data_5141 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5141 _Entry.Title ; Sequence-specific resonance assignments of the N-terminal, 105-residue KaiC-interacting domain of SasA, a protein necessary for a robust circadian rhythm in Synechococcus elongatus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-09-01 _Entry.Accession_date 2001-09-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Douglas Klewer . A. . 5141 2 Stanly Williams . B. . 5141 3 Susan Golden . S. . 5141 4 Andy LiWang . C. . 5141 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5141 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 343 5141 '15N chemical shifts' 104 5141 '1H chemical shifts' 683 5141 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 2 . . 2002-11-04 . original author 'original release' 5141 1 . . 2003-03-12 . update author 'update of chemical shifts' 5141 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5141 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific resonance assignments of the N-terminal, 105-residue KaiC-interacting domain of SasA, a protein necessary for a robust circadian rhythm in Synechococcus elongatus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 1 _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 77 _Citation.Page_last 78 _Citation.Year 2002 _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 Douglas Klewer . A. . 5141 1 2 Stanly Williams . B. . 5141 1 3 Susan Golden . S. . 5141 1 4 Andy LiWang . C. . 5141 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Circadian clock' 5141 1 NMR 5141 1 SasA 5141 1 'Synechococcus elongatus' 5141 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SasA_N-terminus _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SasA_N-terminus _Assembly.Entry_ID 5141 _Assembly.ID 1 _Assembly.Name 'SasA N-terminus' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5141 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SasA N-terminus' 1 $SasA_N-terminus . . . native . . . . . 5141 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'SasA N-terminus' abbreviation 5141 1 'SasA N-terminus' system 5141 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'sensory domain' 5141 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SasA_N-terminus _Entity.Sf_category entity _Entity.Sf_framecode SasA_N-terminus _Entity.Entry_ID 5141 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SasA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSLSPQALAQPLLLQLFVD TRPLSQHIVQRVKNILAAVE ATVPISLQVINVADQPQLVE YYRLVVTPALVKIGPGSRQV LSGIDLTDQLANQLPQWLVQ QEGIF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11476.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1T4Y . "Solution Structure Of The N-Terminal Domain Of Synechococcus Elongatus Sasa (Average Minimized Structure)" . . . . . 100.00 105 100.00 100.00 5.18e-65 . . . . 5141 1 2 no PDB 1T4Z . "Solution Structure Of The N-Terminal Domain Of Synechococcus Elongatus Sasa (25-Structures Ensemble)" . . . . . 100.00 105 100.00 100.00 5.18e-65 . . . . 5141 1 3 no DBJ BAA03145 . "SarS [Synechococcus elongatus PCC 7942]" . . . . . 100.00 387 97.14 97.14 4.17e-60 . . . . 5141 1 4 no DBJ BAD80168 . "two-component sensor histidine kinase [Synechococcus elongatus PCC 6301]" . . . . . 100.00 399 97.14 97.14 6.80e-60 . . . . 5141 1 5 no GB ABB58144 . "histidine kinase [Synechococcus elongatus PCC 7942]" . . . . . 100.00 387 97.14 97.14 4.40e-60 . . . . 5141 1 6 no GB AJD57380 . "ATPase [Synechococcus sp. UTEX 2973]" . . . . . 100.00 387 97.14 97.14 4.40e-60 . . . . 5141 1 7 no REF WP_011244288 . "ATPase [Synechococcus elongatus]" . . . . . 100.00 399 97.14 97.14 6.80e-60 . . . . 5141 1 8 no REF WP_011378322 . "ATPase [Synechococcus elongatus]" . . . . . 100.00 387 97.14 97.14 4.40e-60 . . . . 5141 1 9 no REF WP_039755926 . "ATPase [Synechococcus sp. UTEX 2973]" . . . . . 97.14 383 97.06 98.04 3.18e-58 . . . . 5141 1 10 no REF YP_172688 . "adaptive-response sensory kinase [Synechococcus elongatus PCC 6301]" . . . . . 100.00 399 97.14 97.14 6.80e-60 . . . . 5141 1 11 no REF YP_401131 . "adaptive-response sensory kinase [Synechococcus elongatus PCC 7942]" . . . . . 100.00 387 97.14 97.14 4.40e-60 . . . . 5141 1 12 no SP Q06904 . "RecName: Full=Adaptive-response sensory-kinase SasA; AltName: Full=Synechococcus adaptive sensor protein A [Synechococcus elong" . . . . . 100.00 387 97.14 97.14 4.40e-60 . . . . 5141 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID N-terminus variant 5141 1 SasA common 5141 1 'SasA N-terminus' abbreviation 5141 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5141 1 2 . SER . 5141 1 3 . SER . 5141 1 4 . LEU . 5141 1 5 . SER . 5141 1 6 . PRO . 5141 1 7 . GLN . 5141 1 8 . ALA . 5141 1 9 . LEU . 5141 1 10 . ALA . 5141 1 11 . GLN . 5141 1 12 . PRO . 5141 1 13 . LEU . 5141 1 14 . LEU . 5141 1 15 . LEU . 5141 1 16 . GLN . 5141 1 17 . LEU . 5141 1 18 . PHE . 5141 1 19 . VAL . 5141 1 20 . ASP . 5141 1 21 . THR . 5141 1 22 . ARG . 5141 1 23 . PRO . 5141 1 24 . LEU . 5141 1 25 . SER . 5141 1 26 . GLN . 5141 1 27 . HIS . 5141 1 28 . ILE . 5141 1 29 . VAL . 5141 1 30 . GLN . 5141 1 31 . ARG . 5141 1 32 . VAL . 5141 1 33 . LYS . 5141 1 34 . ASN . 5141 1 35 . ILE . 5141 1 36 . LEU . 5141 1 37 . ALA . 5141 1 38 . ALA . 5141 1 39 . VAL . 5141 1 40 . GLU . 5141 1 41 . ALA . 5141 1 42 . THR . 5141 1 43 . VAL . 5141 1 44 . PRO . 5141 1 45 . ILE . 5141 1 46 . SER . 5141 1 47 . LEU . 5141 1 48 . GLN . 5141 1 49 . VAL . 5141 1 50 . ILE . 5141 1 51 . ASN . 5141 1 52 . VAL . 5141 1 53 . ALA . 5141 1 54 . ASP . 5141 1 55 . GLN . 5141 1 56 . PRO . 5141 1 57 . GLN . 5141 1 58 . LEU . 5141 1 59 . VAL . 5141 1 60 . GLU . 5141 1 61 . TYR . 5141 1 62 . TYR . 5141 1 63 . ARG . 5141 1 64 . LEU . 5141 1 65 . VAL . 5141 1 66 . VAL . 5141 1 67 . THR . 5141 1 68 . PRO . 5141 1 69 . ALA . 5141 1 70 . LEU . 5141 1 71 . VAL . 5141 1 72 . LYS . 5141 1 73 . ILE . 5141 1 74 . GLY . 5141 1 75 . PRO . 5141 1 76 . GLY . 5141 1 77 . SER . 5141 1 78 . ARG . 5141 1 79 . GLN . 5141 1 80 . VAL . 5141 1 81 . LEU . 5141 1 82 . SER . 5141 1 83 . GLY . 5141 1 84 . ILE . 5141 1 85 . ASP . 5141 1 86 . LEU . 5141 1 87 . THR . 5141 1 88 . ASP . 5141 1 89 . GLN . 5141 1 90 . LEU . 5141 1 91 . ALA . 5141 1 92 . ASN . 5141 1 93 . GLN . 5141 1 94 . LEU . 5141 1 95 . PRO . 5141 1 96 . GLN . 5141 1 97 . TRP . 5141 1 98 . LEU . 5141 1 99 . VAL . 5141 1 100 . GLN . 5141 1 101 . GLN . 5141 1 102 . GLU . 5141 1 103 . GLY . 5141 1 104 . ILE . 5141 1 105 . PHE . 5141 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5141 1 . SER 2 2 5141 1 . SER 3 3 5141 1 . LEU 4 4 5141 1 . SER 5 5 5141 1 . PRO 6 6 5141 1 . GLN 7 7 5141 1 . ALA 8 8 5141 1 . LEU 9 9 5141 1 . ALA 10 10 5141 1 . GLN 11 11 5141 1 . PRO 12 12 5141 1 . LEU 13 13 5141 1 . LEU 14 14 5141 1 . LEU 15 15 5141 1 . GLN 16 16 5141 1 . LEU 17 17 5141 1 . PHE 18 18 5141 1 . VAL 19 19 5141 1 . ASP 20 20 5141 1 . THR 21 21 5141 1 . ARG 22 22 5141 1 . PRO 23 23 5141 1 . LEU 24 24 5141 1 . SER 25 25 5141 1 . GLN 26 26 5141 1 . HIS 27 27 5141 1 . ILE 28 28 5141 1 . VAL 29 29 5141 1 . GLN 30 30 5141 1 . ARG 31 31 5141 1 . VAL 32 32 5141 1 . LYS 33 33 5141 1 . ASN 34 34 5141 1 . ILE 35 35 5141 1 . LEU 36 36 5141 1 . ALA 37 37 5141 1 . ALA 38 38 5141 1 . VAL 39 39 5141 1 . GLU 40 40 5141 1 . ALA 41 41 5141 1 . THR 42 42 5141 1 . VAL 43 43 5141 1 . PRO 44 44 5141 1 . ILE 45 45 5141 1 . SER 46 46 5141 1 . LEU 47 47 5141 1 . GLN 48 48 5141 1 . VAL 49 49 5141 1 . ILE 50 50 5141 1 . ASN 51 51 5141 1 . VAL 52 52 5141 1 . ALA 53 53 5141 1 . ASP 54 54 5141 1 . GLN 55 55 5141 1 . PRO 56 56 5141 1 . GLN 57 57 5141 1 . LEU 58 58 5141 1 . VAL 59 59 5141 1 . GLU 60 60 5141 1 . TYR 61 61 5141 1 . TYR 62 62 5141 1 . ARG 63 63 5141 1 . LEU 64 64 5141 1 . VAL 65 65 5141 1 . VAL 66 66 5141 1 . THR 67 67 5141 1 . PRO 68 68 5141 1 . ALA 69 69 5141 1 . LEU 70 70 5141 1 . VAL 71 71 5141 1 . LYS 72 72 5141 1 . ILE 73 73 5141 1 . GLY 74 74 5141 1 . PRO 75 75 5141 1 . GLY 76 76 5141 1 . SER 77 77 5141 1 . ARG 78 78 5141 1 . GLN 79 79 5141 1 . VAL 80 80 5141 1 . LEU 81 81 5141 1 . SER 82 82 5141 1 . GLY 83 83 5141 1 . ILE 84 84 5141 1 . ASP 85 85 5141 1 . LEU 86 86 5141 1 . THR 87 87 5141 1 . ASP 88 88 5141 1 . GLN 89 89 5141 1 . LEU 90 90 5141 1 . ALA 91 91 5141 1 . ASN 92 92 5141 1 . GLN 93 93 5141 1 . LEU 94 94 5141 1 . PRO 95 95 5141 1 . GLN 96 96 5141 1 . TRP 97 97 5141 1 . LEU 98 98 5141 1 . VAL 99 99 5141 1 . GLN 100 100 5141 1 . GLN 101 101 5141 1 . GLU 102 102 5141 1 . GLY 103 103 5141 1 . ILE 104 104 5141 1 . PHE 105 105 5141 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 5141 _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 $SasA_N-terminus . . . . 'Synechoccus elongatus' 'Synechoccus elongatus' . . Eubacteria . Synechoccus elongatus . . . . . . . . . . . . . . . . . . . . . 5141 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 5141 _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 $SasA_N-terminus . 'recombinant technology' coli Escherichia . . coli . . . . . . . . . . . . . . . . . . . . . . . . 5141 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_SasA-105 _Sample.Sf_category sample _Sample.Sf_framecode sample_SasA-105 _Sample.Entry_ID 5141 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SasA '[U-99% 13C; U-99% 15N]' . . 1 $SasA_N-terminus . . 0.6 . . mM . . . . 