data_15325 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15325 _Entry.Title ; C-terminal domain of ORF1p from mouse LINE-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-21 _Entry.Accession_date 2007-06-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kurt Januszyk . . . 15325 2 Robert Clubb . . . 15325 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15325 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA binding domain' . 15325 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15325 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 413 15325 '15N chemical shifts' 84 15325 '1H chemical shifts' 630 15325 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 4 . . 2014-01-28 2007-06-21 update BMRB 'update temperature from citation' 15325 3 . . 2010-05-26 2007-06-21 update BMRB 'update entity name' 15325 2 . . 2008-07-03 2007-06-21 update BMRB 'complete entry citation' 15325 1 . . 2007-07-24 2007-06-21 original author 'original release' 15325 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JRB 'BMRB Entry Tracking System' 15325 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15325 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17569664 _Citation.Full_citation . _Citation.Title 'Identification and solution structure of a highly conserved C-terminal domain within ORF1p required for retrotransposition of long interspersed nuclear element-1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 34 _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 24893 _Citation.Page_last 24904 _Citation.Year 2007 _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 Kurt Januszyk . . . 15325 1 2 Patrick Li . W. . 15325 1 3 Valerie Villareal . . . 15325 1 4 Dan Branciforte . . . 15325 1 5 Haihong Wu . . . 15325 1 6 Yongming Xie . . . 15325 1 7 Juli Feigon . . . 15325 1 8 Joseph Loo . A. . 15325 1 9 Sandra Martin . L. . 15325 1 10 Robert Clubb . T. . 15325 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15325 _Assembly.ID 1 _Assembly.Name CTD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CTD 1 $entity A . yes native no no . . . 15325 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15325 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQVTYKGRPIRITPDFSPET MKARRAWTDVIQTLREHKCQ PRLLYPAKLSITIDGETKVF HDKTKFTQYLSTNPALQRII TEKKQYKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7649.985 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JRB . "C-Terminal Domain Of Orf1p From Mouse Line-1" . . . . . 100.00 88 100.00 100.00 4.24e-57 . . . . 15325 1 2 no EMBL CAA27362 . "unnamed protein product [Mus musculus]" . . . . . 98.86 280 100.00 100.00 1.31e-55 . . . . 15325 1 3 no EMBL CAI02523 . "hypothetical protein PB402902.00.0 [Plasmodium berghei]" . . . . . 98.86 371 97.70 97.70 7.56e-54 . . . . 15325 1 4 no EMBL CRH42983 . "L1 transposable element [Chlamydia trachomatis]" . . . . . 98.86 371 100.00 100.00 4.01e-55 . . . . 15325 1 5 no EMBL CRH55784 . "L1 transposable element [Chlamydia trachomatis]" . . . . . 73.86 331 96.92 96.92 3.11e-37 . . . . 15325 1 6 no EMBL CRH56877 . "L1 transposable element [Chlamydia trachomatis]" . . . . . 98.86 357 100.00 100.00 5.90e-55 . . . . 15325 1 7 no GB AAA39397 . "ORF1 [Mus musculus domesticus]" . . . . . 98.86 357 100.00 100.00 4.87e-55 . . . . 15325 1 8 no GB AAA66023 . "unknown protein [Mus musculus domesticus]" . . . . . 98.86 357 100.00 100.00 5.90e-55 . . . . 15325 1 9 no GB AAA67726 . "expressed in select embryonal carcinoma cells and testicular cells; similar to Swiss-Prot Accession Number P11260 [Mus musculus" . . . . . 98.86 357 100.00 100.00 6.09e-55 . . . . 15325 1 10 no GB AAL17969 . "pORF1 [Mus musculus domesticus]" . . . . . 98.86 357 100.00 100.00 5.90e-55 . . . . 15325 1 11 no GB AAL17971 . "pORF1 [Mus musculus domesticus]" . . . . . 98.86 357 100.00 100.00 5.90e-55 . . . . 15325 1 12 no REF WP_057184893 . "hypothetical protein [Chlamydia trachomatis]" . . . . . 98.86 371 100.00 100.00 4.01e-55 . . . . 15325 1 13 no REF WP_057247702 . "hypothetical protein [Chlamydia trachomatis]" . . . . . 71.59 343 100.00 100.00 4.07e-37 . . . . 15325 1 14 no REF WP_057256795 . "hypothetical protein [Chlamydia trachomatis]" . . . . . 98.86 357 100.00 100.00 5.90e-55 . . . . 15325 1 15 no REF XP_676702 . "hypothetical protein [Plasmodium berghei strain ANKA] [Plasmodium berghei ANKA]" . . . . . 98.86 371 97.70 97.70 7.56e-54 . . . . 15325 1 16 no REF XP_727753 . "L1 transposable element, partial [Plasmodium yoelii yoelii 17XNL]" . . . . . 98.86 374 97.70 98.85 6.14e-54 . . . . 15325 1 17 no SP P11260 . "RecName: Full=LINE-1 retrotransposable element ORF1 protein; Short=L1ORF1p; AltName: Full=LINE retrotransposable element 1; Alt" . . . . . 98.86 357 100.00 100.00 5.90e-55 . . . . 15325 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 . 15325 1 2 . GLN . 15325 1 3 . VAL . 15325 1 4 . THR . 15325 1 5 . TYR . 15325 1 6 . LYS . 15325 1 7 . GLY . 15325 1 8 . ARG . 15325 1 9 . PRO . 15325 1 10 . ILE . 15325 1 11 . ARG . 15325 1 12 . ILE . 15325 1 13 . THR . 15325 1 14 . PRO . 15325 1 15 . ASP . 15325 1 16 . PHE . 15325 1 17 . SER . 15325 1 18 . PRO . 15325 1 19 . GLU . 15325 1 20 . THR . 15325 1 21 . MET . 15325 1 22 . LYS . 15325 1 23 . ALA . 15325 1 24 . ARG . 15325 1 25 . ARG . 15325 1 26 . ALA . 15325 1 27 . TRP . 15325 1 28 . THR . 15325 1 29 . ASP . 15325 1 30 . VAL . 15325 1 31 . ILE . 15325 1 32 . GLN . 15325 1 33 . THR . 15325 1 34 . LEU . 15325 1 35 . ARG . 15325 1 36 . GLU . 15325 1 37 . HIS . 15325 1 38 . LYS . 15325 1 39 . CYS . 15325 1 40 . GLN . 15325 1 41 . PRO . 15325 1 42 . ARG . 15325 1 43 . LEU . 15325 1 44 . LEU . 15325 1 45 . TYR . 15325 1 46 . PRO . 15325 1 47 . ALA . 15325 1 48 . LYS . 15325 1 49 . LEU . 15325 1 50 . SER . 15325 1 51 . ILE . 15325 1 52 . THR . 15325 1 53 . ILE . 15325 1 54 . ASP . 15325 1 55 . GLY . 15325 1 56 . GLU . 15325 1 57 . THR . 15325 1 58 . LYS . 15325 1 59 . VAL . 15325 1 60 . PHE . 15325 1 61 . HIS . 15325 1 62 . ASP . 15325 1 63 . LYS . 15325 1 64 . THR . 15325 1 65 . LYS . 15325 1 66 . PHE . 15325 1 67 . THR . 15325 1 68 . GLN . 15325 1 69 . TYR . 15325 1 70 . LEU . 15325 1 71 . SER . 15325 1 72 . THR . 15325 1 73 . ASN . 15325 1 74 . PRO . 15325 1 75 . ALA . 15325 1 76 . LEU . 15325 1 77 . GLN . 15325 1 78 . ARG . 15325 1 79 . ILE . 15325 1 80 . ILE . 15325 1 81 . THR . 15325 1 82 . GLU . 15325 1 83 . LYS . 15325 1 84 . LYS . 15325 1 85 . GLN . 15325 1 86 . TYR . 15325 1 87 . LYS . 15325 1 88 . ASP . 15325 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 15325 1 . GLN 2 2 15325 1 . VAL 3 3 15325 1 . THR 4 4 15325 1 . TYR 5 5 15325 1 . LYS 6 6 15325 1 . GLY 7 7 15325 1 . ARG 8 8 15325 1 . PRO 9 9 15325 1 . ILE 10 10 15325 1 . ARG 11 11 15325 1 . ILE 12 12 15325 1 . THR 13 13 15325 1 . PRO 14 14 15325 1 . ASP 15 15 15325 1 . PHE 16 16 15325 1 . SER 17 17 15325 1 . PRO 18 18 15325 1 . GLU 19 19 15325 1 . THR 20 20 15325 1 . MET 21 21 15325 1 . LYS 22 22 15325 1 . ALA 23 23 15325 1 . ARG 24 24 15325 1 . ARG 25 25 15325 1 . ALA 26 26 15325 1 . TRP 27 27 15325 1 . THR 28 28 15325 1 . ASP 29 29 15325 1 . VAL 30 30 15325 1 . ILE 31 31 15325 1 . GLN 32 32 15325 1 . THR 33 33 15325 1 . LEU 34 34 15325 1 . ARG 35 35 15325 1 . GLU 36 36 15325 1 . HIS 37 37 15325 1 . LYS 38 38 15325 1 . CYS 39 39 15325 1 . GLN 40 40 15325 1 . PRO 41 41 15325 1 . ARG 42 42 15325 1 . LEU 43 43 15325 1 . LEU 44 44 15325 1 . TYR 45 45 15325 1 . PRO 46 46 15325 1 . ALA 47 47 15325 1 . LYS 48 48 15325 1 . LEU 49 49 15325 1 . SER 50 50 15325 1 . ILE 51 51 15325 1 . THR 52 52 15325 1 . ILE 53 53 15325 1 . ASP 54 54 15325 1 . GLY 55 55 15325 1 . GLU 56 56 15325 1 . THR 57 57 15325 1 . LYS 58 58 15325 1 . VAL 59 59 15325 1 . PHE 60 60 15325 1 . HIS 61 61 15325 1 . ASP 62 62 15325 1 . LYS 63 63 15325 1 . THR 64 64 15325 1 . LYS 65 65 15325 1 . PHE 66 66 15325 1 . THR 67 67 15325 1 . GLN 68 68 15325 1 . TYR 69 69 15325 1 . LEU 70 70 15325 1 . SER 71 71 15325 1 . THR 72 72 15325 1 . ASN 73 73 15325 1 . PRO 74 74 15325 1 . ALA 75 75 15325 1 . LEU 76 76 15325 1 . GLN 77 77 15325 1 . ARG 78 78 15325 1 . ILE 79 79 15325 1 . ILE 80 80 15325 1 . THR 81 81 15325 1 . GLU 82 82 15325 1 . LYS 83 83 15325 1 . LYS 84 84 15325 1 . GLN 85 85 15325 1 . TYR 86 86 15325 1 . LYS 87 87 15325 1 . ASP 88 88 15325 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 15325 _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 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . L1-MdA . . . . 15325 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 15325 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet11a . . . . . . 15325 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15325 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Phosphate buffer, pH=6.5 200 mM NaCl 5.0 mM DTT ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 15325 1 2 'Phosphate buffer' . . . . . . . 50 . . mM . . . . 15325 1 3 NaCl . . . . . . . 200 . . mM . . . . 15325 1 4 DTT . . . . . . . 5 . . mM . . . . 15325 1 5 D2O . . . . . . . 7 . . % . . . . 15325 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15325 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 15325 1 pH 6.5 . pH 15325 1 pressure 1 . atm 15325 1 temperature 300 . K 15325 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15325 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15325 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15325 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15325 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15325 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15325 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15325 1 2 spectrometer_2 Bruker DRX . 500 . . . 15325 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 15325 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 14 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 15 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 16 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15325 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15325 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15325 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15325 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15325 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15325 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15325 1 2 '2D 1H-13C HSQC' . . . 15325 1 3 '3D CBCA(CO)NH' . . . 15325 1 4 '3D C(CO)NH' . . . 15325 1 5 '3D HNCO' . . . 15325 1 6 '3D HNCA' . . . 15325 1 7 '3D HNCACB' . . . 15325 1 8 '3D HN(CO)CA' . . . 15325 1 9 '3D HCCH-TOCSY' . . . 15325 1 10 '3D HNHA' . . . 15325 1 11 '3D 1H-15N NOESY' . . . 15325 1 12 '3D 1H-15N TOCSY' . . . 15325 1 13 '3D 1H-13C NOESY' . . . 15325 1 14 '3D HNHB' . . . 15325 1 15 '3D HCCH-COSY' . . . 15325 1 16 '3D HCACO' . . . 15325 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 HB2 H 1 2.6900 0.0001 . . . . . . 1 MET HB2 . 15325 1 2 . 1 1 1 1 MET HB3 H 1 2.5780 0.0001 . . . . . . 1 MET HB3 . 15325 1 3 . 1 1 1 1 MET HE1 H 1 2.1060 0.0001 . . . . . . 1 MET HE# . 15325 1 4 . 1 1 1 1 MET HE2 H 1 2.1060 0.0001 . . . . . . 1 MET HE# . 15325 1 5 . 1 1 1 1 MET HE3 H 1 2.1060 0.0001 . . . . . . 1 MET HE# . 15325 1 6 . 1 1 1 1 MET C C 13 173.8720 0.0001 . . . . . . 1 MET C . 15325 1 7 . 1 1 1 1 MET CB C 13 30.9110 0.0001 . . . . . . 1 MET CB . 15325 1 8 . 1 1 1 1 MET CE C 13 16.9160 0.0001 . . . . . . 1 MET CE . 15325 1 9 . 1 1 1 1 MET CG C 13 29.7200 0.0001 . . . . . . 1 MET CG . 15325 1 10 . 1 1 2 2 GLN H H 1 8.4190 0.0001 . . . . . . 2 GLN HN . 15325 1 11 . 1 1 2 2 GLN HA H 1 4.5040 0.0001 . . . . . . 2 GLN HA . 15325 1 12 . 1 1 2 2 GLN HB2 H 1 1.9850 0.0001 . . . . . . 2 GLN HB2 . 15325 1 13 . 1 1 2 2 GLN HB3 H 1 2.0740 0.0001 . . . . . . 2 GLN HB3 . 15325 1 14 . 1 1 2 2 GLN HG2 H 1 2.3590 0.0001 . . . . . . 2 GLN HG2 . 15325 1 15 . 1 1 2 2 GLN HG3 H 1 2.3590 0.0001 . . . . . . 2 GLN HG3 . 15325 1 16 . 