2 N 15 110.91 0.1 . . . . . . . . . . 6452 1 304 . 1 1 26 26 GLN HE21 H 1 7.51 0.02 . . . . . . . . . . 6452 1 305 . 1 1 26 26 GLN HE22 H 1 6.74 0.02 . . . . . . . . . . 6452 1 306 . 1 1 27 27 PRO CA C 13 62.59 0.1 . . . . . . . . . . 6452 1 307 . 1 1 27 27 PRO HA H 1 4.30 0.02 . . . . . . . . . . 6452 1 308 . 1 1 27 27 PRO C C 13 175.31 0.1 . . . . . . . . . . 6452 1 309 . 1 1 27 27 PRO CD C 13 50.83 0.1 . . . . . . . . . . 6452 1 310 . 1 1 27 27 PRO HD2 H 1 3.81 0.02 . . . . . . . . . . 6452 1 311 . 1 1 27 27 PRO HD3 H 1 3.72 0.02 . . . . . . . . . . 6452 1 312 . 1 1 28 28 LEU H H 1 8.21 0.02 . . . . . . . . . . 6452 1 313 . 1 1 28 28 LEU N N 15 123.94 0.1 . . . . . . . . . . 6452 1 314 . 1 1 28 28 LEU CA C 13 54.84 0.1 . . . . . . . . . . 6452 1 315 . 1 1 28 28 LEU HA H 1 4.75 0.02 . . . . . . . . . . 6452 1 316 . 1 1 28 28 LEU C C 13 175.46 0.1 . . . . . . . . . . 6452 1 317 . 1 1 28 28 LEU CB C 13 42.61 0.1 . . . . . . . . . . 6452 1 318 . 1 1 28 28 LEU HB2 H 1 1.74 0.02 . . . . . . . . . . 6452 1 319 . 1 1 28 28 LEU HB3 H 1 1.57 0.02 . . . . . . . . . . 6452 1 320 . 1 1 28 28 LEU CD1 C 13 25.96 0.1 . . . . . . . . . . 6452 1 321 . 1 1 28 28 LEU HD11 H 1 0.86 0.02 . . . . . . . . . . 6452 1 322 . 1 1 28 28 LEU HD12 H 1 0.86 0.02 . . . . . . . . . . 6452 1 323 . 1 1 28 28 LEU HD13 H 1 0.86 0.02 . . . . . . . . . . 6452 1 324 . 1 1 28 28 LEU CD2 C 13 25.10 0.1 . . . . . . . . . . 6452 1 325 . 1 1 28 28 LEU HD21 H 1 0.78 0.02 . . . . . . . . . . 6452 1 326 . 1 1 28 28 LEU HD22 H 1 0.78 0.02 . . . . . . . . . . 6452 1 327 . 1 1 28 28 LEU HD23 H 1 0.78 0.02 . . . . . . . . . . 6452 1 328 . 1 1 29 29 ALA H H 1 8.95 0.02 . . . . . . . . . . 6452 1 329 . 1 1 29 29 ALA N N 15 127.23 0.1 . . . . . . . . . . 6452 1 330 . 1 1 29 29 ALA CA C 13 50.07 0.1 . . . . . . . . . . 6452 1 331 . 1 1 29 29 ALA HA H 1 5.46 0.02 . . . . . . . . . . 6452 1 332 . 1 1 29 29 ALA C C 13 176.46 0.1 . . . . . . . . . . 6452 1 333 . 1 1 29 29 ALA CB C 13 23.39 0.1 . . . . . . . . . . 6452 1 334 . 1 1 29 29 ALA HB1 H 1 1.05 0.02 . . . . . . . . . . 6452 1 335 . 1 1 29 29 ALA HB2 H 1 1.05 0.02 . . . . . . . . . . 6452 1 336 . 1 1 29 29 ALA HB3 H 1 1.05 0.02 . . . . . . . . . . 6452 1 337 . 1 1 30 30 ILE H H 1 8.49 0.02 . . . . . . . . . . 6452 1 338 . 1 1 30 30 ILE N N 15 119.06 0.1 . . . . . . . . . . 6452 1 339 . 1 1 30 30 ILE CA C 13 60.66 0.1 . . . . . . . . . . 6452 1 340 . 1 1 30 30 ILE HA H 1 4.52 0.02 . . . . . . . . . . 6452 1 341 . 1 1 30 30 ILE C C 13 177.85 0.1 . . . . . . . . . . 6452 1 342 . 1 1 30 30 ILE HB H 1 2.11 0.02 . . . . . . . . . . 6452 1 343 . 1 1 30 30 ILE CG2 C 13 19.24 0.1 . . . . . . . . . . 6452 1 344 . 1 1 30 30 ILE HG21 H 1 0.76 0.02 . . . . . . . . . . 6452 1 345 . 1 1 30 30 ILE HG22 H 1 0.76 0.02 . . . . . . . . . . 6452 1 346 . 1 1 30 30 ILE HG23 H 1 0.76 0.02 . . . . . . . . . . 6452 1 347 . 1 1 30 30 ILE HG12 H 1 1.41 0.02 . . . . . . . . . . 6452 1 348 . 1 1 30 30 ILE HG13 H 1 1.08 0.02 . . . . . . . . . . 6452 1 349 . 1 1 30 30 ILE CD1 C 13 12.91 0.1 . . . . . . . . . . 6452 1 350 . 1 1 30 30 ILE HD11 H 1 0.41 0.02 . . . . . . . . . . 6452 1 351 . 1 1 30 30 ILE HD12 H 1 0.41 0.02 . . . . . . . . . . 6452 1 352 . 1 1 30 30 ILE HD13 H 1 0.41 0.02 . . . . . . . . . . 6452 1 353 . 1 1 31 31 SER H H 1 9.38 0.02 . . . . . . . . . . 6452 1 354 . 1 1 31 31 SER N N 15 124.42 0.1 . . . . . . . . . . 6452 1 355 . 1 1 31 31 SER CA C 13 58.20 0.1 . . . . . . . . . . 6452 1 356 . 1 1 31 31 SER HA H 1 4.60 0.02 . . . . . . . . . . 6452 1 357 . 1 1 31 31 SER C C 13 174.45 0.1 . . . . . . . . . . 6452 1 358 . 1 1 31 31 SER CB C 13 64.94 0.1 . . . . . . . . . . 6452 1 359 . 1 1 31 31 SER HB2 H 1 3.93 0.02 . . . . . . . . . . 6452 1 360 . 1 1 31 31 SER HB3 H 1 3.52 0.02 . . . . . . . . . . 6452 1 361 . 1 1 32 32 ARG H H 1 7.28 0.02 . . . . . . . . . . 6452 1 362 . 1 1 32 32 ARG N N 15 121.67 0.1 . . . . . . . . . . 6452 1 363 . 1 1 32 32 ARG CA C 13 56.59 0.1 . . . . . . . . . . 6452 1 364 . 1 1 32 32 ARG HA H 1 4.34 0.02 . . . . . . . . . . 6452 1 365 . 1 1 32 32 ARG C C 13 173.92 0.1 . . . . . . . . . . 6452 1 366 . 1 1 32 32 ARG CB C 13 34.45 0.1 . . . . . . . . . . 6452 1 367 . 1 1 32 32 ARG HB2 H 1 1.62 0.02 . . . . . . . . . . 6452 1 368 . 1 1 32 32 ARG HB3 H 1 1.62 0.02 . . . . . . . . . . 6452 1 369 . 1 1 32 32 ARG HG2 H 1 1.80 0.02 . . . . . . . . . . 6452 1 370 . 1 1 32 32 ARG HG3 H 1 1.80 0.02 . . . . . . . . . . 6452 1 371 . 1 1 32 32 ARG CD C 13 43.57 0.1 . . . . . . . . . . 6452 1 372 . 1 1 32 32 ARG HD2 H 1 3.14 0.02 . . . . . . . . . . 6452 1 373 . 1 1 32 32 ARG HD3 H 1 3.14 0.02 . . . . . . . . . . 6452 1 374 . 1 1 33 33 VAL H H 1 8.29 0.02 . . . . . . . . . . 6452 1 375 . 1 1 33 33 VAL N N 15 123.31 0.1 . . . . . . . . . . 6452 1 376 . 1 1 33 33 VAL CA C 13 61.72 0.1 . . . . . . . . . . 6452 1 377 . 1 1 33 33 VAL HA H 1 4.65 0.02 . . . . . . . . . . 6452 1 378 . 1 1 33 33 VAL C C 13 175.71 0.1 . . . . . . . . . . 6452 1 379 . 1 1 33 33 VAL CB C 13 35.12 0.1 . . . . . . . . . . 6452 1 380 . 1 1 33 33 VAL HB H 1 1.82 0.02 . . . . . . . . . . 6452 1 381 . 1 1 33 33 VAL CG1 C 13 20.81 0.1 . . . . . . . . . . 6452 1 382 . 1 1 33 33 VAL HG11 H 1 0.75 0.02 . . . . . . . . . . 6452 1 383 . 1 1 33 33 VAL HG12 H 1 0.75 0.02 . . . . . . . . . . 6452 1 384 . 1 1 33 33 VAL HG13 H 1 0.75 0.02 . . . . . . . . . . 6452 1 385 . 1 1 33 33 VAL CG2 C 13 21.84 0.1 . . . . . . . . . . 6452 1 386 . 1 1 33 33 VAL HG21 H 1 0.66 0.02 . . . . . . . . . . 6452 1 387 . 