5141 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5141 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.22 0.02 M 5141 1 pH 7.0 0.05 na 5141 1 temperature 298 0.05 K 5141 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5141 _Software.ID 1 _Software.Name NMRPipe _Software.Version '1.8 rev 2001.030.21.27' _Software.Details ; Delaglio, F., S. Grzesiek, Vuister, G.W., Zhu, G., Pfeifer, J. and A. Bax. (1995) J. Biomol. NMR. 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data processing' 5141 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 5141 _Software.ID 2 _Software.Name PIPP _Software.Version 4.2.6 _Software.Details ; Garrett, D.S., Powers, R., Gronenborn, A.M. and Clore, G.M, (1991) J. Magn. Reson., 95, 214-220. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectra visualization' 5141 2 stop_ save_ save_STAPP _Software.Sf_category software _Software.Sf_framecode STAPP _Software.Entry_ID 5141 _Software.ID 3 _Software.Name STAPP _Software.Version 4.2.6 _Software.Details ; Garrett, D.S., Powers, R., Gronenborn, A.M. and Clore, G.M, (1991) J. Magn. Reson., 95, 214-220. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'partial sequence specific assignments' 5141 3 'spin system creation' 5141 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5141 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5141 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian Inova . 600 . . . 5141 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 5141 _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 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5141 1 2 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5141 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5141 1 4 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5141 1 5 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5141 1 6 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5141 1 7 H(C)CH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5141 1 8 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5141 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5141 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance, XYZ-PGF probe was used.' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5141 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance, XYZ-PGF probe was used.' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5141 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance, XYZ-PGF probe was used.' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5141 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance, XYZ-PGF probe was used.' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5141 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance, XYZ-PGF probe was used.' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5141 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance, XYZ-PGF probe was used.' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5141 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(C)CH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance, XYZ-PGF probe was used.' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5141 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Triple resonance, XYZ-PGF probe was used.' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5141 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5141 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5141 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5141 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5141 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 CBCA(CO)NH 1 $sample_SasA-105 . 5141 1 2 CBCANH 1 $sample_SasA-105 . 5141 1 3 HNHA 1 $sample_SasA-105 . 5141 1 4 HBHA(CO)NH 1 $sample_SasA-105 . 5141 1 5 C(CO)NH 1 $sample_SasA-105 . 5141 1 6 H(CCO)NH 1 $sample_SasA-105 . 5141 1 7 H(C)CH-COSY 1 $sample_SasA-105 . 5141 1 8 '1H-15N HSQC' 1 $sample_SasA-105 . 5141 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 3 3 SER HA H 1 4.54 0.03 . 1 . . . . . . . . 5141 1 2 . 1 1 3 3 SER HB2 H 1 3.90 0.03 . 2 . . . . . . . . 5141 1 3 . 1 1 3 3 SER CA C 13 58.43 0.50 . 1 . . . . . . . . 5141 1 4 . 1 1 3 3 SER CB C 13 63.74 0.50 . 1 . . . . . . . . 5141 1 5 . 1 1 4 4 LEU H H 1 8.32 0.03 . 1 . . . . . . . . 5141 1 6 . 1 1 4 4 LEU HA H 1 4.71 0.03 . 1 . . . . . . . . 5141 1 7 . 1 1 4 4 LEU HB2 H 1 2.94 0.03 . 1 . . . . . . . . 5141 1 8 . 1 1 4 4 LEU HB3 H 1 2.94 0.03 . 1 . . . . . . . . 5141 1 9 . 1 1 4 4 LEU CA C 13 55.10 0.50 . 1 . . . . . . . . 5141 1 10 . 1 1 4 4 LEU CB C 13 42.02 0.50 . 1 . . . . . . . . 5141 1 11 . 1 1 4 4 LEU N N 15 123.92 0.50 . 1 . . . . . . . . 5141 1 12 . 1 1 5 5 SER H H 1 8.29 0.03 . 1 . . . . . . . . 5141 1 13 . 1 1 5 5 SER HB2 H 1 3.90 0.03 . 1 . . . . . . . . 5141 1 14 . 1 1 5 5 SER HB3 H 1 3.90 0.03 . 1 . . . . . . . . 5141 1 15 . 1 1 5 5 SER CA C 13 56.39 0.50 . 1 . . . . . . . . 5141 1 16 . 1 1 5 5 SER CB C 13 63.24 0.50 . 1 . . . . . . . . 5141 1 17 . 1 1 5 5 SER N N 15 118.08 0.50 . 1 . . . . . . . . 5141 1 18 . 1 1 6 6 PRO HA H 1 4.44 0.03 . 1 . . . . . . . . 5141 1 19 . 1 1 6 6 PRO HB2 H 1 2.33 0.03 . 2 . . . . . . . . 5141 1 20 . 1 1 6 6 PRO HB3 H 1 1.95 0.03 . 2 . . . . . . . . 5141 1 21 . 1 1 6 6 PRO HG2 H 1 2.05 0.03 . 1 . . . . . . . . 5141 1 22 . 1 1 6 6 PRO HG3 H 1 2.05 0.03 . 1 . . . . . . . . 5141 1 23 . 1 1 6 6 PRO HD2 H 1 3.40 0.03 . 2 . . . . . . . . 5141 1 24 . 1 1 6 6 PRO HD3 H 1 3.70 0.03 . 2 . . . . . . . . 5141 1 25 . 1 1 6 6 PRO CA C 13 63.67 0.50 . 1 . . . . . . . . 5141 1 26 . 1 1 6 6 PRO CB C 13 31.91 0.50 . 1 . . . . . . . . 5141 1 27 . 1 1 6 6 PRO CG C 13 27.41 0.50 . 1 . . . . . . . . 5141 1 28 . 1 1 6 6 PRO CD C 13 50.08 0.50 . 1 . . . . . . . . 5141 1 29 . 1 1 7 7 GLN H H 1 8.36 0.03 . 1 . . . . . . . . 5141 1 30 . 1 1 7 7 GLN CA C 13 56.14 0.50 . 1 . . . . . . . . 5141 1 31 . 1 1 7 7 GLN CB C 13 29.32 0.50 . 1 . . . . . . . . 5141 1 32 . 1 1 7 7 GLN N N 15 119.54 0.50 . 1 . . . . . . . . 5141 1 33 . 1 1 8 8 ALA H H 1 8.19 0.03 . 1 . . . . . . . . 5141 1 34 . 1 1 8 8 ALA HA H 1 4.00 0.03 . 1 . . . . . . . . 5141 1 35 . 1 1 8 8 ALA CA C 13 52.72 0.50 . 1 . . . . . . . . 5141 1 36 . 1 1 8 8 ALA CB C 13 19.29 0.50 . 1 . . . . . . . . 5141 1 37 . 1 1 8 8 ALA N N 15 124.86 0.50 . 1 . . . . . . . . 5141 1 38 . 1 1 9 9 LEU H H 1 8.05 0.03 . 1 . . . . . . . . 5141 1 39 . 1 1 9 9 LEU HA H 1 4.40 0.03 . 1 . . . . . . . . 5141 1 40 . 1 1 9 9 LEU HB2 H 1 1.65 0.03 . 1 . . . . . . . . 5141 1 41 . 1 1 9 9 LEU HB3 H 1 1.65 0.03 . 1 . . . . . . . . 5141 1 42 . 1 1 9 9 LEU HD11 H 1 0.96 0.03 . 2 . . . . . . . . 5141 1 43 . 1 1 9 9 LEU HD12 H 1 0.96 0.03 . 2 . . . . . . . . 5141 1 44 . 1 1 9 9 LEU HD13 H 1 0.96 0.03 . 2 . . . . . . . . 5141 1 45 . 1 1 9 9 LEU HG H 1 2.38 0.03 . 1 . . . . . . . . 5141 1 46 . 1 1 9 9 LEU CA C 13 55.03 0.50 . 1 . . . . . . . . 5141 1 47 . 1 1 9 9 LEU CB C 13 42.70 0.50 . 1 . . . . . . . . 5141 1 48 . 1 1 9 9 LEU N N 15 120.73 0.50 . 1 . . . . . . . . 5141 1 49 . 1 1 10 10 ALA H H 1 8.43 0.03 . 1 . . . . . . . . 5141 1 50 . 1 1 10 10 ALA CA C 13 52.25 0.50 . 1 . . . . . . . . 5141 1 51 . 1 1 10 10 ALA CB C 13 19.64 0.50 . 1 . . . . . . . . 5141 1 52 . 1 1 10 10 ALA N N 15 125.59 0.50 . 1 . . . . . . . . 5141 1 53 . 1 1 11 11 GLN H H 1 8.23 0.03 . 1 . . . . . . . . 5141 1 54 . 1 1 11 11 GLN HA H 1 4.60 0.03 . 1 . . . . . . . . 5141 1 55 . 1 1 11 11 GLN HB2 H 1 1.87 0.03 . 1 . . . . . . . . 5141 1 56 . 1 1 11 11 GLN HB3 H 1 2.13 0.03 . 1 . . . . . . . . 5141 1 57 . 1 1 11 11 GLN HG2 H 1 2.39 0.03 . 1 . . . . . . . . 5141 1 58 . 1 1 11 11 GLN HG3 H 1 2.39 0.03 . 1 . . . . . . . . 5141 1 59 . 1 1 11 11 GLN CA C 13 53.35 0.50 . 1 . . . . . . . . 5141 1 60 . 1 1 11 11 GLN CB C 13 29.70 0.50 . 1 . . . . . . . . 5141 1 61 . 1 1 11 11 GLN CG C 13 33.61 0.50 . 1 . . . . . . . . 5141 1 62 . 1 1 11 11 GLN N N 15 120.59 0.50 . 1 . . . . . . . . 5141 1 63 . 1 1 12 12 PRO HA H 1 4.42 0.03 . 1 . . . . . . . . 5141 1 64 . 1 1 12 12 PRO HB2 H 1 1.98 0.03 . 1 . . . . . . . . 5141 1 65 . 1 1 12 12 PRO HB3 H 1 1.60 0.03 . 1 . . . . . . . . 5141 1 66 . 1 1 12 12 PRO HG2 H 1 2.04 0.03 . 1 . . . . . . . . 5141 1 67 . 1 1 12 12 PRO HG3 H 1 2.04 0.03 . 1 . . . . . . . . 5141 1 68 . 1 1 12 12 PRO HD2 H 1 3.79 0.03 . 1 . . . . . . . . 5141 1 69 . 1 1 12 12 PRO HD3 H 1 3.79 0.03 . 1 . . . . . . . . 5141 1 70 . 1 1 12 12 PRO CA C 13 62.90 0.50 . 1 . . . . . . . . 5141 1 71 . 1 1 12 12 PRO CB C 13 32.42 0.50 . 1 . . . . . . . . 5141 1 72 . 1 1 12 12 PRO CG C 13 27.46 0.50 . 1 . . . . . . . . 5141 1 73 . 1 1 12 12 PRO CD C 13 50.36 0.50 . 1 . . . . . . . . 5141 1 74 . 1 1 13 13 LEU H H 1 8.15 0.03 . 1 . . . . . . . . 5141 1 75 . 1 1 13 13 LEU HA H 1 4.65 0.03 . 1 . . . . . . . . 5141 1 76 . 1 1 13 13 LEU HB2 H 1 1.42 0.03 . 1 . . . . . . . . 5141 1 77 . 1 1 13 13 LEU HB3 H 1 1.84 0.03 . 1 . . . . . . . . 5141 1 78 . 1 1 13 13 LEU HD11 H 1 0.97 0.03 . 1 . . . . . . . . 5141 1 79 . 1 1 13 13 LEU HD12 H 1 0.97 0.03 . 1 . . . . . . . . 5141 1 80 . 1 1 13 13 LEU HD13 H 1 0.97 0.03 . 1 . . . . . . . . 5141 1 81 . 1 1 13 13 LEU HD21 H 1 0.97 0.03 . 1 . . . . . . . . 5141 1 82 . 1 1 13 13 LEU HD22 H 1 0.97 0.03 . 1 . . . . . . . . 5141 1 83 . 1 1 13 13 LEU HD23 H 1 0.97 0.03 . 1 . . . . . . . . 5141 1 84 . 1 1 13 13 LEU CA C 13 54.89 0.50 . 1 . . . . . . . . 5141 1 85 . 1 1 13 13 LEU CB C 13 43.18 0.50 . 1 . . . . . . . . 5141 1 86 . 1 1 13 13 LEU CD1 C 13 26.83 0.50 . 1 . . . . . . . . 5141 1 87 . 1 1 13 13 LEU CD2 C 13 24.94 0.50 . 1 . . . . . . . . 5141 1 88 . 1 1 13 13 LEU N N 15 122.39 0.50 . 1 . . . . . . . . 5141 1 89 . 1 1 14 14 LEU H H 1 8.20 0.03 . 