1 1 2 2 GLN C C 13 175.3690 0.0001 . . . . . . 2 GLN C . 15325 1 17 . 1 1 2 2 GLN CA C 13 55.7500 0.0001 . . . . . . 2 GLN CA . 15325 1 18 . 1 1 2 2 GLN CB C 13 29.6990 0.0001 . . . . . . 2 GLN CB . 15325 1 19 . 1 1 2 2 GLN CG C 13 33.7520 0.0001 . . . . . . 2 GLN CG . 15325 1 20 . 1 1 2 2 GLN N N 15 123.5300 0.0001 . . . . . . 2 GLN N . 15325 1 21 . 1 1 3 3 VAL H H 1 8.4190 0.0001 . . . . . . 3 VAL HN . 15325 1 22 . 1 1 3 3 VAL HA H 1 4.1960 0.0001 . . . . . . 3 VAL HA . 15325 1 23 . 1 1 3 3 VAL HB H 1 2.0400 0.0001 . . . . . . 3 VAL HB . 15325 1 24 . 1 1 3 3 VAL HG11 H 1 0.8660 0.0001 . . . . . . 3 VAL HG1# . 15325 1 25 . 1 1 3 3 VAL HG12 H 1 0.8660 0.0001 . . . . . . 3 VAL HG1# . 15325 1 26 . 1 1 3 3 VAL HG13 H 1 0.8660 0.0001 . . . . . . 3 VAL HG1# . 15325 1 27 . 1 1 3 3 VAL HG21 H 1 0.9220 0.0001 . . . . . . 3 VAL HG2# . 15325 1 28 . 1 1 3 3 VAL HG22 H 1 0.9220 0.0001 . . . . . . 3 VAL HG2# . 15325 1 29 . 1 1 3 3 VAL HG23 H 1 0.9220 0.0001 . . . . . . 3 VAL HG2# . 15325 1 30 . 1 1 3 3 VAL C C 13 175.9310 0.0001 . . . . . . 3 VAL C . 15325 1 31 . 1 1 3 3 VAL CA C 13 62.2900 0.0001 . . . . . . 3 VAL CA . 15325 1 32 . 1 1 3 3 VAL CB C 13 32.8860 0.0001 . . . . . . 3 VAL CB . 15325 1 33 . 1 1 3 3 VAL CG1 C 13 21.2500 0.0001 . . . . . . 3 VAL CG1 . 15325 1 34 . 1 1 3 3 VAL CG2 C 13 20.6700 0.0001 . . . . . . 3 VAL CG2 . 15325 1 35 . 1 1 3 3 VAL N N 15 122.9910 0.0001 . . . . . . 3 VAL N . 15325 1 36 . 1 1 4 4 THR H H 1 8.1700 0.0001 . . . . . . 4 THR HN . 15325 1 37 . 1 1 4 4 THR HA H 1 4.4190 0.0001 . . . . . . 4 THR HA . 15325 1 38 . 1 1 4 4 THR HB H 1 4.0860 0.0001 . . . . . . 4 THR HB . 15325 1 39 . 1 1 4 4 THR HG21 H 1 1.1200 0.0001 . . . . . . 4 THR HG2# . 15325 1 40 . 1 1 4 4 THR HG22 H 1 1.1200 0.0001 . . . . . . 4 THR HG2# . 15325 1 41 . 1 1 4 4 THR HG23 H 1 1.1200 0.0001 . . . . . . 4 THR HG2# . 15325 1 42 . 1 1 4 4 THR C C 13 173.9090 0.0001 . . . . . . 4 THR C . 15325 1 43 . 1 1 4 4 THR CA C 13 61.4100 0.0001 . . . . . . 4 THR CA . 15325 1 44 . 1 1 4 4 THR CB C 13 70.2920 0.0001 . . . . . . 4 THR CB . 15325 1 45 . 1 1 4 4 THR CG2 C 13 21.9590 0.0001 . . . . . . 4 THR CG2 . 15325 1 46 . 1 1 4 4 THR N N 15 118.0380 0.0001 . . . . . . 4 THR N . 15325 1 47 . 1 1 5 5 TYR H H 1 8.3930 0.0001 . . . . . . 5 TYR HN . 15325 1 48 . 1 1 5 5 TYR HA H 1 4.6110 0.0001 . . . . . . 5 TYR HA . 15325 1 49 . 1 1 5 5 TYR HB2 H 1 2.9710 0.0001 . . . . . . 5 TYR HB2 . 15325 1 50 . 1 1 5 5 TYR HD1 H 1 7.1220 0.0001 . . . . . . 5 TYR HD# . 15325 1 51 . 1 1 5 5 TYR HD2 H 1 7.1220 0.0001 . . . . . . 5 TYR HD# . 15325 1 52 . 1 1 5 5 TYR HE1 H 1 6.8180 0.0001 . . . . . . 5 TYR HE# . 15325 1 53 . 1 1 5 5 TYR HE2 H 1 6.8180 0.0001 . . . . . . 5 TYR HE# . 15325 1 54 . 1 1 5 5 TYR C C 13 175.4730 0.0001 . . . . . . 5 TYR C . 15325 1 55 . 1 1 5 5 TYR CA C 13 57.8800 0.0001 . . . . . . 5 TYR CA . 15325 1 56 . 1 1 5 5 TYR CB C 13 39.2280 0.0001 . . . . . . 5 TYR CB . 15325 1 57 . 1 1 5 5 TYR CD1 C 13 118.2760 0.0001 . . . . . . 5 TYR CD# . 15325 1 58 . 1 1 5 5 TYR CD2 C 13 118.2760 0.0001 . . . . . . 5 TYR CD# . 15325 1 59 . 1 1 5 5 TYR CE1 C 13 133.4140 0.0001 . . . . . . 5 TYR CE# . 15325 1 60 . 1 1 5 5 TYR CE2 C 13 133.4140 0.0001 . . . . . . 5 TYR CE# . 15325 1 61 . 1 1 5 5 TYR N N 15 123.5820 0.0001 . . . . . . 5 TYR N . 15325 1 62 . 1 1 6 6 LYS H H 1 8.3810 0.0001 . . . . . . 6 LYS HN . 15325 1 63 . 1 1 6 6 LYS HA H 1 4.1750 0.0001 . . . . . . 6 LYS HA . 15325 1 64 . 1 1 6 6 LYS HB2 H 1 1.8020 0.0001 . . . . . . 6 LYS HB2 . 15325 1 65 . 1 1 6 6 LYS HB3 H 1 1.8020 0.0001 . . . . . . 6 LYS HB3 . 15325 1 66 . 1 1 6 6 LYS HD2 H 1 1.6330 0.0001 . . . . . . 6 LYS HD# . 15325 1 67 . 1 1 6 6 LYS HD3 H 1 1.6330 0.0001 . . . . . . 6 LYS HD# . 15325 1 68 . 1 1 6 6 LYS HE2 H 1 2.9590 0.0001 . . . . . . 6 LYS HE# . 15325 1 69 . 1 1 6 6 LYS HE3 H 1 2.9590 0.0001 . . . . . . 6 LYS HE# . 15325 1 70 . 1 1 6 6 LYS HG2 H 1 1.2510 0.0001 . . . . . . 6 LYS HG# . 15325 1 71 . 1 1 6 6 LYS HG3 H 1 1.2510 0.0001 . . . . . . 6 LYS HG# . 15325 1 72 . 1 1 6 6 LYS C C 13 176.5480 0.0001 . . . . . . 6 LYS C . 15325 1 73 . 1 1 6 6 LYS CA C 13 56.5000 0.0001 . . . . . . 6 LYS CA . 15325 1 74 . 1 1 6 6 LYS CB C 13 32.4430 0.0001 . . . . . . 6 LYS CB . 15325 1 75 . 1 1 6 6 LYS CD C 13 29.0690 0.0001 . . . . . . 6 LYS CD . 15325 1 76 . 1 1 6 6 LYS CE C 13 42.1850 0.0001 . . . . . . 6 LYS CE . 15325 1 77 . 1 1 6 6 LYS CG C 13 24.7310 0.0001 . . . . . . 6 LYS CG . 15325 1 78 . 1 1 6 6 LYS N N 15 124.8220 0.0001 . . . . . . 6 LYS N . 15325 1 79 . 1 1 7 7 GLY H H 1 7.8880 0.0001 . . . . . . 7 GLY HN . 15325 1 80 . 1 1 7 7 GLY HA2 H 1 3.8490 0.0001 . . . . . . 7 GLY HA2 . 15325 1 81 . 1 1 7 7 GLY HA3 H 1 3.9450 0.0001 . . . . . . 7 GLY HA3 . 15325 1 82 . 1 1 7 7 GLY C C 13 173.4850 0.0001 . . . . . . 7 GLY C . 15325 1 83 . 1 1 7 7 GLY CA C 13 45.0740 0.0001 . . . . . . 7 GLY CA . 15325 1 84 . 1 1 7 7 GLY N N 15 108.6320 0.0001 . . . . . . 7 GLY N . 15325 1 85 . 1 1 8 8 ARG H H 1 8.0200 0.0001 . . . . . . 8 ARG HN . 15325 1 86 . 1 1 8 8 ARG HA H 1 4.6740 0.0001 . . . . . . 8 ARG HA . 15325 1 87 . 1 1 8 8 ARG HB2 H 1 1.7510 0.0001 . . . . . . 8 ARG HB2 . 15325 1 88 . 1 1 8 8 ARG HB3 H 1 1.8590 0.0001 . . . . . . 8 ARG HB3 . 15325 1 89 . 1 1 8 8 ARG HD2 H 1 3.1850 0.0001 . . . . . . 8 ARG HD# . 15325 1 90 . 1 1 8 8 ARG HD3 H 1 3.1850 0.0001 . . . . . . 8 ARG HD# . 15325 1 91 . 1 1 8 8 ARG HG2 H 1 1.6820 0.0001 . . . . . . 8 ARG HG# . 15325 1 92 . 1 1 8 8 ARG HG3 H 1 1.6820 0.0001 . . . . . . 8 ARG HG# . 15325 1 93 . 1 1 8 8 ARG CA C 13 53.8560 0.0001 . . . . . . 8 ARG CA . 15325 1 94 . 1 1 8 8 ARG CB C 13 30.4150 0.0001 . . . . . . 8 ARG CB . 15325 1 95 . 1 1 8 8 ARG CD C 13 43.5900 0.0001 . . . . . . 8 ARG CD . 15325 1 96 . 1 1 8 8 ARG CG C 13 26.7930 0.0001 . . . . . . 8 ARG CG . 15325 1 97 . 1 1 8 8 ARG N N 15 121.4330 0.0001 . . . . . . 8 ARG N . 15325 1 98 . 1 1 9 9 PRO HA H 1 4.4800 0.0001 . . . . . . 9 PRO HA . 15325 1 99 . 1 1 9 9 PRO HB2 H 1 2.2570 0.0001 . . . . . . 9 PRO HB2 . 15325 1 100 . 1 1 9 9 PRO HB3 H 1 1.8510 0.0001 . . . . . . 9 PRO HB3 . 15325 1 101 . 1 1 9 9 PRO HD2 H 1 3.6220 0.0001 . . . . . . 9 PRO HD2 . 15325 1 102 . 1 1 9 9 PRO HD3 H 1 3.8250 0.0001 . . . . . . 9 PRO HD3 . 15325 1 103 . 1 1 9 9 PRO HG2 H 1 2.0000 0.0001 . . . . . . 9 PRO HG2 . 15325 1 104 . 1 1 9 9 PRO HG3 H 1 2.0000 0.0001 . . . . . . 9 PRO HG3 . 15325 1 105 . 1 1 9 9 PRO C C 13 176.6990 0.0001 . . . . . . 9 PRO C . 15325 1 106 . 1 1 9 9 PRO CA C 13 63.0600 0.0001 . . . . . . 9 PRO CA . 15325 1 107 . 1 1 9 9 PRO CB C 13 32.0730 0.0001 . . . . . . 9 PRO CB . 15325 1 108 . 1 1 9 9 PRO CD C 13 50.6000 0.0001 . . . . . . 9 PRO CD . 15325 1 109 . 1 1 9 9 PRO CG C 13 27.4440 0.0001 . . . . . . 9 PRO CG . 15325 1 110 . 1 1 10 10 ILE H H 1 8.1980 0.0001 . . . . . . 10 ILE HN . 15325 1 111 . 1 1 10 10 ILE HA H 1 4.1470 0.0001 . . . . . . 10 ILE HA . 15325 1 112 . 1 1 10 10 ILE HB H 1 1.8090 0.0001 . . . . . . 10 ILE HB . 15325 1 113 . 1 1 10 10 ILE HD11 H 1 0.8310 0.0001 . . . . . . 10 ILE HD1 . 15325 1 114 . 1 1 10 10 ILE HD12 H 1 0.8310 0.0001 . . . . . . 10 ILE HD1 . 15325 1 115 . 1 1 10 10 ILE HD13 H 1 0.8310 0.0001 . . . . . . 10 ILE HD1 . 15325 1 116 . 1 1 10 10 ILE HG12 H 1 1.4760 0.0001 . . . . . . 10 ILE HG12 . 15325 1 117 . 1 1 10 10 ILE HG13 H 1 1.1590 0.0001 . . . . . . 10 ILE HG13 . 15325 1 118 . 1 1 10 10 ILE HG21 H 1 0.8850 0.0001 . . . . . . 10 ILE HG2# . 15325 1 119 . 1 1 10 10 ILE HG22 H 1 0.8850 0.0001 . . . . . . 10 ILE HG2# . 15325 1 120 . 1 1 10 10 ILE HG23 H 1 0.8850 0.0001 . . . . . . 10 ILE HG2# . 15325 1 121 . 1 1 10 10 ILE C C 13 175.9530 0.0001 . . . . . . 10 ILE C . 15325 1 122 . 1 1 10 10 ILE CA C 13 61.0990 0.0001 . . . . . . 10 ILE CA . 15325 1 123 . 1 1 10 10 ILE CB C 13 38.9420 0.0001 . . . . . . 10 ILE CB . 15325 1 124 . 1 1 10 10 ILE CD1 C 13 12.9420 0.0001 . . . . . . 10 ILE CD1 . 15325 1 125 . 1 1 10 10 ILE CG1 C 13 27.4300 0.0001 . . . . . . 10 ILE CG1 . 15325 1 126 . 1 1 10 10 ILE CG2 C 13 17.5280 0.0001 . . . . . . 10 ILE CG2 . 15325 1 127 . 1 1 10 10 ILE N N 15 121.7430 0.0001 . . . . . . 10 ILE N . 15325 1 128 . 1 1 11 11 ARG H H 1 8.3000 0.0001 . . . . . . 11 ARG HN . 15325 1 129 . 1 1 11 11 ARG HA H 1 4.4140 0.0001 . . . . . . 11 ARG HA . 15325 1 130 . 1 1 11 11 ARG HB2 H 1 1.7850 0.0001 . . . . . . 11 ARG HB2 . 15325 1 131 . 1 1 11 11 ARG HB3 H 1 1.7850 0.0001 . . . . . . 11 ARG HB3 . 15325 1 132 . 1 1 11 11 ARG HD2 H 1 3.1440 0.0001 . . . . . . 11 ARG HD# . 15325 1 133 . 1 1 11 11 ARG HD3 H 1 3.1440 0.0001 . . . . . . 11 ARG HD# . 15325 1 134 . 1 1 11 11 ARG HG2 H 1 1.5260 0.0001 . . . . . . 11 ARG HG2 . 15325 1 135 . 1 1 11 11 ARG HG3 H 1 1.6130 0.0001 . . . . . . 11 ARG HG3 . 15325 1 136 . 1 1 11 11 ARG C C 13 175.7260 0.0001 . . . . . . 11 ARG C . 15325 1 137 . 1 1 11 11 ARG CA C 13 55.7200 0.0001 . . . . . . 11 ARG CA . 15325 1 138 . 1 1 11 11 ARG CB C 13 31.0840 0.0001 . . . . . . 11 ARG CB . 15325 1 139 . 1 1 11 11 ARG CD C 13 43.3970 0.0001 . . . . . . 11 ARG CD . 15325 1 140 . 1 1 11 11 ARG CG C 13 27.0750 0.0001 . . . . . . 11 ARG CG . 15325 1 141 . 1 1 11 11 ARG N N 15 125.4830 0.0001 . . . . . . 11 ARG N . 15325 1 142 . 1 1 12 12 ILE H H 1 8.2880 0.0001 . . . . . . 12 ILE HN . 15325 1 143 . 1 1 12 12 ILE HA H 1 4.2180 0.0001 . . . . . . 12 ILE HA . 15325 1 144 . 1 1 12 12 ILE HB H 1 1.8390 0.0001 . . . . . . 12 ILE HB . 15325 1 145 . 1 1 12 12 ILE HD11 H 1 0.8170 0.0001 . . . . . . 12 ILE HD1# . 15325 1 146 . 1 1 12 12 ILE HD12 H 1 0.8170 0.0001 . . . . . . 12 ILE HD1# . 15325 1 147 . 1 1 12 12 ILE HD13 H 1 0.8170 0.0001 . . . . . . 12 ILE HD1# . 15325 1 148 . 1 1 12 12 ILE HG12 H 1 1.4340 0.0001 . . . . . . 12 ILE HG12 . 15325 1 149 . 1 1 12 12 ILE HG13 H 1 1.1660 0.0001 . . . . . . 12 ILE HG13 . 15325 1 150 . 1 1 12 12 ILE HG21 H 1 0.8410 0.0001 . . . . . . 12 ILE HG2# . 15325 1 151 . 1 1 12 12 ILE HG22 H 1 0.8410 0.0001 . . . . . . 12 ILE HG2# . 15325 1 152 . 1 1 12 12 ILE HG23 H 1 0.8410 0.0001 . . . . . . 12 ILE HG2# . 15325 1 153 . 1 1 12 12 ILE C C 13 176.0610 0.0001 . . . . . . 12 ILE C . 15325 1 154 . 1 1 12 12 ILE CA C 13 60.8700 0.0001 . . . . . . 12 ILE CA . 15325 1 155 . 1 1 12 12 ILE CB C 13 38.7600 0.0001 . . . . . . 12 ILE CB . 15325 1 156 . 1 1 12 12 ILE CD1 C 13 12.9290 0.0001 . . . . . . 12 ILE CD1 . 15325 1 157 . 1 1 12 12 ILE CG1 C 13 27.2730 0.0001 . . . . . . 12 ILE CG1 . 15325 1 158 . 1 1 12 12 ILE CG2 C 13 17.4820 0.0001 . . . . . . 12 ILE CG2 . 15325 1 159 . 1 1 12 12 ILE N N 15 123.4000 0.0001 . . . . . . 12 ILE N . 15325 1 160 . 1 1 13 13 THR H H 1 8.1640 0.0001 . . . . . . 13 THR HN . 15325 1 161 . 1 1 13 13 THR HA H 1 4.5780 0.0001 . . . . . . 13 THR HA . 15325 1 162 . 1 1 13 13 THR HB H 1 4.1330 0.0001 . . . . . . 13 THR HB . 15325 1 163 . 1 1 13 13 THR HG21 H 1 1.2210 0.0001 . . . . . . 13 THR HG2# . 15325 1 164 . 1 1 13 13 THR HG22 H 1 1.2210 0.0001 . . . . . . 13 THR HG2# . 15325 1 165 . 1 1 13 13 THR HG23 H 1 1.2210 0.0001 . . . . . . 13 THR HG2# . 15325 1 166 . 1 1 13 13 THR C C 13 172.6090 0.0001 . . . . . . 13 THR C . 15325 1 167 . 1 1 13 13 THR CA C 13 59.5300 0.0001 . . . . . . 13 THR CA . 15325 1 168 . 1 1 13 13 THR CB C 13 69.6660 0.0001 . . . . . . 13 THR CB . 15325 1 169 . 1 1 13 13 THR CG2 C 13 21.5000 0.0001 . . . . . . 13 THR CG2 . 15325 1 170 . 1 1 13 13 THR N N 15 120.7490 0.0001 . . . . . . 13 THR N . 15325 1 171 . 1 1 14 14 PRO HA H 1 4.2640 0.0001 . . . . . . 14 PRO HA . 15325 1 172 . 1 1 14 14 PRO HB2 H 1 1.6400 0.0001 . . . . . . 14 PRO HB2 . 15325 1 173 . 1 1 14 14 PRO HB3 H 1 2.0900 0.0001 . . . . . . 14 PRO HB3 . 15325 1 174 . 1 1 14 14 PRO HD2 H 1 3.5950 0.0001 . . . . . . 14 PRO HD2 . 15325 1 175 . 1 1 14 14 PRO HD3 H 1 3.7770 0.0001 . . . . . . 14 PRO HD3 . 15325 1 176 . 1 1 14 14 PRO HG2 H 1 1.8890 0.0001 . . . . . . 14 PRO HG2 . 15325 1 177 . 1 1 14 14 PRO HG3 H 1 1.8890 0.0001 . . . . . . 14 PRO HG3 . 15325 1 178 . 1 1 14 14 PRO C C 13 175.8880 0.0001 . . . . . . 14 PRO C . 15325 1 179 . 1 1 14 14 PRO CA C 13 63.2090 0.0001 . . . . . . 