1 1 33 33 VAL HG22 H 1 0.66 0.02 . . . . . . . . . . 6452 1 388 . 1 1 33 33 VAL HG23 H 1 0.66 0.02 . . . . . . . . . . 6452 1 389 . 1 1 34 34 THR H H 1 9.33 0.02 . . . . . . . . . . 6452 1 390 . 1 1 34 34 THR N N 15 127.87 0.1 . . . . . . . . . . 6452 1 391 . 1 1 34 34 THR CA C 13 61.43 0.1 . . . . . . . . . . 6452 1 392 . 1 1 34 34 THR HA H 1 4.48 0.02 . . . . . . . . . . 6452 1 393 . 1 1 34 34 THR CB C 13 70.09 0.1 . . . . . . . . . . 6452 1 394 . 1 1 34 34 THR HB H 1 4.02 0.02 . . . . . . . . . . 6452 1 395 . 1 1 34 34 THR HG1 H 1 6.31 0.02 . . . . . . . . . . 6452 1 396 . 1 1 34 34 THR CG2 C 13 21.33 0.1 . . . . . . . . . . 6452 1 397 . 1 1 34 34 THR HG21 H 1 1.37 0.02 . . . . . . . . . . 6452 1 398 . 1 1 34 34 THR HG22 H 1 1.37 0.02 . . . . . . . . . . 6452 1 399 . 1 1 34 34 THR HG23 H 1 1.37 0.02 . . . . . . . . . . 6452 1 400 . 1 1 35 35 PRO CA C 13 64.41 0.1 . . . . . . . . . . 6452 1 401 . 1 1 35 35 PRO HA H 1 4.34 0.02 . . . . . . . . . . 6452 1 402 . 1 1 35 35 PRO C C 13 177.65 0.1 . . . . . . . . . . 6452 1 403 . 1 1 35 35 PRO CB C 13 31.75 0.1 . . . . . . . . . . 6452 1 404 . 1 1 35 35 PRO HB2 H 1 2.35 0.02 . . . . . . . . . . 6452 1 405 . 1 1 35 35 PRO HB3 H 1 1.93 0.02 . . . . . . . . . . 6452 1 406 . 1 1 35 35 PRO CG C 13 27.89 0.1 . . . . . . . . . . 6452 1 407 . 1 1 35 35 PRO CD C 13 51.91 0.1 . . . . . . . . . . 6452 1 408 . 1 1 35 35 PRO HD2 H 1 4.27 0.02 . . . . . . . . . . 6452 1 409 . 1 1 35 35 PRO HD3 H 1 3.77 0.02 . . . . . . . . . . 6452 1 410 . 1 1 36 36 GLY H H 1 8.87 0.02 . . . . . . . . . . 6452 1 411 . 1 1 36 36 GLY N N 15 111.63 0.1 . . . . . . . . . . 6452 1 412 . 1 1 36 36 GLY CA C 13 45.54 0.1 . . . . . . . . . . 6452 1 413 . 1 1 36 36 GLY HA2 H 1 4.13 0.02 . . . . . . . . . . 6452 1 414 . 1 1 36 36 GLY HA3 H 1 3.66 0.02 . . . . . . . . . . 6452 1 415 . 1 1 36 36 GLY C C 13 173.13 0.1 . . . . . . . . . . 6452 1 416 . 1 1 37 37 SER H H 1 7.53 0.02 . . . . . . . . . . 6452 1 417 . 1 1 37 37 SER N N 15 113.96 0.1 . . . . . . . . . . 6452 1 418 . 1 1 37 37 SER CA C 13 57.88 0.1 . . . . . . . . . . 6452 1 419 . 1 1 37 37 SER HA H 1 4.44 0.02 . . . . . . . . . . 6452 1 420 . 1 1 37 37 SER C C 13 174.62 0.1 . . . . . . . . . . 6452 1 421 . 1 1 37 37 SER CB C 13 66.88 0.1 . . . . . . . . . . 6452 1 422 . 1 1 38 38 LYS H H 1 9.10 0.02 . . . . . . . . . . 6452 1 423 . 1 1 38 38 LYS N N 15 119.54 0.1 . . . . . . . . . . 6452 1 424 . 1 1 38 38 LYS CA C 13 60.50 0.1 . . . . . . . . . . 6452 1 425 . 1 1 38 38 LYS HA H 1 4.10 0.02 . . . . . . . . . . 6452 1 426 . 1 1 38 38 LYS C C 13 179.69 0.1 . . . . . . . . . . 6452 1 427 . 1 1 38 38 LYS CB C 13 32.72 0.1 . . . . . . . . . . 6452 1 428 . 1 1 38 38 LYS HB2 H 1 2.27 0.02 . . . . . . . . . . 6452 1 429 . 1 1 38 38 LYS HB3 H 1 2.09 0.02 . . . . . . . . . . 6452 1 430 . 1 1 38 38 LYS HG2 H 1 1.64 0.02 . . . . . . . . . . 6452 1 431 . 1 1 38 38 LYS HG3 H 1 1.64 0.02 . . . . . . . . . . 6452 1 432 . 1 1 38 38 LYS HD2 H 1 1.87 0.02 . . . . . . . . . . 6452 1 433 . 1 1 38 38 LYS HD3 H 1 1.87 0.02 . . . . . . . . . . 6452 1 434 . 1 1 38 38 LYS CE C 13 43.14 0.1 . . . . . . . . . . 6452 1 435 . 1 1 38 38 LYS HE2 H 1 3.08 0.02 . . . . . . . . . . 6452 1 436 . 1 1 38 38 LYS HE3 H 1 3.08 0.02 . . . . . . . . . . 6452 1 437 . 1 1 39 39 ALA H H 1 8.51 0.02 . . . . . . . . . . 6452 1 438 . 1 1 39 39 ALA N N 15 119.64 0.1 . . . . . . . . . . 6452 1 439 . 1 1 39 39 ALA CA C 13 55.40 0.1 . . . . . . . . . . 6452 1 440 . 1 1 39 39 ALA HA H 1 4.00 0.02 . . . . . . . . . . 6452 1 441 . 1 1 39 39 ALA C C 13 177.84 0.1 . . . . . . . . . . 6452 1 442 . 1 1 39 39 ALA CB C 13 20.13 0.1 . . . . . . . . . . 6452 1 443 . 1 1 39 39 ALA HB1 H 1 1.56 0.02 . . . . . . . . . . 6452 1 444 . 1 1 39 39 ALA HB2 H 1 1.56 0.02 . . . . . . . . . . 6452 1 445 . 1 1 39 39 ALA HB3 H 1 1.56 0.02 . . . . . . . . . . 6452 1 446 . 1 1 40 40 ALA H H 1 7.61 0.02 . . . . . . . . . . 6452 1 447 . 1 1 40 40 ALA N N 15 121.10 0.1 . . . . . . . . . . 6452 1 448 . 1 1 40 40 ALA CA C 13 55.04 0.1 . . . . . . . . . . 6452 1 449 . 1 1 40 40 ALA HA H 1 4.09 0.02 . . . . . . . . . . 6452 1 450 . 1 1 40 40 ALA C C 13 182.55 0.1 . . . . . . . . . . 6452 1 451 . 1 1 40 40 ALA CB C 13 18.37 0.1 . . . . . . . . . . 6452 1 452 . 1 1 40 40 ALA HB1 H 1 1.61 0.02 . . . . . . . . . . 6452 1 453 . 1 1 40 40 ALA HB2 H 1 1.61 0.02 . . . . . . . . . . 6452 1 454 . 1 1 40 40 ALA HB3 H 1 1.61 0.02 . . . . . . . . . . 6452 1 455 . 1 1 41 41 LEU H H 1 8.48 0.02 . . . . . . . . . . 6452 1 456 . 1 1 41 41 LEU N N 15 120.79 0.1 . . . . . . . . . . 6452 1 457 . 1 1 41 41 LEU CA C 13 57.29 0.1 . . . . . . . . . . 6452 1 458 . 1 1 41 41 LEU HA H 1 4.12 0.02 . . . . . . . . . . 6452 1 459 . 1 1 41 41 LEU C C 13 178.08 0.1 . . . . . . . . . . 6452 1 460 . 1 1 41 41 LEU CB C 13 41.38 0.1 . . . . . . . . . . 6452 1 461 . 1 1 41 41 LEU HB2 H 1 1.80 0.02 . . . . . . . . . . 6452 1 462 . 1 1 41 41 LEU HB3 H 1 1.64 0.02 . . . . . . . . . . 6452 1 463 . 1 1 41 41 LEU CG C 13 27.68 0.1 . . . . . . . . . . 6452 1 464 . 1 1 41 41 LEU CD1 C 13 24.82 0.1 . . . . . . . . . . 6452 1 465 . 1 1 41 41 LEU HD11 H 1 0.88 0.02 . . . . . . . . . . 6452 1 466 . 1 1 41 41 LEU HD12 H 1 0.88 0.02 . . . . . . . . . . 6452 1 467 . 1 1 41 41 LEU HD13 H 1 0.88 0.02 . . . . . . . . . . 6452 1 468 . 1 1 41 41 LEU CD2 C 13 22.89 0.1 . . . . . . . . . . 6452 1 469 . 1 1 41 41 LEU HD21 H 1 0.72 0.02 . . . . . . . . . . 6452 1 470 . 1 1 41 41 LEU HD22 H 1 0.72 0.02 . . . . . . . . . . 6452 1 471 . 