1 . . . . . . . . 5141 1 90 . 1 1 14 14 LEU HA H 1 4.78 0.03 . 1 . . . . . . . . 5141 1 91 . 1 1 14 14 LEU HB2 H 1 1.66 0.03 . 1 . . . . . . . . 5141 1 92 . 1 1 14 14 LEU HB3 H 1 1.30 0.03 . 1 . . . . . . . . 5141 1 93 . 1 1 14 14 LEU HG H 1 1.52 0.03 . 1 . . . . . . . . 5141 1 94 . 1 1 14 14 LEU HD11 H 1 0.76 0.03 . 1 . . . . . . . . 5141 1 95 . 1 1 14 14 LEU HD12 H 1 0.76 0.03 . 1 . . . . . . . . 5141 1 96 . 1 1 14 14 LEU HD13 H 1 0.76 0.03 . 1 . . . . . . . . 5141 1 97 . 1 1 14 14 LEU CA C 13 54.36 0.50 . 1 . . . . . . . . 5141 1 98 . 1 1 14 14 LEU CB C 13 43.66 0.50 . 1 . . . . . . . . 5141 1 99 . 1 1 14 14 LEU CG C 13 25.68 0.50 . 1 . . . . . . . . 5141 1 100 . 1 1 14 14 LEU CD1 C 13 23.92 0.50 . 1 . . . . . . . . 5141 1 101 . 1 1 14 14 LEU N N 15 128.00 0.50 . 1 . . . . . . . . 5141 1 102 . 1 1 15 15 LEU H H 1 8.69 0.03 . 1 . . . . . . . . 5141 1 103 . 1 1 15 15 LEU HA H 1 5.47 0.03 . 1 . . . . . . . . 5141 1 104 . 1 1 15 15 LEU HB2 H 1 2.01 0.03 . 1 . . . . . . . . 5141 1 105 . 1 1 15 15 LEU HB3 H 1 1.20 0.03 . 1 . . . . . . . . 5141 1 106 . 1 1 15 15 LEU HD11 H 1 0.95 0.03 . 1 . . . . . . . . 5141 1 107 . 1 1 15 15 LEU HD12 H 1 0.95 0.03 . 1 . . . . . . . . 5141 1 108 . 1 1 15 15 LEU HD13 H 1 0.95 0.03 . 1 . . . . . . . . 5141 1 109 . 1 1 15 15 LEU CA C 13 52.77 0.50 . 1 . . . . . . . . 5141 1 110 . 1 1 15 15 LEU CB C 13 46.02 0.50 . 1 . . . . . . . . 5141 1 111 . 1 1 15 15 LEU CG C 13 27.29 0.50 . 1 . . . . . . . . 5141 1 112 . 1 1 15 15 LEU CD1 C 13 24.14 0.50 . 1 . . . . . . . . 5141 1 113 . 1 1 15 15 LEU N N 15 122.33 0.50 . 1 . . . . . . . . 5141 1 114 . 1 1 16 16 GLN H H 1 9.34 0.03 . 1 . . . . . . . . 5141 1 115 . 1 1 16 16 GLN HA H 1 5.08 0.03 . 1 . . . . . . . . 5141 1 116 . 1 1 16 16 GLN HB2 H 1 2.16 0.03 . 1 . . . . . . . . 5141 1 117 . 1 1 16 16 GLN HB3 H 1 1.46 0.03 . 1 . . . . . . . . 5141 1 118 . 1 1 16 16 GLN CA C 13 54.36 0.50 . 1 . . . . . . . . 5141 1 119 . 1 1 16 16 GLN CB C 13 32.25 0.50 . 1 . . . . . . . . 5141 1 120 . 1 1 16 16 GLN CG C 13 34.52 0.50 . 1 . . . . . . . . 5141 1 121 . 1 1 16 16 GLN N N 15 122.08 0.50 . 1 . . . . . . . . 5141 1 122 . 1 1 17 17 LEU H H 1 9.06 0.03 . 1 . . . . . . . . 5141 1 123 . 1 1 17 17 LEU HA H 1 5.24 0.03 . 1 . . . . . . . . 5141 1 124 . 1 1 17 17 LEU HB2 H 1 1.19 0.03 . 1 . . . . . . . . 5141 1 125 . 1 1 17 17 LEU HB3 H 1 1.94 0.03 . 1 . . . . . . . . 5141 1 126 . 1 1 17 17 LEU HD11 H 1 0.90 0.03 . 1 . . . . . . . . 5141 1 127 . 1 1 17 17 LEU HD12 H 1 0.90 0.03 . 1 . . . . . . . . 5141 1 128 . 1 1 17 17 LEU HD13 H 1 0.90 0.03 . 1 . . . . . . . . 5141 1 129 . 1 1 17 17 LEU CA C 13 53.27 0.50 . 1 . . . . . . . . 5141 1 130 . 1 1 17 17 LEU CB C 13 44.94 0.50 . 1 . . . . . . . . 5141 1 131 . 1 1 17 17 LEU CG C 13 28.24 0.50 . 1 . . . . . . . . 5141 1 132 . 1 1 17 17 LEU CD1 C 13 23.26 0.50 . 1 . . . . . . . . 5141 1 133 . 1 1 17 17 LEU N N 15 126.62 0.50 . 1 . . . . . . . . 5141 1 134 . 1 1 18 18 PHE H H 1 9.78 0.03 . 1 . . . . . . . . 5141 1 135 . 1 1 18 18 PHE HA H 1 5.41 0.03 . 1 . . . . . . . . 5141 1 136 . 1 1 18 18 PHE HB2 H 1 3.06 0.03 . 1 . . . . . . . . 5141 1 137 . 1 1 18 18 PHE HB3 H 1 2.70 0.03 . 1 . . . . . . . . 5141 1 138 . 1 1 18 18 PHE HD1 H 1 7.03 0.03 . 1 . . . . . . . . 5141 1 139 . 1 1 18 18 PHE HD2 H 1 7.03 0.03 . 1 . . . . . . . . 5141 1 140 . 1 1 18 18 PHE HE1 H 1 7.18 0.03 . 1 . . . . . . . . 5141 1 141 . 1 1 18 18 PHE HE2 H 1 7.18 0.03 . 1 . . . . . . . . 5141 1 142 . 1 1 18 18 PHE CA C 13 57.37 0.50 . 1 . . . . . . . . 5141 1 143 . 1 1 18 18 PHE CB C 13 40.49 0.50 . 1 . . . . . . . . 5141 1 144 . 1 1 18 18 PHE CD1 C 13 131.90 0.50 . 1 . . . . . . . . 5141 1 145 . 1 1 18 18 PHE CD2 C 13 131.90 0.50 . 1 . . . . . . . . 5141 1 146 . 1 1 18 18 PHE CE1 C 13 132.07 0.50 . 1 . . . . . . . . 5141 1 147 . 1 1 18 18 PHE CE2 C 13 132.07 0.50 . 1 . . . . . . . . 5141 1 148 . 1 1 18 18 PHE N N 15 127.30 0.50 . 1 . . . . . . . . 5141 1 149 . 1 1 19 19 VAL H H 1 8.70 0.03 . 1 . . . . . . . . 5141 1 150 . 1 1 19 19 VAL HA H 1 4.84 0.03 . 1 . . . . . . . . 5141 1 151 . 1 1 19 19 VAL HB H 1 2.44 0.03 . 1 . . . . . . . . 5141 1 152 . 1 1 19 19 VAL HG11 H 1 0.87 0.03 . 1 . . . . . . . . 5141 1 153 . 1 1 19 19 VAL HG12 H 1 0.87 0.03 . 1 . . . . . . . . 5141 1 154 . 1 1 19 19 VAL HG13 H 1 0.87 0.03 . 1 . . . . . . . . 5141 1 155 . 1 1 19 19 VAL HG21 H 1 0.72 0.03 . 1 . . . . . . . . 5141 1 156 . 1 1 19 19 VAL HG22 H 1 0.72 0.03 . 1 . . . . . . . . 5141 1 157 . 1 1 19 19 VAL HG23 H 1 0.72 0.03 . 1 . . . . . . . . 5141 1 158 . 1 1 19 19 VAL CA C 13 59.00 0.50 . 1 . . . . . . . . 5141 1 159 . 1 1 19 19 VAL CB C 13 36.01 0.50 . 1 . . . . . . . . 5141 1 160 . 1 1 19 19 VAL CG1 C 13 21.95 0.50 . 1 . . . . . . . . 5141 1 161 . 1 1 19 19 VAL CG2 C 13 17.69 0.50 . 1 . . . . . . . . 5141 1 162 . 1 1 19 19 VAL N N 15 113.62 0.50 . 1 . . . . . . . . 5141 1 163 . 1 1 20 20 ASP H H 1 7.86 0.03 . 1 . . . . . . . . 5141 1 164 . 1 1 20 20 ASP HA H 1 5.13 0.03 . 1 . . . . . . . . 5141 1 165 . 1 1 20 20 ASP HB2 H 1 2.60 0.03 . 1 . . . . . . . . 5141 1 166 . 1 1 20 20 ASP HB3 H 1 3.38 0.03 . 1 . . . . . . . . 5141 1 167 . 1 1 20 20 ASP CA C 13 52.38 0.50 . 1 . . . . . . . . 5141 1 168 . 1 1 20 20 ASP CB C 13 42.36 0.50 . 1 . . . . . . . . 5141 1 169 . 1 1 20 20 ASP N N 15 119.74 0.50 . 1 . . . . . . . . 5141 1 170 . 1 1 21 21 THR H H 1 7.75 0.03 . 1 . . . . . . . . 5141 1 171 . 1 1 21 21 THR HA H 1 4.37 0.03 . 1 . . . . . . . . 5141 1 172 . 1 1 21 21 THR HB H 1 4.61 0.03 . 1 . . . . . . . . 5141 1 173 . 1 1 21 21 THR HG21 H 1 1.27 0.03 . 1 . . . . . . . . 5141 1 174 . 1 1 21 21 THR HG22 H 1 1.27 0.03 . 1 . . . . . . . . 5141 1 175 . 1 1 21 21 THR HG23 H 1 1.27 0.03 . 1 . . . . . . . . 5141 1 176 . 1 1 21 21 THR CA C 13 61.89 0.50 . 1 . . . . . . . . 5141 1 177 . 1 1 21 21 THR CB C 13 69.11 0.50 . 1 . . . . . . . . 5141 1 178 . 1 1 21 21 THR CG2 C 13 22.14 0.50 . 1 . . . . . . . . 5141 1 179 . 1 1 21 21 THR N N 15 106.05 0.50 . 1 . . . . . . . . 5141 1 180 . 1 1 22 22 ARG H H 1 8.42 0.03 . 1 . . . . . . . . 5141 1 181 . 1 1 22 22 ARG HA H 1 4.52 0.03 . 1 . . . . . . . . 5141 1 182 . 1 1 22 22 ARG HB2 H 1 2.06 0.03 . 1 . . . . . . . . 5141 1 183 . 1 1 22 22 ARG HB3 H 1 2.06 0.03 . 1 . . . . . . . . 5141 1 184 . 1 1 22 22 ARG HG2 H 1 1.83 0.03 . 1 . . . . . . . . 5141 1 185 . 1 1 22 22 ARG HG3 H 1 1.83 0.03 . 1 . . . . . . . . 5141 1 186 . 1 1 22 22 ARG HD2 H 1 3.24 0.03 . 1 . . . . . . . . 5141 1 187 . 1 1 22 22 ARG HD3 H 1 3.35 0.03 . 1 . . . . . . . . 5141 1 188 . 1 1 22 22 ARG CA C 13 56.27 0.50 . 1 . . . . . . . . 5141 1 189 . 1 1 22 22 ARG CB C 13 29.36 0.50 . 1 . . . . . . . . 5141 1 190 . 1 1 22 22 ARG CG C 13 27.34 0.50 . 1 . . . . . . . . 5141 1 191 . 1 1 22 22 ARG CD C 13 43.57 0.50 . 1 . . . . . . . . 5141 1 192 . 1 1 22 22 ARG N N 15 123.98 0.50 . 1 . . . . . . . . 5141 1 193 . 1 1 23 23 PRO HA H 1 4.30 0.03 . 1 . . . . . . . . 5141 1 194 . 1 1 23 23 PRO HB2 H 1 2.44 0.03 . 1 . . . . . . . . 5141 1 195 . 1 1 23 23 PRO HB3 H 1 2.01 0.03 . 1 . . . . . . . . 5141 1 196 . 1 1 23 23 PRO HG2 H 1 2.27 0.03 . 1 . . . . . . . . 5141 1 197 . 1 1 23 23 PRO HG3 H 1 2.12 0.03 . 1 . . . . . . . . 5141 1 198 . 1 1 23 23 PRO HD2 H 1 3.91 0.03 . 2 . . . . . . . . 5141 1 199 . 1 1 23 23 PRO HD3 H 1 4.01 0.03 . 2 . . . . . . . . 5141 1 200 . 1 1 23 23 PRO CA C 13 66.05 0.50 . 1 . . . . . . . . 5141 1 201 . 1 1 23 23 PRO CB C 13 31.87 0.50 . 1 . . . . . . . . 5141 1 202 . 1 1 23 23 PRO CG C 13 27.91 0.50 . 1 . . . . . . . . 5141 1 203 . 1 1 23 23 PRO CD C 13 50.39 0.50 . 1 . . . . . . . . 5141 1 204 . 1 1 23 23 PRO N N 15 137.15 0.50 . 1 . . . . . . . . 5141 1 205 . 1 1 24 24 LEU H H 1 8.19 0.03 . 1 . . . . . . . . 5141 1 206 . 1 1 24 24 LEU HA H 1 4.28 0.03 . 1 . . . . . . . . 5141 1 207 . 1 1 24 24 LEU HB2 H 1 1.85 0.03 . 1 . . . . . . . . 5141 1 208 . 1 1 24 24 LEU HB3 H 1 1.67 0.03 . 1 . . . . . . . . 5141 1 209 . 1 1 24 24 LEU HG H 1 1.70 0.03 . 1 . . . . . . . . 5141 1 210 . 1 1 24 24 LEU HD11 H 1 1.01 0.03 . 1 . . . . . . . . 5141 1 211 . 1 1 24 24 LEU HD12 H 1 1.01 0.03 . 1 . . . . . . . . 5141 1 212 . 1 1 24 24 LEU HD13 H 1 1.01 0.03 . 1 . . . . . . . . 5141 1 213 . 1 1 24 24 LEU HD21 H 1 0.99 0.03 . 1 . . . . . . . . 5141 1 214 . 1 1 24 24 LEU HD22 H 1 0.99 0.03 . 1 . . . . . . . . 5141 1 215 . 1 1 24 24 LEU HD23 H 1 0.99 0.03 . 1 . . . . . . . . 5141 1 216 . 1 1 24 24 LEU CA C 13 57.86 0.50 . 1 . . . . . . . . 5141 1 217 . 1 1 24 24 LEU CB C 13 41.72 0.50 . 1 . . . . . . . . 5141 1 218 . 1 1 24 24 LEU CG C 13 27.39 0.50 . 1 . . . . . . . . 5141 1 219 . 1 1 24 24 LEU CD1 C 13 24.12 0.50 . 1 . . . . . . . . 5141 1 220 . 1 1 24 24 LEU CD2 C 13 25.50 0.50 . 1 . . . . . . . . 5141 1 221 . 1 1 24 24 LEU N N 15 116.34 0.50 . 1 . . . . . . . . 5141 1 222 . 1 1 25 25 SER H H 1 7.80 0.03 . 1 . . . . . . . . 5141 1 223 . 1 1 25 25 SER HA H 1 4.12 0.03 . 1 . . . . . . . . 5141 1 224 . 1 1 25 25 SER HB2 H 1 3.82 0.03 . 1 . . . . . . . . 5141 1 225 . 1 1 25 25 SER HB3 H 1 4.28 0.03 . 1 . . . . . . . . 5141 1 226 . 1 1 25 25 SER CA C 13 62.87 0.50 . 1 . . . . . . . . 5141 1 227 . 1 1 25 25 SER CB C 13 62.87 0.50 . 1 . . . . . . . . 5141 1 228 . 1 1 25 25 SER N N 15 115.48 0.50 . 1 . . . . . . . . 5141 1 229 . 1 1 26 26 GLN H H 1 7.74 0.03 . 1 . . . . . . . . 5141 1 230 . 1 1 26 26 GLN HA H 1 4.01 0.03 . 1 . . . . . . . . 5141 1 231 . 1 1 26 26 GLN HB2 H 1 2.11 0.03 . 1 . . . . . . . . 5141 1 232 . 1 1 26 26 GLN HB3 H 1 2.11 0.03 . 1 . . . . . . . . 5141 1 233 . 1 1 26 26 GLN HG2 H 1 2.37 0.03 . 