14 PRO CA . 15325 1 180 . 1 1 14 14 PRO CB C 13 32.0800 0.0001 . . . . . . 14 PRO CB . 15325 1 181 . 1 1 14 14 PRO CD C 13 51.0070 0.0001 . . . . . . 14 PRO CD . 15325 1 182 . 1 1 14 14 PRO CG C 13 27.3680 0.0001 . . . . . . 14 PRO CG . 15325 1 183 . 1 1 15 15 ASP H H 1 8.1330 0.0001 . . . . . . 15 ASP HN . 15325 1 184 . 1 1 15 15 ASP HA H 1 4.4860 0.0001 . . . . . . 15 ASP HA . 15325 1 185 . 1 1 15 15 ASP HB2 H 1 2.4490 0.0001 . . . . . . 15 ASP HB2 . 15325 1 186 . 1 1 15 15 ASP HB3 H 1 2.5650 0.0001 . . . . . . 15 ASP HB3 . 15325 1 187 . 1 1 15 15 ASP C C 13 175.8120 0.0001 . . . . . . 15 ASP C . 15325 1 188 . 1 1 15 15 ASP CA C 13 54.1700 0.0001 . . . . . . 15 ASP CA . 15325 1 189 . 1 1 15 15 ASP CB C 13 41.2320 0.0001 . . . . . . 15 ASP CB . 15325 1 190 . 1 1 15 15 ASP N N 15 120.2160 0.0001 . . . . . . 15 ASP N . 15325 1 191 . 1 1 16 16 PHE H H 1 8.0330 0.0001 . . . . . . 16 PHE HN . 15325 1 192 . 1 1 16 16 PHE HA H 1 4.9300 0.0001 . . . . . . 16 PHE HA . 15325 1 193 . 1 1 16 16 PHE HB2 H 1 3.1880 0.0001 . . . . . . 16 PHE HB2 . 15325 1 194 . 1 1 16 16 PHE HB3 H 1 2.9270 0.0001 . . . . . . 16 PHE HB3 . 15325 1 195 . 1 1 16 16 PHE HD1 H 1 7.3660 0.0001 . . . . . . 16 PHE HD# . 15325 1 196 . 1 1 16 16 PHE HD2 H 1 7.3660 0.0001 . . . . . . 16 PHE HD# . 15325 1 197 . 1 1 16 16 PHE C C 13 175.4990 0.0001 . . . . . . 16 PHE C . 15325 1 198 . 1 1 16 16 PHE CA C 13 56.4460 0.0001 . . . . . . 16 PHE CA . 15325 1 199 . 1 1 16 16 PHE CB C 13 40.6410 0.0001 . . . . . . 16 PHE CB . 15325 1 200 . 1 1 16 16 PHE CD1 C 13 131.5740 0.0001 . . . . . . 16 PHE CD# . 15325 1 201 . 1 1 16 16 PHE CD2 C 13 131.5740 0.0001 . . . . . . 16 PHE CD# . 15325 1 202 . 1 1 16 16 PHE N N 15 119.8900 0.0001 . . . . . . 16 PHE N . 15325 1 203 . 1 1 17 17 SER H H 1 8.7820 0.0001 . . . . . . 17 SER HN . 15325 1 204 . 1 1 17 17 SER HA H 1 4.7570 0.0001 . . . . . . 17 SER HA . 15325 1 205 . 1 1 17 17 SER HB2 H 1 4.3920 0.0001 . . . . . . 17 SER HB2 . 15325 1 206 . 1 1 17 17 SER HB3 H 1 4.1490 0.0001 . . . . . . 17 SER HB3 . 15325 1 207 . 1 1 17 17 SER CA C 13 56.7410 0.0001 . . . . . . 17 SER CA . 15325 1 208 . 1 1 17 17 SER CB C 13 63.0190 0.0001 . . . . . . 17 SER CB . 15325 1 209 . 1 1 17 17 SER N N 15 119.4910 0.0001 . . . . . . 17 SER N . 15325 1 210 . 1 1 18 18 PRO HA H 1 4.3420 0.0001 . . . . . . 18 PRO HA . 15325 1 211 . 1 1 18 18 PRO HB2 H 1 2.4540 0.0001 . . . . . . 18 PRO HB2 . 15325 1 212 . 1 1 18 18 PRO HB3 H 1 2.0150 0.0001 . . . . . . 18 PRO HB3 . 15325 1 213 . 1 1 18 18 PRO HD2 H 1 3.9760 0.0001 . . . . . . 18 PRO HD# . 15325 1 214 . 1 1 18 18 PRO HD3 H 1 3.9760 0.0001 . . . . . . 18 PRO HD# . 15325 1 215 . 1 1 18 18 PRO HG2 H 1 2.2650 0.0001 . . . . . . 18 PRO HG2 . 15325 1 216 . 1 1 18 18 PRO HG3 H 1 2.1080 0.0001 . . . . . . 18 PRO HG3 . 15325 1 217 . 1 1 18 18 PRO C C 13 179.6410 0.0001 . . . . . . 18 PRO C . 15325 1 218 . 1 1 18 18 PRO CA C 13 65.9100 0.0001 . . . . . . 18 PRO CA . 15325 1 219 . 1 1 18 18 PRO CB C 13 31.8520 0.0001 . . . . . . 18 PRO CB . 15325 1 220 . 1 1 18 18 PRO CD C 13 50.4670 0.0001 . . . . . . 18 PRO CD . 15325 1 221 . 1 1 18 18 PRO CG C 13 28.1310 0.0001 . . . . . . 18 PRO CG . 15325 1 222 . 1 1 19 19 GLU H H 1 8.8230 0.0001 . . . . . . 19 GLU HN . 15325 1 223 . 1 1 19 19 GLU HA H 1 4.0760 0.0001 . . . . . . 19 GLU HA . 15325 1 224 . 1 1 19 19 GLU HB2 H 1 2.0140 0.0001 . . . . . . 19 GLU HB2 . 15325 1 225 . 1 1 19 19 GLU HB3 H 1 2.1060 0.0001 . . . . . . 19 GLU HB3 . 15325 1 226 . 1 1 19 19 GLU HG2 H 1 2.3380 0.0001 . . . . . . 19 GLU HG2 . 15325 1 227 . 1 1 19 19 GLU HG3 H 1 2.4250 0.0001 . . . . . . 19 GLU HG3 . 15325 1 228 . 1 1 19 19 GLU C C 13 179.4360 0.0001 . . . . . . 19 GLU C . 15325 1 229 . 1 1 19 19 GLU CA C 13 59.9800 0.0001 . . . . . . 19 GLU CA . 15325 1 230 . 1 1 19 19 GLU CB C 13 28.8240 0.0001 . . . . . . 19 GLU CB . 15325 1 231 . 1 1 19 19 GLU CG C 13 36.7150 0.0001 . . . . . . 19 GLU CG . 15325 1 232 . 1 1 19 19 GLU N N 15 117.9240 0.0001 . . . . . . 19 GLU N . 15325 1 233 . 1 1 20 20 THR H H 1 7.9840 0.0001 . . . . . . 20 THR HN . 15325 1 234 . 1 1 20 20 THR HA H 1 3.9740 0.0001 . . . . . . 20 THR HA . 15325 1 235 . 1 1 20 20 THR HB H 1 4.3430 0.0001 . . . . . . 20 THR HB . 15325 1 236 . 1 1 20 20 THR HG21 H 1 1.0370 0.0001 . . . . . . 20 THR HG2# . 15325 1 237 . 1 1 20 20 THR HG22 H 1 1.0370 0.0001 . . . . . . 20 THR HG2# . 15325 1 238 . 1 1 20 20 THR HG23 H 1 1.0370 0.0001 . . . . . . 20 THR HG2# . 15325 1 239 . 1 1 20 20 THR C C 13 176.2560 0.0001 . . . . . . 20 THR C . 15325 1 240 . 1 1 20 20 THR CA C 13 66.2300 0.0001 . . . . . . 20 THR CA . 15325 1 241 . 1 1 20 20 THR CB C 13 68.0420 0.0001 . . . . . . 20 THR CB . 15325 1 242 . 1 1 20 20 THR CG2 C 13 23.9300 0.0001 . . . . . . 20 THR CG2 . 15325 1 243 . 1 1 20 20 THR N N 15 120.7470 0.0001 . . . . . . 20 THR N . 15325 1 244 . 1 1 21 21 MET H H 1 8.6160 0.0001 . . . . . . 21 MET HN . 15325 1 245 . 1 1 21 21 MET HA H 1 4.1870 0.0001 . . . . . . 21 MET HA . 15325 1 246 . 1 1 21 21 MET HB2 H 1 2.1540 0.0001 . . . . . . 21 MET HB2 . 15325 1 247 . 1 1 21 21 MET HB3 H 1 2.2000 0.0001 . . . . . . 21 MET HB3 . 15325 1 248 . 1 1 21 21 MET HE1 H 1 2.1540 0.0001 . . . . . . 21 MET HE# . 15325 1 249 . 1 1 21 21 MET HE2 H 1 2.1540 0.0001 . . . . . . 21 MET HE# . 15325 1 250 . 1 1 21 21 MET HE3 H 1 2.1540 0.0001 . . . . . . 21 MET HE# . 15325 1 251 . 1 1 21 21 MET HG2 H 1 2.6390 0.0001 . . . . . . 21 MET HG2 . 15325 1 252 . 1 1 21 21 MET HG3 H 1 2.7270 0.0001 . . . . . . 21 MET HG3 . 15325 1 253 . 1 1 21 21 MET C C 13 178.8410 0.0001 . . . . . . 21 MET C . 15325 1 254 . 1 1 21 21 MET CA C 13 58.1500 0.0001 . . . . . . 21 MET CA . 15325 1 255 . 1 1 21 21 MET CB C 13 31.0250 0.0001 . . . . . . 21 MET CB . 15325 1 256 . 1 1 21 21 MET CE C 13 16.6650 0.0001 . . . . . . 21 MET CE . 15325 1 257 . 1 1 21 21 MET CG C 13 32.1900 0.0001 . . . . . . 21 MET CG . 15325 1 258 . 1 1 21 21 MET N N 15 121.2740 0.0001 . . . . . . 21 MET N . 15325 1 259 . 1 1 22 22 LYS H H 1 8.0580 0.0001 . . . . . . 22 LYS HN . 15325 1 260 . 1 1 22 22 LYS HA H 1 3.9600 0.0001 . . . . . . 22 LYS HA . 15325 1 261 . 1 1 22 22 LYS HB2 H 1 1.9140 0.0001 . . . . . . 22 LYS HB2 . 15325 1 262 . 1 1 22 22 LYS HB3 H 1 1.8140 0.0001 . . . . . . 22 LYS HB3 . 15325 1 263 . 1 1 22 22 LYS HD2 H 1 1.7020 0.0001 . . . . . . 22 LYS HD2 . 15325 1 264 . 1 1 22 22 LYS HD3 H 1 1.7020 0.0001 . . . . . . 22 LYS HD3 . 15325 1 265 . 1 1 22 22 LYS HE2 H 1 2.9510 0.0001 . . . . . . 22 LYS HE2 . 15325 1 266 . 1 1 22 22 LYS HE3 H 1 2.9510 0.0001 . . . . . . 22 LYS HE3 . 15325 1 267 . 1 1 22 22 LYS HG2 H 1 1.4060 0.0001 . . . . . . 22 LYS HG2 . 15325 1 268 . 1 1 22 22 LYS HG3 H 1 1.5650 0.0001 . . . . . . 22 LYS HG3 . 15325 1 269 . 1 1 22 22 LYS C C 13 178.9600 0.0001 . . . . . . 22 LYS C . 15325 1 270 . 1 1 22 22 LYS CA C 13 59.9300 0.0001 . . . . . . 22 LYS CA . 15325 1 271 . 1 1 22 22 LYS CB C 13 32.3590 0.0001 . . . . . . 22 LYS CB . 15325 1 272 . 1 1 22 22 LYS CD C 13 30.0500 0.0001 . . . . . . 22 LYS CD . 15325 1 273 . 1 1 22 22 LYS CE C 13 42.0390 0.0001 . . . . . . 22 LYS CE . 15325 1 274 . 1 1 22 22 LYS CG C 13 25.2770 0.0001 . . . . . . 22 LYS CG . 15325 1 275 . 1 1 22 22 LYS N N 15 120.2860 0.0001 . . . . . . 22 LYS N . 15325 1 276 . 1 1 23 23 ALA H H 1 7.6630 0.0001 . . . . . . 23 ALA HN . 15325 1 277 . 1 1 23 23 ALA HA H 1 4.1260 0.0001 . . . . . . 23 ALA HA . 15325 1 278 . 1 1 23 23 ALA HB1 H 1 1.5200 0.0001 . . . . . . 23 ALA HB# . 15325 1 279 . 1 1 23 23 ALA HB2 H 1 1.5200 0.0001 . . . . . . 23 ALA HB# . 15325 1 280 . 1 1 23 23 ALA HB3 H 1 1.5200 0.0001 . . . . . . 23 ALA HB# . 15325 1 281 . 1 1 23 23 ALA C C 13 180.3990 0.0001 . . . . . . 23 ALA C . 15325 1 282 . 1 1 23 23 ALA CA C 13 54.9660 0.0001 . . . . . . 23 ALA CA . 15325 1 283 . 1 1 23 23 ALA CB C 13 18.1480 0.0001 . . . . . . 23 ALA CB . 15325 1 284 . 1 1 23 23 ALA N N 15 122.6900 0.0001 . . . . . . 23 ALA N . 15325 1 285 . 1 1 24 24 ARG H H 1 8.4220 0.0001 . . . . . . 24 ARG HN . 15325 1 286 . 1 1 24 24 ARG HA H 1 3.9940 0.0001 . . . . . . 24 ARG HA . 15325 1 287 . 1 1 24 24 ARG HB2 H 1 1.9650 0.0001 . . . . . . 24 ARG HB2 . 15325 1 288 . 1 1 24 24 ARG HB3 H 1 1.9650 0.0001 . . . . . . 24 ARG HB3 . 15325 1 289 . 1 1 24 24 ARG HD2 H 1 3.0560 0.0001 . . . . . . 24 ARG HD2 . 15325 1 290 . 1 1 24 24 ARG HD3 H 1 2.6810 0.0001 . . . . . . 24 ARG HD3 . 15325 1 291 . 1 1 24 24 ARG HG2 H 1 1.4300 0.0001 . . . . . . 24 ARG HG2 . 15325 1 292 . 1 1 24 24 ARG HG3 H 1 1.4300 0.0001 . . . . . . 24 ARG HG3 . 15325 1 293 . 1 1 24 24 ARG C C 13 179.4580 0.0001 . . . . . . 24 ARG C . 15325 1 294 . 1 1 24 24 ARG CA C 13 60.7900 0.0001 . . . . . . 24 ARG CA . 15325 1 295 . 1 1 24 24 ARG CB C 13 30.7580 0.0001 . . . . . . 24 ARG CB . 15325 1 296 . 1 1 24 24 ARG CD C 13 43.7190 0.0001 . . . . . . 24 ARG CD . 15325 1 297 . 1 1 24 24 ARG CG C 13 30.6900 0.0001 . . . . . . 24 ARG CG . 15325 1 298 . 1 1 24 24 ARG N N 15 118.1230 0.0001 . . . . . . 24 ARG N . 15325 1 299 . 1 1 25 25 ARG H H 1 8.1970 0.0001 . . . . . . 25 ARG HN . 15325 1 300 . 1 1 25 25 ARG HA H 1 4.1070 0.0001 . . . . . . 25 ARG HA . 15325 1 301 . 1 1 25 25 ARG HB2 H 1 1.9720 0.0001 . . . . . . 25 ARG HB2 . 15325 1 302 . 1 1 25 25 ARG HB3 H 1 1.9720 0.0001 . . . . . . 25 ARG HB3 . 15325 1 303 . 1 1 25 25 ARG HD2 H 1 3.2020 0.0001 . . . . . . 25 ARG HD2 . 15325 1 304 . 1 1 25 25 ARG HD3 H 1 3.2020 0.0001 . . . . . . 25 ARG HD3 . 15325 1 305 . 1 1 25 25 ARG HG2 H 1 1.7130 0.0001 . . . . . . 25 ARG HG2 . 15325 1 306 . 1 1 25 25 ARG HG3 H 1 1.7130 0.0001 . . . . . . 25 ARG HG3 . 15325 1 307 . 1 1 25 25 ARG C C 13 178.6900 0.0001 . . . . . . 25 ARG C . 15325 1 308 . 1 1 25 25 ARG CA C 13 58.6700 0.0001 . . . . . . 25 ARG CA . 15325 1 309 . 1 1 25 25 ARG CB C 13 30.0610 0.0001 . . . . . . 25 ARG CB . 15325 1 310 . 1 1 25 25 ARG CD C 13 43.3520 0.0001 . . . . . . 25 ARG CD . 15325 1 311 . 1 1 25 25 ARG CG C 13 27.4300 0.0001 . . . . . . 25 ARG CG . 15325 1 312 . 1 1 25 25 ARG N N 15 120.0220 0.0001 . . . . . . 25 ARG N . 15325 1 313 . 1 1 26 26 ALA H H 1 7.6200 0.0001 . . . . . . 26 ALA HN . 15325 1 314 . 1 1 26 26 ALA HA H 1 4.2200 0.0001 . . . . . . 26 ALA HA . 15325 1 315 . 1 1 26 26 ALA HB1 H 1 1.2680 0.0001 . . . . . . 26 ALA HB# . 15325 1 316 . 1 1 26 26 ALA HB2 H 1 1.2680 0.0001 . . . . . . 26 ALA HB# . 15325 1 317 . 1 1 26 26 ALA HB3 H 1 1.2680 0.0001 . . . . . . 26 ALA HB# . 15325 1 318 . 1 1 26 26 ALA C C 13 178.9920 0.0001 . . . . . . 26 ALA C . 15325 1 319 . 1 1 26 26 ALA CA C 13 54.1500 0.0001 . . . . . . 26 ALA CA . 15325 1 320 . 1 1 26 26 ALA CB C 13 18.1150 0.0001 . . . . . . 26 ALA CB . 15325 1 321 . 1 1 26 26 ALA N N 15 122.2210 0.0001 . . . . . . 26 ALA N . 15325 1 322 . 1 1 27 27 TRP H H 1 7.3150 0.0001 . . . . . . 27 TRP HN . 15325 1 323 . 1 1 27 27 TRP HA H 1 4.6880 0.0001 . . . . . . 27 TRP HA . 15325 1 324 . 1 1 27 27 TRP HB2 H 1 3.1470 0.0001 . . . . . . 27 TRP HB2 . 15325 1 325 . 1 1 27 27 TRP HB3 H 1 3.3800 0.0001 . . . . . . 27 TRP HB3 . 15325 1 326 . 1 1 27 27 TRP HD1 H 1 7.1250 0.0001 . . . . . . 27 TRP HD1 . 15325 1 327 . 1 1 27 27 TRP HE1 H 1 9.8460 0.0001 . . . . . . 27 TRP HE1 . 15325 1 328 . 1 1 27 27 TRP HE3 H 1 7.1750 0.0001 . . . . . . 27 TRP HE3 . 15325 1 329 . 1 1 27 27 TRP HH2 H 1 6.7820 0.0001 . . . . . . 27 TRP HH2 . 15325 1 330 . 1 1 27 27 TRP HZ2 H 1 7.0530 0.0001 . . . . . . 27 TRP HZ2 . 15325 1 331 . 1 1 27 27 TRP HZ3 H 1 6.2910 0.0001 . . . . . . 27 TRP HZ3 . 15325 1 332 . 1 1 27 27 TRP C C 13 177.0350 0.0001 . . . . . . 27 TRP C . 15325 1 333 . 1 1 27 27 TRP CA C 13 57.4970 0.0001 . . . . . . 27 TRP CA . 15325 1 334 . 1 1 27 27 TRP CB C 13 31.2690 0.0001 . . . . . . 27 TRP CB . 15325 1 335 . 1 1 27 27 TRP CD1 C 13 128.9760 0.0001 . . . . . . 27 TRP CD1 . 15325 1 336 . 1 1 27 27 TRP CE3 C 13 119.8850 0.0001 . . . . . . 27 TRP CE3 . 15325 1 337 . 1 1 27 27 TRP CH2 C 13 123.8370 0.0001 . . . . . . 27 TRP CH2 . 15325 1 338 . 