1 1 41 41 LEU HD23 H 1 0.72 0.02 . . . . . . . . . . 6452 1 472 . 1 1 41 41 LEU HG H 1 1.78 0.02 . . . . . . . . . . 6452 1 473 . 1 1 42 42 ALA H H 1 7.39 0.02 . . . . . . . . . . 6452 1 474 . 1 1 42 42 ALA N N 15 120.23 0.1 . . . . . . . . . . 6452 1 475 . 1 1 42 42 ALA CA C 13 51.80 0.1 . . . . . . . . . . 6452 1 476 . 1 1 42 42 ALA HA H 1 4.39 0.02 . . . . . . . . . . 6452 1 477 . 1 1 42 42 ALA C C 13 176.00 0.1 . . . . . . . . . . 6452 1 478 . 1 1 42 42 ALA CB C 13 19.32 0.1 . . . . . . . . . . 6452 1 479 . 1 1 42 42 ALA HB1 H 1 1.39 0.02 . . . . . . . . . . 6452 1 480 . 1 1 42 42 ALA HB2 H 1 1.39 0.02 . . . . . . . . . . 6452 1 481 . 1 1 42 42 ALA HB3 H 1 1.39 0.02 . . . . . . . . . . 6452 1 482 . 1 1 43 43 ASN H H 1 7.93 0.02 . . . . . . . . . . 6452 1 483 . 1 1 43 43 ASN N N 15 112.00 0.1 . . . . . . . . . . 6452 1 484 . 1 1 43 43 ASN CA C 13 54.69 0.1 . . . . . . . . . . 6452 1 485 . 1 1 43 43 ASN HA H 1 4.26 0.02 . . . . . . . . . . 6452 1 486 . 1 1 43 43 ASN C C 13 174.99 0.1 . . . . . . . . . . 6452 1 487 . 1 1 43 43 ASN CB C 13 37.30 0.1 . . . . . . . . . . 6452 1 488 . 1 1 43 43 ASN HB2 H 1 3.11 0.02 . . . . . . . . . . 6452 1 489 . 1 1 43 43 ASN HB3 H 1 2.77 0.02 . . . . . . . . . . 6452 1 490 . 1 1 43 43 ASN ND2 N 15 112.05 0.1 . . . . . . . . . . 6452 1 491 . 1 1 43 43 ASN HD21 H 1 7.41 0.02 . . . . . . . . . . 6452 1 492 . 1 1 43 43 ASN HD22 H 1 6.73 0.02 . . . . . . . . . . 6452 1 493 . 1 1 44 44 LEU H H 1 7.52 0.02 . . . . . . . . . . 6452 1 494 . 1 1 44 44 LEU N N 15 117.38 0.1 . . . . . . . . . . 6452 1 495 . 1 1 44 44 LEU CA C 13 55.66 0.1 . . . . . . . . . . 6452 1 496 . 1 1 44 44 LEU HA H 1 4.10 0.02 . . . . . . . . . . 6452 1 497 . 1 1 44 44 LEU C C 13 175.92 0.1 . . . . . . . . . . 6452 1 498 . 1 1 44 44 LEU CB C 13 42.28 0.1 . . . . . . . . . . 6452 1 499 . 1 1 44 44 LEU HB2 H 1 1.48 0.02 . . . . . . . . . . 6452 1 500 . 1 1 44 44 LEU HB3 H 1 1.37 0.02 . . . . . . . . . . 6452 1 501 . 1 1 44 44 LEU CD1 C 13 24.60 0.1 . . . . . . . . . . 6452 1 502 . 1 1 44 44 LEU HD11 H 1 0.54 0.02 . . . . . . . . . . 6452 1 503 . 1 1 44 44 LEU HD12 H 1 0.54 0.02 . . . . . . . . . . 6452 1 504 . 1 1 44 44 LEU HD13 H 1 0.54 0.02 . . . . . . . . . . 6452 1 505 . 1 1 44 44 LEU CD2 C 13 25.26 0.1 . . . . . . . . . . 6452 1 506 . 1 1 44 44 LEU HD21 H 1 0.50 0.02 . . . . . . . . . . 6452 1 507 . 1 1 44 44 LEU HD22 H 1 0.50 0.02 . . . . . . . . . . 6452 1 508 . 1 1 44 44 LEU HD23 H 1 0.50 0.02 . . . . . . . . . . 6452 1 509 . 1 1 44 44 LEU HG H 1 1.07 0.02 . . . . . . . . . . 6452 1 510 . 1 1 45 45 CYS H H 1 8.59 0.02 . . . . . . . . . . 6452 1 511 . 1 1 45 45 CYS N N 15 119.71 0.1 . . . . . . . . . . 6452 1 512 . 1 1 45 45 CYS CA C 13 57.68 0.1 . . . . . . . . . . 6452 1 513 . 1 1 45 45 CYS HA H 1 4.64 0.02 . . . . . . . . . . 6452 1 514 . 1 1 45 45 CYS C C 13 174.10 0.1 . . . . . . . . . . 6452 1 515 . 1 1 45 45 CYS CB C 13 31.25 0.1 . . . . . . . . . . 6452 1 516 . 1 1 45 45 CYS HB2 H 1 2.71 0.02 . . . . . . . . . . 6452 1 517 . 1 1 45 45 CYS HB3 H 1 2.71 0.02 . . . . . . . . . . 6452 1 518 . 1 1 46 46 ILE H H 1 8.36 0.02 . . . . . . . . . . 6452 1 519 . 1 1 46 46 ILE N N 15 121.42 0.1 . . . . . . . . . . 6452 1 520 . 1 1 46 46 ILE CA C 13 64.07 0.1 . . . . . . . . . . 6452 1 521 . 1 1 46 46 ILE HA H 1 3.32 0.02 . . . . . . . . . . 6452 1 522 . 1 1 46 46 ILE C C 13 177.58 0.1 . . . . . . . . . . 6452 1 523 . 1 1 46 46 ILE CB C 13 37.68 0.1 . . . . . . . . . . 6452 1 524 . 1 1 46 46 ILE HB H 1 1.62 0.02 . . . . . . . . . . 6452 1 525 . 1 1 46 46 ILE CG2 C 13 17.29 0.1 . . . . . . . . . . 6452 1 526 . 1 1 46 46 ILE HG21 H 1 0.94 0.02 . . . . . . . . . . 6452 1 527 . 1 1 46 46 ILE HG22 H 1 0.94 0.02 . . . . . . . . . . 6452 1 528 . 1 1 46 46 ILE HG23 H 1 0.94 0.02 . . . . . . . . . . 6452 1 529 . 1 1 46 46 ILE CD1 C 13 13.84 0.1 . . . . . . . . . . 6452 1 530 . 1 1 46 46 ILE HD11 H 1 0.84 0.02 . . . . . . . . . . 6452 1 531 . 1 1 46 46 ILE HD12 H 1 0.84 0.02 . . . . . . . . . . 6452 1 532 . 1 1 46 46 ILE HD13 H 1 0.84 0.02 . . . . . . . . . . 6452 1 533 . 1 1 47 47 GLY H H 1 9.03 0.02 . . . . . . . . . . 6452 1 534 . 1 1 47 47 GLY N N 15 116.48 0.1 . . . . . . . . . . 6452 1 535 . 1 1 47 47 GLY CA C 13 44.53 0.1 . . . . . . . . . . 6452 1 536 . 1 1 47 47 GLY HA2 H 1 4.36 0.02 . . . . . . . . . . 6452 1 537 . 1 1 47 47 GLY HA3 H 1 3.44 0.02 . . . . . . . . . . 6452 1 538 . 1 1 47 47 GLY C C 13 174.55 0.1 . . . . . . . . . . 6452 1 539 . 1 1 48 48 ASP H H 1 7.90 0.02 . . . . . . . . . . 6452 1 540 . 1 1 48 48 ASP N N 15 123.83 0.1 . . . . . . . . . . 6452 1 541 . 1 1 48 48 ASP CA C 13 56.12 0.1 . . . . . . . . . . 6452 1 542 . 1 1 48 48 ASP HA H 1 4.45 0.02 . . . . . . . . . . 6452 1 543 . 1 1 48 48 ASP C C 13 175.12 0.1 . . . . . . . . . . 6452 1 544 . 1 1 48 48 ASP CB C 13 40.95 0.1 . . . . . . . . . . 6452 1 545 . 1 1 48 48 ASP HB2 H 1 2.66 0.02 . . . . . . . . . . 6452 1 546 . 1 1 48 48 ASP HB3 H 1 2.66 0.02 . . . . . . . . . . 6452 1 547 . 1 1 49 49 VAL H H 1 8.26 0.02 . . . . . . . . . . 6452 1 548 . 1 1 49 49 VAL N N 15 123.56 0.1 . . . . . . . . . . 6452 1 549 . 1 1 49 49 VAL HA H 1 4.53 0.02 . . . . . . . . . . 6452 1 550 . 1 1 49 49 VAL C C 13 176.16 0.1 . . . . . . . . . . 6452 1 551 . 1 1 49 49 VAL CB C 13 33.69 0.1 . . . . . . . . . . 6452 1 552 . 1 1 49 49 VAL HB H 1 2.02 0.02 . . . . . . . . . . 6452 1 553 . 1 1 49 49 VAL CG1 C 13 22.25 0.1 . . . . . . . . . . 6452 1 554 . 1 1 49 49 VAL HG11 H 1 0.98 0.02 . . . . . . . . . . 