1 . . . . . . . . 5141 1 234 . 1 1 26 26 GLN HG3 H 1 2.37 0.03 . 1 . . . . . . . . 5141 1 235 . 1 1 26 26 GLN HE21 H 1 7.46 0.03 . 2 . . . . . . . . 5141 1 236 . 1 1 26 26 GLN CA C 13 58.69 0.50 . 1 . . . . . . . . 5141 1 237 . 1 1 26 26 GLN CB C 13 27.95 0.50 . 1 . . . . . . . . 5141 1 238 . 1 1 26 26 GLN CG C 13 33.66 0.50 . 1 . . . . . . . . 5141 1 239 . 1 1 26 26 GLN N N 15 119.26 0.50 . 1 . . . . . . . . 5141 1 240 . 1 1 26 26 GLN NE2 N 15 112.32 0.50 . 1 . . . . . . . . 5141 1 241 . 1 1 27 27 HIS H H 1 7.86 0.03 . 1 . . . . . . . . 5141 1 242 . 1 1 27 27 HIS HA H 1 4.54 0.03 . 1 . . . . . . . . 5141 1 243 . 1 1 27 27 HIS HB2 H 1 3.29 0.03 . 1 . . . . . . . . 5141 1 244 . 1 1 27 27 HIS HB3 H 1 3.29 0.03 . 1 . . . . . . . . 5141 1 245 . 1 1 27 27 HIS HD2 H 1 6.99 0.03 . 1 . . . . . . . . 5141 1 246 . 1 1 27 27 HIS HE1 H 1 7.73 0.03 . 1 . . . . . . . . 5141 1 247 . 1 1 27 27 HIS CA C 13 58.51 0.50 . 1 . . . . . . . . 5141 1 248 . 1 1 27 27 HIS CB C 13 30.45 0.50 . 1 . . . . . . . . 5141 1 249 . 1 1 27 27 HIS CD2 C 13 119.82 0.50 . 1 . . . . . . . . 5141 1 250 . 1 1 27 27 HIS CE1 C 13 138.77 0.50 . 1 . . . . . . . . 5141 1 251 . 1 1 27 27 HIS N N 15 118.97 0.50 . 1 . . . . . . . . 5141 1 252 . 1 1 28 28 ILE H H 1 7.91 0.03 . 1 . . . . . . . . 5141 1 253 . 1 1 28 28 ILE HA H 1 3.75 0.03 . 1 . . . . . . . . 5141 1 254 . 1 1 28 28 ILE HB H 1 2.20 0.03 . 1 . . . . . . . . 5141 1 255 . 1 1 28 28 ILE HG12 H 1 1.73 0.03 . 2 . . . . . . . . 5141 1 256 . 1 1 28 28 ILE HG13 H 1 1.51 0.03 . 2 . . . . . . . . 5141 1 257 . 1 1 28 28 ILE HG21 H 1 0.94 0.03 . 1 . . . . . . . . 5141 1 258 . 1 1 28 28 ILE HG22 H 1 0.94 0.03 . 1 . . . . . . . . 5141 1 259 . 1 1 28 28 ILE HG23 H 1 0.94 0.03 . 1 . . . . . . . . 5141 1 260 . 1 1 28 28 ILE HD11 H 1 0.98 0.03 . 1 . . . . . . . . 5141 1 261 . 1 1 28 28 ILE HD12 H 1 0.98 0.03 . 1 . . . . . . . . 5141 1 262 . 1 1 28 28 ILE HD13 H 1 0.98 0.03 . 1 . . . . . . . . 5141 1 263 . 1 1 28 28 ILE CA C 13 64.16 0.50 . 1 . . . . . . . . 5141 1 264 . 1 1 28 28 ILE CB C 13 37.35 0.50 . 1 . . . . . . . . 5141 1 265 . 1 1 28 28 ILE CG1 C 13 29.72 0.50 . 1 . . . . . . . . 5141 1 266 . 1 1 28 28 ILE CG2 C 13 17.95 0.50 . 1 . . . . . . . . 5141 1 267 . 1 1 28 28 ILE CD1 C 13 13.36 0.50 . 1 . . . . . . . . 5141 1 268 . 1 1 28 28 ILE N N 15 120.11 0.50 . 1 . . . . . . . . 5141 1 269 . 1 1 29 29 VAL H H 1 8.08 0.03 . 1 . . . . . . . . 5141 1 270 . 1 1 29 29 VAL HA H 1 3.28 0.03 . 1 . . . . . . . . 5141 1 271 . 1 1 29 29 VAL HB H 1 2.19 0.03 . 1 . . . . . . . . 5141 1 272 . 1 1 29 29 VAL HG21 H 1 1.12 0.03 . 1 . . . . . . . . 5141 1 273 . 1 1 29 29 VAL HG22 H 1 1.12 0.03 . 1 . . . . . . . . 5141 1 274 . 1 1 29 29 VAL HG23 H 1 1.12 0.03 . 1 . . . . . . . . 5141 1 275 . 1 1 29 29 VAL HG11 H 1 0.90 0.03 . 1 . . . . . . . . 5141 1 276 . 1 1 29 29 VAL HG12 H 1 0.90 0.03 . 1 . . . . . . . . 5141 1 277 . 1 1 29 29 VAL HG13 H 1 0.90 0.03 . 1 . . . . . . . . 5141 1 278 . 1 1 29 29 VAL CA C 13 67.53 0.50 . 1 . . . . . . . . 5141 1 279 . 1 1 29 29 VAL CB C 13 31.69 0.50 . 1 . . . . . . . . 5141 1 280 . 1 1 29 29 VAL CG2 C 13 23.65 0.50 . 1 . . . . . . . . 5141 1 281 . 1 1 29 29 VAL CG1 C 13 21.65 0.50 . 1 . . . . . . . . 5141 1 282 . 1 1 29 29 VAL N N 15 119.72 0.50 . 1 . . . . . . . . 5141 1 283 . 1 1 30 30 GLN H H 1 7.57 0.03 . 1 . . . . . . . . 5141 1 284 . 1 1 30 30 GLN HA H 1 3.90 0.03 . 1 . . . . . . . . 5141 1 285 . 1 1 30 30 GLN HB2 H 1 2.19 0.03 . 1 . . . . . . . . 5141 1 286 . 1 1 30 30 GLN HB3 H 1 2.19 0.03 . 1 . . . . . . . . 5141 1 287 . 1 1 30 30 GLN HG2 H 1 2.45 0.03 . 1 . . . . . . . . 5141 1 288 . 1 1 30 30 GLN HG3 H 1 2.45 0.03 . 1 . . . . . . . . 5141 1 289 . 1 1 30 30 GLN HE21 H 1 7.04 0.03 . 1 . . . . . . . . 5141 1 290 . 1 1 30 30 GLN HE22 H 1 7.44 0.03 . 1 . . . . . . . . 5141 1 291 . 1 1 30 30 GLN CA C 13 58.67 0.50 . 1 . . . . . . . . 5141 1 292 . 1 1 30 30 GLN CB C 13 28.46 0.50 . 1 . . . . . . . . 5141 1 293 . 1 1 30 30 GLN CG C 13 33.95 0.50 . 1 . . . . . . . . 5141 1 294 . 1 1 30 30 GLN N N 15 116.65 0.50 . 1 . . . . . . . . 5141 1 295 . 1 1 30 30 GLN NE2 N 15 113.81 0.50 . 1 . . . . . . . . 5141 1 296 . 1 1 31 31 ARG H H 1 8.05 0.03 . 1 . . . . . . . . 5141 1 297 . 1 1 31 31 ARG HA H 1 4.07 0.03 . 1 . . . . . . . . 5141 1 298 . 1 1 31 31 ARG HB2 H 1 1.91 0.03 . 1 . . . . . . . . 5141 1 299 . 1 1 31 31 ARG HB3 H 1 1.91 0.03 . 1 . . . . . . . . 5141 1 300 . 1 1 31 31 ARG HG2 H 1 1.65 0.03 . 2 . . . . . . . . 5141 1 301 . 1 1 31 31 ARG HG3 H 1 1.77 0.03 . 2 . . . . . . . . 5141 1 302 . 1 1 31 31 ARG HD2 H 1 3.22 0.03 . 1 . . . . . . . . 5141 1 303 . 1 1 31 31 ARG HD3 H 1 3.22 0.03 . 1 . . . . . . . . 5141 1 304 . 1 1 31 31 ARG CA C 13 59.18 0.50 . 1 . . . . . . . . 5141 1 305 . 1 1 31 31 ARG CB C 13 30.42 0.50 . 1 . . . . . . . . 5141 1 306 . 1 1 31 31 ARG CG C 13 27.49 0.50 . 1 . . . . . . . . 5141 1 307 . 1 1 31 31 ARG CD C 13 43.23 0.50 . 1 . . . . . . . . 5141 1 308 . 1 1 31 31 ARG N N 15 118.49 0.50 . 1 . . . . . . . . 5141 1 309 . 1 1 32 32 VAL H H 1 8.67 0.03 . 1 . . . . . . . . 5141 1 310 . 1 1 32 32 VAL HA H 1 3.42 0.03 . 1 . . . . . . . . 5141 1 311 . 1 1 32 32 VAL HB H 1 2.20 0.03 . 1 . . . . . . . . 5141 1 312 . 1 1 32 32 VAL HG11 H 1 0.96 0.03 . 1 . . . . . . . . 5141 1 313 . 1 1 32 32 VAL HG12 H 1 0.96 0.03 . 1 . . . . . . . . 5141 1 314 . 1 1 32 32 VAL HG13 H 1 0.96 0.03 . 1 . . . . . . . . 5141 1 315 . 1 1 32 32 VAL HG21 H 1 0.81 0.03 . 1 . . . . . . . . 5141 1 316 . 1 1 32 32 VAL HG22 H 1 0.81 0.03 . 1 . . . . . . . . 5141 1 317 . 1 1 32 32 VAL HG23 H 1 0.81 0.03 . 1 . . . . . . . . 5141 1 318 . 1 1 32 32 VAL CA C 13 67.50 0.50 . 1 . . . . . . . . 5141 1 319 . 1 1 32 32 VAL CB C 13 30.90 0.50 . 1 . . . . . . . . 5141 1 320 . 1 1 32 32 VAL CG1 C 13 24.35 0.50 . 1 . . . . . . . . 5141 1 321 . 1 1 32 32 VAL CG2 C 13 21.70 0.50 . 1 . . . . . . . . 5141 1 322 . 1 1 32 32 VAL N N 15 119.53 0.50 . 1 . . . . . . . . 5141 1 323 . 1 1 33 33 LYS H H 1 8.35 0.03 . 1 . . . . . . . . 5141 1 324 . 1 1 33 33 LYS HA H 1 3.77 0.03 . 1 . . . . . . . . 5141 1 325 . 1 1 33 33 LYS HB2 H 1 1.86 0.03 . 1 . . . . . . . . 5141 1 326 . 1 1 33 33 LYS HB3 H 1 1.86 0.03 . 1 . . . . . . . . 5141 1 327 . 1 1 33 33 LYS HG2 H 1 1.63 0.03 . 2 . . . . . . . . 5141 1 328 . 1 1 33 33 LYS HG3 H 1 1.26 0.03 . 2 . . . . . . . . 5141 1 329 . 1 1 33 33 LYS HD2 H 1 1.59 0.03 . 1 . . . . . . . . 5141 1 330 . 1 1 33 33 LYS HD3 H 1 1.59 0.03 . 1 . . . . . . . . 5141 1 331 . 1 1 33 33 LYS HE2 H 1 3.01 0.03 . 1 . . . . . . . . 5141 1 332 . 1 1 33 33 LYS HE3 H 1 2.86 0.03 . 1 . . . . . . . . 5141 1 333 . 1 1 33 33 LYS CA C 13 61.13 0.50 . 1 . . . . . . . . 5141 1 334 . 1 1 33 33 LYS CB C 13 32.08 0.50 . 1 . . . . . . . . 5141 1 335 . 1 1 33 33 LYS CG C 13 26.91 0.50 . 1 . . . . . . . . 5141 1 336 . 1 1 33 33 LYS CD C 13 29.88 0.50 . 1 . . . . . . . . 5141 1 337 . 1 1 33 33 LYS CE C 13 41.89 0.50 . 1 . . . . . . . . 5141 1 338 . 1 1 33 33 LYS N N 15 118.27 0.50 . 1 . . . . . . . . 5141 1 339 . 1 1 34 34 ASN H H 1 8.22 0.03 . 1 . . . . . . . . 5141 1 340 . 1 1 34 34 ASN HA H 1 4.47 0.03 . 1 . . . . . . . . 5141 1 341 . 1 1 34 34 ASN HB2 H 1 3.01 0.03 . 1 . . . . . . . . 5141 1 342 . 1 1 34 34 ASN HB3 H 1 2.85 0.03 . 1 . . . . . . . . 5141 1 343 . 1 1 34 34 ASN CA C 13 56.09 0.50 . 1 . . . . . . . . 5141 1 344 . 1 1 34 34 ASN CB C 13 38.08 0.50 . 1 . . . . . . . . 5141 1 345 . 1 1 34 34 ASN N N 15 118.40 0.50 . 1 . . . . . . . . 5141 1 346 . 1 1 35 35 ILE H H 1 8.06 0.03 . 1 . . . . . . . . 5141 1 347 . 1 1 35 35 ILE HA H 1 3.72 0.03 . 1 . . . . . . . . 5141 1 348 . 1 1 35 35 ILE HB H 1 1.94 0.03 . 1 . . . . . . . . 5141 1 349 . 1 1 35 35 ILE HG12 H 1 1.83 0.03 . 1 . . . . . . . . 5141 1 350 . 1 1 35 35 ILE HG13 H 1 1.13 0.03 . 1 . . . . . . . . 5141 1 351 . 1 1 35 35 ILE HG21 H 1 0.78 0.03 . 1 . . . . . . . . 5141 1 352 . 1 1 35 35 ILE HG22 H 1 0.78 0.03 . 1 . . . . . . . . 5141 1 353 . 1 1 35 35 ILE HG23 H 1 0.78 0.03 . 1 . . . . . . . . 5141 1 354 . 1 1 35 35 ILE HD11 H 1 0.86 0.03 . 1 . . . . . . . . 5141 1 355 . 1 1 35 35 ILE HD12 H 1 0.86 0.03 . 1 . . . . . . . . 5141 1 356 . 1 1 35 35 ILE HD13 H 1 0.86 0.03 . 1 . . . . . . . . 5141 1 357 . 1 1 35 35 ILE CA C 13 65.20 0.50 . 1 . . . . . . . . 5141 1 358 . 1 1 35 35 ILE CB C 13 38.40 0.50 . 1 . . . . . . . . 5141 1 359 . 1 1 35 35 ILE CG2 C 13 17.02 0.50 . 1 . . . . . . . . 5141 1 360 . 1 1 35 35 ILE CG1 C 13 29.75 0.50 . 1 . . . . . . . . 5141 1 361 . 1 1 35 35 ILE CD1 C 13 14.11 0.50 . 1 . . . . . . . . 5141 1 362 . 1 1 35 35 ILE N N 15 122.89 0.50 . 1 . . . . . . . . 5141 1 363 . 1 1 36 36 LEU H H 1 8.11 0.03 . 1 . . . . . . . . 5141 1 364 . 1 1 36 36 LEU HA H 1 4.00 0.03 . 1 . . . . . . . . 5141 1 365 . 1 1 36 36 LEU HB2 H 1 1.89 0.03 . 1 . . . . . . . . 5141 1 366 . 1 1 36 36 LEU HB3 H 1 1.50 0.03 . 1 . . . . . . . . 5141 1 367 . 1 1 36 36 LEU HD11 H 1 0.85 0.03 . 1 . . . . . . . . 5141 1 368 . 1 1 36 36 LEU HD12 H 1 0.85 0.03 . 1 . . . . . . . . 5141 1 369 . 1 1 36 36 LEU HD13 H 1 0.85 0.03 . 1 . . . . . . . . 5141 1 370 . 1 1 36 36 LEU CA C 13 57.34 0.50 . 1 . . . . . . . . 5141 1 371 . 1 1 36 36 LEU CB C 13 40.92 0.50 . 1 . . . . . . . . 5141 1 372 . 1 1 36 36 LEU CG C 13 27.07 0.50 . 1 . . . . . . . . 5141 1 373 . 1 1 36 36 LEU CD1 C 13 22.98 0.50 . 1 . . . . . . . . 5141 1 374 . 1 1 36 36 LEU N N 15 117.74 0.50 . 1 . . . . . . . . 5141 1 375 . 1 1 37 37 ALA H H 1 7.98 0.03 . 1 . . . . . . . . 5141 1 376 . 1 1 37 37 ALA HA H 1 4.25 0.03 . 1 . . . . . . . . 5141 1 377 . 