1 1 27 27 TRP CZ2 C 13 114.4300 0.0001 . . . . . . 27 TRP CZ2 . 15325 1 339 . 1 1 27 27 TRP CZ3 C 13 121.3450 0.0001 . . . . . . 27 TRP CZ3 . 15325 1 340 . 1 1 27 27 TRP N N 15 114.6110 0.0001 . . . . . . 27 TRP N . 15325 1 341 . 1 1 27 27 TRP NE1 N 15 128.5500 0.0001 . . . . . . 27 TRP NE1 . 15325 1 342 . 1 1 28 28 THR H H 1 7.8720 0.0001 . . . . . . 28 THR HN . 15325 1 343 . 1 1 28 28 THR HA H 1 4.3280 0.0001 . . . . . . 28 THR HA . 15325 1 344 . 1 1 28 28 THR HB H 1 3.7840 0.0001 . . . . . . 28 THR HB . 15325 1 345 . 1 1 28 28 THR HG21 H 1 1.3210 0.0001 . . . . . . 28 THR HG2# . 15325 1 346 . 1 1 28 28 THR HG22 H 1 1.3210 0.0001 . . . . . . 28 THR HG2# . 15325 1 347 . 1 1 28 28 THR HG23 H 1 1.3210 0.0001 . . . . . . 28 THR HG2# . 15325 1 348 . 1 1 28 28 THR C C 13 175.2410 0.0001 . . . . . . 28 THR C . 15325 1 349 . 1 1 28 28 THR CA C 13 69.0000 0.0001 . . . . . . 28 THR CA . 15325 1 350 . 1 1 28 28 THR CB C 13 68.0500 0.0001 . . . . . . 28 THR CB . 15325 1 351 . 1 1 28 28 THR CG2 C 13 21.8070 0.0001 . . . . . . 28 THR CG2 . 15325 1 352 . 1 1 28 28 THR N N 15 115.2320 0.0001 . . . . . . 28 THR N . 15325 1 353 . 1 1 29 29 ASP H H 1 8.5320 0.0001 . . . . . . 29 ASP HN . 15325 1 354 . 1 1 29 29 ASP HA H 1 4.4730 0.0001 . . . . . . 29 ASP HA . 15325 1 355 . 1 1 29 29 ASP HB2 H 1 2.7560 0.0001 . . . . . . 29 ASP HB2 . 15325 1 356 . 1 1 29 29 ASP C C 13 178.4410 0.0001 . . . . . . 29 ASP C . 15325 1 357 . 1 1 29 29 ASP CA C 13 57.3300 0.0001 . . . . . . 29 ASP CA . 15325 1 358 . 1 1 29 29 ASP CB C 13 39.8280 0.0001 . . . . . . 29 ASP CB . 15325 1 359 . 1 1 29 29 ASP N N 15 120.1490 0.0001 . . . . . . 29 ASP N . 15325 1 360 . 1 1 30 30 VAL H H 1 7.8900 0.0001 . . . . . . 30 VAL HN . 15325 1 361 . 1 1 30 30 VAL HA H 1 4.0580 0.0001 . . . . . . 30 VAL HA . 15325 1 362 . 1 1 30 30 VAL HB H 1 2.3240 0.0001 . . . . . . 30 VAL HB . 15325 1 363 . 1 1 30 30 VAL HG11 H 1 0.8950 0.0001 . . . . . . 30 VAL HG1# . 15325 1 364 . 1 1 30 30 VAL HG12 H 1 0.8950 0.0001 . . . . . . 30 VAL HG1# . 15325 1 365 . 1 1 30 30 VAL HG13 H 1 0.8950 0.0001 . . . . . . 30 VAL HG1# . 15325 1 366 . 1 1 30 30 VAL HG21 H 1 1.1310 0.0001 . . . . . . 30 VAL HG2# . 15325 1 367 . 1 1 30 30 VAL HG22 H 1 1.1310 0.0001 . . . . . . 30 VAL HG2# . 15325 1 368 . 1 1 30 30 VAL HG23 H 1 1.1310 0.0001 . . . . . . 30 VAL HG2# . 15325 1 369 . 1 1 30 30 VAL C C 13 177.7490 0.0001 . . . . . . 30 VAL C . 15325 1 370 . 1 1 30 30 VAL CA C 13 64.9400 0.0001 . . . . . . 30 VAL CA . 15325 1 371 . 1 1 30 30 VAL CB C 13 32.6840 0.0001 . . . . . . 30 VAL CB . 15325 1 372 . 1 1 30 30 VAL CG1 C 13 21.9600 0.0001 . . . . . . 30 VAL CG1 . 15325 1 373 . 1 1 30 30 VAL CG2 C 13 22.2170 0.0001 . . . . . . 30 VAL CG2 . 15325 1 374 . 1 1 30 30 VAL N N 15 119.1530 0.0001 . . . . . . 30 VAL N . 15325 1 375 . 1 1 31 31 ILE H H 1 8.3280 0.0001 . . . . . . 31 ILE HN . 15325 1 376 . 1 1 31 31 ILE HA H 1 3.3990 0.0001 . . . . . . 31 ILE HA . 15325 1 377 . 1 1 31 31 ILE HB H 1 1.9120 0.0001 . . . . . . 31 ILE HB . 15325 1 378 . 1 1 31 31 ILE HD11 H 1 0.6960 0.0001 . . . . . . 31 ILE HD1# . 15325 1 379 . 1 1 31 31 ILE HD12 H 1 0.6960 0.0001 . . . . . . 31 ILE HD1# . 15325 1 380 . 1 1 31 31 ILE HD13 H 1 0.6960 0.0001 . . . . . . 31 ILE HD1# . 15325 1 381 . 1 1 31 31 ILE HG12 H 1 1.7410 0.0001 . . . . . . 31 ILE HG11 . 15325 1 382 . 1 1 31 31 ILE HG13 H 1 0.7840 0.0001 . . . . . . 31 ILE HG12 . 15325 1 383 . 1 1 31 31 ILE HG21 H 1 0.8410 0.0001 . . . . . . 31 ILE HG2# . 15325 1 384 . 1 1 31 31 ILE HG22 H 1 0.8410 0.0001 . . . . . . 31 ILE HG2# . 15325 1 385 . 1 1 31 31 ILE HG23 H 1 0.8410 0.0001 . . . . . . 31 ILE HG2# . 15325 1 386 . 1 1 31 31 ILE C C 13 177.3270 0.0001 . . . . . . 31 ILE C . 15325 1 387 . 1 1 31 31 ILE CA C 13 66.6300 0.0001 . . . . . . 31 ILE CA . 15325 1 388 . 1 1 31 31 ILE CB C 13 37.5080 0.0001 . . . . . . 31 ILE CB . 15325 1 389 . 1 1 31 31 ILE CD1 C 13 13.6370 0.0001 . . . . . . 31 ILE CD1 . 15325 1 390 . 1 1 31 31 ILE CG1 C 13 30.7190 0.0001 . . . . . . 31 ILE CG1 . 15325 1 391 . 1 1 31 31 ILE CG2 C 13 16.9040 0.0001 . . . . . . 31 ILE CG2 . 15325 1 392 . 1 1 31 31 ILE N N 15 120.7040 0.0001 . . . . . . 31 ILE N . 15325 1 393 . 1 1 32 32 GLN H H 1 8.0640 0.0001 . . . . . . 32 GLN HN . 15325 1 394 . 1 1 32 32 GLN HA H 1 4.0480 0.0001 . . . . . . 32 GLN HA . 15325 1 395 . 1 1 32 32 GLN HB2 H 1 2.2140 0.0001 . . . . . . 32 GLN HB2 . 15325 1 396 . 1 1 32 32 GLN HB3 H 1 2.2110 0.0001 . . . . . . 32 GLN HB3 . 15325 1 397 . 1 1 32 32 GLN HE21 H 1 7.7000 0.0001 . . . . . . 32 GLN HE21 . 15325 1 398 . 1 1 32 32 GLN HE22 H 1 6.8860 0.0001 . . . . . . 32 GLN HE22 . 15325 1 399 . 1 1 32 32 GLN HG2 H 1 2.5140 0.0001 . . . . . . 32 GLN HG2 . 15325 1 400 . 1 1 32 32 GLN HG3 H 1 2.5140 0.0001 . . . . . . 32 GLN HG3 . 15325 1 401 . 1 1 32 32 GLN C C 13 178.5170 0.0001 . . . . . . 32 GLN C . 15325 1 402 . 1 1 32 32 GLN CA C 13 59.5840 0.0001 . . . . . . 32 GLN CA . 15325 1 403 . 1 1 32 32 GLN CB C 13 27.8640 0.0001 . . . . . . 32 GLN CB . 15325 1 404 . 1 1 32 32 GLN CG C 13 33.5000 0.0001 . . . . . . 32 GLN CG . 15325 1 405 . 1 1 32 32 GLN N N 15 118.4510 0.0001 . . . . . . 32 GLN N . 15325 1 406 . 1 1 32 32 GLN NE2 N 15 112.9400 0.0001 . . . . . . 32 GLN NE2 . 15325 1 407 . 1 1 33 33 THR H H 1 7.8450 0.0001 . . . . . . 33 THR HN . 15325 1 408 . 1 1 33 33 THR HA H 1 4.2600 0.0001 . . . . . . 33 THR HA . 15325 1 409 . 1 1 33 33 THR HB H 1 4.3020 0.0001 . . . . . . 33 THR HB . 15325 1 410 . 1 1 33 33 THR HG21 H 1 1.3450 0.0001 . . . . . . 33 THR HG2# . 15325 1 411 . 1 1 33 33 THR HG22 H 1 1.3450 0.0001 . . . . . . 33 THR HG2# . 15325 1 412 . 1 1 33 33 THR HG23 H 1 1.3450 0.0001 . . . . . . 33 THR HG2# . 15325 1 413 . 1 1 33 33 THR C C 13 177.3050 0.0001 . . . . . . 33 THR C . 15325 1 414 . 1 1 33 33 THR CA C 13 66.0140 0.0001 . . . . . . 33 THR CA . 15325 1 415 . 1 1 33 33 THR CB C 13 68.9800 0.0001 . . . . . . 33 THR CB . 15325 1 416 . 1 1 33 33 THR CG2 C 13 23.0000 0.0001 . . . . . . 33 THR CG2 . 15325 1 417 . 1 1 33 33 THR N N 15 115.5890 0.0001 . . . . . . 33 THR N . 15325 1 418 . 1 1 34 34 LEU H H 1 8.4260 0.0001 . . . . . . 34 LEU HN . 15325 1 419 . 1 1 34 34 LEU HA H 1 4.1410 0.0001 . . . . . . 34 LEU HA . 15325 1 420 . 1 1 34 34 LEU HB2 H 1 1.9830 0.0001 . . . . . . 34 LEU HB2 . 15325 1 421 . 1 1 34 34 LEU HB3 H 1 1.1540 0.0001 . . . . . . 34 LEU HB3 . 15325 1 422 . 1 1 34 34 LEU HD11 H 1 0.9670 0.0001 . . . . . . 34 LEU HD1# . 15325 1 423 . 1 1 34 34 LEU HD12 H 1 0.9670 0.0001 . . . . . . 34 LEU HD1# . 15325 1 424 . 1 1 34 34 LEU HD13 H 1 0.9670 0.0001 . . . . . . 34 LEU HD1# . 15325 1 425 . 1 1 34 34 LEU HG H 1 0.7400 0.0001 . . . . . . 34 LEU HG . 15325 1 426 . 1 1 34 34 LEU C C 13 178.9130 0.0001 . . . . . . 34 LEU C . 15325 1 427 . 1 1 34 34 LEU CA C 13 57.9290 0.0001 . . . . . . 34 LEU CA . 15325 1 428 . 1 1 34 34 LEU CB C 13 41.6750 0.0001 . . . . . . 34 LEU CB . 15325 1 429 . 1 1 34 34 LEU CD1 C 13 22.9900 0.0001 . . . . . . 34 LEU CD1 . 15325 1 430 . 1 1 34 34 LEU CG C 13 27.4940 0.0001 . . . . . . 34 LEU CG . 15325 1 431 . 1 1 34 34 LEU N N 15 121.2930 0.0001 . . . . . . 34 LEU N . 15325 1 432 . 1 1 35 35 ARG H H 1 8.7000 0.0001 . . . . . . 35 ARG HN . 15325 1 433 . 1 1 35 35 ARG HA H 1 4.1060 0.0001 . . . . . . 35 ARG HA . 15325 1 434 . 1 1 35 35 ARG HB2 H 1 1.9600 0.0001 . . . . . . 35 ARG HB2 . 15325 1 435 . 1 1 35 35 ARG HB3 H 1 2.0890 0.0001 . . . . . . 35 ARG HB3 . 15325 1 436 . 1 1 35 35 ARG HD2 H 1 3.2460 0.0001 . . . . . . 35 ARG HD# . 15325 1 437 . 1 1 35 35 ARG HD3 H 1 3.2460 0.0001 . . . . . . 35 ARG HD# . 15325 1 438 . 1 1 35 35 ARG HG2 H 1 1.6960 0.0001 . . . . . . 35 ARG HG2 . 15325 1 439 . 1 1 35 35 ARG HG3 H 1 1.6960 0.0001 . . . . . . 35 ARG HG3 . 15325 1 440 . 1 1 35 35 ARG C C 13 176.8670 0.0001 . . . . . . 35 ARG C . 15325 1 441 . 1 1 35 35 ARG CA C 13 59.2010 0.0001 . . . . . . 35 ARG CA . 15325 1 442 . 1 1 35 35 ARG CB C 13 29.9500 0.0001 . . . . . . 35 ARG CB . 15325 1 443 . 1 1 35 35 ARG CD C 13 43.6560 0.0001 . . . . . . 35 ARG CD . 15325 1 444 . 1 1 35 35 ARG CG C 13 24.8600 0.0001 . . . . . . 35 ARG CG . 15325 1 445 . 1 1 35 35 ARG N N 15 121.6630 0.0001 . . . . . . 35 ARG N . 15325 1 446 . 1 1 36 36 GLU HA H 1 4.1220 0.0001 . . . . . . 36 GLU HA . 15325 1 447 . 1 1 36 36 GLU HB2 H 1 2.0130 0.0001 . . . . . . 36 GLU HB2 . 15325 1 448 . 1 1 36 36 GLU HB3 H 1 2.0130 0.0001 . . . . . . 36 GLU HB3 . 15325 1 449 . 1 1 36 36 GLU HG2 H 1 2.3892 0.0001 . . . . . . 36 GLU HG2 . 15325 1 450 . 1 1 36 36 GLU HG3 H 1 2.2412 0.0001 . . . . . . 36 GLU HG3 . 15325 1 451 . 1 1 36 36 GLU CA C 13 55.0800 0.0001 . . . . . . 36 GLU CA . 15325 1 452 . 1 1 36 36 GLU CB C 13 29.4260 0.0001 . . . . . . 36 GLU CB . 15325 1 453 . 1 1 36 36 GLU CG C 13 36.1900 0.0001 . . . . . . 36 GLU CG . 15325 1 454 . 1 1 37 37 HIS HA H 1 4.6790 0.0001 . . . . . . 37 HIS HA . 15325 1 455 . 1 1 37 37 HIS HB2 H 1 2.8610 0.0001 . . . . . . 37 HIS HB2 . 15325 1 456 . 1 1 37 37 HIS HB3 H 1 3.6130 0.0001 . . . . . . 37 HIS HB3 . 15325 1 457 . 1 1 37 37 HIS HD2 H 1 7.4510 0.0001 . . . . . . 37 HIS HD2 . 15325 1 458 . 1 1 37 37 HIS HE1 H 1 8.2740 0.0001 . . . . . . 37 HIS HE1 . 15325 1 459 . 1 1 37 37 HIS C C 13 173.5050 0.0001 . . . . . . 37 HIS C . 15325 1 460 . 1 1 37 37 HIS CA C 13 56.5300 0.0001 . . . . . . 37 HIS CA . 15325 1 461 . 1 1 37 37 HIS CB C 13 29.2820 0.0001 . . . . . . 37 HIS CB . 15325 1 462 . 1 1 37 37 HIS CD2 C 13 121.2780 0.0001 . . . . . . 37 HIS CD2 . 15325 1 463 . 1 1 37 37 HIS CE1 C 13 137.7140 0.0001 . . . . . . 37 HIS CE1 . 15325 1 464 . 1 1 38 38 LYS H H 1 7.8500 0.0001 . . . . . . 38 LYS HN . 15325 1 465 . 1 1 38 38 LYS HA H 1 4.3610 0.0001 . . . . . . 38 LYS HA . 15325 1 466 . 1 1 38 38 LYS HB2 H 1 2.1110 0.0001 . . . . . . 38 LYS HB2 . 15325 1 467 . 1 1 38 38 LYS HB3 H 1 2.1100 0.0001 . . . . . . 38 LYS HB3 . 15325 1 468 . 1 1 38 38 LYS HD2 H 1 1.7090 0.0001 . . . . . . 38 LYS HD2 . 15325 1 469 . 1 1 38 38 LYS HE2 H 1 3.0260 0.0001 . . . . . . 38 LYS HE2 . 15325 1 470 . 1 1 38 38 LYS HG2 H 1 1.3630 0.0001 . . . . . . 38 LYS HG2 . 15325 1 471 . 1 1 38 38 LYS HG3 H 1 1.3630 0.0001 . . . . . . 38 LYS HG3 . 15325 1 472 . 1 1 38 38 LYS C C 13 176.9160 0.0001 . . . . . . 38 LYS C . 15325 1 473 . 1 1 38 38 LYS CA C 13 57.4700 0.0001 . . . . . . 38 LYS CA . 15325 1 474 . 1 1 38 38 LYS CB C 13 28.9730 0.0001 . . . . . . 38 LYS CB . 15325 1 475 . 1 1 38 38 LYS CD C 13 29.5840 0.0001 . . . . . . 38 LYS CD . 15325 1 476 . 1 1 38 38 LYS CE C 13 42.3900 0.0001 . . . . . . 38 LYS CE . 15325 1 477 . 1 1 38 38 LYS CG C 13 24.9290 0.0001 . . . . . . 38 LYS CG . 15325 1 478 . 1 1 38 38 LYS N N 15 113.6880 0.0001 . . . . . . 38 LYS N . 15325 1 479 . 1 1 39 39 CYS H H 1 8.0430 0.0001 . . . . . . 39 CYS HN . 15325 1 480 . 1 1 39 39 CYS HA H 1 4.9400 0.0001 . . . . . . 39 CYS HA . 15325 1 481 . 1 1 39 39 CYS HB2 H 1 2.7400 0.0001 . . . . . . 39 CYS HB2 . 15325 1 482 . 1 1 39 39 CYS HB3 H 1 3.0530 0.0001 . . . . . . 39 CYS HB3 . 15325 1 483 . 1 1 39 39 CYS C C 13 172.8840 0.0001 . . . . . . 39 CYS C . 15325 1 484 . 1 1 39 39 CYS CA C 13 59.1600 0.0001 . . . . . . 39 CYS CA . 15325 1 485 . 1 1 39 39 CYS CB C 13 28.5060 0.0001 . . . . . . 39 CYS CB . 15325 1 486 . 1 1 39 39 CYS N N 15 113.3520 0.0001 . . . . . . 39 CYS N . 15325 1 487 . 1 1 40 40 GLN H H 1 8.6640 0.0001 . . . . . . 40 GLN HN . 15325 1 488 . 1 1 40 40 GLN HA H 1 4.0950 0.0001 . . . . . . 40 GLN HA . 15325 1 489 . 1 1 40 40 GLN HB2 H 1 2.1410 0.0001 . . . . . . 40 GLN HB2 . 15325 1 490 . 1 1 40 40 GLN HB3 H 1 2.0750 0.0001 . . . . . . 40 GLN HB3 . 15325 1 491 . 1 1 40 40 GLN HE21 H 1 7.2580 0.0001 . . . . . . 40 GLN HE21 . 15325 1 492 . 1 1 40 40 GLN HE22 H 1 6.6550 0.0001 . . . . . . 40 GLN HE22 . 15325 1 493 . 1 1 40 40 GLN HG2 H 1 2.2630 0.0001 . . . . . . 40 GLN HG2 . 15325 1 494 . 1 1 40 40 GLN HG3 H 1 2.0850 0.0001 . . . . . . 40 GLN HG3 . 15325 1 495 . 1 1 40 40 GLN C C 13 178.3640 0.0001 . . . . . . 40 GLN C . 15325 1 496 . 1 1 40 40 GLN CA C 13 55.6650 0.0001 . . . . . . 