6452 1 555 . 1 1 49 49 VAL HG12 H 1 0.98 0.02 . . . . . . . . . . 6452 1 556 . 1 1 49 49 VAL HG13 H 1 0.98 0.02 . . . . . . . . . . 6452 1 557 . 1 1 49 49 VAL HG21 H 1 0.88 0.02 . . . . . . . . . . 6452 1 558 . 1 1 49 49 VAL HG22 H 1 0.88 0.02 . . . . . . . . . . 6452 1 559 . 1 1 49 49 VAL HG23 H 1 0.88 0.02 . . . . . . . . . . 6452 1 560 . 1 1 50 50 ILE H H 1 8.70 0.02 . . . . . . . . . . 6452 1 561 . 1 1 50 50 ILE N N 15 126.92 0.1 . . . . . . . . . . 6452 1 562 . 1 1 50 50 ILE CA C 13 59.18 0.1 . . . . . . . . . . 6452 1 563 . 1 1 50 50 ILE HA H 1 4.57 0.02 . . . . . . . . . . 6452 1 564 . 1 1 50 50 ILE C C 13 176.28 0.1 . . . . . . . . . . 6452 1 565 . 1 1 50 50 ILE CB C 13 37.27 0.1 . . . . . . . . . . 6452 1 566 . 1 1 50 50 ILE HB H 1 1.77 0.02 . . . . . . . . . . 6452 1 567 . 1 1 50 50 ILE CG2 C 13 19.50 0.1 . . . . . . . . . . 6452 1 568 . 1 1 50 50 ILE HG21 H 1 0.74 0.02 . . . . . . . . . . 6452 1 569 . 1 1 50 50 ILE HG22 H 1 0.74 0.02 . . . . . . . . . . 6452 1 570 . 1 1 50 50 ILE HG23 H 1 0.74 0.02 . . . . . . . . . . 6452 1 571 . 1 1 50 50 ILE HG12 H 1 1.27 0.02 . . . . . . . . . . 6452 1 572 . 1 1 50 50 ILE HG13 H 1 0.96 0.02 . . . . . . . . . . 6452 1 573 . 1 1 50 50 ILE CD1 C 13 12.89 0.1 . . . . . . . . . . 6452 1 574 . 1 1 50 50 ILE HD11 H 1 0.53 0.02 . . . . . . . . . . 6452 1 575 . 1 1 50 50 ILE HD12 H 1 0.53 0.02 . . . . . . . . . . 6452 1 576 . 1 1 50 50 ILE HD13 H 1 0.53 0.02 . . . . . . . . . . 6452 1 577 . 1 1 51 51 THR H H 1 8.85 0.02 . . . . . . . . . . 6452 1 578 . 1 1 51 51 THR N N 15 121.30 0.1 . . . . . . . . . . 6452 1 579 . 1 1 51 51 THR CA C 13 63.12 0.1 . . . . . . . . . . 6452 1 580 . 1 1 51 51 THR HA H 1 4.25 0.02 . . . . . . . . . . 6452 1 581 . 1 1 51 51 THR C C 13 176.25 0.1 . . . . . . . . . . 6452 1 582 . 1 1 51 51 THR CB C 13 68.37 0.1 . . . . . . . . . . 6452 1 583 . 1 1 51 51 THR HB H 1 3.89 0.02 . . . . . . . . . . 6452 1 584 . 1 1 51 51 THR CG2 C 13 22.76 0.1 . . . . . . . . . . 6452 1 585 . 1 1 51 51 THR HG21 H 1 1.04 0.02 . . . . . . . . . . 6452 1 586 . 1 1 51 51 THR HG22 H 1 1.04 0.02 . . . . . . . . . . 6452 1 587 . 1 1 51 51 THR HG23 H 1 1.04 0.02 . . . . . . . . . . 6452 1 588 . 1 1 52 52 ALA H H 1 7.69 0.02 . . . . . . . . . . 6452 1 589 . 1 1 52 52 ALA N N 15 122.79 0.1 . . . . . . . . . . 6452 1 590 . 1 1 52 52 ALA CA C 13 52.87 0.1 . . . . . . . . . . 6452 1 591 . 1 1 52 52 ALA HA H 1 5.17 0.02 . . . . . . . . . . 6452 1 592 . 1 1 52 52 ALA C C 13 175.33 0.1 . . . . . . . . . . 6452 1 593 . 1 1 52 52 ALA CB C 13 21.16 0.1 . . . . . . . . . . 6452 1 594 . 1 1 52 52 ALA HB1 H 1 1.10 0.02 . . . . . . . . . . 6452 1 595 . 1 1 52 52 ALA HB2 H 1 1.10 0.02 . . . . . . . . . . 6452 1 596 . 1 1 52 52 ALA HB3 H 1 1.10 0.02 . . . . . . . . . . 6452 1 597 . 1 1 53 53 ILE H H 1 8.24 0.02 . . . . . . . . . . 6452 1 598 . 1 1 53 53 ILE N N 15 119.12 0.1 . . . . . . . . . . 6452 1 599 . 1 1 53 53 ILE CA C 13 60.46 0.1 . . . . . . . . . . 6452 1 600 . 1 1 53 53 ILE HA H 1 4.25 0.02 . . . . . . . . . . 6452 1 601 . 1 1 53 53 ILE C C 13 175.66 0.1 . . . . . . . . . . 6452 1 602 . 1 1 53 53 ILE CB C 13 41.80 0.1 . . . . . . . . . . 6452 1 603 . 1 1 53 53 ILE HB H 1 1.31 0.02 . . . . . . . . . . 6452 1 604 . 1 1 53 53 ILE CG2 C 13 17.78 0.1 . . . . . . . . . . 6452 1 605 . 1 1 53 53 ILE HG21 H 1 0.68 0.02 . . . . . . . . . . 6452 1 606 . 1 1 53 53 ILE HG22 H 1 0.68 0.02 . . . . . . . . . . 6452 1 607 . 1 1 53 53 ILE HG23 H 1 0.68 0.02 . . . . . . . . . . 6452 1 608 . 1 1 53 53 ILE CD1 C 13 14.42 0.1 . . . . . . . . . . 6452 1 609 . 1 1 53 53 ILE HD11 H 1 0.75 0.02 . . . . . . . . . . 6452 1 610 . 1 1 53 53 ILE HD12 H 1 0.75 0.02 . . . . . . . . . . 6452 1 611 . 1 1 53 53 ILE HD13 H 1 0.75 0.02 . . . . . . . . . . 6452 1 612 . 1 1 54 54 ASP H H 1 9.70 0.02 . . . . . . . . . . 6452 1 613 . 1 1 54 54 ASP N N 15 130.41 0.1 . . . . . . . . . . 6452 1 614 . 1 1 54 54 ASP CA C 13 55.36 0.1 . . . . . . . . . . 6452 1 615 . 1 1 54 54 ASP HA H 1 4.27 0.02 . . . . . . . . . . 6452 1 616 . 1 1 54 54 ASP C C 13 175.84 0.1 . . . . . . . . . . 6452 1 617 . 1 1 54 54 ASP CB C 13 39.74 0.1 . . . . . . . . . . 6452 1 618 . 1 1 54 54 ASP HB2 H 1 3.07 0.02 . . . . . . . . . . 6452 1 619 . 1 1 54 54 ASP HB3 H 1 2.50 0.02 . . . . . . . . . . 6452 1 620 . 1 1 55 55 GLY H H 1 8.44 0.02 . . . . . . . . . . 6452 1 621 . 1 1 55 55 GLY N N 15 102.48 0.1 . . . . . . . . . . 6452 1 622 . 1 1 55 55 GLY CA C 13 45.32 0.1 . . . . . . . . . . 6452 1 623 . 1 1 55 55 GLY HA2 H 1 4.10 0.02 . . . . . . . . . . 6452 1 624 . 1 1 55 55 GLY HA3 H 1 3.46 0.02 . . . . . . . . . . 6452 1 625 . 1 1 55 55 GLY C C 13 173.68 0.1 . . . . . . . . . . 6452 1 626 . 1 1 56 56 GLU H H 1 7.96 0.02 . . . . . . . . . . 6452 1 627 . 1 1 56 56 GLU N N 15 123.30 0.1 . . . . . . . . . . 6452 1 628 . 1 1 56 56 GLU CA C 13 54.95 0.1 . . . . . . . . . . 6452 1 629 . 1 1 56 56 GLU HA H 1 4.48 0.02 . . . . . . . . . . 6452 1 630 . 1 1 56 56 GLU C C 13 175.38 0.1 . . . . . . . . . . 6452 1 631 . 1 1 56 56 GLU CB C 13 30.55 0.1 . . . . . . . . . . 6452 1 632 . 1 1 56 56 GLU HB2 H 1 1.99 0.02 . . . . . . . . . . 6452 1 633 . 1 1 56 56 GLU HB3 H 1 1.85 0.02 . . . . . . . . . . 6452 1 634 . 1 1 56 56 GLU CG C 13 35.63 0.1 . . . . . . . . . . 6452 1 635 . 1 1 56 56 GLU HG2 H 1 2.24 0.02 . . . . . . . . . . 6452 1 636 . 1 1 56 56 GLU HG3 H 1 2.18 0.02 . . . . . . . . . . 6452 1 637 . 1 1 57 57 ASN H H 1 8.73 0.02 . . . . . . . . . . 6452 1 638 . 1 1 57 57 ASN N N 15 125.66 0.1 . . . . . . . . . . 