1 1 37 37 ALA HB1 H 1 1.54 0.03 . 1 . . . . . . . . 5141 1 378 . 1 1 37 37 ALA HB2 H 1 1.54 0.03 . 1 . . . . . . . . 5141 1 379 . 1 1 37 37 ALA HB3 H 1 1.54 0.03 . 1 . . . . . . . . 5141 1 380 . 1 1 37 37 ALA CA C 13 53.90 0.50 . 1 . . . . . . . . 5141 1 381 . 1 1 37 37 ALA CB C 13 18.41 0.50 . 1 . . . . . . . . 5141 1 382 . 1 1 37 37 ALA N N 15 119.52 0.50 . 1 . . . . . . . . 5141 1 383 . 1 1 38 38 ALA H H 1 7.23 0.03 . 1 . . . . . . . . 5141 1 384 . 1 1 38 38 ALA HA H 1 4.35 0.03 . 1 . . . . . . . . 5141 1 385 . 1 1 38 38 ALA HB1 H 1 1.52 0.03 . 1 . . . . . . . . 5141 1 386 . 1 1 38 38 ALA HB2 H 1 1.52 0.03 . 1 . . . . . . . . 5141 1 387 . 1 1 38 38 ALA HB3 H 1 1.52 0.03 . 1 . . . . . . . . 5141 1 388 . 1 1 38 38 ALA CA C 13 52.83 0.50 . 1 . . . . . . . . 5141 1 389 . 1 1 38 38 ALA CB C 13 19.14 0.50 . 1 . . . . . . . . 5141 1 390 . 1 1 38 38 ALA N N 15 117.96 0.50 . 1 . . . . . . . . 5141 1 391 . 1 1 39 39 VAL H H 1 7.20 0.03 . 1 . . . . . . . . 5141 1 392 . 1 1 39 39 VAL HA H 1 4.18 0.03 . 1 . . . . . . . . 5141 1 393 . 1 1 39 39 VAL HB H 1 2.24 0.03 . 1 . . . . . . . . 5141 1 394 . 1 1 39 39 VAL HG11 H 1 1.02 0.03 . 1 . . . . . . . . 5141 1 395 . 1 1 39 39 VAL HG12 H 1 1.02 0.03 . 1 . . . . . . . . 5141 1 396 . 1 1 39 39 VAL HG13 H 1 1.02 0.03 . 1 . . . . . . . . 5141 1 397 . 1 1 39 39 VAL CA C 13 62.04 0.50 . 1 . . . . . . . . 5141 1 398 . 1 1 39 39 VAL CB C 13 32.77 0.50 . 1 . . . . . . . . 5141 1 399 . 1 1 39 39 VAL CG1 C 13 21.66 0.50 . 1 . . . . . . . . 5141 1 400 . 1 1 39 39 VAL N N 15 115.42 0.50 . 1 . . . . . . . . 5141 1 401 . 1 1 40 40 GLU H H 1 8.22 0.03 . 1 . . . . . . . . 5141 1 402 . 1 1 40 40 GLU HA H 1 4.36 0.03 . 1 . . . . . . . . 5141 1 403 . 1 1 40 40 GLU HB2 H 1 2.05 0.03 . 1 . . . . . . . . 5141 1 404 . 1 1 40 40 GLU HB3 H 1 2.05 0.03 . 1 . . . . . . . . 5141 1 405 . 1 1 40 40 GLU HG2 H 1 2.31 0.03 . 1 . . . . . . . . 5141 1 406 . 1 1 40 40 GLU HG3 H 1 2.31 0.03 . 1 . . . . . . . . 5141 1 407 . 1 1 40 40 GLU CA C 13 56.85 0.50 . 1 . . . . . . . . 5141 1 408 . 1 1 40 40 GLU CB C 13 29.48 0.50 . 1 . . . . . . . . 5141 1 409 . 1 1 40 40 GLU CG C 13 36.38 0.50 . 1 . . . . . . . . 5141 1 410 . 1 1 40 40 GLU N N 15 124.77 0.50 . 1 . . . . . . . . 5141 1 411 . 1 1 41 41 ALA H H 1 8.29 0.03 . 1 . . . . . . . . 5141 1 412 . 1 1 41 41 ALA HA H 1 4.47 0.03 . 1 . . . . . . . . 5141 1 413 . 1 1 41 41 ALA HB1 H 1 1.50 0.03 . 1 . . . . . . . . 5141 1 414 . 1 1 41 41 ALA HB2 H 1 1.50 0.03 . 1 . . . . . . . . 5141 1 415 . 1 1 41 41 ALA HB3 H 1 1.50 0.03 . 1 . . . . . . . . 5141 1 416 . 1 1 41 41 ALA CA C 13 52.67 0.50 . 1 . . . . . . . . 5141 1 417 . 1 1 41 41 ALA CB C 13 20.21 0.50 . 1 . . . . . . . . 5141 1 418 . 1 1 41 41 ALA N N 15 124.26 0.50 . 1 . . . . . . . . 5141 1 419 . 1 1 42 42 THR H H 1 8.32 0.03 . 1 . . . . . . . . 5141 1 420 . 1 1 42 42 THR HA H 1 4.28 0.03 . 1 . . . . . . . . 5141 1 421 . 1 1 42 42 THR HB H 1 4.39 0.03 . 1 . . . . . . . . 5141 1 422 . 1 1 42 42 THR HG21 H 1 1.27 0.03 . 1 . . . . . . . . 5141 1 423 . 1 1 42 42 THR HG22 H 1 1.27 0.03 . 1 . . . . . . . . 5141 1 424 . 1 1 42 42 THR HG23 H 1 1.27 0.03 . 1 . . . . . . . . 5141 1 425 . 1 1 42 42 THR CA C 13 62.67 0.50 . 1 . . . . . . . . 5141 1 426 . 1 1 42 42 THR CB C 13 69.11 0.50 . 1 . . . . . . . . 5141 1 427 . 1 1 42 42 THR CG2 C 13 22.20 0.50 . 1 . . . . . . . . 5141 1 428 . 1 1 42 42 THR N N 15 111.12 0.50 . 1 . . . . . . . . 5141 1 429 . 1 1 43 43 VAL H H 1 7.37 0.03 . 1 . . . . . . . . 5141 1 430 . 1 1 43 43 VAL HA H 1 4.48 0.03 . 1 . . . . . . . . 5141 1 431 . 1 1 43 43 VAL HB H 1 2.02 0.03 . 1 . . . . . . . . 5141 1 432 . 1 1 43 43 VAL HG11 H 1 0.90 0.03 . 1 . . . . . . . . 5141 1 433 . 1 1 43 43 VAL HG12 H 1 0.90 0.03 . 1 . . . . . . . . 5141 1 434 . 1 1 43 43 VAL HG13 H 1 0.90 0.03 . 1 . . . . . . . . 5141 1 435 . 1 1 43 43 VAL CA C 13 58.77 0.50 . 1 . . . . . . . . 5141 1 436 . 1 1 43 43 VAL CB C 13 33.79 0.50 . 1 . . . . . . . . 5141 1 437 . 1 1 43 43 VAL CG1 C 13 19.68 0.50 . 2 . . . . . . . . 5141 1 438 . 1 1 43 43 VAL N N 15 120.70 0.50 . 1 . . . . . . . . 5141 1 439 . 1 1 44 44 PRO HA H 1 4.39 0.03 . 1 . . . . . . . . 5141 1 440 . 1 1 44 44 PRO HB2 H 1 1.61 0.03 . 1 . . . . . . . . 5141 1 441 . 1 1 44 44 PRO HB3 H 1 2.12 0.03 . 1 . . . . . . . . 5141 1 442 . 1 1 44 44 PRO HG2 H 1 1.92 0.03 . 1 . . . . . . . . 5141 1 443 . 1 1 44 44 PRO HG3 H 1 1.92 0.03 . 1 . . . . . . . . 5141 1 444 . 1 1 44 44 PRO HD2 H 1 3.83 0.03 . 1 . . . . . . . . 5141 1 445 . 1 1 44 44 PRO HD3 H 1 3.79 0.03 . 1 . . . . . . . . 5141 1 446 . 1 1 44 44 PRO CA C 13 62.64 0.50 . 1 . . . . . . . . 5141 1 447 . 1 1 44 44 PRO CB C 13 31.72 0.50 . 1 . . . . . . . . 5141 1 448 . 1 1 44 44 PRO CG C 13 27.58 0.50 . 1 . . . . . . . . 5141 1 449 . 1 1 44 44 PRO CD C 13 50.68 0.50 . 1 . . . . . . . . 5141 1 450 . 1 1 44 44 PRO N N 15 136.83 0.50 . 1 . . . . . . . . 5141 1 451 . 1 1 45 45 ILE H H 1 8.21 0.03 . 1 . . . . . . . . 5141 1 452 . 1 1 45 45 ILE HA H 1 4.62 0.03 . 1 . . . . . . . . 5141 1 453 . 1 1 45 45 ILE HB H 1 1.76 0.03 . 1 . . . . . . . . 5141 1 454 . 1 1 45 45 ILE HG12 H 1 1.05 0.03 . 2 . . . . . . . . 5141 1 455 . 1 1 45 45 ILE HG13 H 1 1.84 0.03 . 2 . . . . . . . . 5141 1 456 . 1 1 45 45 ILE HG21 H 1 0.85 0.03 . 1 . . . . . . . . 5141 1 457 . 1 1 45 45 ILE HG22 H 1 0.85 0.03 . 1 . . . . . . . . 5141 1 458 . 1 1 45 45 ILE HG23 H 1 0.85 0.03 . 1 . . . . . . . . 5141 1 459 . 1 1 45 45 ILE HD11 H 1 0.94 0.03 . 1 . . . . . . . . 5141 1 460 . 1 1 45 45 ILE HD12 H 1 0.94 0.03 . 1 . . . . . . . . 5141 1 461 . 1 1 45 45 ILE HD13 H 1 0.94 0.03 . 1 . . . . . . . . 5141 1 462 . 1 1 45 45 ILE CA C 13 60.60 0.50 . 1 . . . . . . . . 5141 1 463 . 1 1 45 45 ILE CB C 13 40.74 0.50 . 1 . . . . . . . . 5141 1 464 . 1 1 45 45 ILE CG1 C 13 27.26 0.50 . 1 . . . . . . . . 5141 1 465 . 1 1 45 45 ILE CG2 C 13 18.03 0.50 . 1 . . . . . . . . 5141 1 466 . 1 1 45 45 ILE CD1 C 13 14.40 0.50 . 1 . . . . . . . . 5141 1 467 . 1 1 45 45 ILE N N 15 121.94 0.50 . 1 . . . . . . . . 5141 1 468 . 1 1 46 46 SER H H 1 9.01 0.03 . 1 . . . . . . . . 5141 1 469 . 1 1 46 46 SER HA H 1 4.72 0.03 . 1 . . . . . . . . 5141 1 470 . 1 1 46 46 SER HB2 H 1 3.93 0.03 . 2 . . . . . . . . 5141 1 471 . 1 1 46 46 SER HB3 H 1 3.61 0.03 . 2 . . . . . . . . 5141 1 472 . 1 1 46 46 SER CA C 13 56.36 0.50 . 1 . . . . . . . . 5141 1 473 . 1 1 46 46 SER CB C 13 64.12 0.50 . 1 . . . . . . . . 5141 1 474 . 1 1 46 46 SER N N 15 123.49 0.50 . 1 . . . . . . . . 5141 1 475 . 1 1 47 47 LEU H H 1 8.58 0.03 . 1 . . . . . . . . 5141 1 476 . 1 1 47 47 LEU HA H 1 5.03 0.03 . 1 . . . . . . . . 5141 1 477 . 1 1 47 47 LEU HB2 H 1 1.04 0.03 . 2 . . . . . . . . 5141 1 478 . 1 1 47 47 LEU HB3 H 1 1.85 0.03 . 2 . . . . . . . . 5141 1 479 . 1 1 47 47 LEU HD11 H 1 0.73 0.03 . 1 . . . . . . . . 5141 1 480 . 1 1 47 47 LEU HD12 H 1 0.73 0.03 . 1 . . . . . . . . 5141 1 481 . 1 1 47 47 LEU HD13 H 1 0.73 0.03 . 1 . . . . . . . . 5141 1 482 . 1 1 47 47 LEU HD21 H 1 0.73 0.03 . 1 . . . . . . . . 5141 1 483 . 1 1 47 47 LEU HD22 H 1 0.73 0.03 . 1 . . . . . . . . 5141 1 484 . 1 1 47 47 LEU HD23 H 1 0.73 0.03 . 1 . . . . . . . . 5141 1 485 . 1 1 47 47 LEU CA C 13 53.46 0.50 . 1 . . . . . . . . 5141 1 486 . 1 1 47 47 LEU CB C 13 44.18 0.50 . 1 . . . . . . . . 5141 1 487 . 1 1 47 47 LEU CG C 13 27.90 0.50 . 1 . . . . . . . . 5141 1 488 . 1 1 47 47 LEU CD1 C 13 26.23 0.50 . 1 . . . . . . . . 5141 1 489 . 1 1 47 47 LEU CD2 C 13 24.27 0.50 . 1 . . . . . . . . 5141 1 490 . 1 1 47 47 LEU N N 15 128.26 0.50 . 1 . . . . . . . . 5141 1 491 . 1 1 48 48 GLN H H 1 8.35 0.03 . 1 . . . . . . . . 5141 1 492 . 1 1 48 48 GLN HA H 1 4.65 0.03 . 1 . . . . . . . . 5141 1 493 . 1 1 48 48 GLN HB2 H 1 1.96 0.03 . 1 . . . . . . . . 5141 1 494 . 1 1 48 48 GLN HB3 H 1 1.88 0.03 . 1 . . . . . . . . 5141 1 495 . 1 1 48 48 GLN HG2 H 1 2.39 0.03 . 2 . . . . . . . . 5141 1 496 . 1 1 48 48 GLN HG3 H 1 2.16 0.03 . 2 . . . . . . . . 5141 1 497 . 1 1 48 48 GLN CA C 13 54.12 0.50 . 1 . . . . . . . . 5141 1 498 . 1 1 48 48 GLN CB C 13 31.10 0.50 . 1 . . . . . . . . 5141 1 499 . 1 1 48 48 GLN CG C 13 33.58 0.50 . 1 . . . . . . . . 5141 1 500 . 1 1 48 48 GLN N N 15 127.97 0.50 . 1 . . . . . . . . 5141 1 501 . 1 1 49 49 VAL H H 1 8.83 0.03 . 1 . . . . . . . . 5141 1 502 . 1 1 49 49 VAL HA H 1 4.54 0.03 . 1 . . . . . . . . 5141 1 503 . 1 1 49 49 VAL HB H 1 1.99 0.03 . 1 . . . . . . . . 5141 1 504 . 1 1 49 49 VAL HG11 H 1 0.86 0.03 . 1 . . . . . . . . 5141 1 505 . 1 1 49 49 VAL HG12 H 1 0.86 0.03 . 1 . . . . . . . . 5141 1 506 . 1 1 49 49 VAL HG13 H 1 0.86 0.03 . 1 . . . . . . . . 5141 1 507 . 1 1 49 49 VAL CA C 13 62.51 0.50 . 1 . . . . . . . . 5141 1 508 . 1 1 49 49 VAL CB C 13 31.91 0.50 . 1 . . . . . . . . 5141 1 509 . 1 1 49 49 VAL CG1 C 13 21.71 0.50 . 1 . . . . . . . . 5141 1 510 . 1 1 49 49 VAL N N 15 127.55 0.50 . 1 . . . . . . . . 5141 1 511 . 1 1 50 50 ILE H H 1 9.34 0.03 . 1 . . . . . . . . 5141 1 512 . 1 1 50 50 ILE HA H 1 4.06 0.03 . 1 . . . . . . . . 5141 1 513 . 1 1 50 50 ILE HB H 1 0.87 0.03 . 1 . . . . . . . . 5141 1 514 . 1 1 50 50 ILE HG21 H 1 0.74 0.03 . 1 . . . . . . . . 5141 1 515 . 1 1 50 50 ILE HG22 H 1 0.74 0.03 . 1 . . . . . . . . 5141 1 516 . 1 1 50 50 ILE HG23 H 1 0.74 0.03 . 1 . . . . . . . . 5141 1 517 . 1 1 50 50 ILE HG12 H 1 0.94 0.03 . 1 . . . . . . . . 5141 1 518 . 1 1 50 50 ILE HG13 H 1 0.62 0.03 . 1 . . . . . . . . 5141 1 519 . 1 1 50 50 ILE HD11 H 1 0.32 0.03 . 1 . . . . . . . . 5141 1 520 . 1 1 50 50 ILE HD12 H 1 0.32 0.03 . 1 . . . . . . . . 5141 1 521 . 