40 GLN CA . 15325 1 497 . 1 1 40 40 GLN CB C 13 28.5200 0.0001 . . . . . . 40 GLN CB . 15325 1 498 . 1 1 40 40 GLN CG C 13 34.2000 0.0001 . . . . . . 40 GLN CG . 15325 1 499 . 1 1 40 40 GLN N N 15 115.7130 0.0001 . . . . . . 40 GLN N . 15325 1 500 . 1 1 40 40 GLN NE2 N 15 111.2510 0.0001 . . . . . . 40 GLN NE2 . 15325 1 501 . 1 1 41 41 PRO HA H 1 5.2310 0.0001 . . . . . . 41 PRO HA . 15325 1 502 . 1 1 41 41 PRO HB2 H 1 1.6580 0.0001 . . . . . . 41 PRO HB2 . 15325 1 503 . 1 1 41 41 PRO HB3 H 1 1.6580 0.0001 . . . . . . 41 PRO HB3 . 15325 1 504 . 1 1 41 41 PRO HD2 H 1 3.0170 0.0001 . . . . . . 41 PRO HD2 . 15325 1 505 . 1 1 41 41 PRO HD3 H 1 2.9630 0.0001 . . . . . . 41 PRO HD3 . 15325 1 506 . 1 1 41 41 PRO HG2 H 1 2.1430 0.0001 . . . . . . 41 PRO HG2 . 15325 1 507 . 1 1 41 41 PRO HG3 H 1 2.2410 0.0001 . . . . . . 41 PRO HG3 . 15325 1 508 . 1 1 41 41 PRO C C 13 177.7490 0.0001 . . . . . . 41 PRO C . 15325 1 509 . 1 1 41 41 PRO CA C 13 62.1490 0.0001 . . . . . . 41 PRO CA . 15325 1 510 . 1 1 41 41 PRO CB C 13 32.5530 0.0001 . . . . . . 41 PRO CB . 15325 1 511 . 1 1 41 41 PRO CD C 13 50.4900 0.0001 . . . . . . 41 PRO CD . 15325 1 512 . 1 1 41 41 PRO CG C 13 28.2800 0.0001 . . . . . . 41 PRO CG . 15325 1 513 . 1 1 42 42 ARG H H 1 8.9350 0.0001 . . . . . . 42 ARG HN . 15325 1 514 . 1 1 42 42 ARG HA H 1 4.4390 0.0001 . . . . . . 42 ARG HA . 15325 1 515 . 1 1 42 42 ARG HB2 H 1 1.6570 0.0001 . . . . . . 42 ARG HB2 . 15325 1 516 . 1 1 42 42 ARG HB3 H 1 1.6250 0.0001 . . . . . . 42 ARG HB3 . 15325 1 517 . 1 1 42 42 ARG HD2 H 1 3.0740 0.0001 . . . . . . 42 ARG HD# . 15325 1 518 . 1 1 42 42 ARG HD3 H 1 3.0740 0.0001 . . . . . . 42 ARG HD# . 15325 1 519 . 1 1 42 42 ARG HG2 H 1 1.5010 0.0001 . . . . . . 42 ARG HG# . 15325 1 520 . 1 1 42 42 ARG HG3 H 1 1.5010 0.0001 . . . . . . 42 ARG HG# . 15325 1 521 . 1 1 42 42 ARG C C 13 173.8550 0.0001 . . . . . . 42 ARG C . 15325 1 522 . 1 1 42 42 ARG CA C 13 55.0600 0.0001 . . . . . . 42 ARG CA . 15325 1 523 . 1 1 42 42 ARG CB C 13 33.6690 0.0001 . . . . . . 42 ARG CB . 15325 1 524 . 1 1 42 42 ARG CD C 13 43.7160 0.0001 . . . . . . 42 ARG CD . 15325 1 525 . 1 1 42 42 ARG CG C 13 26.8910 0.0001 . . . . . . 42 ARG CG . 15325 1 526 . 1 1 42 42 ARG N N 15 121.5450 0.0001 . . . . . . 42 ARG N . 15325 1 527 . 1 1 43 43 LEU H H 1 8.4730 0.0001 . . . . . . 43 LEU HN . 15325 1 528 . 1 1 43 43 LEU HA H 1 4.8410 0.0001 . . . . . . 43 LEU HA . 15325 1 529 . 1 1 43 43 LEU HB2 H 1 1.3130 0.0001 . . . . . . 43 LEU HB2 . 15325 1 530 . 1 1 43 43 LEU HB3 H 1 1.3660 0.0001 . . . . . . 43 LEU HB3 . 15325 1 531 . 1 1 43 43 LEU HD11 H 1 0.6750 0.0001 . . . . . . 43 LEU HD1# . 15325 1 532 . 1 1 43 43 LEU HD12 H 1 0.6750 0.0001 . . . . . . 43 LEU HD1# . 15325 1 533 . 1 1 43 43 LEU HD13 H 1 0.6750 0.0001 . . . . . . 43 LEU HD1# . 15325 1 534 . 1 1 43 43 LEU HD21 H 1 0.5520 0.0001 . . . . . . 43 LEU HD2# . 15325 1 535 . 1 1 43 43 LEU HD22 H 1 0.5520 0.0001 . . . . . . 43 LEU HD2# . 15325 1 536 . 1 1 43 43 LEU HD23 H 1 0.5520 0.0001 . . . . . . 43 LEU HD2# . 15325 1 537 . 1 1 43 43 LEU HG H 1 1.3080 0.0001 . . . . . . 43 LEU HG . 15325 1 538 . 1 1 43 43 LEU C C 13 176.4070 0.0001 . . . . . . 43 LEU C . 15325 1 539 . 1 1 43 43 LEU CA C 13 53.5900 0.0001 . . . . . . 43 LEU CA . 15325 1 540 . 1 1 43 43 LEU CB C 13 42.8180 0.0001 . . . . . . 43 LEU CB . 15325 1 541 . 1 1 43 43 LEU CD1 C 13 25.1300 0.0001 . . . . . . 43 LEU CD1 . 15325 1 542 . 1 1 43 43 LEU CD2 C 13 25.1300 0.0001 . . . . . . 43 LEU CD2 . 15325 1 543 . 1 1 43 43 LEU CG C 13 27.1000 0.0001 . . . . . . 43 LEU CG . 15325 1 544 . 1 1 43 43 LEU N N 15 124.3150 0.0001 . . . . . . 43 LEU N . 15325 1 545 . 1 1 44 44 LEU H H 1 9.0750 0.0001 . . . . . . 44 LEU HN . 15325 1 546 . 1 1 44 44 LEU HA H 1 4.6260 0.0001 . . . . . . 44 LEU HA . 15325 1 547 . 1 1 44 44 LEU HB2 H 1 1.5750 0.0001 . . . . . . 44 LEU HB2 . 15325 1 548 . 1 1 44 44 LEU HB3 H 1 1.3540 0.0001 . . . . . . 44 LEU HB3 . 15325 1 549 . 1 1 44 44 LEU HD11 H 1 0.7650 0.0001 . . . . . . 44 LEU HD1# . 15325 1 550 . 1 1 44 44 LEU HD12 H 1 0.7650 0.0001 . . . . . . 44 LEU HD1# . 15325 1 551 . 1 1 44 44 LEU HD13 H 1 0.7650 0.0001 . . . . . . 44 LEU HD1# . 15325 1 552 . 1 1 44 44 LEU HD21 H 1 0.7530 0.0001 . . . . . . 44 LEU HD2# . 15325 1 553 . 1 1 44 44 LEU HD22 H 1 0.7530 0.0001 . . . . . . 44 LEU HD2# . 15325 1 554 . 1 1 44 44 LEU HD23 H 1 0.7530 0.0001 . . . . . . 44 LEU HD2# . 15325 1 555 . 1 1 44 44 LEU HG H 1 1.4340 0.0001 . . . . . . 44 LEU HG . 15325 1 556 . 1 1 44 44 LEU C C 13 175.6930 0.0001 . . . . . . 44 LEU C . 15325 1 557 . 1 1 44 44 LEU CA C 13 52.8500 0.0001 . . . . . . 44 LEU CA . 15325 1 558 . 1 1 44 44 LEU CB C 13 43.9640 0.0001 . . . . . . 44 LEU CB . 15325 1 559 . 1 1 44 44 LEU CD1 C 13 22.8400 0.0001 . . . . . . 44 LEU CD1 . 15325 1 560 . 1 1 44 44 LEU CD2 C 13 25.9100 0.0001 . . . . . . 44 LEU CD2 . 15325 1 561 . 1 1 44 44 LEU CG C 13 27.1200 0.0001 . . . . . . 44 LEU CG . 15325 1 562 . 1 1 44 44 LEU N N 15 127.2490 0.0001 . . . . . . 44 LEU N . 15325 1 563 . 1 1 45 45 TYR H H 1 8.5320 0.0001 . . . . . . 45 TYR HN . 15325 1 564 . 1 1 45 45 TYR HA H 1 4.3920 0.0001 . . . . . . 45 TYR HA . 15325 1 565 . 1 1 45 45 TYR HB2 H 1 3.1370 0.0001 . . . . . . 45 TYR HB2 . 15325 1 566 . 1 1 45 45 TYR HB3 H 1 2.8760 0.0001 . . . . . . 45 TYR HB3 . 15325 1 567 . 1 1 45 45 TYR HD1 H 1 7.1140 0.0001 . . . . . . 45 TYR HD# . 15325 1 568 . 1 1 45 45 TYR HD2 H 1 7.1140 0.0001 . . . . . . 45 TYR HD# . 15325 1 569 . 1 1 45 45 TYR HE1 H 1 6.8340 0.0001 . . . . . . 45 TYR HE# . 15325 1 570 . 1 1 45 45 TYR HE2 H 1 6.8340 0.0001 . . . . . . 45 TYR HE# . 15325 1 571 . 1 1 45 45 TYR C C 13 178.4350 0.0001 . . . . . . 45 TYR C . 15325 1 572 . 1 1 45 45 TYR CA C 13 56.6900 0.0001 . . . . . . 45 TYR CA . 15325 1 573 . 1 1 45 45 TYR CB C 13 39.0900 0.0001 . . . . . . 45 TYR CB . 15325 1 574 . 1 1 45 45 TYR CD1 C 13 133.3080 0.0001 . . . . . . 45 TYR CD# . 15325 1 575 . 1 1 45 45 TYR CD2 C 13 133.3080 0.0001 . . . . . . 45 TYR CD# . 15325 1 576 . 1 1 45 45 TYR CE1 C 13 118.3000 0.0001 . . . . . . 45 TYR CE# . 15325 1 577 . 1 1 45 45 TYR CE2 C 13 118.3000 0.0001 . . . . . . 45 TYR CE# . 15325 1 578 . 1 1 45 45 TYR N N 15 122.9470 0.0001 . . . . . . 45 TYR N . 15325 1 579 . 1 1 46 46 PRO HA H 1 3.4610 0.0001 . . . . . . 46 PRO HA . 15325 1 580 . 1 1 46 46 PRO HB2 H 1 1.8440 0.0001 . . . . . . 46 PRO HB# . 15325 1 581 . 1 1 46 46 PRO HB3 H 1 1.8440 0.0001 . . . . . . 46 PRO HB# . 15325 1 582 . 1 1 46 46 PRO HD2 H 1 3.3640 0.0001 . . . . . . 46 PRO HD2 . 15325 1 583 . 1 1 46 46 PRO HD3 H 1 3.7030 0.0001 . . . . . . 46 PRO HD3 . 15325 1 584 . 1 1 46 46 PRO HG2 H 1 1.9780 0.0001 . . . . . . 46 PRO HG2 . 15325 1 585 . 1 1 46 46 PRO HG3 H 1 1.5280 0.0001 . . . . . . 46 PRO HG3 . 15325 1 586 . 1 1 46 46 PRO C C 13 175.9820 0.0001 . . . . . . 46 PRO C . 15325 1 587 . 1 1 46 46 PRO CA C 13 64.6490 0.0001 . . . . . . 46 PRO CA . 15325 1 588 . 1 1 46 46 PRO CB C 13 32.7450 0.0001 . . . . . . 46 PRO CB . 15325 1 589 . 1 1 46 46 PRO CD C 13 50.1200 0.0001 . . . . . . 46 PRO CD . 15325 1 590 . 1 1 46 46 PRO CG C 13 24.9550 0.0001 . . . . . . 46 PRO CG . 15325 1 591 . 1 1 47 47 ALA H H 1 7.6240 0.0001 . . . . . . 47 ALA HN . 15325 1 592 . 1 1 47 47 ALA HA H 1 4.3790 0.0001 . . . . . . 47 ALA HA . 15325 1 593 . 1 1 47 47 ALA HB1 H 1 1.2890 0.0001 . . . . . . 47 ALA HB# . 15325 1 594 . 1 1 47 47 ALA HB2 H 1 1.2890 0.0001 . . . . . . 47 ALA HB# . 15325 1 595 . 1 1 47 47 ALA HB3 H 1 1.2890 0.0001 . . . . . . 47 ALA HB# . 15325 1 596 . 1 1 47 47 ALA C C 13 175.5530 0.0001 . . . . . . 47 ALA C . 15325 1 597 . 1 1 47 47 ALA CA C 13 51.4300 0.0001 . . . . . . 47 ALA CA . 15325 1 598 . 1 1 47 47 ALA CB C 13 19.6450 0.0001 . . . . . . 47 ALA CB . 15325 1 599 . 1 1 47 47 ALA N N 15 123.2600 0.0001 . . . . . . 47 ALA N . 15325 1 600 . 1 1 48 48 LYS H H 1 8.4960 0.0001 . . . . . . 48 LYS HN . 15325 1 601 . 1 1 48 48 LYS HA H 1 4.7140 0.0001 . . . . . . 48 LYS HA . 15325 1 602 . 1 1 48 48 LYS HB2 H 1 1.3860 0.0001 . . . . . . 48 LYS HB# . 15325 1 603 . 1 1 48 48 LYS HB3 H 1 1.3860 0.0001 . . . . . . 48 LYS HB# . 15325 1 604 . 1 1 48 48 LYS HD2 H 1 1.4520 0.0001 . . . . . . 48 LYS HD2 . 15325 1 605 . 1 1 48 48 LYS HD3 H 1 1.3780 0.0001 . . . . . . 48 LYS HD3 . 15325 1 606 . 1 1 48 48 LYS HE2 H 1 2.8280 0.0001 . . . . . . 48 LYS HE# . 15325 1 607 . 1 1 48 48 LYS HE3 H 1 2.8280 0.0001 . . . . . . 48 LYS HE# . 15325 1 608 . 1 1 48 48 LYS HG2 H 1 1.2220 0.0001 . . . . . . 48 LYS HG# . 15325 1 609 . 1 1 48 48 LYS HG3 H 1 1.2220 0.0001 . . . . . . 48 LYS HG# . 15325 1 610 . 1 1 48 48 LYS C C 13 174.4390 0.0001 . . . . . . 48 LYS C . 15325 1 611 . 1 1 48 48 LYS CA C 13 55.1170 0.0001 . . . . . . 48 LYS CA . 15325 1 612 . 1 1 48 48 LYS CB C 13 34.5850 0.0001 . . . . . . 48 LYS CB . 15325 1 613 . 1 1 48 48 LYS CD C 13 30.0580 0.0001 . . . . . . 48 LYS CD . 15325 1 614 . 1 1 48 48 LYS CE C 13 42.0600 0.0001 . . . . . . 48 LYS CE . 15325 1 615 . 1 1 48 48 LYS CG C 13 25.3170 0.0001 . . . . . . 48 LYS CG . 15325 1 616 . 1 1 48 48 LYS N N 15 121.2270 0.0001 . . . . . . 48 LYS N . 15325 1 617 . 1 1 49 49 LEU H H 1 7.8760 0.0001 . . . . . . 49 LEU HN . 15325 1 618 . 1 1 49 49 LEU HA H 1 4.4050 0.0001 . . . . . . 49 LEU HA . 15325 1 619 . 1 1 49 49 LEU HB2 H 1 0.6450 0.0001 . . . . . . 49 LEU HB2 . 15325 1 620 . 1 1 49 49 LEU HB3 H 1 -0.9800 0.0001 . . . . . . 49 LEU HB3 . 15325 1 621 . 1 1 49 49 LEU HD11 H 1 -0.1210 0.0001 . . . . . . 49 LEU HD1# . 15325 1 622 . 1 1 49 49 LEU HD12 H 1 -0.1210 0.0001 . . . . . . 49 LEU HD1# . 15325 1 623 . 1 1 49 49 LEU HD13 H 1 -0.1210 0.0001 . . . . . . 49 LEU HD1# . 15325 1 624 . 1 1 49 49 LEU HD21 H 1 0.1660 0.0001 . . . . . . 49 LEU HD2# . 15325 1 625 . 1 1 49 49 LEU HD22 H 1 0.1660 0.0001 . . . . . . 49 LEU HD2# . 15325 1 626 . 1 1 49 49 LEU HD23 H 1 0.1660 0.0001 . . . . . . 49 LEU HD2# . 15325 1 627 . 1 1 49 49 LEU HG H 1 0.8660 0.0001 . . . . . . 49 LEU HG . 15325 1 628 . 1 1 49 49 LEU C C 13 174.8170 0.0001 . . . . . . 49 LEU C . 15325 1 629 . 1 1 49 49 LEU CA C 13 53.3740 0.0001 . . . . . . 49 LEU CA . 15325 1 630 . 1 1 49 49 LEU CB C 13 43.4870 0.0001 . . . . . . 49 LEU CB . 15325 1 631 . 1 1 49 49 LEU CD1 C 13 26.1870 0.0001 . . . . . . 49 LEU CD1 . 15325 1 632 . 1 1 49 49 LEU CD2 C 13 23.0490 0.0001 . . . . . . 49 LEU CD2 . 15325 1 633 . 1 1 49 49 LEU CG C 13 26.4150 0.0001 . . . . . . 49 LEU CG . 15325 1 634 . 1 1 49 49 LEU N N 15 122.4800 0.0001 . . . . . . 49 LEU N . 15325 1 635 . 1 1 50 50 SER H H 1 8.8900 0.0001 . . . . . . 50 SER HN . 15325 1 636 . 1 1 50 50 SER HA H 1 5.5000 0.0001 . . . . . . 50 SER HA . 15325 1 637 . 1 1 50 50 SER HB2 H 1 3.4890 0.0001 . . . . . . 50 SER HB2 . 15325 1 638 . 1 1 50 50 SER HB3 H 1 3.5720 0.0001 . . . . . . 50 SER HB3 . 15325 1 639 . 1 1 50 50 SER C C 13 173.8440 0.0001 . . . . . . 50 SER C . 15325 1 640 . 1 1 50 50 SER CA C 13 55.4120 0.0001 . . . . . . 50 SER CA . 15325 1 641 . 1 1 50 50 SER CB C 13 65.5300 0.0001 . . . . . . 50 SER CB . 15325 1 642 . 1 1 50 50 SER N N 15 121.6960 0.0001 . . . . . . 50 SER N . 15325 1 643 . 1 1 51 51 ILE H H 1 8.6830 0.0001 . . . . . . 51 ILE HN . 15325 1 644 . 1 1 51 51 ILE HA H 1 4.7240 0.0001 . . . . . . 51 ILE HA . 15325 1 645 . 1 1 51 51 ILE HB H 1 1.9220 0.0001 . . . . . . 51 ILE HB . 15325 1 646 . 1 1 51 51 ILE HD11 H 1 0.9780 0.0001 . . . . . . 51 ILE HD1# . 15325 1 647 . 1 1 51 51 ILE HD12 H 1 0.9780 0.0001 . . . . . . 51 ILE HD1# . 15325 1 648 . 1 1 51 51 ILE HD13 H 1 0.9780 0.0001 . . . . . . 51 ILE HD1# . 15325 1 649 . 1 1 51 51 ILE HG12 H 1 1.5000 0.0001 . . . . . . 51 ILE HG12 . 15325 1 650 . 1 1 51 51 ILE HG13 H 1 1.1740 0.0001 . . . . . . 51 ILE HG13 . 15325 1 651 . 1 1 51 51 ILE HG21 H 1 0.8370 0.0001 . . . . . . 51 ILE HG2# . 15325 1 652 . 1 1 51 51 ILE HG22 H 1 0.8370 0.0001 . . . . . . 51 ILE HG2# . 15325 1 653 . 1 1 51 51 ILE HG23 H 1 0.8370 0.0001 . . . . . . 51 ILE HG2# . 15325 1 654 . 1 1 51 51 ILE C C 13 174.0820 0.0001 . . . . . . 