6452 1 639 . 1 1 57 57 ASN CA C 13 54.32 0.1 . . . . . . . . . . 6452 1 640 . 1 1 57 57 ASN HA H 1 4.95 0.02 . . . . . . . . . . 6452 1 641 . 1 1 57 57 ASN C C 13 177.64 0.1 . . . . . . . . . . 6452 1 642 . 1 1 57 57 ASN CB C 13 39.16 0.1 . . . . . . . . . . 6452 1 643 . 1 1 57 57 ASN HB2 H 1 2.93 0.02 . . . . . . . . . . 6452 1 644 . 1 1 57 57 ASN HB3 H 1 2.90 0.02 . . . . . . . . . . 6452 1 645 . 1 1 57 57 ASN ND2 N 15 114.07 0.1 . . . . . . . . . . 6452 1 646 . 1 1 57 57 ASN HD21 H 1 7.78 0.02 . . . . . . . . . . 6452 1 647 . 1 1 57 57 ASN HD22 H 1 7.11 0.02 . . . . . . . . . . 6452 1 648 . 1 1 58 58 THR H H 1 8.15 0.02 . . . . . . . . . . 6452 1 649 . 1 1 58 58 THR N N 15 114.82 0.1 . . . . . . . . . . 6452 1 650 . 1 1 58 58 THR CA C 13 61.92 0.1 . . . . . . . . . . 6452 1 651 . 1 1 58 58 THR HA H 1 4.32 0.02 . . . . . . . . . . 6452 1 652 . 1 1 58 58 THR C C 13 177.98 0.1 . . . . . . . . . . 6452 1 653 . 1 1 58 58 THR CB C 13 69.83 0.1 . . . . . . . . . . 6452 1 654 . 1 1 58 58 THR HB H 1 4.61 0.02 . . . . . . . . . . 6452 1 655 . 1 1 58 58 THR CG2 C 13 22.29 0.1 . . . . . . . . . . 6452 1 656 . 1 1 58 58 THR HG21 H 1 1.11 0.02 . . . . . . . . . . 6452 1 657 . 1 1 58 58 THR HG22 H 1 1.11 0.02 . . . . . . . . . . 6452 1 658 . 1 1 58 58 THR HG23 H 1 1.11 0.02 . . . . . . . . . . 6452 1 659 . 1 1 59 59 SER H H 1 8.61 0.02 . . . . . . . . . . 6452 1 660 . 1 1 59 59 SER N N 15 119.41 0.1 . . . . . . . . . . 6452 1 661 . 1 1 59 59 SER C C 13 174.54 0.1 . . . . . . . . . . 6452 1 662 . 1 1 59 59 SER HB2 H 1 4.15 0.02 . . . . . . . . . . 6452 1 663 . 1 1 59 59 SER HB3 H 1 3.93 0.02 . . . . . . . . . . 6452 1 664 . 1 1 60 60 ASN H H 1 8.17 0.02 . . . . . . . . . . 6452 1 665 . 1 1 60 60 ASN N N 15 116.59 0.1 . . . . . . . . . . 6452 1 666 . 1 1 60 60 ASN CA C 13 52.34 0.1 . . . . . . . . . . 6452 1 667 . 1 1 60 60 ASN HA H 1 5.04 0.02 . . . . . . . . . . 6452 1 668 . 1 1 60 60 ASN C C 13 174.85 0.1 . . . . . . . . . . 6452 1 669 . 1 1 60 60 ASN CB C 13 39.60 0.1 . . . . . . . . . . 6452 1 670 . 1 1 60 60 ASN HB2 H 1 2.97 0.02 . . . . . . . . . . 6452 1 671 . 1 1 60 60 ASN HB3 H 1 2.58 0.02 . . . . . . . . . . 6452 1 672 . 1 1 60 60 ASN ND2 N 15 113.65 0.1 . . . . . . . . . . 6452 1 673 . 1 1 60 60 ASN HD21 H 1 7.64 0.02 . . . . . . . . . . 6452 1 674 . 1 1 60 60 ASN HD22 H 1 6.93 0.02 . . . . . . . . . . 6452 1 675 . 1 1 61 61 MET H H 1 7.77 0.02 . . . . . . . . . . 6452 1 676 . 1 1 61 61 MET N N 15 119.70 0.1 . . . . . . . . . . 6452 1 677 . 1 1 61 61 MET CA C 13 56.34 0.1 . . . . . . . . . . 6452 1 678 . 1 1 61 61 MET HA H 1 4.75 0.02 . . . . . . . . . . 6452 1 679 . 1 1 61 61 MET C C 13 177.44 0.1 . . . . . . . . . . 6452 1 680 . 1 1 61 61 MET CB C 13 34.49 0.1 . . . . . . . . . . 6452 1 681 . 1 1 61 61 MET HB2 H 1 2.09 0.02 . . . . . . . . . . 6452 1 682 . 1 1 61 61 MET HB3 H 1 2.09 0.02 . . . . . . . . . . 6452 1 683 . 1 1 61 61 MET CG C 13 33.50 0.1 . . . . . . . . . . 6452 1 684 . 1 1 61 61 MET HG2 H 1 2.64 0.02 . . . . . . . . . . 6452 1 685 . 1 1 61 61 MET HG3 H 1 2.56 0.02 . . . . . . . . . . 6452 1 686 . 1 1 62 62 THR H H 1 8.83 0.02 . . . . . . . . . . 6452 1 687 . 1 1 62 62 THR N N 15 114.51 0.1 . . . . . . . . . . 6452 1 688 . 1 1 62 62 THR CA C 13 61.71 0.1 . . . . . . . . . . 6452 1 689 . 1 1 62 62 THR HA H 1 4.49 0.02 . . . . . . . . . . 6452 1 690 . 1 1 62 62 THR C C 13 174.46 0.1 . . . . . . . . . . 6452 1 691 . 1 1 62 62 THR CB C 13 71.13 0.1 . . . . . . . . . . 6452 1 692 . 1 1 62 62 THR HB H 1 3.80 0.02 . . . . . . . . . . 6452 1 693 . 1 1 62 62 THR CG2 C 13 22.56 0.1 . . . . . . . . . . 6452 1 694 . 1 1 62 62 THR HG21 H 1 1.35 0.02 . . . . . . . . . . 6452 1 695 . 1 1 62 62 THR HG22 H 1 1.35 0.02 . . . . . . . . . . 6452 1 696 . 1 1 62 62 THR HG23 H 1 1.35 0.02 . . . . . . . . . . 6452 1 697 . 1 1 63 63 HIS H H 1 10.37 0.1 . . . . . . . . . . 6452 1 698 . 1 1 63 63 HIS N N 15 122.47 0.1 . . . . . . . . . . 6452 1 699 . 1 1 63 63 HIS CA C 13 61.71 0.1 . . . . . . . . . . 6452 1 700 . 1 1 63 63 HIS HA H 1 4.09 0.02 . . . . . . . . . . 6452 1 701 . 1 1 63 63 HIS C C 13 177.01 0.1 . . . . . . . . . . 6452 1 702 . 1 1 63 63 HIS CB C 13 29.16 0.1 . . . . . . . . . . 6452 1 703 . 1 1 63 63 HIS HB2 H 1 3.87 0.02 . . . . . . . . . . 6452 1 704 . 1 1 63 63 HIS HB3 H 1 3.59 0.02 . . . . . . . . . . 6452 1 705 . 1 1 63 63 HIS CD2 C 13 122.40 0.1 . . . . . . . . . . 6452 1 706 . 1 1 63 63 HIS HD2 H 1 7.14 0.02 . . . . . . . . . . 6452 1 707 . 1 1 63 63 HIS CE1 C 13 136.47 0.1 . . . . . . . . . . 6452 1 708 . 1 1 63 63 HIS HE1 H 1 8.12 0.02 . . . . . . . . . . 6452 1 709 . 1 1 64 64 LEU H H 1 9.00 0.02 . . . . . . . . . . 6452 1 710 . 1 1 64 64 LEU N N 15 118.31 0.1 . . . . . . . . . . 6452 1 711 . 1 1 64 64 LEU CA C 13 57.78 0.1 . . . . . . . . . . 6452 1 712 . 1 1 64 64 LEU HA H 1 4.13 0.02 . . . . . . . . . . 6452 1 713 . 1 1 64 64 LEU C C 13 178.77 0.1 . . . . . . . . . . 6452 1 714 . 1 1 64 64 LEU CB C 13 42.38 0.1 . . . . . . . . . . 6452 1 715 . 1 1 64 64 LEU HB2 H 1 1.67 0.02 . . . . . . . . . . 6452 1 716 . 1 1 64 64 LEU HB3 H 1 1.67 0.02 . . . . . . . . . . 6452 1 717 . 1 1 64 64 LEU CG C 13 27.01 0.1 . . . . . . . . . . 6452 1 718 . 1 1 64 64 LEU CD1 C 13 25.34 0.1 . . . . . . . . . . 6452 1 719 . 1 1 64 64 LEU HD11 H 1 0.98 0.02 . . . . . . . . . . 6452 1 720 . 1 1 64 64 LEU HD12 H 1 0.98 0.02 . . . . . . . . . . 6452 1 721 . 1 1 64 64 LEU HD13 H 1 0.98 0.02 . . . . . . . . . . 6452 1 722 . 1 1 64 64 LEU CD2 C 13 23.85 0.1 . . . . . . . . . . 