1 1 50 50 ILE HD13 H 1 0.32 0.03 . 1 . . . . . . . . 5141 1 522 . 1 1 50 50 ILE CA C 13 60.22 0.50 . 1 . . . . . . . . 5141 1 523 . 1 1 50 50 ILE CB C 13 41.23 0.50 . 1 . . . . . . . . 5141 1 524 . 1 1 50 50 ILE CG1 C 13 27.48 0.50 . 1 . . . . . . . . 5141 1 525 . 1 1 50 50 ILE CG2 C 13 18.30 0.50 . 1 . . . . . . . . 5141 1 526 . 1 1 50 50 ILE CD1 C 13 13.66 0.50 . 1 . . . . . . . . 5141 1 527 . 1 1 50 50 ILE N N 15 131.37 0.50 . 1 . . . . . . . . 5141 1 528 . 1 1 51 51 ASN H H 1 8.94 0.03 . 1 . . . . . . . . 5141 1 529 . 1 1 51 51 ASN HA H 1 5.14 0.03 . 1 . . . . . . . . 5141 1 530 . 1 1 51 51 ASN HB2 H 1 2.67 0.03 . 1 . . . . . . . . 5141 1 531 . 1 1 51 51 ASN HB3 H 1 2.96 0.03 . 1 . . . . . . . . 5141 1 532 . 1 1 51 51 ASN CA C 13 52.23 0.50 . 1 . . . . . . . . 5141 1 533 . 1 1 51 51 ASN CB C 13 38.31 0.50 . 1 . . . . . . . . 5141 1 534 . 1 1 51 51 ASN N N 15 126.34 0.50 . 1 . . . . . . . . 5141 1 535 . 1 1 52 52 VAL H H 1 8.94 0.03 . 1 . . . . . . . . 5141 1 536 . 1 1 52 52 VAL HA H 1 3.83 0.03 . 1 . . . . . . . . 5141 1 537 . 1 1 52 52 VAL HB H 1 2.28 0.03 . 1 . . . . . . . . 5141 1 538 . 1 1 52 52 VAL HG11 H 1 1.17 0.03 . 1 . . . . . . . . 5141 1 539 . 1 1 52 52 VAL HG12 H 1 1.17 0.03 . 1 . . . . . . . . 5141 1 540 . 1 1 52 52 VAL HG13 H 1 1.17 0.03 . 1 . . . . . . . . 5141 1 541 . 1 1 52 52 VAL HG21 H 1 1.09 0.03 . 1 . . . . . . . . 5141 1 542 . 1 1 52 52 VAL HG22 H 1 1.09 0.03 . 1 . . . . . . . . 5141 1 543 . 1 1 52 52 VAL HG23 H 1 1.09 0.03 . 1 . . . . . . . . 5141 1 544 . 1 1 52 52 VAL CA C 13 65.42 0.50 . 1 . . . . . . . . 5141 1 545 . 1 1 52 52 VAL CB C 13 31.61 0.50 . 1 . . . . . . . . 5141 1 546 . 1 1 52 52 VAL CG1 C 13 22.79 0.50 . 1 . . . . . . . . 5141 1 547 . 1 1 52 52 VAL CG2 C 13 19.30 0.50 . 1 . . . . . . . . 5141 1 548 . 1 1 52 52 VAL N N 15 123.36 0.50 . 1 . . . . . . . . 5141 1 549 . 1 1 53 53 ALA H H 1 8.43 0.03 . 1 . . . . . . . . 5141 1 550 . 1 1 53 53 ALA HA H 1 4.20 0.03 . 1 . . . . . . . . 5141 1 551 . 1 1 53 53 ALA HB1 H 1 1.43 0.03 . 1 . . . . . . . . 5141 1 552 . 1 1 53 53 ALA HB2 H 1 1.43 0.03 . 1 . . . . . . . . 5141 1 553 . 1 1 53 53 ALA HB3 H 1 1.43 0.03 . 1 . . . . . . . . 5141 1 554 . 1 1 53 53 ALA CA C 13 53.74 0.50 . 1 . . . . . . . . 5141 1 555 . 1 1 53 53 ALA CB C 13 18.87 0.50 . 1 . . . . . . . . 5141 1 556 . 1 1 53 53 ALA N N 15 121.01 0.50 . 1 . . . . . . . . 5141 1 557 . 1 1 54 54 ASP H H 1 7.87 0.03 . 1 . . . . . . . . 5141 1 558 . 1 1 54 54 ASP HA H 1 4.70 0.03 . 1 . . . . . . . . 5141 1 559 . 1 1 54 54 ASP HB2 H 1 2.93 0.03 . 1 . . . . . . . . 5141 1 560 . 1 1 54 54 ASP HB3 H 1 2.93 0.03 . 1 . . . . . . . . 5141 1 561 . 1 1 54 54 ASP CA C 13 55.48 0.50 . 1 . . . . . . . . 5141 1 562 . 1 1 54 54 ASP CB C 13 41.89 0.50 . 1 . . . . . . . . 5141 1 563 . 1 1 54 54 ASP N N 15 115.47 0.50 . 1 . . . . . . . . 5141 1 564 . 1 1 55 55 GLN H H 1 6.96 0.03 . 1 . . . . . . . . 5141 1 565 . 1 1 55 55 GLN HA H 1 5.13 0.03 . 1 . . . . . . . . 5141 1 566 . 1 1 55 55 GLN HB2 H 1 2.41 0.03 . 1 . . . . . . . . 5141 1 567 . 1 1 55 55 GLN HB3 H 1 1.76 0.03 . 1 . . . . . . . . 5141 1 568 . 1 1 55 55 GLN HG2 H 1 2.33 0.03 . 1 . . . . . . . . 5141 1 569 . 1 1 55 55 GLN HG3 H 1 2.33 0.03 . 1 . . . . . . . . 5141 1 570 . 1 1 55 55 GLN CA C 13 53.42 0.50 . 1 . . . . . . . . 5141 1 571 . 1 1 55 55 GLN CB C 13 29.67 0.50 . 1 . . . . . . . . 5141 1 572 . 1 1 55 55 GLN CG C 13 33.23 0.50 . 1 . . . . . . . . 5141 1 573 . 1 1 55 55 GLN N N 15 114.97 0.50 . 1 . . . . . . . . 5141 1 574 . 1 1 56 56 PRO HA H 1 4.36 0.03 . 1 . . . . . . . . 5141 1 575 . 1 1 56 56 PRO HB2 H 1 2.06 0.03 . 1 . . . . . . . . 5141 1 576 . 1 1 56 56 PRO HB3 H 1 2.33 0.03 . 1 . . . . . . . . 5141 1 577 . 1 1 56 56 PRO HG2 H 1 2.06 0.03 . 1 . . . . . . . . 5141 1 578 . 1 1 56 56 PRO HG3 H 1 2.06 0.03 . 1 . . . . . . . . 5141 1 579 . 1 1 56 56 PRO HD2 H 1 3.38 0.03 . 1 . . . . . . . . 5141 1 580 . 1 1 56 56 PRO HD3 H 1 3.77 0.03 . 1 . . . . . . . . 5141 1 581 . 1 1 56 56 PRO CA C 13 65.15 0.50 . 1 . . . . . . . . 5141 1 582 . 1 1 56 56 PRO CB C 13 31.30 0.50 . 1 . . . . . . . . 5141 1 583 . 1 1 56 56 PRO CG C 13 27.51 0.50 . 1 . . . . . . . . 5141 1 584 . 1 1 56 56 PRO CD C 13 50.33 0.50 . 1 . . . . . . . . 5141 1 585 . 1 1 56 56 PRO N N 15 138.01 0.50 . 1 . . . . . . . . 5141 1 586 . 1 1 57 57 GLN H H 1 8.88 0.03 . 1 . . . . . . . . 5141 1 587 . 1 1 57 57 GLN HA H 1 4.24 0.03 . 1 . . . . . . . . 5141 1 588 . 1 1 57 57 GLN HB2 H 1 2.08 0.03 . 1 . . . . . . . . 5141 1 589 . 1 1 57 57 GLN HB3 H 1 2.08 0.03 . 1 . . . . . . . . 5141 1 590 . 1 1 57 57 GLN HG2 H 1 2.52 0.03 . 2 . . . . . . . . 5141 1 591 . 1 1 57 57 GLN HG3 H 1 2.38 0.03 . 2 . . . . . . . . 5141 1 592 . 1 1 57 57 GLN CA C 13 58.73 0.50 . 1 . . . . . . . . 5141 1 593 . 1 1 57 57 GLN CB C 13 27.27 0.50 . 1 . . . . . . . . 5141 1 594 . 1 1 57 57 GLN CG C 13 34.13 0.50 . 1 . . . . . . . . 5141 1 595 . 1 1 57 57 GLN N N 15 118.58 0.50 . 1 . . . . . . . . 5141 1 596 . 1 1 58 58 LEU H H 1 7.62 0.03 . 1 . . . . . . . . 5141 1 597 . 1 1 58 58 LEU HA H 1 4.13 0.03 . 1 . . . . . . . . 5141 1 598 . 1 1 58 58 LEU HB2 H 1 1.91 0.03 . 1 . . . . . . . . 5141 1 599 . 1 1 58 58 LEU HB3 H 1 1.79 0.03 . 1 . . . . . . . . 5141 1 600 . 1 1 58 58 LEU HG H 1 1.66 0.03 . 1 . . . . . . . . 5141 1 601 . 1 1 58 58 LEU HD11 H 1 0.90 0.03 . 2 . . . . . . . . 5141 1 602 . 1 1 58 58 LEU HD12 H 1 0.90 0.03 . 2 . . . . . . . . 5141 1 603 . 1 1 58 58 LEU HD13 H 1 0.90 0.03 . 2 . . . . . . . . 5141 1 604 . 1 1 58 58 LEU HD21 H 1 0.89 0.03 . 2 . . . . . . . . 5141 1 605 . 1 1 58 58 LEU HD22 H 1 0.89 0.03 . 2 . . . . . . . . 5141 1 606 . 1 1 58 58 LEU HD23 H 1 0.89 0.03 . 2 . . . . . . . . 5141 1 607 . 1 1 58 58 LEU CA C 13 57.18 0.50 . 1 . . . . . . . . 5141 1 608 . 1 1 58 58 LEU CB C 13 42.34 0.50 . 1 . . . . . . . . 5141 1 609 . 1 1 58 58 LEU CG C 13 27.03 0.50 . 1 . . . . . . . . 5141 1 610 . 1 1 58 58 LEU CD1 C 13 24.51 0.50 . 1 . . . . . . . . 5141 1 611 . 1 1 58 58 LEU CD2 C 13 23.74 0.50 . 1 . . . . . . . . 5141 1 612 . 1 1 58 58 LEU N N 15 121.95 0.50 . 1 . . . . . . . . 5141 1 613 . 1 1 59 59 VAL H H 1 7.23 0.03 . 1 . . . . . . . . 5141 1 614 . 1 1 59 59 VAL HA H 1 3.17 0.03 . 1 . . . . . . . . 5141 1 615 . 1 1 59 59 VAL HB H 1 2.24 0.03 . 1 . . . . . . . . 5141 1 616 . 1 1 59 59 VAL HG21 H 1 1.08 0.03 . 1 . . . . . . . . 5141 1 617 . 1 1 59 59 VAL HG22 H 1 1.08 0.03 . 1 . . . . . . . . 5141 1 618 . 1 1 59 59 VAL HG23 H 1 1.08 0.03 . 1 . . . . . . . . 5141 1 619 . 1 1 59 59 VAL HG11 H 1 0.88 0.03 . 1 . . . . . . . . 5141 1 620 . 1 1 59 59 VAL HG12 H 1 0.88 0.03 . 1 . . . . . . . . 5141 1 621 . 1 1 59 59 VAL HG13 H 1 0.88 0.03 . 1 . . . . . . . . 5141 1 622 . 1 1 59 59 VAL CA C 13 66.67 0.50 . 1 . . . . . . . . 5141 1 623 . 1 1 59 59 VAL CB C 13 31.93 0.50 . 1 . . . . . . . . 5141 1 624 . 1 1 59 59 VAL CG2 C 13 23.22 0.50 . 1 . . . . . . . . 5141 1 625 . 1 1 59 59 VAL CG1 C 13 21.25 0.50 . 1 . . . . . . . . 5141 1 626 . 1 1 59 59 VAL N N 15 118.78 0.50 . 1 . . . . . . . . 5141 1 627 . 1 1 60 60 GLU H H 1 7.48 0.03 . 1 . . . . . . . . 5141 1 628 . 1 1 60 60 GLU HA H 1 4.11 0.03 . 1 . . . . . . . . 5141 1 629 . 1 1 60 60 GLU HB2 H 1 2.05 0.03 . 1 . . . . . . . . 5141 1 630 . 1 1 60 60 GLU HB3 H 1 2.05 0.03 . 1 . . . . . . . . 5141 1 631 . 1 1 60 60 GLU HG2 H 1 2.27 0.03 . 1 . . . . . . . . 5141 1 632 . 1 1 60 60 GLU HG3 H 1 2.27 0.03 . 1 . . . . . . . . 5141 1 633 . 1 1 60 60 GLU CA C 13 58.73 0.50 . 1 . . . . . . . . 5141 1 634 . 1 1 60 60 GLU CB C 13 29.68 0.50 . 1 . . . . . . . . 5141 1 635 . 1 1 60 60 GLU CG C 13 36.17 0.50 . 1 . . . . . . . . 5141 1 636 . 1 1 60 60 GLU N N 15 117.07 0.50 . 1 . . . . . . . . 5141 1 637 . 1 1 61 61 TYR H H 1 8.05 0.03 . 1 . . . . . . . . 5141 1 638 . 1 1 61 61 TYR HA H 1 4.14 0.03 . 1 . . . . . . . . 5141 1 639 . 1 1 61 61 TYR HB2 H 1 3.18 0.03 . 1 . . . . . . . . 5141 1 640 . 1 1 61 61 TYR HB3 H 1 2.75 0.03 . 1 . . . . . . . . 5141 1 641 . 1 1 61 61 TYR HD1 H 1 6.62 0.03 . 1 . . . . . . . . 5141 1 642 . 1 1 61 61 TYR HD2 H 1 6.62 0.03 . 1 . . . . . . . . 5141 1 643 . 1 1 61 61 TYR HE1 H 1 6.71 0.03 . 1 . . . . . . . . 5141 1 644 . 1 1 61 61 TYR HE2 H 1 6.71 0.03 . 1 . . . . . . . . 5141 1 645 . 1 1 61 61 TYR CA C 13 61.16 0.50 . 1 . . . . . . . . 5141 1 646 . 1 1 61 61 TYR CB C 13 38.63 0.50 . 1 . . . . . . . . 5141 1 647 . 1 1 61 61 TYR CD1 C 13 133.16 0.50 . 1 . . . . . . . . 5141 1 648 . 1 1 61 61 TYR CD2 C 13 133.16 0.50 . 1 . . . . . . . . 5141 1 649 . 1 1 61 61 TYR CE1 C 13 118.09 0.50 . 1 . . . . . . . . 5141 1 650 . 1 1 61 61 TYR CE2 C 13 118.09 0.50 . 1 . . . . . . . . 5141 1 651 . 1 1 61 61 TYR N N 15 121.94 0.50 . 1 . . . . . . . . 5141 1 652 . 1 1 62 62 TYR H H 1 7.84 0.03 . 1 . . . . . . . . 5141 1 653 . 1 1 62 62 TYR HA H 1 4.32 0.03 . 1 . . . . . . . . 5141 1 654 . 1 1 62 62 TYR HB2 H 1 2.55 0.03 . 1 . . . . . . . . 5141 1 655 . 1 1 62 62 TYR HB3 H 1 3.07 0.03 . 1 . . . . . . . . 5141 1 656 . 1 1 62 62 TYR HD1 H 1 6.81 0.03 . 1 . . . . . . . . 5141 1 657 . 1 1 62 62 TYR HD2 H 1 6.81 0.03 . 1 . . . . . . . . 5141 1 658 . 1 1 62 62 TYR HE1 H 1 7.02 0.03 . 1 . . . . . . . . 5141 1 659 . 1 1 62 62 TYR HE2 H 1 7.02 0.03 . 1 . . . . . . . . 5141 1 660 . 1 1 62 62 TYR CA C 13 56.87 0.50 . 1 . . . . . . . . 5141 1 661 . 1 1 62 62 TYR CB C 13 37.82 0.50 . 1 . . . . . . . . 5141 1 662 . 1 1 62 62 TYR CD1 C 13 131.63 0.50 . 1 . . . . . . . . 5141 1 663 . 1 1 62 62 TYR CD2 C 13 131.63 0.50 . 1 . . . . . . . . 5141 1 664 . 1 1 62 62 TYR CE1 C 13 118.05 0.50 . 1 . . . . . . . . 