51 ILE C . 15325 1 655 . 1 1 51 51 ILE CA C 13 59.8430 0.0001 . . . . . . 51 ILE CA . 15325 1 656 . 1 1 51 51 ILE CB C 13 42.8560 0.0001 . . . . . . 51 ILE CB . 15325 1 657 . 1 1 51 51 ILE CD1 C 13 14.6200 0.0001 . . . . . . 51 ILE CD1 . 15325 1 658 . 1 1 51 51 ILE CG1 C 13 25.3800 0.0001 . . . . . . 51 ILE CG1 . 15325 1 659 . 1 1 51 51 ILE CG2 C 13 18.8070 0.0001 . . . . . . 51 ILE CG2 . 15325 1 660 . 1 1 51 51 ILE N N 15 118.0390 0.0001 . . . . . . 51 ILE N . 15325 1 661 . 1 1 52 52 THR H H 1 8.5150 0.0001 . . . . . . 52 THR HN . 15325 1 662 . 1 1 52 52 THR HA H 1 5.0510 0.0001 . . . . . . 52 THR HA . 15325 1 663 . 1 1 52 52 THR HB H 1 3.7240 0.0001 . . . . . . 52 THR HB . 15325 1 664 . 1 1 52 52 THR HG21 H 1 0.9400 0.0001 . . . . . . 52 THR HG2# . 15325 1 665 . 1 1 52 52 THR HG22 H 1 0.9400 0.0001 . . . . . . 52 THR HG2# . 15325 1 666 . 1 1 52 52 THR HG23 H 1 0.9400 0.0001 . . . . . . 52 THR HG2# . 15325 1 667 . 1 1 52 52 THR C C 13 173.2490 0.0001 . . . . . . 52 THR C . 15325 1 668 . 1 1 52 52 THR CA C 13 61.8700 0.0001 . . . . . . 52 THR CA . 15325 1 669 . 1 1 52 52 THR CB C 13 70.7000 0.0001 . . . . . . 52 THR CB . 15325 1 670 . 1 1 52 52 THR CG2 C 13 20.8870 0.0001 . . . . . . 52 THR CG2 . 15325 1 671 . 1 1 52 52 THR N N 15 118.5870 0.0001 . . . . . . 52 THR N . 15325 1 672 . 1 1 53 53 ILE H H 1 8.7150 0.0001 . . . . . . 53 ILE HN . 15325 1 673 . 1 1 53 53 ILE HA H 1 4.4800 0.0001 . . . . . . 53 ILE HA . 15325 1 674 . 1 1 53 53 ILE HB H 1 1.8000 0.0001 . . . . . . 53 ILE HB . 15325 1 675 . 1 1 53 53 ILE HD11 H 1 1.0060 0.0001 . . . . . . 53 ILE HD1# . 15325 1 676 . 1 1 53 53 ILE HD12 H 1 1.0060 0.0001 . . . . . . 53 ILE HD1# . 15325 1 677 . 1 1 53 53 ILE HD13 H 1 1.0060 0.0001 . . . . . . 53 ILE HD1# . 15325 1 678 . 1 1 53 53 ILE HG12 H 1 1.2200 0.0001 . . . . . . 53 ILE HG12 . 15325 1 679 . 1 1 53 53 ILE HG13 H 1 1.5610 0.0001 . . . . . . 53 ILE HG13 . 15325 1 680 . 1 1 53 53 ILE HG21 H 1 0.9700 0.0001 . . . . . . 53 ILE HG2# . 15325 1 681 . 1 1 53 53 ILE HG22 H 1 0.9700 0.0001 . . . . . . 53 ILE HG2# . 15325 1 682 . 1 1 53 53 ILE HG23 H 1 0.9700 0.0001 . . . . . . 53 ILE HG2# . 15325 1 683 . 1 1 53 53 ILE C C 13 175.5530 0.0001 . . . . . . 53 ILE C . 15325 1 684 . 1 1 53 53 ILE CA C 13 59.0310 0.0001 . . . . . . 53 ILE CA . 15325 1 685 . 1 1 53 53 ILE CB C 13 40.7150 0.0001 . . . . . . 53 ILE CB . 15325 1 686 . 1 1 53 53 ILE CD1 C 13 14.0600 0.0001 . . . . . . 53 ILE CD1 . 15325 1 687 . 1 1 53 53 ILE CG1 C 13 27.5200 0.0001 . . . . . . 53 ILE CG1 . 15325 1 688 . 1 1 53 53 ILE CG2 C 13 17.1190 0.0001 . . . . . . 53 ILE CG2 . 15325 1 689 . 1 1 53 53 ILE N N 15 125.5620 0.0001 . . . . . . 53 ILE N . 15325 1 690 . 1 1 54 54 ASP H H 1 9.3840 0.0001 . . . . . . 54 ASP HN . 15325 1 691 . 1 1 54 54 ASP HA H 1 4.3160 0.0001 . . . . . . 54 ASP HA . 15325 1 692 . 1 1 54 54 ASP HB2 H 1 2.9880 0.0001 . . . . . . 54 ASP HB2 . 15325 1 693 . 1 1 54 54 ASP HB3 H 1 2.6610 0.0001 . . . . . . 54 ASP HB3 . 15325 1 694 . 1 1 54 54 ASP C C 13 176.0940 0.0001 . . . . . . 54 ASP C . 15325 1 695 . 1 1 54 54 ASP CA C 13 55.4900 0.0001 . . . . . . 54 ASP CA . 15325 1 696 . 1 1 54 54 ASP CB C 13 39.7410 0.0001 . . . . . . 54 ASP CB . 15325 1 697 . 1 1 54 54 ASP N N 15 129.2150 0.0001 . . . . . . 54 ASP N . 15325 1 698 . 1 1 55 55 GLY H H 1 8.4480 0.0001 . . . . . . 55 GLY HN . 15325 1 699 . 1 1 55 55 GLY HA2 H 1 4.1600 0.0001 . . . . . . 55 GLY HA2 . 15325 1 700 . 1 1 55 55 GLY HA3 H 1 3.5400 0.0001 . . . . . . 55 GLY HA3 . 15325 1 701 . 1 1 55 55 GLY C C 13 173.6600 0.0001 . . . . . . 55 GLY C . 15325 1 702 . 1 1 55 55 GLY CA C 13 45.4410 0.0001 . . . . . . 55 GLY CA . 15325 1 703 . 1 1 55 55 GLY N N 15 101.6 0.0001 . . . . . . 55 GLY N . 15325 1 704 . 1 1 56 56 GLU H H 1 7.8850 0.0001 . . . . . . 56 GLU HN . 15325 1 705 . 1 1 56 56 GLU HA H 1 4.6920 0.0001 . . . . . . 56 GLU HA . 15325 1 706 . 1 1 56 56 GLU HB2 H 1 1.9700 0.0001 . . . . . . 56 GLU HB2 . 15325 1 707 . 1 1 56 56 GLU HB3 H 1 2.0710 0.0001 . . . . . . 56 GLU HB3 . 15325 1 708 . 1 1 56 56 GLU HG2 H 1 2.1420 0.0001 . . . . . . 56 GLU HG2 . 15325 1 709 . 1 1 56 56 GLU HG3 H 1 2.2750 0.0001 . . . . . . 56 GLU HG3 . 15325 1 710 . 1 1 56 56 GLU C C 13 174.9900 0.0001 . . . . . . 56 GLU C . 15325 1 711 . 1 1 56 56 GLU CA C 13 54.8950 0.0001 . . . . . . 56 GLU CA . 15325 1 712 . 1 1 56 56 GLU CB C 13 32.1470 0.0001 . . . . . . 56 GLU CB . 15325 1 713 . 1 1 56 56 GLU CG C 13 36.3900 0.0001 . . . . . . 56 GLU CG . 15325 1 714 . 1 1 56 56 GLU N N 15 121.5640 0.0001 . . . . . . 56 GLU N . 15325 1 715 . 1 1 57 57 THR H H 1 8.7670 0.0001 . . . . . . 57 THR HN . 15325 1 716 . 1 1 57 57 THR HA H 1 5.0890 0.0001 . . . . . . 57 THR HA . 15325 1 717 . 1 1 57 57 THR HB H 1 3.8500 0.0001 . . . . . . 57 THR HB . 15325 1 718 . 1 1 57 57 THR HG21 H 1 0.9970 0.0001 . . . . . . 57 THR HG2# . 15325 1 719 . 1 1 57 57 THR HG22 H 1 0.9970 0.0001 . . . . . . 57 THR HG2# . 15325 1 720 . 1 1 57 57 THR HG23 H 1 0.9970 0.0001 . . . . . . 57 THR HG2# . 15325 1 721 . 1 1 57 57 THR C C 13 174.2660 0.0001 . . . . . . 57 THR C . 15325 1 722 . 1 1 57 57 THR CA C 13 62.5760 0.0001 . . . . . . 57 THR CA . 15325 1 723 . 1 1 57 57 THR CB C 13 69.8140 0.0001 . . . . . . 57 THR CB . 15325 1 724 . 1 1 57 57 THR CG2 C 13 21.4610 0.0001 . . . . . . 57 THR CG2 . 15325 1 725 . 1 1 57 57 THR N N 15 122.5790 0.0001 . . . . . . 57 THR N . 15325 1 726 . 1 1 58 58 LYS H H 1 9.0430 0.0001 . . . . . . 58 LYS HN . 15325 1 727 . 1 1 58 58 LYS HA H 1 4.4000 0.0001 . . . . . . 58 LYS HA . 15325 1 728 . 1 1 58 58 LYS HB2 H 1 1.3390 0.0001 . . . . . . 58 LYS HB2 . 15325 1 729 . 1 1 58 58 LYS HB3 H 1 1.1980 0.0001 . . . . . . 58 LYS HB3 . 15325 1 730 . 1 1 58 58 LYS HD2 H 1 1.4250 0.0001 . . . . . . 58 LYS HD2 . 15325 1 731 . 1 1 58 58 LYS HD3 H 1 1.4270 0.0001 . . . . . . 58 LYS HD3 . 15325 1 732 . 1 1 58 58 LYS HE2 H 1 2.7620 0.0001 . . . . . . 58 LYS HE2 . 15325 1 733 . 1 1 58 58 LYS HE3 H 1 2.9040 0.0001 . . . . . . 58 LYS HE3 . 15325 1 734 . 1 1 58 58 LYS HG2 H 1 1.1320 0.0001 . . . . . . 58 LYS HG2 . 15325 1 735 . 1 1 58 58 LYS C C 13 173.4870 0.0001 . . . . . . 58 LYS C . 15325 1 736 . 1 1 58 58 LYS CA C 13 54.2100 0.0001 . . . . . . 58 LYS CA . 15325 1 737 . 1 1 58 58 LYS CB C 13 35.6190 0.0001 . . . . . . 58 LYS CB . 15325 1 738 . 1 1 58 58 LYS CD C 13 28.2000 0.0001 . . . . . . 58 LYS CD . 15325 1 739 . 1 1 58 58 LYS CE C 13 42.0000 0.0001 . . . . . . 58 LYS CE . 15325 1 740 . 1 1 58 58 LYS CG C 13 24.4470 0.0001 . . . . . . 58 LYS CG . 15325 1 741 . 1 1 58 58 LYS N N 15 128.8720 0.0001 . . . . . . 58 LYS N . 15325 1 742 . 1 1 59 59 VAL H H 1 7.7840 0.0001 . . . . . . 59 VAL HN . 15325 1 743 . 1 1 59 59 VAL HA H 1 4.6700 0.0001 . . . . . . 59 VAL HA . 15325 1 744 . 1 1 59 59 VAL HB H 1 1.6460 0.0001 . . . . . . 59 VAL HB . 15325 1 745 . 1 1 59 59 VAL HG11 H 1 0.5550 0.0001 . . . . . . 59 VAL HG1# . 15325 1 746 . 1 1 59 59 VAL HG12 H 1 0.5550 0.0001 . . . . . . 59 VAL HG1# . 15325 1 747 . 1 1 59 59 VAL HG13 H 1 0.5550 0.0001 . . . . . . 59 VAL HG1# . 15325 1 748 . 1 1 59 59 VAL HG21 H 1 0.6800 0.0001 . . . . . . 59 VAL HG2# . 15325 1 749 . 1 1 59 59 VAL HG22 H 1 0.6800 0.0001 . . . . . . 59 VAL HG2# . 15325 1 750 . 1 1 59 59 VAL HG23 H 1 0.6800 0.0001 . . . . . . 59 VAL HG2# . 15325 1 751 . 1 1 59 59 VAL C C 13 175.1530 0.0001 . . . . . . 59 VAL C . 15325 1 752 . 1 1 59 59 VAL CA C 13 60.5080 0.0001 . . . . . . 59 VAL CA . 15325 1 753 . 1 1 59 59 VAL CB C 13 33.6980 0.0001 . . . . . . 59 VAL CB . 15325 1 754 . 1 1 59 59 VAL CG1 C 13 21.6040 0.0001 . . . . . . 59 VAL CG1 . 15325 1 755 . 1 1 59 59 VAL CG2 C 13 20.9600 0.0001 . . . . . . 59 VAL CG2 . 15325 1 756 . 1 1 59 59 VAL N N 15 120.3620 0.0001 . . . . . . 59 VAL N . 15325 1 757 . 1 1 60 60 PHE H H 1 9.2700 0.0001 . . . . . . 60 PHE HN . 15325 1 758 . 1 1 60 60 PHE HA H 1 4.8950 0.0001 . . . . . . 60 PHE HA . 15325 1 759 . 1 1 60 60 PHE HB2 H 1 3.3170 0.0001 . . . . . . 60 PHE HB2 . 15325 1 760 . 1 1 60 60 PHE HB3 H 1 2.9430 0.0001 . . . . . . 60 PHE HB3 . 15325 1 761 . 1 1 60 60 PHE HD1 H 1 7.0850 0.0001 . . . . . . 60 PHE HD# . 15325 1 762 . 1 1 60 60 PHE HD2 H 1 7.0850 0.0001 . . . . . . 60 PHE HD# . 15325 1 763 . 1 1 60 60 PHE HE1 H 1 6.9770 0.0001 . . . . . . 60 PHE HE# . 15325 1 764 . 1 1 60 60 PHE HE2 H 1 6.9770 0.0001 . . . . . . 60 PHE HE# . 15325 1 765 . 1 1 60 60 PHE HZ H 1 6.2060 0.0001 . . . . . . 60 PHE HZ . 15325 1 766 . 1 1 60 60 PHE C C 13 175.8020 0.0001 . . . . . . 60 PHE C . 15325 1 767 . 1 1 60 60 PHE CA C 13 56.3700 0.0001 . . . . . . 60 PHE CA . 15325 1 768 . 1 1 60 60 PHE CB C 13 41.9700 0.0001 . . . . . . 60 PHE CB . 15325 1 769 . 1 1 60 60 PHE CD1 C 13 132.0670 0.0001 . . . . . . 60 PHE CD# . 15325 1 770 . 1 1 60 60 PHE CD2 C 13 132.0670 0.0001 . . . . . . 60 PHE CD# . 15325 1 771 . 1 1 60 60 PHE CE1 C 13 131.2640 0.0001 . . . . . . 60 PHE CE# . 15325 1 772 . 1 1 60 60 PHE CE2 C 13 131.2640 0.0001 . . . . . . 60 PHE CE# . 15325 1 773 . 1 1 60 60 PHE CZ C 13 129.6730 0.0001 . . . . . . 60 PHE CZ . 15325 1 774 . 1 1 60 60 PHE N N 15 125.1330 0.0001 . . . . . . 60 PHE N . 15325 1 775 . 1 1 61 61 HIS H H 1 9.4660 0.0001 . . . . . . 61 HIS HN . 15325 1 776 . 1 1 61 61 HIS HA H 1 4.3120 0.0001 . . . . . . 61 HIS HA . 15325 1 777 . 1 1 61 61 HIS HB2 H 1 3.2160 0.0001 . . . . . . 61 HIS HB# . 15325 1 778 . 1 1 61 61 HIS HB3 H 1 3.2160 0.0001 . . . . . . 61 HIS HB# . 15325 1 779 . 1 1 61 61 HIS HD2 H 1 7.0890 0.0001 . . . . . . 61 HIS HD2 . 15325 1 780 . 1 1 61 61 HIS HE1 H 1 7.8960 0.0001 . . . . . . 61 HIS HE1 . 15325 1 781 . 1 1 61 61 HIS C C 13 174.0490 0.0001 . . . . . . 61 HIS C . 15325 1 782 . 1 1 61 61 HIS CA C 13 59.1800 0.0001 . . . . . . 61 HIS CA . 15325 1 783 . 1 1 61 61 HIS CB C 13 31.4090 0.0001 . . . . . . 61 HIS CB . 15325 1 784 . 1 1 61 61 HIS CD2 C 13 119.6060 0.0001 . . . . . . 61 HIS CD2 . 15325 1 785 . 1 1 61 61 HIS CE1 C 13 138.3800 0.0001 . . . . . . 61 HIS CE1 . 15325 1 786 . 1 1 61 61 HIS N N 15 121.8690 0.0001 . . . . . . 61 HIS N . 15325 1 787 . 1 1 62 62 ASP H H 1 7.6670 0.0001 . . . . . . 62 ASP HN . 15325 1 788 . 1 1 62 62 ASP HA H 1 4.9440 0.0001 . . . . . . 62 ASP HA . 15325 1 789 . 1 1 62 62 ASP HB2 H 1 2.9900 0.0001 . . . . . . 62 ASP HB# . 15325 1 790 . 1 1 62 62 ASP HB3 H 1 2.9900 0.0001 . . . . . . 62 ASP HB# . 15325 1 791 . 1 1 62 62 ASP C C 13 175.9240 0.0001 . . . . . . 62 ASP C . 15325 1 792 . 1 1 62 62 ASP CA C 13 53.0660 0.0001 . . . . . . 62 ASP CA . 15325 1 793 . 1 1 62 62 ASP CB C 13 43.4150 0.0001 . . . . . . 62 ASP CB . 15325 1 794 . 1 1 62 62 ASP N N 15 110.8880 0.0001 . . . . . . 62 ASP N . 15325 1 795 . 1 1 63 63 LYS H H 1 8.5560 0.0001 . . . . . . 63 LYS HN . 15325 1 796 . 1 1 63 63 LYS HA H 1 3.8640 0.0001 . . . . . . 63 LYS HA . 15325 1 797 . 1 1 63 63 LYS HB2 H 1 1.0410 0.0001 . . . . . . 63 LYS HB2 . 15325 1 798 . 1 1 63 63 LYS HB3 H 1 1.5660 0.0001 . . . . . . 63 LYS HB3 . 15325 1 799 . 1 1 63 63 LYS HD2 H 1 1.2560 0.0001 . . . . . . 63 LYS HD# . 15325 1 800 . 1 1 63 63 LYS HD3 H 1 1.2560 0.0001 . . . . . . 63 LYS HD# . 15325 1 801 . 1 1 63 63 LYS HG2 H 1 0.9610 0.0001 . . . . . . 63 LYS HG2 . 15325 1 802 . 1 1 63 63 LYS HG3 H 1 1.0810 0.0001 . . . . . . 63 LYS HG3 . 15325 1 803 . 1 1 63 63 LYS C C 13 178.5380 0.0001 . . . . . . 63 LYS C . 15325 1 804 . 1 1 63 63 LYS CA C 13 59.3700 0.0001 . . . . . . 63 LYS CA . 15325 1 805 . 1 1 63 63 LYS CB C 13 32.0880 0.0001 . . . . . . 63 LYS CB . 15325 1 806 . 1 1 63 63 LYS CD C 13 29.2290 0.0001 . . . . . . 63 LYS CD . 15325 1 807 . 1 1 63 63 LYS CG C 13 24.8810 0.0001 . . . . . . 63 LYS CG . 15325 1 808 . 1 1 63 63 LYS N N 15 121.2260 0.0001 . . . . . . 63 LYS N . 15325 1 809 . 1 1 64 64 THR H H 1 8.3460 0.0001 . . . . . . 64 THR HN . 15325 1 810 . 1 1 64 64 THR HA H 1 4.0860 0.0001 . . . . . . 64 THR HA . 15325 1 811 . 1 1 64 64 THR HB H 1 4.3460 0.0001 . . . . . . 64 THR HB . 15325 1 812 . 1 1 64 64 THR HG21 H 1 1.2420 0.0001 . . . . . . 64 THR HG2# . 15325 1 813 . 