6452 1 723 . 1 1 64 64 LEU HD21 H 1 0.94 0.02 . . . . . . . . . . 6452 1 724 . 1 1 64 64 LEU HD22 H 1 0.94 0.02 . . . . . . . . . . 6452 1 725 . 1 1 64 64 LEU HD23 H 1 0.94 0.02 . . . . . . . . . . 6452 1 726 . 1 1 64 64 LEU HG H 1 1.60 0.02 . . . . . . . . . . 6452 1 727 . 1 1 65 65 GLU H H 1 7.73 0.02 . . . . . . . . . . 6452 1 728 . 1 1 65 65 GLU N N 15 118.84 0.1 . . . . . . . . . . 6452 1 729 . 1 1 65 65 GLU CA C 13 59.48 0.1 . . . . . . . . . . 6452 1 730 . 1 1 65 65 GLU HA H 1 3.96 0.02 . . . . . . . . . . 6452 1 731 . 1 1 65 65 GLU C C 13 179.85 0.1 . . . . . . . . . . 6452 1 732 . 1 1 65 65 GLU CB C 13 29.83 0.1 . . . . . . . . . . 6452 1 733 . 1 1 65 65 GLU HB2 H 1 1.91 0.02 . . . . . . . . . . 6452 1 734 . 1 1 65 65 GLU HB3 H 1 1.91 0.02 . . . . . . . . . . 6452 1 735 . 1 1 65 65 GLU CG C 13 37.16 0.1 . . . . . . . . . . 6452 1 736 . 1 1 65 65 GLU HG2 H 1 2.34 0.02 . . . . . . . . . . 6452 1 737 . 1 1 65 65 GLU HG3 H 1 2.29 0.02 . . . . . . . . . . 6452 1 738 . 1 1 66 66 ALA H H 1 8.19 0.02 . . . . . . . . . . 6452 1 739 . 1 1 66 66 ALA N N 15 121.65 0.1 . . . . . . . . . . 6452 1 740 . 1 1 66 66 ALA CA C 13 55.53 0.1 . . . . . . . . . . 6452 1 741 . 1 1 66 66 ALA HA H 1 4.03 0.02 . . . . . . . . . . 6452 1 742 . 1 1 66 66 ALA C C 13 179.29 0.1 . . . . . . . . . . 6452 1 743 . 1 1 66 66 ALA CB C 13 19.52 0.1 . . . . . . . . . . 6452 1 744 . 1 1 66 66 ALA HB1 H 1 1.31 0.02 . . . . . . . . . . 6452 1 745 . 1 1 66 66 ALA HB2 H 1 1.31 0.02 . . . . . . . . . . 6452 1 746 . 1 1 66 66 ALA HB3 H 1 1.31 0.02 . . . . . . . . . . 6452 1 747 . 1 1 67 67 GLN H H 1 8.26 0.02 . . . . . . . . . . 6452 1 748 . 1 1 67 67 GLN N N 15 116.53 0.1 . . . . . . . . . . 6452 1 749 . 1 1 67 67 GLN CA C 13 59.30 0.1 . . . . . . . . . . 6452 1 750 . 1 1 67 67 GLN HA H 1 3.85 0.02 . . . . . . . . . . 6452 1 751 . 1 1 67 67 GLN C C 13 179.41 0.1 . . . . . . . . . . 6452 1 752 . 1 1 67 67 GLN CB C 13 29.00 0.1 . . . . . . . . . . 6452 1 753 . 1 1 67 67 GLN HB2 H 1 2.12 0.02 . . . . . . . . . . 6452 1 754 . 1 1 67 67 GLN HB3 H 1 2.03 0.02 . . . . . . . . . . 6452 1 755 . 1 1 67 67 GLN CG C 13 33.95 0.1 . . . . . . . . . . 6452 1 756 . 1 1 67 67 GLN HG2 H 1 2.32 0.02 . . . . . . . . . . 6452 1 757 . 1 1 67 67 GLN HG3 H 1 2.16 0.02 . . . . . . . . . . 6452 1 758 . 1 1 67 67 GLN NE2 N 15 111.79 0.1 . . . . . . . . . . 6452 1 759 . 1 1 67 67 GLN HE21 H 1 7.40 0.02 . . . . . . . . . . 6452 1 760 . 1 1 67 67 GLN HE22 H 1 6.93 0.02 . . . . . . . . . . 6452 1 761 . 1 1 68 68 ASN H H 1 8.80 0.02 . . . . . . . . . . 6452 1 762 . 1 1 68 68 ASN N N 15 118.54 0.1 . . . . . . . . . . 6452 1 763 . 1 1 68 68 ASN CA C 13 55.59 0.1 . . . . . . . . . . 6452 1 764 . 1 1 68 68 ASN HA H 1 4.50 0.02 . . . . . . . . . . 6452 1 765 . 1 1 68 68 ASN C C 13 178.74 0.1 . . . . . . . . . . 6452 1 766 . 1 1 68 68 ASN CB C 13 37.57 0.1 . . . . . . . . . . 6452 1 767 . 1 1 68 68 ASN HB2 H 1 2.96 0.02 . . . . . . . . . . 6452 1 768 . 1 1 68 68 ASN HB3 H 1 2.78 0.02 . . . . . . . . . . 6452 1 769 . 1 1 68 68 ASN ND2 N 15 110.94 0.1 . . . . . . . . . . 6452 1 770 . 1 1 68 68 ASN HD21 H 1 7.61 0.02 . . . . . . . . . . 6452 1 771 . 1 1 68 68 ASN HD22 H 1 6.76 0.02 . . . . . . . . . . 6452 1 772 . 1 1 69 69 ARG H H 1 8.17 0.02 . . . . . . . . . . 6452 1 773 . 1 1 69 69 ARG N N 15 122.24 0.1 . . . . . . . . . . 6452 1 774 . 1 1 69 69 ARG CA C 13 58.19 0.1 . . . . . . . . . . 6452 1 775 . 1 1 69 69 ARG HA H 1 4.14 0.02 . . . . . . . . . . 6452 1 776 . 1 1 69 69 ARG C C 13 179.06 0.1 . . . . . . . . . . 6452 1 777 . 1 1 69 69 ARG CB C 13 29.90 0.1 . . . . . . . . . . 6452 1 778 . 1 1 69 69 ARG HB2 H 1 1.96 0.02 . . . . . . . . . . 6452 1 779 . 1 1 69 69 ARG HB3 H 1 1.96 0.02 . . . . . . . . . . 6452 1 780 . 1 1 69 69 ARG HG2 H 1 1.67 0.02 . . . . . . . . . . 6452 1 781 . 1 1 69 69 ARG HG3 H 1 1.67 0.02 . . . . . . . . . . 6452 1 782 . 1 1 69 69 ARG CD C 13 42.63 0.1 . . . . . . . . . . 6452 1 783 . 1 1 69 69 ARG HD2 H 1 3.23 0.02 . . . . . . . . . . 6452 1 784 . 1 1 69 69 ARG HD3 H 1 3.23 0.02 . . . . . . . . . . 6452 1 785 . 1 1 70 70 ILE H H 1 7.86 0.02 . . . . . . . . . . 6452 1 786 . 1 1 70 70 ILE N N 15 118.55 0.1 . . . . . . . . . . 6452 1 787 . 1 1 70 70 ILE CA C 13 65.12 0.1 . . . . . . . . . . 6452 1 788 . 1 1 70 70 ILE HA H 1 3.75 0.02 . . . . . . . . . . 6452 1 789 . 1 1 70 70 ILE C C 13 178.37 0.1 . . . . . . . . . . 6452 1 790 . 1 1 70 70 ILE CB C 13 38.33 0.1 . . . . . . . . . . 6452 1 791 . 1 1 70 70 ILE HB H 1 1.79 0.02 . . . . . . . . . . 6452 1 792 . 1 1 70 70 ILE CG2 C 13 19.50 0.1 . . . . . . . . . . 6452 1 793 . 1 1 70 70 ILE HG21 H 1 0.78 0.02 . . . . . . . . . . 6452 1 794 . 1 1 70 70 ILE HG22 H 1 0.78 0.02 . . . . . . . . . . 6452 1 795 . 1 1 70 70 ILE HG23 H 1 0.78 0.02 . . . . . . . . . . 6452 1 796 . 1 1 70 70 ILE HG12 H 1 1.11 0.02 . . . . . . . . . . 6452 1 797 . 1 1 70 70 ILE HG13 H 1 0.84 0.02 . . . . . . . . . . 6452 1 798 . 1 1 70 70 ILE CD1 C 13 13.89 0.1 . . . . . . . . . . 6452 1 799 . 1 1 70 70 ILE HD11 H 1 0.97 0.02 . . . . . . . . . . 6452 1 800 . 1 1 70 70 ILE HD12 H 1 0.97 0.02 . . . . . . . . . . 6452 1 801 . 1 1 70 70 ILE HD13 H 1 0.97 0.02 . . . . . . . . . . 6452 1 802 . 1 1 71 71 LYS H H 1 8.31 0.02 . . . . . . . . . . 6452 1 803 . 1 1 71 71 LYS N N 15 119.61 0.1 . . . . . . . . . . 6452 1 804 . 1 1 71 71 LYS CA C 13 58.87 0.1 . . . . . . . . . . 6452 1 805 . 1 1 71 71 LYS HA H 1 4.25 0.02 . . . . . . . . . . 6452 1 806 . 