5141 1 665 . 1 1 62 62 TYR CE2 C 13 118.05 0.50 . 1 . . . . . . . . 5141 1 666 . 1 1 62 62 TYR N N 15 114.46 0.50 . 1 . . . . . . . . 5141 1 667 . 1 1 63 63 ARG H H 1 7.78 0.03 . 1 . . . . . . . . 5141 1 668 . 1 1 63 63 ARG HA H 1 3.86 0.03 . 1 . . . . . . . . 5141 1 669 . 1 1 63 63 ARG HB2 H 1 2.01 0.03 . 1 . . . . . . . . 5141 1 670 . 1 1 63 63 ARG HB3 H 1 1.85 0.03 . 1 . . . . . . . . 5141 1 671 . 1 1 63 63 ARG HG2 H 1 1.55 0.03 . 1 . . . . . . . . 5141 1 672 . 1 1 63 63 ARG HG3 H 1 1.55 0.03 . 1 . . . . . . . . 5141 1 673 . 1 1 63 63 ARG HD2 H 1 3.19 0.03 . 1 . . . . . . . . 5141 1 674 . 1 1 63 63 ARG HD3 H 1 3.19 0.03 . 1 . . . . . . . . 5141 1 675 . 1 1 63 63 ARG CA C 13 56.52 0.50 . 1 . . . . . . . . 5141 1 676 . 1 1 63 63 ARG CB C 13 26.57 0.50 . 1 . . . . . . . . 5141 1 677 . 1 1 63 63 ARG CG C 13 27.01 0.50 . 1 . . . . . . . . 5141 1 678 . 1 1 63 63 ARG CD C 13 43.51 0.50 . 1 . . . . . . . . 5141 1 679 . 1 1 63 63 ARG N N 15 117.25 0.50 . 1 . . . . . . . . 5141 1 680 . 1 1 64 64 LEU H H 1 7.57 0.03 . 1 . . . . . . . . 5141 1 681 . 1 1 64 64 LEU HA H 1 4.24 0.03 . 1 . . . . . . . . 5141 1 682 . 1 1 64 64 LEU HB2 H 1 1.06 0.03 . 1 . . . . . . . . 5141 1 683 . 1 1 64 64 LEU HB3 H 1 1.61 0.03 . 1 . . . . . . . . 5141 1 684 . 1 1 64 64 LEU HG H 1 1.46 0.03 . 1 . . . . . . . . 5141 1 685 . 1 1 64 64 LEU HD11 H 1 0.14 0.03 . 2 . . . . . . . . 5141 1 686 . 1 1 64 64 LEU HD12 H 1 0.14 0.03 . 2 . . . . . . . . 5141 1 687 . 1 1 64 64 LEU HD13 H 1 0.14 0.03 . 2 . . . . . . . . 5141 1 688 . 1 1 64 64 LEU HD21 H 1 0.51 0.03 . 2 . . . . . . . . 5141 1 689 . 1 1 64 64 LEU HD22 H 1 0.51 0.03 . 2 . . . . . . . . 5141 1 690 . 1 1 64 64 LEU HD23 H 1 0.51 0.03 . 2 . . . . . . . . 5141 1 691 . 1 1 64 64 LEU CA C 13 54.63 0.50 . 1 . . . . . . . . 5141 1 692 . 1 1 64 64 LEU CB C 13 40.97 0.50 . 1 . . . . . . . . 5141 1 693 . 1 1 64 64 LEU CG C 13 25.08 0.50 . 1 . . . . . . . . 5141 1 694 . 1 1 64 64 LEU CD1 C 13 24.82 0.50 . 2 . . . . . . . . 5141 1 695 . 1 1 64 64 LEU CD2 C 13 22.71 0.50 . 2 . . . . . . . . 5141 1 696 . 1 1 64 64 LEU N N 15 116.66 0.50 . 1 . . . . . . . . 5141 1 697 . 1 1 65 65 VAL H H 1 8.34 0.03 . 1 . . . . . . . . 5141 1 698 . 1 1 65 65 VAL HA H 1 4.10 0.03 . 1 . . . . . . . . 5141 1 699 . 1 1 65 65 VAL HB H 1 2.18 0.03 . 1 . . . . . . . . 5141 1 700 . 1 1 65 65 VAL HG21 H 1 0.92 0.03 . 1 . . . . . . . . 5141 1 701 . 1 1 65 65 VAL HG22 H 1 0.92 0.03 . 1 . . . . . . . . 5141 1 702 . 1 1 65 65 VAL HG23 H 1 0.92 0.03 . 1 . . . . . . . . 5141 1 703 . 1 1 65 65 VAL HG11 H 1 0.92 0.03 . 1 . . . . . . . . 5141 1 704 . 1 1 65 65 VAL HG12 H 1 0.92 0.03 . 1 . . . . . . . . 5141 1 705 . 1 1 65 65 VAL HG13 H 1 0.92 0.03 . 1 . . . . . . . . 5141 1 706 . 1 1 65 65 VAL CA C 13 62.93 0.50 . 1 . . . . . . . . 5141 1 707 . 1 1 65 65 VAL CB C 13 32.92 0.50 . 1 . . . . . . . . 5141 1 708 . 1 1 65 65 VAL CG2 C 13 21.50 0.50 . 1 . . . . . . . . 5141 1 709 . 1 1 65 65 VAL CG1 C 13 20.10 0.50 . 1 . . . . . . . . 5141 1 710 . 1 1 65 65 VAL N N 15 119.87 0.50 . 1 . . . . . . . . 5141 1 711 . 1 1 66 66 VAL H H 1 7.64 0.03 . 1 . . . . . . . . 5141 1 712 . 1 1 66 66 VAL HA H 1 4.39 0.03 . 1 . . . . . . . . 5141 1 713 . 1 1 66 66 VAL HB H 1 1.98 0.03 . 1 . . . . . . . . 5141 1 714 . 1 1 66 66 VAL HG11 H 1 0.94 0.03 . 1 . . . . . . . . 5141 1 715 . 1 1 66 66 VAL HG12 H 1 0.94 0.03 . 1 . . . . . . . . 5141 1 716 . 1 1 66 66 VAL HG13 H 1 0.94 0.03 . 1 . . . . . . . . 5141 1 717 . 1 1 66 66 VAL CA C 13 61.31 0.50 . 1 . . . . . . . . 5141 1 718 . 1 1 66 66 VAL CB C 13 35.02 0.50 . 1 . . . . . . . . 5141 1 719 . 1 1 66 66 VAL CG1 C 13 21.20 0.50 . 1 . . . . . . . . 5141 1 720 . 1 1 66 66 VAL N N 15 119.65 0.50 . 1 . . . . . . . . 5141 1 721 . 1 1 67 67 THR H H 1 7.82 0.03 . 1 . . . . . . . . 5141 1 722 . 1 1 67 67 THR HA H 1 4.38 0.03 . 1 . . . . . . . . 5141 1 723 . 1 1 67 67 THR HB H 1 4.03 0.03 . 1 . . . . . . . . 5141 1 724 . 1 1 67 67 THR HG21 H 1 1.03 0.03 . 1 . . . . . . . . 5141 1 725 . 1 1 67 67 THR HG22 H 1 1.03 0.03 . 1 . . . . . . . . 5141 1 726 . 1 1 67 67 THR HG23 H 1 1.03 0.03 . 1 . . . . . . . . 5141 1 727 . 1 1 67 67 THR CA C 13 58.67 0.50 . 1 . . . . . . . . 5141 1 728 . 1 1 67 67 THR CB C 13 69.61 0.50 . 1 . . . . . . . . 5141 1 729 . 1 1 67 67 THR CG2 C 13 22.39 0.50 . 1 . . . . . . . . 5141 1 730 . 1 1 67 67 THR N N 15 113.75 0.50 . 1 . . . . . . . . 5141 1 731 . 1 1 68 68 PRO HA H 1 5.11 0.03 . 1 . . . . . . . . 5141 1 732 . 1 1 68 68 PRO HB2 H 1 1.96 0.03 . 1 . . . . . . . . 5141 1 733 . 1 1 68 68 PRO HB3 H 1 2.61 0.03 . 1 . . . . . . . . 5141 1 734 . 1 1 68 68 PRO HG2 H 1 1.93 0.03 . 1 . . . . . . . . 5141 1 735 . 1 1 68 68 PRO HG3 H 1 1.93 0.03 . 1 . . . . . . . . 5141 1 736 . 1 1 68 68 PRO HD2 H 1 3.54 0.03 . 1 . . . . . . . . 5141 1 737 . 1 1 68 68 PRO HD3 H 1 3.54 0.03 . 1 . . . . . . . . 5141 1 738 . 1 1 68 68 PRO CA C 13 62.14 0.50 . 1 . . . . . . . . 5141 1 739 . 1 1 68 68 PRO CB C 13 35.67 0.50 . 1 . . . . . . . . 5141 1 740 . 1 1 68 68 PRO CG C 13 25.14 0.50 . 1 . . . . . . . . 5141 1 741 . 1 1 68 68 PRO CD C 13 50.69 0.50 . 1 . . . . . . . . 5141 1 742 . 1 1 68 68 PRO N N 15 132.89 0.50 . 1 . . . . . . . . 5141 1 743 . 1 1 69 69 ALA H H 1 8.73 0.03 . 1 . . . . . . . . 5141 1 744 . 1 1 69 69 ALA HA H 1 5.14 0.03 . 1 . . . . . . . . 5141 1 745 . 1 1 69 69 ALA HB1 H 1 1.49 0.03 . 1 . . . . . . . . 5141 1 746 . 1 1 69 69 ALA HB2 H 1 1.49 0.03 . 1 . . . . . . . . 5141 1 747 . 1 1 69 69 ALA HB3 H 1 1.49 0.03 . 1 . . . . . . . . 5141 1 748 . 1 1 69 69 ALA CA C 13 51.71 0.50 . 1 . . . . . . . . 5141 1 749 . 1 1 69 69 ALA CB C 13 23.45 0.50 . 1 . . . . . . . . 5141 1 750 . 1 1 69 69 ALA N N 15 121.45 0.50 . 1 . . . . . . . . 5141 1 751 . 1 1 70 70 LEU H H 1 9.71 0.03 . 1 . . . . . . . . 5141 1 752 . 1 1 70 70 LEU HA H 1 5.47 0.03 . 1 . . . . . . . . 5141 1 753 . 1 1 70 70 LEU HB2 H 1 1.56 0.03 . 1 . . . . . . . . 5141 1 754 . 1 1 70 70 LEU HB3 H 1 2.06 0.03 . 1 . . . . . . . . 5141 1 755 . 1 1 70 70 LEU HG H 1 1.69 0.03 . 1 . . . . . . . . 5141 1 756 . 1 1 70 70 LEU HD11 H 1 1.11 0.03 . 1 . . . . . . . . 5141 1 757 . 1 1 70 70 LEU HD12 H 1 1.11 0.03 . 1 . . . . . . . . 5141 1 758 . 1 1 70 70 LEU HD13 H 1 1.11 0.03 . 1 . . . . . . . . 5141 1 759 . 1 1 70 70 LEU HD21 H 1 1.11 0.03 . 1 . . . . . . . . 5141 1 760 . 1 1 70 70 LEU HD22 H 1 1.11 0.03 . 1 . . . . . . . . 5141 1 761 . 1 1 70 70 LEU HD23 H 1 1.11 0.03 . 1 . . . . . . . . 5141 1 762 . 1 1 70 70 LEU CA C 13 53.42 0.50 . 1 . . . . . . . . 5141 1 763 . 1 1 70 70 LEU CB C 13 46.26 0.50 . 1 . . . . . . . . 5141 1 764 . 1 1 70 70 LEU CG C 13 27.60 0.50 . 1 . . . . . . . . 5141 1 765 . 1 1 70 70 LEU CD1 C 13 26.38 0.50 . 1 . . . . . . . . 5141 1 766 . 1 1 70 70 LEU CD2 C 13 26.38 0.50 . 1 . . . . . . . . 5141 1 767 . 1 1 70 70 LEU N N 15 125.54 0.50 . 1 . . . . . . . . 5141 1 768 . 1 1 71 71 VAL H H 1 9.94 0.03 . 1 . . . . . . . . 5141 1 769 . 1 1 71 71 VAL HA H 1 4.77 0.03 . 1 . . . . . . . . 5141 1 770 . 1 1 71 71 VAL HB H 1 2.12 0.03 . 1 . . . . . . . . 5141 1 771 . 1 1 71 71 VAL HG11 H 1 0.84 0.03 . 1 . . . . . . . . 5141 1 772 . 1 1 71 71 VAL HG12 H 1 0.84 0.03 . 1 . . . . . . . . 5141 1 773 . 1 1 71 71 VAL HG13 H 1 0.84 0.03 . 1 . . . . . . . . 5141 1 774 . 1 1 71 71 VAL HG21 H 1 0.38 0.03 . 1 . . . . . . . . 5141 1 775 . 1 1 71 71 VAL HG22 H 1 0.38 0.03 . 1 . . . . . . . . 5141 1 776 . 1 1 71 71 VAL HG23 H 1 0.38 0.03 . 1 . . . . . . . . 5141 1 777 . 1 1 71 71 VAL CA C 13 60.91 0.50 . 1 . . . . . . . . 5141 1 778 . 1 1 71 71 VAL CB C 13 34.22 0.50 . 1 . . . . . . . . 5141 1 779 . 1 1 71 71 VAL CG1 C 13 21.66 0.50 . 1 . . . . . . . . 5141 1 780 . 1 1 71 71 VAL CG2 C 13 20.90 0.50 . 1 . . . . . . . . 5141 1 781 . 1 1 71 71 VAL N N 15 127.50 0.50 . 1 . . . . . . . . 5141 1 782 . 1 1 72 72 LYS H H 1 9.12 0.03 . 1 . . . . . . . . 5141 1 783 . 1 1 72 72 LYS HA H 1 4.60 0.03 . 1 . . . . . . . . 5141 1 784 . 1 1 72 72 LYS HB2 H 1 1.08 0.03 . 2 . . . . . . . . 5141 1 785 . 1 1 72 72 LYS HB3 H 1 0.61 0.03 . 2 . . . . . . . . 5141 1 786 . 1 1 72 72 LYS CA C 13 55.52 0.50 . 1 . . . . . . . . 5141 1 787 . 1 1 72 72 LYS CB C 13 31.48 0.50 . 1 . . . . . . . . 5141 1 788 . 1 1 72 72 LYS N N 15 130.27 0.50 . 1 . . . . . . . . 5141 1 789 . 1 1 73 73 ILE H H 1 8.52 0.03 . 1 . . . . . . . . 5141 1 790 . 1 1 73 73 ILE HA H 1 4.00 0.03 . 1 . . . . . . . . 5141 1 791 . 1 1 73 73 ILE HB H 1 1.89 0.03 . 1 . . . . . . . . 5141 1 792 . 1 1 73 73 ILE HG12 H 1 1.33 0.03 . 2 . . . . . . . . 5141 1 793 . 1 1 73 73 ILE HG13 H 1 1.05 0.03 . 2 . . . . . . . . 5141 1 794 . 1 1 73 73 ILE HD11 H 1 0.81 0.03 . 1 . . . . . . . . 5141 1 795 . 1 1 73 73 ILE HD12 H 1 0.81 0.03 . 1 . . . . . . . . 5141 1 796 . 1 1 73 73 ILE HD13 H 1 0.81 0.03 . 1 . . . . . . . . 5141 1 797 . 1 1 73 73 ILE HG21 H 1 0.87 0.03 . 1 . . . . . . . . 5141 1 798 . 1 1 73 73 ILE HG22 H 1 0.87 0.03 . 1 . . . . . . . . 5141 1 799 . 1 1 73 73 ILE HG23 H 1 0.87 0.03 . 1 . . . . . . . . 5141 1 800 . 1 1 73 73 ILE CA C 13 61.96 0.50 . 1 . . . . . . . . 5141 1 801 . 1 1 73 73 ILE CB C 13 38.68 0.50 . 1 . . . . . . . . 5141 1 802 . 1 1 73 73 ILE CG1 C 13 28.02 0.50 . 1 . . . . . . . . 5141 1 803 . 1 1 73 73 ILE CG2 C 13 18.16 0.50 . 1 . . . . . . . . 5141 1 804 . 1 1 73 73 ILE CD1 C 13 13.22 0.50 . 1 . . . . . . . . 5141 1 805 . 1 1 73 73 ILE N N 15 124.99 0.50 . 1 . . . . . . . . 5141 1 806 . 1 1 74 74 GLY H H 1 7.40 0.03 . 1 . . . . . . . . 5141 1 807 . 1 1 74 74 GLY HA2 H 1 3.53 0.03 . 2 . . . . . . . . 5141 1 808 . 1 1 74 74 GLY HA3 H 1 4.01 0.03 . 