1 1 64 64 THR HG22 H 1 1.2420 0.0001 . . . . . . 64 THR HG2# . 15325 1 814 . 1 1 64 64 THR HG23 H 1 1.2420 0.0001 . . . . . . 64 THR HG2# . 15325 1 815 . 1 1 64 64 THR C C 13 177.1780 0.0001 . . . . . . 64 THR C . 15325 1 816 . 1 1 64 64 THR CA C 13 66.5000 0.0001 . . . . . . 64 THR CA . 15325 1 817 . 1 1 64 64 THR CB C 13 68.1150 0.0001 . . . . . . 64 THR CB . 15325 1 818 . 1 1 64 64 THR CG2 C 13 21.9900 0.0001 . . . . . . 64 THR CG2 . 15325 1 819 . 1 1 64 64 THR N N 15 118.2400 0.0001 . . . . . . 64 THR N . 15325 1 820 . 1 1 65 65 LYS H H 1 8.3560 0.0001 . . . . . . 65 LYS HN . 15325 1 821 . 1 1 65 65 LYS HA H 1 4.3120 0.0001 . . . . . . 65 LYS HA . 15325 1 822 . 1 1 65 65 LYS HB2 H 1 2.3500 0.0001 . . . . . . 65 LYS HB# . 15325 1 823 . 1 1 65 65 LYS HB3 H 1 2.3500 0.0001 . . . . . . 65 LYS HB# . 15325 1 824 . 1 1 65 65 LYS HD2 H 1 1.8670 0.0001 . . . . . . 65 LYS HD# . 15325 1 825 . 1 1 65 65 LYS HD3 H 1 1.8670 0.0001 . . . . . . 65 LYS HD# . 15325 1 826 . 1 1 65 65 LYS HE2 H 1 3.1580 0.0001 . . . . . . 65 LYS HE# . 15325 1 827 . 1 1 65 65 LYS HE3 H 1 3.1580 0.0001 . . . . . . 65 LYS HE# . 15325 1 828 . 1 1 65 65 LYS HG2 H 1 1.8880 0.0001 . . . . . . 65 LYS HG# . 15325 1 829 . 1 1 65 65 LYS HG3 H 1 1.8880 0.0001 . . . . . . 65 LYS HG# . 15325 1 830 . 1 1 65 65 LYS C C 13 180.1720 0.0001 . . . . . . 65 LYS C . 15325 1 831 . 1 1 65 65 LYS CA C 13 58.2300 0.0001 . . . . . . 65 LYS CA . 15325 1 832 . 1 1 65 65 LYS CB C 13 32.1010 0.0001 . . . . . . 65 LYS CB . 15325 1 833 . 1 1 65 65 LYS CD C 13 28.0680 0.0001 . . . . . . 65 LYS CD . 15325 1 834 . 1 1 65 65 LYS CE C 13 42.3660 0.0001 . . . . . . 65 LYS CE . 15325 1 835 . 1 1 65 65 LYS CG C 13 25.1600 0.0001 . . . . . . 65 LYS CG . 15325 1 836 . 1 1 65 65 LYS N N 15 121.9620 0.0001 . . . . . . 65 LYS N . 15325 1 837 . 1 1 66 66 PHE H H 1 7.8530 0.0001 . . . . . . 66 PHE HN . 15325 1 838 . 1 1 66 66 PHE HA H 1 3.8150 0.0001 . . . . . . 66 PHE HA . 15325 1 839 . 1 1 66 66 PHE HB2 H 1 2.9740 0.0001 . . . . . . 66 PHE HB2 . 15325 1 840 . 1 1 66 66 PHE HB3 H 1 3.3680 0.0001 . . . . . . 66 PHE HB3 . 15325 1 841 . 1 1 66 66 PHE HD1 H 1 6.4910 0.0001 . . . . . . 66 PHE HD# . 15325 1 842 . 1 1 66 66 PHE HD2 H 1 6.4910 0.0001 . . . . . . 66 PHE HD# . 15325 1 843 . 1 1 66 66 PHE HE1 H 1 7.0410 0.0001 . . . . . . 66 PHE HE# . 15325 1 844 . 1 1 66 66 PHE HE2 H 1 7.0410 0.0001 . . . . . . 66 PHE HE# . 15325 1 845 . 1 1 66 66 PHE HZ H 1 6.9940 0.0001 . . . . . . 66 PHE HZ . 15325 1 846 . 1 1 66 66 PHE C C 13 175.7910 0.0001 . . . . . . 66 PHE C . 15325 1 847 . 1 1 66 66 PHE CA C 13 61.0300 0.0001 . . . . . . 66 PHE CA . 15325 1 848 . 1 1 66 66 PHE CB C 13 39.6590 0.0001 . . . . . . 66 PHE CB . 15325 1 849 . 1 1 66 66 PHE CD1 C 13 131.6920 0.0001 . . . . . . 66 PHE CD# . 15325 1 850 . 1 1 66 66 PHE CD2 C 13 131.6920 0.0001 . . . . . . 66 PHE CD# . 15325 1 851 . 1 1 66 66 PHE CE1 C 13 130.3310 0.0001 . . . . . . 66 PHE CE# . 15325 1 852 . 1 1 66 66 PHE CE2 C 13 130.3310 0.0001 . . . . . . 66 PHE CE# . 15325 1 853 . 1 1 66 66 PHE CZ C 13 129.1490 0.0001 . . . . . . 66 PHE CZ . 15325 1 854 . 1 1 66 66 PHE N N 15 120.7790 0.0001 . . . . . . 66 PHE N . 15325 1 855 . 1 1 67 67 THR H H 1 8.7880 0.0001 . . . . . . 67 THR HN . 15325 1 856 . 1 1 67 67 THR HA H 1 3.5530 0.0001 . . . . . . 67 THR HA . 15325 1 857 . 1 1 67 67 THR HB H 1 4.3340 0.0001 . . . . . . 67 THR HB . 15325 1 858 . 1 1 67 67 THR HG21 H 1 1.2610 0.0001 . . . . . . 67 THR HG2# . 15325 1 859 . 1 1 67 67 THR HG22 H 1 1.2610 0.0001 . . . . . . 67 THR HG2# . 15325 1 860 . 1 1 67 67 THR HG23 H 1 1.2610 0.0001 . . . . . . 67 THR HG2# . 15325 1 861 . 1 1 67 67 THR C C 13 177.3050 0.0001 . . . . . . 67 THR C . 15325 1 862 . 1 1 67 67 THR CA C 13 67.0500 0.0001 . . . . . . 67 THR CA . 15325 1 863 . 1 1 67 67 THR CB C 13 68.4110 0.0001 . . . . . . 67 THR CB . 15325 1 864 . 1 1 67 67 THR CG2 C 13 22.0400 0.0001 . . . . . . 67 THR CG2 . 15325 1 865 . 1 1 67 67 THR N N 15 116.5780 0.0001 . . . . . . 67 THR N . 15325 1 866 . 1 1 68 68 GLN H H 1 8.1160 0.0001 . . . . . . 68 GLN HN . 15325 1 867 . 1 1 68 68 GLN HA H 1 4.0750 0.0001 . . . . . . 68 GLN HA . 15325 1 868 . 1 1 68 68 GLN HB2 H 1 2.1680 0.0001 . . . . . . 68 GLN HB2 . 15325 1 869 . 1 1 68 68 GLN HB3 H 1 2.2710 0.0001 . . . . . . 68 GLN HB3 . 15325 1 870 . 1 1 68 68 GLN HE21 H 1 7.4350 0.0001 . . . . . . 68 GLN HE21 . 15325 1 871 . 1 1 68 68 GLN HE22 H 1 6.7990 0.0001 . . . . . . 68 GLN HE22 . 15325 1 872 . 1 1 68 68 GLN HG2 H 1 2.6030 0.0001 . . . . . . 68 GLN HG2 . 15325 1 873 . 1 1 68 68 GLN HG3 H 1 2.4450 0.0001 . . . . . . 68 GLN HG3 . 15325 1 874 . 1 1 68 68 GLN C C 13 178.8740 0.0001 . . . . . . 68 GLN C . 15325 1 875 . 1 1 68 68 GLN CA C 13 59.2900 0.0001 . . . . . . 68 GLN CA . 15325 1 876 . 1 1 68 68 GLN CB C 13 28.2190 0.0001 . . . . . . 68 GLN CB . 15325 1 877 . 1 1 68 68 GLN CG C 13 33.8030 0.0001 . . . . . . 68 GLN CG . 15325 1 878 . 1 1 68 68 GLN N N 15 121.6310 0.0001 . . . . . . 68 GLN N . 15325 1 879 . 1 1 68 68 GLN NE2 N 15 111.8300 0.0001 . . . . . . 68 GLN NE2 . 15325 1 880 . 1 1 69 69 TYR H H 1 7.8190 0.0001 . . . . . . 69 TYR HN . 15325 1 881 . 1 1 69 69 TYR HA H 1 4.2840 0.0001 . . . . . . 69 TYR HA . 15325 1 882 . 1 1 69 69 TYR HB2 H 1 3.0300 0.0001 . . . . . . 69 TYR HB2 . 15325 1 883 . 1 1 69 69 TYR HB3 H 1 3.4500 0.0001 . . . . . . 69 TYR HB3 . 15325 1 884 . 1 1 69 69 TYR HD1 H 1 6.9500 0.0001 . . . . . . 69 TYR HD# . 15325 1 885 . 1 1 69 69 TYR HD2 H 1 6.9500 0.0001 . . . . . . 69 TYR HD# . 15325 1 886 . 1 1 69 69 TYR HE1 H 1 6.7670 0.0001 . . . . . . 69 TYR HE# . 15325 1 887 . 1 1 69 69 TYR HE2 H 1 6.7670 0.0001 . . . . . . 69 TYR HE# . 15325 1 888 . 1 1 69 69 TYR C C 13 178.4410 0.0001 . . . . . . 69 TYR C . 15325 1 889 . 1 1 69 69 TYR CA C 13 61.0500 0.0001 . . . . . . 69 TYR CA . 15325 1 890 . 1 1 69 69 TYR CB C 13 38.4400 0.0001 . . . . . . 69 TYR CB . 15325 1 891 . 1 1 69 69 TYR CD1 C 13 133.5500 0.0001 . . . . . . 69 TYR CD# . 15325 1 892 . 1 1 69 69 TYR CD2 C 13 133.5500 0.0001 . . . . . . 69 TYR CD# . 15325 1 893 . 1 1 69 69 TYR CE1 C 13 117.7910 0.0001 . . . . . . 69 TYR CE# . 15325 1 894 . 1 1 69 69 TYR CE2 C 13 117.7910 0.0001 . . . . . . 69 TYR CE# . 15325 1 895 . 1 1 69 69 TYR N N 15 122.3740 0.0001 . . . . . . 69 TYR N . 15325 1 896 . 1 1 70 70 LEU H H 1 8.1790 0.0001 . . . . . . 70 LEU HN . 15325 1 897 . 1 1 70 70 LEU HA H 1 3.4430 0.0001 . . . . . . 70 LEU HA . 15325 1 898 . 1 1 70 70 LEU HB2 H 1 1.2260 0.0001 . . . . . . 70 LEU HB2 . 15325 1 899 . 1 1 70 70 LEU HB3 H 1 1.4520 0.0001 . . . . . . 70 LEU HB3 . 15325 1 900 . 1 1 70 70 LEU HD11 H 1 0.5170 0.0001 . . . . . . 70 LEU HD1# . 15325 1 901 . 1 1 70 70 LEU HD12 H 1 0.5170 0.0001 . . . . . . 70 LEU HD1# . 15325 1 902 . 1 1 70 70 LEU HD13 H 1 0.5170 0.0001 . . . . . . 70 LEU HD1# . 15325 1 903 . 1 1 70 70 LEU HD21 H 1 0.6050 0.0001 . . . . . . 70 LEU HD2# . 15325 1 904 . 1 1 70 70 LEU HD22 H 1 0.6050 0.0001 . . . . . . 70 LEU HD2# . 15325 1 905 . 1 1 70 70 LEU HD23 H 1 0.6050 0.0001 . . . . . . 70 LEU HD2# . 15325 1 906 . 1 1 70 70 LEU HG H 1 1.2370 0.0001 . . . . . . 70 LEU HG . 15325 1 907 . 1 1 70 70 LEU C C 13 178.2570 0.0001 . . . . . . 70 LEU C . 15325 1 908 . 1 1 70 70 LEU CA C 13 57.7600 0.0001 . . . . . . 70 LEU CA . 15325 1 909 . 1 1 70 70 LEU CB C 13 41.3050 0.0001 . . . . . . 70 LEU CB . 15325 1 910 . 1 1 70 70 LEU CD1 C 13 23.7010 0.0001 . . . . . . 70 LEU CD1 . 15325 1 911 . 1 1 70 70 LEU CD2 C 13 25.5230 0.0001 . . . . . . 70 LEU CD2 . 15325 1 912 . 1 1 70 70 LEU CG C 13 25.7900 0.0001 . . . . . . 70 LEU CG . 15325 1 913 . 1 1 70 70 LEU N N 15 120.8190 0.0001 . . . . . . 70 LEU N . 15325 1 914 . 1 1 71 71 SER H H 1 7.3890 0.0001 . . . . . . 71 SER HN . 15325 1 915 . 1 1 71 71 SER HA H 1 4.0940 0.0001 . . . . . . 71 SER HA . 15325 1 916 . 1 1 71 71 SER HB2 H 1 3.9520 0.0001 . . . . . . 71 SER HB2 . 15325 1 917 . 1 1 71 71 SER HB3 H 1 3.9520 0.0001 . . . . . . 71 SER HB3 . 15325 1 918 . 1 1 71 71 SER C C 13 175.0540 0.0001 . . . . . . 71 SER C . 15325 1 919 . 1 1 71 71 SER CA C 13 61.2470 0.0001 . . . . . . 71 SER CA . 15325 1 920 . 1 1 71 71 SER CB C 13 63.3890 0.0001 . . . . . . 71 SER CB . 15325 1 921 . 1 1 71 71 SER N N 15 111.6760 0.0001 . . . . . . 71 SER N . 15325 1 922 . 1 1 72 72 THR H H 1 7.5640 0.0001 . . . . . . 72 THR HN . 15325 1 923 . 1 1 72 72 THR HA H 1 4.4580 0.0001 . . . . . . 72 THR HA . 15325 1 924 . 1 1 72 72 THR HB H 1 4.4000 0.0001 . . . . . . 72 THR HB . 15325 1 925 . 1 1 72 72 THR HG21 H 1 1.2000 0.0001 . . . . . . 72 THR HG2# . 15325 1 926 . 1 1 72 72 THR HG22 H 1 1.2000 0.0001 . . . . . . 72 THR HG2# . 15325 1 927 . 1 1 72 72 THR HG23 H 1 1.2000 0.0001 . . . . . . 72 THR HG2# . 15325 1 928 . 1 1 72 72 THR C C 13 173.4440 0.0001 . . . . . . 72 THR C . 15325 1 929 . 1 1 72 72 THR CA C 13 61.3900 0.0001 . . . . . . 72 THR CA . 15325 1 930 . 1 1 72 72 THR CB C 13 70.2000 0.0001 . . . . . . 72 THR CB . 15325 1 931 . 1 1 72 72 THR CG2 C 13 21.5040 0.0001 . . . . . . 72 THR CG2 . 15325 1 932 . 1 1 72 72 THR N N 15 110.2930 0.0001 . . . . . . 72 THR N . 15325 1 933 . 1 1 73 73 ASN H H 1 7.2410 0.0001 . . . . . . 73 ASN HN . 15325 1 934 . 1 1 73 73 ASN HA H 1 5.0820 0.0001 . . . . . . 73 ASN HA . 15325 1 935 . 1 1 73 73 ASN HB2 H 1 2.6240 0.0001 . . . . . . 73 ASN HB2 . 15325 1 936 . 1 1 73 73 ASN HB3 H 1 2.0070 0.0001 . . . . . . 73 ASN HB3 . 15325 1 937 . 1 1 73 73 ASN HD21 H 1 7.2200 0.0001 . . . . . . 73 ASN HD21 . 15325 1 938 . 1 1 73 73 ASN HD22 H 1 6.9700 0.0001 . . . . . . 73 ASN HD22 . 15325 1 939 . 1 1 73 73 ASN C C 13 171.5000 0.0001 . . . . . . 73 ASN C . 15325 1 940 . 1 1 73 73 ASN CA C 13 50.4600 0.0001 . . . . . . 73 ASN CA . 15325 1 941 . 1 1 73 73 ASN CB C 13 39.3100 0.0001 . . . . . . 73 ASN CB . 15325 1 942 . 1 1 73 73 ASN N N 15 119.7740 0.0001 . . . . . . 73 ASN N . 15325 1 943 . 1 1 73 73 ASN ND2 N 15 111.9500 0.0001 . . . . . . 73 ASN ND2 . 15325 1 944 . 1 1 74 74 PRO HA H 1 4.2370 0.0001 . . . . . . 74 PRO HA . 15325 1 945 . 1 1 74 74 PRO HB2 H 1 1.9670 0.0001 . . . . . . 74 PRO HB2 . 15325 1 946 . 1 1 74 74 PRO HB3 H 1 2.3450 0.0001 . . . . . . 74 PRO HB3 . 15325 1 947 . 1 1 74 74 PRO HD2 H 1 3.8180 0.0001 . . . . . . 74 PRO HD2 . 15325 1 948 . 1 1 74 74 PRO HD3 H 1 3.5310 0.0001 . . . . . . 74 PRO HD3 . 15325 1 949 . 1 1 74 74 PRO HG2 H 1 2.0820 0.0001 . . . . . . 74 PRO HG2 . 15325 1 950 . 1 1 74 74 PRO HG3 H 1 1.9570 0.0001 . . . . . . 74 PRO HG3 . 15325 1 951 . 1 1 74 74 PRO C C 13 178.5710 0.0001 . . . . . . 74 PRO C . 15325 1 952 . 1 1 74 74 PRO CA C 13 64.8500 0.0001 . . . . . . 74 PRO CA . 15325 1 953 . 1 1 74 74 PRO CB C 13 32.0600 0.0001 . . . . . . 74 PRO CB . 15325 1 954 . 1 1 74 74 PRO CD C 13 50.6670 0.0001 . . . . . . 74 PRO CD . 15325 1 955 . 1 1 74 74 PRO CG C 13 27.3240 0.0001 . . . . . . 74 PRO CG . 15325 1 956 . 1 1 75 75 ALA H H 1 8.0630 0.0001 . . . . . . 75 ALA HN . 15325 1 957 . 1 1 75 75 ALA HA H 1 4.1350 0.0001 . . . . . . 75 ALA HA . 15325 1 958 . 1 1 75 75 ALA HB1 H 1 1.4740 0.0001 . . . . . . 75 ALA HB# . 15325 1 959 . 1 1 75 75 ALA HB2 H 1 1.4740 0.0001 . . . . . . 75 ALA HB# . 15325 1 960 . 1 1 75 75 ALA HB3 H 1 1.4740 0.0001 . . . . . . 75 ALA HB# . 15325 1 961 . 1 1 75 75 ALA C C 13 180.1440 0.0001 . . . . . . 75 ALA C . 15325 1 962 . 1 1 75 75 ALA CA C 13 55.2930 0.0001 . . . . . . 75 ALA CA . 15325 1 963 . 1 1 75 75 ALA CB C 13 18.3360 0.0001 . . . . . . 75 ALA CB . 15325 1 964 . 1 1 75 75 ALA N N 15 120.3320 0.0001 . . . . . . 75 ALA N . 15325 1 965 . 1 1 76 76 LEU H H 1 7.5740 0.0001 . . . . . . 76 LEU HN . 15325 1 966 . 1 1 76 76 LEU HA H 1 4.1790 0.0001 . . . . . . 76 LEU HA . 15325 1 967 . 1 1 76 76 LEU HB2 H 1 1.5850 0.0001 . . . . . . 76 LEU HB2 . 15325 1 968 . 1 1 76 76 LEU HB3 H 1 1.4970 0.0001 . . . . . . 76 LEU HB3 . 15325 1 969 . 1 1 76 76 LEU HD11 H 1 0.9220 0.0001 . . . . . . 76 LEU HD1# . 15325 1 970 . 1 1 76 76 LEU HD12 H 1 0.9220 0.0001 . . . . . . 76 LEU HD1# . 15325 1 971 . 