1 1 71 71 LYS C C 13 178.10 0.1 . . . . . . . . . . 6452 1 807 . 1 1 71 71 LYS CB C 13 32.74 0.1 . . . . . . . . . . 6452 1 808 . 1 1 71 71 LYS HB2 H 1 1.94 0.02 . . . . . . . . . . 6452 1 809 . 1 1 71 71 LYS HB3 H 1 1.94 0.02 . . . . . . . . . . 6452 1 810 . 1 1 71 71 LYS HG2 H 1 1.61 0.02 . . . . . . . . . . 6452 1 811 . 1 1 71 71 LYS HG3 H 1 1.61 0.02 . . . . . . . . . . 6452 1 812 . 1 1 71 71 LYS CD C 13 29.54 0.1 . . . . . . . . . . 6452 1 813 . 1 1 71 71 LYS CE C 13 42.21 0.1 . . . . . . . . . . 6452 1 814 . 1 1 71 71 LYS HE2 H 1 2.99 0.02 . . . . . . . . . . 6452 1 815 . 1 1 71 71 LYS HE3 H 1 2.99 0.02 . . . . . . . . . . 6452 1 816 . 1 1 72 72 GLY H H 1 7.71 0.02 . . . . . . . . . . 6452 1 817 . 1 1 72 72 GLY N N 15 104.63 0.1 . . . . . . . . . . 6452 1 818 . 1 1 72 72 GLY CA C 13 45.41 0.1 . . . . . . . . . . 6452 1 819 . 1 1 72 72 GLY HA2 H 1 4.15 0.02 . . . . . . . . . . 6452 1 820 . 1 1 72 72 GLY HA3 H 1 3.84 0.02 . . . . . . . . . . 6452 1 821 . 1 1 72 72 GLY C C 13 174.17 0.1 . . . . . . . . . . 6452 1 822 . 1 1 73 73 CYS H H 1 7.47 0.02 . . . . . . . . . . 6452 1 823 . 1 1 73 73 CYS N N 15 121.09 0.1 . . . . . . . . . . 6452 1 824 . 1 1 73 73 CYS CA C 13 59.77 0.1 . . . . . . . . . . 6452 1 825 . 1 1 73 73 CYS HA H 1 4.65 0.02 . . . . . . . . . . 6452 1 826 . 1 1 73 73 CYS C C 13 175.06 0.1 . . . . . . . . . . 6452 1 827 . 1 1 73 73 CYS CB C 13 27.26 0.1 . . . . . . . . . . 6452 1 828 . 1 1 73 73 CYS HB2 H 1 3.19 0.02 . . . . . . . . . . 6452 1 829 . 1 1 73 73 CYS HB3 H 1 3.19 0.02 . . . . . . . . . . 6452 1 830 . 1 1 74 74 THR H H 1 8.56 0.02 . . . . . . . . . . 6452 1 831 . 1 1 74 74 THR N N 15 116.51 0.1 . . . . . . . . . . 6452 1 832 . 1 1 74 74 THR CA C 13 62.61 0.1 . . . . . . . . . . 6452 1 833 . 1 1 74 74 THR HA H 1 4.45 0.02 . . . . . . . . . . 6452 1 834 . 1 1 74 74 THR C C 13 174.81 0.1 . . . . . . . . . . 6452 1 835 . 1 1 74 74 THR CB C 13 69.56 0.1 . . . . . . . . . . 6452 1 836 . 1 1 74 74 THR HB H 1 4.33 0.02 . . . . . . . . . . 6452 1 837 . 1 1 74 74 THR CG2 C 13 21.81 0.1 . . . . . . . . . . 6452 1 838 . 1 1 74 74 THR HG21 H 1 1.24 0.02 . . . . . . . . . . 6452 1 839 . 1 1 74 74 THR HG22 H 1 1.24 0.02 . . . . . . . . . . 6452 1 840 . 1 1 74 74 THR HG23 H 1 1.24 0.02 . . . . . . . . . . 6452 1 841 . 1 1 75 75 ASP H H 1 8.42 0.02 . . . . . . . . . . 6452 1 842 . 1 1 75 75 ASP N N 15 121.67 0.1 . . . . . . . . . . 6452 1 843 . 1 1 75 75 ASP CA C 13 55.50 0.1 . . . . . . . . . . 6452 1 844 . 1 1 75 75 ASP HA H 1 4.68 0.02 . . . . . . . . . . 6452 1 845 . 1 1 75 75 ASP C C 13 175.51 0.1 . . . . . . . . . . 6452 1 846 . 1 1 75 75 ASP CB C 13 41.68 0.1 . . . . . . . . . . 6452 1 847 . 1 1 75 75 ASP HB2 H 1 2.78 0.02 . . . . . . . . . . 6452 1 848 . 1 1 75 75 ASP HB3 H 1 2.66 0.02 . . . . . . . . . . 6452 1 849 . 1 1 76 76 ASN H H 1 8.22 0.02 . . . . . . . . . . 6452 1 850 . 1 1 76 76 ASN N N 15 117.94 0.1 . . . . . . . . . . 6452 1 851 . 1 1 76 76 ASN CA C 13 53.40 0.1 . . . . . . . . . . 6452 1 852 . 1 1 76 76 ASN HA H 1 5.09 0.02 . . . . . . . . . . 6452 1 853 . 1 1 76 76 ASN C C 13 172.58 0.1 . . . . . . . . . . 6452 1 854 . 1 1 76 76 ASN HB2 H 1 2.81 0.02 . . . . . . . . . . 6452 1 855 . 1 1 76 76 ASN HB3 H 1 2.65 0.02 . . . . . . . . . . 6452 1 856 . 1 1 76 76 ASN ND2 N 15 114.63 0.1 . . . . . . . . . . 6452 1 857 . 1 1 76 76 ASN HD21 H 1 7.65 0.02 . . . . . . . . . . 6452 1 858 . 1 1 76 76 ASN HD22 H 1 6.84 0.02 . . . . . . . . . . 6452 1 859 . 1 1 77 77 LEU H H 1 8.43 0.02 . . . . . . . . . . 6452 1 860 . 1 1 77 77 LEU N N 15 125.05 0.1 . . . . . . . . . . 6452 1 861 . 1 1 77 77 LEU HA H 1 4.60 0.02 . . . . . . . . . . 6452 1 862 . 1 1 77 77 LEU C C 13 174.27 0.1 . . . . . . . . . . 6452 1 863 . 1 1 77 77 LEU CB C 13 43.45 0.1 . . . . . . . . . . 6452 1 864 . 1 1 77 77 LEU HB2 H 1 0.73 0.02 . . . . . . . . . . 6452 1 865 . 1 1 77 77 LEU HB3 H 1 0.73 0.02 . . . . . . . . . . 6452 1 866 . 1 1 77 77 LEU HD11 H 1 0.77 0.02 . . . . . . . . . . 6452 1 867 . 1 1 77 77 LEU HD12 H 1 0.77 0.02 . . . . . . . . . . 6452 1 868 . 1 1 77 77 LEU HD13 H 1 0.77 0.02 . . . . . . . . . . 6452 1 869 . 1 1 77 77 LEU CD2 C 13 26.10 0.1 . . . . . . . . . . 6452 1 870 . 1 1 77 77 LEU HD21 H 1 0.12 0.02 . . . . . . . . . . 6452 1 871 . 1 1 77 77 LEU HD22 H 1 0.12 0.02 . . . . . . . . . . 6452 1 872 . 1 1 77 77 LEU HD23 H 1 0.12 0.02 . . . . . . . . . . 6452 1 873 . 1 1 77 77 LEU HG H 1 0.95 0.02 . . . . . . . . . . 6452 1 874 . 1 1 78 78 THR H H 1 8.63 0.02 . . . . . . . . . . 6452 1 875 . 1 1 78 78 THR N N 15 123.06 0.1 . . . . . . . . . . 6452 1 876 . 1 1 78 78 THR CA C 13 61.37 0.1 . . . . . . . . . . 6452 1 877 . 1 1 78 78 THR HA H 1 5.17 0.02 . . . . . . . . . . 6452 1 878 . 1 1 78 78 THR C C 13 174.23 0.1 . . . . . . . . . . 6452 1 879 . 1 1 78 78 THR CB C 13 70.21 0.1 . . . . . . . . . . 6452 1 880 . 1 1 78 78 THR HB H 1 3.85 0.02 . . . . . . . . . . 6452 1 881 . 1 1 78 78 THR CG2 C 13 21.88 0.1 . . . . . . . . . . 6452 1 882 . 1 1 78 78 THR HG21 H 1 1.06 0.02 . . . . . . . . . . 6452 1 883 . 1 1 78 78 THR HG22 H 1 1.06 0.02 . . . . . . . . . . 6452 1 884 . 1 1 78 78 THR HG23 H 1 1.06 0.02 . . . . . . . . . . 6452 1 885 . 1 1 79 79 LEU H H 1 9.18 0.02 . . . . . . . . . . 6452 1 886 . 1 1 79 79 LEU N N 15 127.34 0.1 . . . . . . . . . . 6452 1 887 . 1 1 79 79 LEU CA C 13 52.87 0.1 . . . . . . . . . . 6452 1 888 . 1 1 79 79 LEU HA H 1 4.96 0.02 . . . . . . . . . . 6452 1 889 . 1 1 79 79 LEU C C 13 175.56 0.1 . . . . . . . . . . 6452 1 890 . 1 1 79 79 LEU CB C 13 45.46 0.1 . . . . . . . . . . 6452 1 891 . 1 1 79 79 LEU HB2 H 1 1.54 0.02 . . . . . . . . . . 6452 1 892 . 1 1 79 79 LEU HB3 H 1 1.14 0.02 . . . . . . . . . . 6452 1 893 . 1 1 79 79 LEU HD11 H 1 0.74 0.02 . . . . . . . . . . 6452 1 894 . 1 1 79 79 LEU HD12 H 1 0.74 0.02 . . . . . . . . . . 6452 1 895 . 1 1 79 79 LEU HD13 H 1 0.74 0.02 . . . . . . . . . . 6452 1 896 . 1 1 79 79 LEU CD2 C 13 26.06 0.1 . . . . . . . . . . 6452 1 897 . 1 1 79 79 LEU HD21 H 1 0.40 0.02 . . . . . . . . . . 6452 1 898 . 1 1 79 79 LEU HD22 H 1 0.40 0.02 . . . . . . . . . . 6452 1 899 . 1 1 79 79 LEU HD23 H 1 0.40 0.02 . . . . . . . . . . 6452 1 900 . 1 1 79 79 LEU HG H 1 1.35 0.02 . . . . . . . . . . 6452 1 901 . 1 1 80 80 THR H H 1 8.41 0.02 . . . . . . . . . . 6452 1 902 . 1 1 80 80 THR N N 15 120.19 0.1 . . . . . . . . . . 6452 1 903 . 1 1 80 80 THR CA C 13 62.75 0.1 . . . . . . . . . . 6452 1 904 . 1 1 80 80 THR HA H 1 4.89 0.02 . . . . . . . . . . 6452 1 905 . 1 1 80 80 THR C C 13 173.97 0.1 . . . . . . . . . . 6452 1 906 . 1 1 80 80 THR CB C 13 68.59 0.1 . . . . . . . . . . 6452 1 907 . 1 1 80 80 THR HB H 1 3.88 0.02 . . . . . . . . . . 6452 1 908 . 1 1 80 80 THR CG2 C 13 22.69 0.1 . . . . . . . . . . 6452 1 909 . 1 1 80 80 THR HG21 H 1 1.05 0.02 . . . . . . . . . . 6452 1 910 . 1 1 80 80 THR HG22 H 1 1.05 0.02 . . . . . . . . . . 6452 1 911 . 1 1 80 80 THR HG23 H 1 1.05 0.02 . . . . . . . . . . 6452 1 912 . 1 1 81 81 VAL H H 1 8.94 0.02 . . . . . . . . . . 6452 1 913 . 1 1 81 81 VAL N N 15 123.08 0.1 . . . . . . . . . . 6452 1 914 . 1 1 81 81 VAL CA C 13 59.18 0.1 . . . . . . . . . . 6452 1 915 . 1 1 81 81 VAL HA H 1 5.35 0.02 . . . . . . . . . . 6452 1 916 . 1 1 81 81 VAL C C 13 174.32 0.1 . . . . . . . . . . 6452 1 917 . 1 1 81 81 VAL CB C 13 35.49 0.1 . . . . . . . . . . 6452 1 918 . 1 1 81 81 VAL HB H 1 1.77 0.02 . . . . . . . . . . 6452 1 919 . 1 1 81 81 VAL CG1 C 13 20.09 0.1 . . . . . . . . . . 6452 1 920 . 1 1 81 81 VAL HG11 H 1 0.66 0.02 . . . . . . . . . . 6452 1 921 . 1 1 81 81 VAL HG12 H 1 0.66 0.02 . . . . . . . . . . 6452 1 922 . 1 1 81 81 VAL HG13 H 1 0.66 0.02 . . . . . . . . . . 6452 1 923 . 1 1 81 81 VAL CG2 C 13 20.09 0.1 . . . . . . . . . . 6452 1 924 . 1 1 81 81 VAL HG21 H 1 0.66 0.02 . . . . . . . . . . 6452 1 925 . 1 1 81 81 VAL HG22 H 1 0.66 0.02 . . . . . . . . . . 6452 1 926 . 1 1 81 81 VAL HG23 H 1 0.66 0.02 . . . . . . . . . . 6452 1 927 . 1 1 82 82 ALA H H 1 9.57 0.02 . . . . . . . . . . 6452 1 928 . 1 1 82 82 ALA N N 15 128.10 0.1 . . . . . . . . . . 6452 1 929 . 1 1 82 82 ALA CA C 13 50.42 0.1 . . . . . . . . . . 6452 1 930 . 1 1 82 82 ALA HA H 1 5.13 0.02 . . . . . . . . . . 6452 1 931 . 1 1 82 82 ALA C C 13 176.19 0.1 . . . . . . . . . . 6452 1 932 . 1 1 82 82 ALA CB C 13 21.26 0.1 . . . . . . . . . . 6452 1 933 . 1 1 82 82 ALA HB1 H 1 1.24 0.02 . . . . . . . . . . 6452 1 934 . 1 1 82 82 ALA HB2 H 1 1.24 0.02 . . . . . . . . . . 6452 1 935 . 1 1 82 82 ALA HB3 H 1 1.24 0.02 . . . . . . . . . . 6452 1 936 . 1 1 83 83 ARG H H 1 8.55 0.02 . . . . . . . . . . 6452 1 937 . 1 1 83 83 ARG N N 15 123.01 0.1 . . . . . . . . . . 6452 1 938 . 1 1 83 83 ARG CA C 13 55.08 0.1 . . . . . . . . . . 6452 1 939 . 1 1 83 83 ARG HA H 1 4.65 0.02 . . . . . . . . . . 6452 1 940 . 1 1 83 83 ARG C C 13 175.55 0.1 . . . . . . . . . . 6452 1 941 . 1 1 83 83 ARG CB C 13 33.53 0.1 . . . . . . . . . . 6452 1 942 . 1 1 83 83 ARG HB2 H 1 1.77 0.02 . . . . . . . . . . 6452 1 943 . 1 1 83 83 ARG HB3 H 1 1.55 0.02 . . . . . . . . . . 6452 1 944 . 1 1 83 83 ARG CG C 13 27.29 0.1 . . . . . . . . . . 6452 1 945 . 1 1 83 83 ARG CD C 13 43.51 0.1 . . . . . . . . . . 6452 1 946 . 1 1 83 83 ARG HD2 H 1 2.96 0.02 . . . . . . . . . . 6452 1 947 . 1 1 83 83 ARG HD3 H 1 2.96 0.02 . . . . . . . . . . 6452 1 948 . 1 1 84 84 SER H H 1 8.67 0.02 . . . . . . . . . . 6452 1 949 . 1 1 84 84 SER N N 15 119.41 0.1 . . . . . . . . . . 6452 1 950 . 1 1 84 84 SER CA C 13 58.23 0.1 . . . . . . . . . . 6452 1 951 . 1 1 84 84 SER HA H 1 4.57 0.02 . . . . . . . . . . 6452 1 952 . 1 1 84 84 SER C C 13 174.58 0.1 . . . . . . . . . . 6452 1 953 . 1 1 84 84 SER CB C 13 64.19 0.1 . . . . . . . . . . 6452 1 954 . 1 1 84 84 SER HB2 H 1 3.83 0.02 . . . . . . . . . . 6452 1 955 . 1 1 84 84 SER HB3 H 1 3.78 0.02 . . . . . . . . . . 6452 1 956 . 1 1 85 85 GLU H H 1 8.50 0.02 . . . . . . . . . . 6452 1 957 . 1 1 85 85 GLU N N 15 123.62 0.1 . . . . . . . . . . 6452 1 958 . 1 1 85 85 GLU CA C 13 56.82 0.1 . . . . . . . . . . 6452 1 959 . 1 1 85 85 GLU HA H 1 4.21 0.02 . . . . . . . . . . 6452 1 960 . 1 1 85 85 GLU C C 13 176.08 0.1 . . . . . . . . . . 6452 1 961 . 1 1 85 85 GLU CB C 13 30.57 0.1 . . . . . . . . . . 6452 1 962 . 1 1 85 85 GLU HB2 H 1 1.94 0.02 . . . . . . . . . . 6452 1 963 . 1 1 85 85 GLU HB3 H 1 1.84 0.02 . . . . . . . . . . 6452 1 964 . 1 1 85 85 GLU HG2 H 1 2.17 0.02 . . . . . . . . . . 6452 1 965 . 1 1 85 85 GLU HG3 H 1 2.10 0.02 . . . . . . . . . . 6452 1 966 . 1 1 86 86 HIS H H 1 8.43 0.02 . . . . . . . . . . 6452 1 967 . 1 1 86 86 HIS N N 15 119.86 0.1 . . . . . . . . . . 6452 1 968 . 1 1 86 86 HIS HB2 H 1 3.05 0.02 . . . . . . . . . . 6452 1 969 . 1 1 86 86 HIS HB3 H 1 3.05 0.02 . . . . . . . . . . 6452 1 970 . 1 1 86 86 HIS CD2 C 13 119.99 0.1 . . . . . . . . . . 6452 1 971 . 1 1 86 86 HIS HD2 H 1 7.15 0.02 . . . . . . . . . . 6452 1 972 . 1 1 86 86 HIS CE1 C 13 136.95 0.1 . . . . . . . . . . 6452 1 973 . 1 1 86 86 HIS HE1 H 1 8.36 0.02 . . . . . . . . . . 6452 1 stop_ save_