1 1 76 76 LEU HD13 H 1 0.9220 0.0001 . . . . . . 76 LEU HD1# . 15325 1 972 . 1 1 76 76 LEU HD21 H 1 0.9420 0.0001 . . . . . . 76 LEU HD2# . 15325 1 973 . 1 1 76 76 LEU HD22 H 1 0.9420 0.0001 . . . . . . 76 LEU HD2# . 15325 1 974 . 1 1 76 76 LEU HD23 H 1 0.9420 0.0001 . . . . . . 76 LEU HD2# . 15325 1 975 . 1 1 76 76 LEU HG H 1 1.6090 0.0001 . . . . . . 76 LEU HG . 15325 1 976 . 1 1 76 76 LEU C C 13 178.1700 0.0001 . . . . . . 76 LEU C . 15325 1 977 . 1 1 76 76 LEU CA C 13 56.2930 0.0001 . . . . . . 76 LEU CA . 15325 1 978 . 1 1 76 76 LEU CB C 13 42.2280 0.0001 . . . . . . 76 LEU CB . 15325 1 979 . 1 1 76 76 LEU CD1 C 13 25.3210 0.0001 . . . . . . 76 LEU CD1 . 15325 1 980 . 1 1 76 76 LEU CD2 C 13 23.8320 0.0001 . . . . . . 76 LEU CD2 . 15325 1 981 . 1 1 76 76 LEU CG C 13 26.7050 0.0001 . . . . . . 76 LEU CG . 15325 1 982 . 1 1 76 76 LEU N N 15 118.8340 0.0001 . . . . . . 76 LEU N . 15325 1 983 . 1 1 77 77 GLN H H 1 8.1620 0.0001 . . . . . . 77 GLN HN . 15325 1 984 . 1 1 77 77 GLN HA H 1 3.7880 0.0001 . . . . . . 77 GLN HA . 15325 1 985 . 1 1 77 77 GLN HB2 H 1 2.1240 0.0001 . . . . . . 77 GLN HB# . 15325 1 986 . 1 1 77 77 GLN HB3 H 1 2.1240 0.0001 . . . . . . 77 GLN HB# . 15325 1 987 . 1 1 77 77 GLN HG2 H 1 2.1890 0.0001 . . . . . . 77 GLN HG2 . 15325 1 988 . 1 1 77 77 GLN HG3 H 1 2.1890 0.0001 . . . . . . 77 GLN HG3 . 15325 1 989 . 1 1 77 77 GLN C C 13 178.2890 0.0001 . . . . . . 77 GLN C . 15325 1 990 . 1 1 77 77 GLN CA C 13 59.4000 0.0001 . . . . . . 77 GLN CA . 15325 1 991 . 1 1 77 77 GLN CB C 13 28.5300 0.0001 . . . . . . 77 GLN CB . 15325 1 992 . 1 1 77 77 GLN CG C 13 34.0000 0.0001 . . . . . . 77 GLN CG . 15325 1 993 . 1 1 77 77 GLN N N 15 118.6400 0.0001 . . . . . . 77 GLN N . 15325 1 994 . 1 1 78 78 ARG H H 1 7.8840 0.0001 . . . . . . 78 ARG HN . 15325 1 995 . 1 1 78 78 ARG HA H 1 4.0370 0.0001 . . . . . . 78 ARG HA . 15325 1 996 . 1 1 78 78 ARG HB2 H 1 1.8930 0.0001 . . . . . . 78 ARG HB2 . 15325 1 997 . 1 1 78 78 ARG HD2 H 1 3.1810 0.0001 . . . . . . 78 ARG HD# . 15325 1 998 . 1 1 78 78 ARG HD3 H 1 3.1810 0.0001 . . . . . . 78 ARG HD# . 15325 1 999 . 1 1 78 78 ARG HG2 H 1 1.6020 0.0001 . . . . . . 78 ARG HG2 . 15325 1 1000 . 1 1 78 78 ARG C C 13 177.6940 0.0001 . . . . . . 78 ARG C . 15325 1 1001 . 1 1 78 78 ARG CA C 13 59.0310 0.0001 . . . . . . 78 ARG CA . 15325 1 1002 . 1 1 78 78 ARG CB C 13 29.9320 0.0001 . . . . . . 78 ARG CB . 15325 1 1003 . 1 1 78 78 ARG CD C 13 43.4000 0.0001 . . . . . . 78 ARG CD . 15325 1 1004 . 1 1 78 78 ARG CG C 13 27.6300 0.0001 . . . . . . 78 ARG CG . 15325 1 1005 . 1 1 78 78 ARG N N 15 118.2460 0.0001 . . . . . . 78 ARG N . 15325 1 1006 . 1 1 79 79 ILE H H 1 7.3060 0.0001 . . . . . . 79 ILE HN . 15325 1 1007 . 1 1 79 79 ILE HA H 1 3.7580 0.0001 . . . . . . 79 ILE HA . 15325 1 1008 . 1 1 79 79 ILE HB H 1 1.8200 0.0001 . . . . . . 79 ILE HB . 15325 1 1009 . 1 1 79 79 ILE HD11 H 1 0.7280 0.0001 . . . . . . 79 ILE HD1# . 15325 1 1010 . 1 1 79 79 ILE HD12 H 1 0.7280 0.0001 . . . . . . 79 ILE HD1# . 15325 1 1011 . 1 1 79 79 ILE HD13 H 1 0.7280 0.0001 . . . . . . 79 ILE HD1# . 15325 1 1012 . 1 1 79 79 ILE HG12 H 1 1.0320 0.0001 . . . . . . 79 ILE HG12 . 15325 1 1013 . 1 1 79 79 ILE HG13 H 1 1.5700 0.0001 . . . . . . 79 ILE HG13 . 15325 1 1014 . 1 1 79 79 ILE HG21 H 1 0.5960 0.0001 . . . . . . 79 ILE HG2# . 15325 1 1015 . 1 1 79 79 ILE HG22 H 1 0.5960 0.0001 . . . . . . 79 ILE HG2# . 15325 1 1016 . 1 1 79 79 ILE HG23 H 1 0.5960 0.0001 . . . . . . 79 ILE HG2# . 15325 1 1017 . 1 1 79 79 ILE C C 13 177.2400 0.0001 . . . . . . 79 ILE C . 15325 1 1018 . 1 1 79 79 ILE CA C 13 63.9490 0.0001 . . . . . . 79 ILE CA . 15325 1 1019 . 1 1 79 79 ILE CB C 13 38.3500 0.0001 . . . . . . 79 ILE CB . 15325 1 1020 . 1 1 79 79 ILE CD1 C 13 13.6200 0.0001 . . . . . . 79 ILE CD1 . 15325 1 1021 . 1 1 79 79 ILE CG1 C 13 28.4880 0.0001 . . . . . . 79 ILE CG1 . 15325 1 1022 . 1 1 79 79 ILE CG2 C 13 16.9810 0.0001 . . . . . . 79 ILE CG2 . 15325 1 1023 . 1 1 79 79 ILE N N 15 117.6180 0.0001 . . . . . . 79 ILE N . 15325 1 1024 . 1 1 80 80 ILE H H 1 7.7830 0.0001 . . . . . . 80 ILE HN . 15325 1 1025 . 1 1 80 80 ILE HA H 1 3.9550 0.0001 . . . . . . 80 ILE HA . 15325 1 1026 . 1 1 80 80 ILE HB H 1 2.0530 0.0001 . . . . . . 80 ILE HB . 15325 1 1027 . 1 1 80 80 ILE HD11 H 1 0.9020 0.0001 . . . . . . 80 ILE HD1# . 15325 1 1028 . 1 1 80 80 ILE HD12 H 1 0.9020 0.0001 . . . . . . 80 ILE HD1# . 15325 1 1029 . 1 1 80 80 ILE HD13 H 1 0.9020 0.0001 . . . . . . 80 ILE HD1# . 15325 1 1030 . 1 1 80 80 ILE HG12 H 1 1.5070 0.0001 . . . . . . 80 ILE HG12 . 15325 1 1031 . 1 1 80 80 ILE HG13 H 1 1.5070 0.0001 . . . . . . 80 ILE HG13 . 15325 1 1032 . 1 1 80 80 ILE HG21 H 1 0.9430 0.0001 . . . . . . 80 ILE HG2# . 15325 1 1033 . 1 1 80 80 ILE HG22 H 1 0.9430 0.0001 . . . . . . 80 ILE HG2# . 15325 1 1034 . 1 1 80 80 ILE HG23 H 1 0.9430 0.0001 . . . . . . 80 ILE HG2# . 15325 1 1035 . 1 1 80 80 ILE C C 13 177.1540 0.0001 . . . . . . 80 ILE C . 15325 1 1036 . 1 1 80 80 ILE CA C 13 61.9850 0.0001 . . . . . . 80 ILE CA . 15325 1 1037 . 1 1 80 80 ILE CB C 13 37.0960 0.0001 . . . . . . 80 ILE CB . 15325 1 1038 . 1 1 80 80 ILE CD1 C 13 11.6220 0.0001 . . . . . . 80 ILE CD1 . 15325 1 1039 . 1 1 80 80 ILE CG1 C 13 27.7400 0.0001 . . . . . . 80 ILE CG1 . 15325 1 1040 . 1 1 80 80 ILE CG2 C 13 17.3580 0.0001 . . . . . . 80 ILE CG2 . 15325 1 1041 . 1 1 80 80 ILE N N 15 117.3800 0.0001 . . . . . . 80 ILE N . 15325 1 1042 . 1 1 81 81 THR H H 1 7.9470 0.0001 . . . . . . 81 THR HN . 15325 1 1043 . 1 1 81 81 THR HA H 1 4.2690 0.0001 . . . . . . 81 THR HA . 15325 1 1044 . 1 1 81 81 THR HB H 1 4.2640 0.0001 . . . . . . 81 THR HB . 15325 1 1045 . 1 1 81 81 THR HG21 H 1 1.2170 0.0001 . . . . . . 81 THR HG2# . 15325 1 1046 . 1 1 81 81 THR HG22 H 1 1.2170 0.0001 . . . . . . 81 THR HG2# . 15325 1 1047 . 1 1 81 81 THR HG23 H 1 1.2170 0.0001 . . . . . . 81 THR HG2# . 15325 1 1048 . 1 1 81 81 THR C C 13 175.2390 0.0001 . . . . . . 81 THR C . 15325 1 1049 . 1 1 81 81 THR CA C 13 63.4620 0.0001 . . . . . . 81 THR CA . 15325 1 1050 . 1 1 81 81 THR CB C 13 69.8140 0.0001 . . . . . . 81 THR CB . 15325 1 1051 . 1 1 81 81 THR CG2 C 13 21.3140 0.0001 . . . . . . 81 THR CG2 . 15325 1 1052 . 1 1 81 81 THR N N 15 113.1820 0.0001 . . . . . . 81 THR N . 15325 1 1053 . 1 1 82 82 GLU H H 1 7.9850 0.0001 . . . . . . 82 GLU HN . 15325 1 1054 . 1 1 82 82 GLU HA H 1 4.2390 0.0001 . . . . . . 82 GLU HA . 15325 1 1055 . 1 1 82 82 GLU HB2 H 1 2.0890 0.0001 . . . . . . 82 GLU HB2 . 15325 1 1056 . 1 1 82 82 GLU HB3 H 1 2.0890 0.0001 . . . . . . 82 GLU HB3 . 15325 1 1057 . 1 1 82 82 GLU HG2 H 1 2.3630 0.0001 . . . . . . 82 GLU HG2 . 15325 1 1058 . 1 1 82 82 GLU HG3 H 1 2.3630 0.0001 . . . . . . 82 GLU HG3 . 15325 1 1059 . 1 1 82 82 GLU C C 13 176.6130 0.0001 . . . . . . 82 GLU C . 15325 1 1060 . 1 1 82 82 GLU CA C 13 57.4060 0.0001 . . . . . . 82 GLU CA . 15325 1 1061 . 1 1 82 82 GLU CB C 13 29.9320 0.0001 . . . . . . 82 GLU CB . 15325 1 1062 . 1 1 82 82 GLU CG C 13 36.4660 0.0001 . . . . . . 82 GLU CG . 15325 1 1063 . 1 1 82 82 GLU N N 15 122.7860 0.0001 . . . . . . 82 GLU N . 15325 1 1064 . 1 1 83 83 LYS H H 1 8.1090 0.0001 . . . . . . 83 LYS HN . 15325 1 1065 . 1 1 83 83 LYS HA H 1 4.1840 0.0001 . . . . . . 83 LYS HA . 15325 1 1066 . 1 1 83 83 LYS HB2 H 1 1.8060 0.0001 . . . . . . 83 LYS HB2 . 15325 1 1067 . 1 1 83 83 LYS HB3 H 1 1.8060 0.0001 . . . . . . 83 LYS HB3 . 15325 1 1068 . 1 1 83 83 LYS HG2 H 1 1.2590 0.0001 . . . . . . 83 LYS HG# . 15325 1 1069 . 1 1 83 83 LYS HG3 H 1 1.2590 0.0001 . . . . . . 83 LYS HG# . 15325 1 1070 . 1 1 83 83 LYS C C 13 176.6020 0.0001 . . . . . . 83 LYS C . 15325 1 1071 . 1 1 83 83 LYS CA C 13 57.1460 0.0001 . . . . . . 83 LYS CA . 15325 1 1072 . 1 1 83 83 LYS CB C 13 32.5170 0.0001 . . . . . . 83 LYS CB . 15325 1 1073 . 1 1 83 83 LYS CD C 13 28.9560 0.0001 . . . . . . 83 LYS CD . 15325 1 1074 . 1 1 83 83 LYS CE C 13 42.1530 0.0001 . . . . . . 83 LYS CE . 15325 1 1075 . 1 1 83 83 LYS CG C 13 24.8880 0.0001 . . . . . . 83 LYS CG . 15325 1 1076 . 1 1 83 83 LYS N N 15 121.8560 0.0001 . . . . . . 83 LYS N . 15325 1 1077 . 1 1 84 84 LYS H H 1 8.2180 0.0001 . . . . . . 84 LYS HN . 15325 1 1078 . 1 1 84 84 LYS HA H 1 4.2680 0.0001 . . . . . . 84 LYS HA . 15325 1 1079 . 1 1 84 84 LYS HB2 H 1 1.7440 0.0001 . . . . . . 84 LYS HB2 . 15325 1 1080 . 1 1 84 84 LYS HB3 H 1 1.7440 0.0001 . . . . . . 84 LYS HB3 . 15325 1 1081 . 1 1 84 84 LYS C C 13 176.3420 0.0001 . . . . . . 84 LYS C . 15325 1 1082 . 1 1 84 84 LYS CA C 13 56.5200 0.0001 . . . . . . 84 LYS CA . 15325 1 1083 . 1 1 84 84 LYS CB C 13 32.8860 0.0001 . . . . . . 84 LYS CB . 15325 1 1084 . 1 1 84 84 LYS N N 15 122.4510 0.0001 . . . . . . 84 LYS N . 15325 1 1085 . 1 1 85 85 GLN H H 1 8.3060 0.0001 . . . . . . 85 GLN HN . 15325 1 1086 . 1 1 85 85 GLN HA H 1 4.2990 0.0001 . . . . . . 85 GLN HA . 15325 1 1087 . 1 1 85 85 GLN HB2 H 1 1.9080 0.0001 . . . . . . 85 GLN HB2 . 15325 1 1088 . 1 1 85 85 GLN HB3 H 1 2.0000 0.0001 . . . . . . 85 GLN HB3 . 15325 1 1089 . 1 1 85 85 GLN HG2 H 1 2.2370 0.0001 . . . . . . 85 GLN HG2 . 15325 1 1090 . 1 1 85 85 GLN HG3 H 1 2.2370 0.0001 . . . . . . 85 GLN HG3 . 15325 1 1091 . 1 1 85 85 GLN C C 13 177.3270 0.0001 . . . . . . 85 GLN C . 15325 1 1092 . 1 1 85 85 GLN CA C 13 55.8970 0.0001 . . . . . . 85 GLN CA . 15325 1 1093 . 1 1 85 85 GLN CB C 13 29.6700 0.0001 . . . . . . 85 GLN CB . 15325 1 1094 . 1 1 85 85 GLN CG C 13 33.8600 0.0001 . . . . . . 85 GLN CG . 15325 1 1095 . 1 1 85 85 GLN N N 15 121.2140 0.0001 . . . . . . 85 GLN N . 15325 1 1096 . 1 1 86 86 TYR H H 1 8.1990 0.0001 . . . . . . 86 TYR HN . 15325 1 1097 . 1 1 86 86 TYR HA H 1 4.5590 0.0001 . . . . . . 86 TYR HA . 15325 1 1098 . 1 1 86 86 TYR HB2 H 1 3.0580 0.0001 . . . . . . 86 TYR HB2 . 15325 1 1099 . 1 1 86 86 TYR HB3 H 1 2.9130 0.0001 . . . . . . 86 TYR HB3 . 15325 1 1100 . 1 1 86 86 TYR HD1 H 1 7.1130 0.0001 . . . . . . 86 TYR HD# . 15325 1 1101 . 1 1 86 86 TYR HD2 H 1 7.1130 0.0001 . . . . . . 86 TYR HD# . 15325 1 1102 . 1 1 86 86 TYR C C 13 175.2720 0.0001 . . . . . . 86 TYR C . 15325 1 1103 . 1 1 86 86 TYR CA C 13 57.8600 0.0001 . . . . . . 86 TYR CA . 15325 1 1104 . 1 1 86 86 TYR CB C 13 38.9360 0.0001 . . . . . . 86 TYR CB . 15325 1 1105 . 1 1 86 86 TYR CD1 C 13 133.3320 0.0001 . . . . . . 86 TYR CD# . 15325 1 1106 . 1 1 86 86 TYR CD2 C 13 133.3320 0.0001 . . . . . . 86 TYR CD# . 15325 1 1107 . 1 1 86 86 TYR N N 15 121.6610 0.0001 . . . . . . 86 TYR N . 15325 1 1108 . 1 1 87 87 LYS H H 1 8.1300 0.0001 . . . . . . 87 LYS HN . 15325 1 1109 . 1 1 87 87 LYS HA H 1 4.3460 0.0001 . . . . . . 87 LYS HA . 15325 1 1110 . 1 1 87 87 LYS HB2 H 1 1.7800 0.0001 . . . . . . 87 LYS HB2 . 15325 1 1111 . 1 1 87 87 LYS HD2 H 1 3.0000 0.0001 . . . . . . 87 LYS HD1 . 15325 1 1112 . 1 1 87 87 LYS HE2 H 1 1.6100 0.0001 . . . . . . 87 LYS HE1 . 15325 1 1113 . 1 1 87 87 LYS HG2 H 1 1.4740 0.0001 . . . . . . 87 LYS HG1 . 15325 1 1114 . 1 1 87 87 LYS C C 13 174.9210 0.0001 . . . . . . 87 LYS C . 15325 1 1115 . 1 1 87 87 LYS CA C 13 56.2250 0.0001 . . . . . . 87 LYS CA . 15325 1 1116 . 1 1 87 87 LYS CB C 13 33.4770 0.0001 . . . . . . 87 LYS CB . 15325 1 1117 . 1 1 87 87 LYS CD C 13 30.9190 0.0001 . . . . . . 87 LYS CD . 15325 1 1118 . 1 1 87 87 LYS CE C 13 42.1580 0.0001 . . . . . . 87 LYS CE . 15325 1 1119 . 1 1 87 87 LYS CG C 13 24.6730 0.0001 . . . . . . 87 LYS CG . 15325 1 1120 . 1 1 87 87 LYS N N 15 123.5420 0.0001 . . . . . . 87 LYS N . 15325 1 1121 . 1 1 88 88 ASP H H 1 7.8930 0.0001 . . . . . . 88 ASP HN . 15325 1 1122 . 1 1 88 88 ASP HA H 1 4.3430 0.0001 . . . . . . 88 ASP HA . 15325 1 1123 . 1 1 88 88 ASP HB2 H 1 2.5660 0.0001 . . . . . . 88 ASP HB2 . 15325 1 1124 . 1 1 88 88 ASP HB3 H 1 2.6800 0.0001 . . . . . . 88 ASP HB3 . 15325 1 1125 . 1 1 88 88 ASP CA C 13 55.5770 0.0001 . . . . . . 88 ASP CA . 15325 1 1126 . 1 1 88 88 ASP CB C 13 42.2640 0.0001 . . . . . . 88 ASP CB . 15325 1 1127 . 1 1 88 88 ASP N N 15 127.3600 0.0001 . . . . . . 88 ASP N . 15325 1 stop_ save_