2 . . . . . . . . 5141 1 809 . 1 1 74 74 GLY CA C 13 44.70 0.50 . 1 . . . . . . . . 5141 1 810 . 1 1 74 74 GLY N N 15 106.80 0.50 . 1 . . . . . . . . 5141 1 811 . 1 1 75 75 PRO HA H 1 4.54 0.03 . 1 . . . . . . . . 5141 1 812 . 1 1 75 75 PRO HB2 H 1 2.06 0.03 . 1 . . . . . . . . 5141 1 813 . 1 1 75 75 PRO HB3 H 1 2.29 0.03 . 1 . . . . . . . . 5141 1 814 . 1 1 75 75 PRO HG2 H 1 1.77 0.03 . 2 . . . . . . . . 5141 1 815 . 1 1 75 75 PRO HG3 H 1 1.79 0.03 . 2 . . . . . . . . 5141 1 816 . 1 1 75 75 PRO HD2 H 1 3.42 0.03 . 1 . . . . . . . . 5141 1 817 . 1 1 75 75 PRO HD3 H 1 3.82 0.03 . 1 . . . . . . . . 5141 1 818 . 1 1 75 75 PRO CA C 13 61.87 0.50 . 1 . . . . . . . . 5141 1 819 . 1 1 75 75 PRO CB C 13 34.67 0.50 . 1 . . . . . . . . 5141 1 820 . 1 1 75 75 PRO CG C 13 24.82 0.50 . 1 . . . . . . . . 5141 1 821 . 1 1 75 75 PRO CD C 13 49.92 0.50 . 1 . . . . . . . . 5141 1 822 . 1 1 76 76 GLY H H 1 8.63 0.03 . 1 . . . . . . . . 5141 1 823 . 1 1 76 76 GLY HA2 H 1 3.70 0.03 . 2 . . . . . . . . 5141 1 824 . 1 1 76 76 GLY HA3 H 1 4.08 0.03 . 2 . . . . . . . . 5141 1 825 . 1 1 76 76 GLY CA C 13 45.16 0.50 . 1 . . . . . . . . 5141 1 826 . 1 1 76 76 GLY N N 15 108.07 0.50 . 1 . . . . . . . . 5141 1 827 . 1 1 77 77 SER H H 1 8.43 0.03 . 1 . . . . . . . . 5141 1 828 . 1 1 77 77 SER HA H 1 4.24 0.03 . 1 . . . . . . . . 5141 1 829 . 1 1 77 77 SER HB2 H 1 3.89 0.03 . 2 . . . . . . . . 5141 1 830 . 1 1 77 77 SER HB3 H 1 3.79 0.03 . 2 . . . . . . . . 5141 1 831 . 1 1 77 77 SER CA C 13 58.60 0.50 . 1 . . . . . . . . 5141 1 832 . 1 1 77 77 SER CB C 13 64.06 0.50 . 1 . . . . . . . . 5141 1 833 . 1 1 77 77 SER N N 15 116.61 0.50 . 1 . . . . . . . . 5141 1 834 . 1 1 78 78 ARG H H 1 8.46 0.03 . 1 . . . . . . . . 5141 1 835 . 1 1 78 78 ARG HA H 1 4.73 0.03 . 1 . . . . . . . . 5141 1 836 . 1 1 78 78 ARG HB2 H 1 1.90 0.03 . 2 . . . . . . . . 5141 1 837 . 1 1 78 78 ARG HB3 H 1 1.66 0.03 . 2 . . . . . . . . 5141 1 838 . 1 1 78 78 ARG HG2 H 1 1.37 0.03 . 2 . . . . . . . . 5141 1 839 . 1 1 78 78 ARG HG3 H 1 1.64 0.03 . 2 . . . . . . . . 5141 1 840 . 1 1 78 78 ARG HD2 H 1 2.98 0.03 . 2 . . . . . . . . 5141 1 841 . 1 1 78 78 ARG HD3 H 1 3.13 0.03 . 2 . . . . . . . . 5141 1 842 . 1 1 78 78 ARG CA C 13 56.15 0.50 . 1 . . . . . . . . 5141 1 843 . 1 1 78 78 ARG CB C 13 30.96 0.50 . 1 . . . . . . . . 5141 1 844 . 1 1 78 78 ARG CD C 13 44.08 0.50 . 1 . . . . . . . . 5141 1 845 . 1 1 78 78 ARG CG C 13 27.22 0.50 . 1 . . . . . . . . 5141 1 846 . 1 1 78 78 ARG N N 15 124.09 0.50 . 1 . . . . . . . . 5141 1 847 . 1 1 79 79 GLN H H 1 8.19 0.03 . 1 . . . . . . . . 5141 1 848 . 1 1 79 79 GLN HA H 1 4.73 0.03 . 1 . . . . . . . . 5141 1 849 . 1 1 79 79 GLN HB2 H 1 2.06 0.03 . 2 . . . . . . . . 5141 1 850 . 1 1 79 79 GLN HB3 H 1 1.76 0.03 . 2 . . . . . . . . 5141 1 851 . 1 1 79 79 GLN HG2 H 1 2.37 0.03 . 1 . . . . . . . . 5141 1 852 . 1 1 79 79 GLN HG3 H 1 2.37 0.03 . 1 . . . . . . . . 5141 1 853 . 1 1 79 79 GLN CA C 13 54.96 0.50 . 1 . . . . . . . . 5141 1 854 . 1 1 79 79 GLN CB C 13 33.48 0.50 . 1 . . . . . . . . 5141 1 855 . 1 1 79 79 GLN CG C 13 34.05 0.50 . 1 . . . . . . . . 5141 1 856 . 1 1 79 79 GLN N N 15 124.81 0.50 . 1 . . . . . . . . 5141 1 857 . 1 1 80 80 VAL H H 1 8.76 0.03 . 1 . . . . . . . . 5141 1 858 . 1 1 80 80 VAL HA H 1 4.84 0.03 . 1 . . . . . . . . 5141 1 859 . 1 1 80 80 VAL HB H 1 1.99 0.03 . 1 . . . . . . . . 5141 1 860 . 1 1 80 80 VAL HG11 H 1 0.85 0.03 . 1 . . . . . . . . 5141 1 861 . 1 1 80 80 VAL HG12 H 1 0.85 0.03 . 1 . . . . . . . . 5141 1 862 . 1 1 80 80 VAL HG13 H 1 0.85 0.03 . 1 . . . . . . . . 5141 1 863 . 1 1 80 80 VAL CA C 13 61.76 0.50 . 1 . . . . . . . . 5141 1 864 . 1 1 80 80 VAL CB C 13 33.76 0.50 . 1 . . . . . . . . 5141 1 865 . 1 1 80 80 VAL CG1 C 13 21.21 0.50 . 1 . . . . . . . . 5141 1 866 . 1 1 80 80 VAL N N 15 123.52 0.50 . 1 . . . . . . . . 5141 1 867 . 1 1 81 81 LEU H H 1 9.68 0.03 . 1 . . . . . . . . 5141 1 868 . 1 1 81 81 LEU HA H 1 5.01 0.03 . 1 . . . . . . . . 5141 1 869 . 1 1 81 81 LEU HB2 H 1 1.94 0.03 . 1 . . . . . . . . 5141 1 870 . 1 1 81 81 LEU HB3 H 1 1.54 0.03 . 1 . . . . . . . . 5141 1 871 . 1 1 81 81 LEU HG H 1 1.94 0.03 . 1 . . . . . . . . 5141 1 872 . 1 1 81 81 LEU HD11 H 1 0.93 0.03 . 2 . . . . . . . . 5141 1 873 . 1 1 81 81 LEU HD12 H 1 0.93 0.03 . 2 . . . . . . . . 5141 1 874 . 1 1 81 81 LEU HD13 H 1 0.93 0.03 . 2 . . . . . . . . 5141 1 875 . 1 1 81 81 LEU HD21 H 1 0.99 0.03 . 2 . . . . . . . . 5141 1 876 . 1 1 81 81 LEU HD22 H 1 0.99 0.03 . 2 . . . . . . . . 5141 1 877 . 1 1 81 81 LEU HD23 H 1 0.99 0.03 . 2 . . . . . . . . 5141 1 878 . 1 1 81 81 LEU CA C 13 53.65 0.50 . 1 . . . . . . . . 5141 1 879 . 1 1 81 81 LEU CB C 13 43.54 0.50 . 1 . . . . . . . . 5141 1 880 . 1 1 81 81 LEU CG C 13 27.89 0.50 . 1 . . . . . . . . 5141 1 881 . 1 1 81 81 LEU CD1 C 13 25.44 0.50 . 1 . . . . . . . . 5141 1 882 . 1 1 81 81 LEU CD2 C 13 23.99 0.50 . 1 . . . . . . . . 5141 1 883 . 1 1 81 81 LEU N N 15 129.73 0.50 . 1 . . . . . . . . 5141 1 884 . 1 1 82 82 SER H H 1 8.96 0.03 . 1 . . . . . . . . 5141 1 885 . 1 1 82 82 SER HA H 1 5.05 0.03 . 1 . . . . . . . . 5141 1 886 . 1 1 82 82 SER HB2 H 1 3.88 0.03 . 2 . . . . . . . . 5141 1 887 . 1 1 82 82 SER HB3 H 1 3.79 0.03 . 2 . . . . . . . . 5141 1 888 . 1 1 82 82 SER CA C 13 58.22 0.50 . 1 . . . . . . . . 5141 1 889 . 1 1 82 82 SER CB C 13 66.29 0.50 . 1 . . . . . . . . 5141 1 890 . 1 1 82 82 SER N N 15 116.43 0.50 . 1 . . . . . . . . 5141 1 891 . 1 1 83 83 GLY H H 1 8.47 0.03 . 1 . . . . . . . . 5141 1 892 . 1 1 83 83 GLY HA2 H 1 3.69 0.03 . 1 . . . . . . . . 5141 1 893 . 1 1 83 83 GLY HA3 H 1 4.67 0.03 . 1 . . . . . . . . 5141 1 894 . 1 1 83 83 GLY CA C 13 44.00 0.50 . 1 . . . . . . . . 5141 1 895 . 1 1 83 83 GLY N N 15 107.24 0.50 . 1 . . . . . . . . 5141 1 896 . 1 1 84 84 ILE H H 1 8.47 0.03 . 1 . . . . . . . . 5141 1 897 . 1 1 84 84 ILE HA H 1 3.98 0.03 . 1 . . . . . . . . 5141 1 898 . 1 1 84 84 ILE HB H 1 2.01 0.03 . 1 . . . . . . . . 5141 1 899 . 1 1 84 84 ILE HG21 H 1 1.03 0.03 . 1 . . . . . . . . 5141 1 900 . 1 1 84 84 ILE HG22 H 1 1.03 0.03 . 1 . . . . . . . . 5141 1 901 . 1 1 84 84 ILE HG23 H 1 1.03 0.03 . 1 . . . . . . . . 5141 1 902 . 1 1 84 84 ILE HG12 H 1 1.37 0.03 . 2 . . . . . . . . 5141 1 903 . 1 1 84 84 ILE HG13 H 1 1.53 0.03 . 2 . . . . . . . . 5141 1 904 . 1 1 84 84 ILE HD11 H 1 0.99 0.03 . 1 . . . . . . . . 5141 1 905 . 1 1 84 84 ILE HD12 H 1 0.99 0.03 . 1 . . . . . . . . 5141 1 906 . 1 1 84 84 ILE HD13 H 1 0.99 0.03 . 1 . . . . . . . . 5141 1 907 . 1 1 84 84 ILE CA C 13 63.73 0.50 . 1 . . . . . . . . 5141 1 908 . 1 1 84 84 ILE CB C 13 38.37 0.50 . 1 . . . . . . . . 5141 1 909 . 1 1 84 84 ILE CG1 C 13 27.73 0.50 . 1 . . . . . . . . 5141 1 910 . 1 1 84 84 ILE CG2 C 13 18.00 0.50 . 1 . . . . . . . . 5141 1 911 . 1 1 84 84 ILE CD1 C 13 13.23 0.50 . 1 . . . . . . . . 5141 1 912 . 1 1 84 84 ILE N N 15 116.57 0.50 . 1 . . . . . . . . 5141 1 913 . 1 1 85 85 ASP H H 1 8.37 0.03 . 1 . . . . . . . . 5141 1 914 . 1 1 85 85 ASP HA H 1 4.95 0.03 . 1 . . . . . . . . 5141 1 915 . 1 1 85 85 ASP HB2 H 1 3.06 0.03 . 1 . . . . . . . . 5141 1 916 . 1 1 85 85 ASP HB3 H 1 2.65 0.03 . 1 . . . . . . . . 5141 1 917 . 1 1 85 85 ASP CA C 13 53.05 0.50 . 1 . . . . . . . . 5141 1 918 . 1 1 85 85 ASP CB C 13 39.83 0.50 . 1 . . . . . . . . 5141 1 919 . 1 1 85 85 ASP N N 15 119.57 0.50 . 1 . . . . . . . . 5141 1 920 . 1 1 86 86 LEU H H 1 7.54 0.03 . 1 . . . . . . . . 5141 1 921 . 1 1 86 86 LEU HA H 1 3.81 0.03 . 1 . . . . . . . . 5141 1 922 . 1 1 86 86 LEU HB2 H 1 1.70 0.03 . 1 . . . . . . . . 5141 1 923 . 1 1 86 86 LEU HB3 H 1 1.89 0.03 . 1 . . . . . . . . 5141 1 924 . 1 1 86 86 LEU HG H 1 1.60 0.03 . 1 . . . . . . . . 5141 1 925 . 1 1 86 86 LEU HD11 H 1 0.78 0.03 . 2 . . . . . . . . 5141 1 926 . 1 1 86 86 LEU HD12 H 1 0.78 0.03 . 2 . . . . . . . . 5141 1 927 . 1 1 86 86 LEU HD13 H 1 0.78 0.03 . 2 . . . . . . . . 5141 1 928 . 1 1 86 86 LEU CA C 13 59.75 0.50 . 1 . . . . . . . . 5141 1 929 . 1 1 86 86 LEU CB C 13 41.95 0.50 . 1 . . . . . . . . 5141 1 930 . 1 1 86 86 LEU CG C 13 27.46 0.50 . 1 . . . . . . . . 5141 1 931 . 1 1 86 86 LEU CD1 C 13 26.00 0.50 . 2 . . . . . . . . 5141 1 932 . 1 1 86 86 LEU N N 15 121.11 0.50 . 1 . . . . . . . . 5141 1 933 . 1 1 87 87 THR H H 1 8.55 0.03 . 1 . . . . . . . . 5141 1 934 . 1 1 87 87 THR HA H 1 3.67 0.03 . 1 . . . . . . . . 5141 1 935 . 1 1 87 87 THR HB H 1 4.18 0.03 . 1 . . . . . . . . 5141 1 936 . 1 1 87 87 THR HG21 H 1 1.21 0.03 . 1 . . . . . . . . 5141 1 937 . 1 1 87 87 THR HG22 H 1 1.21 0.03 . 1 . . . . . . . . 5141 1 938 . 1 1 87 87 THR HG23 H 1 1.21 0.03 . 1 . . . . . . . . 5141 1 939 . 1 1 87 87 THR CA C 13 66.09 0.50 . 1 . . . . . . . . 5141 1 940 . 1 1 87 87 THR CB C 13 66.73 0.50 . 1 . . . . . . . . 5141 1 941 . 1 1 87 87 THR CG2 C 13 23.66 0.50 . 1 . . . . . . . . 5141 1 942 . 1 1 87 87 THR N N 15 109.48 0.50 . 1 . . . . . . . . 5141 1 943 . 1 1 88 88 ASP H H 1 7.44 0.03 . 1 . . . . . . . . 5141 1 944 . 1 1 88 88 ASP HA H 1 4.42 0.03 . 1 . . . . . . . . 5141 1 945 . 1 1 88 88 ASP HB2 H 1 2.71 0.03 . 2 . . . . . . . . 5141 1 946 . 1 1 88 88 ASP HB3 H 1 2.81 0.03 . 2 . . . . . . . . 5141 1 947 . 1 1 88 88 ASP CA C 13 57.24 0.50 . 1 . . . . . . . . 5141 1 948 . 1 1 88 88 ASP CB C 13 40.62 0.50 . 1 . . . . . . . . 5141 1 949 . 1 1 88 88 ASP N N 15 123.98 0.50 . 1 . . . . . . . . 5141 1 950 . 1 1 89 89 GLN H H 1 7.84 0.03 . 1 . . . . . . . . 5141 1 951 . 1 1 89 89 GLN HA H 1 4.13 0.03 . 1 . . . . . . . . 5141 1 952 . 1 1 89 89 GLN HB2 H 1 2.20 0.03 . 2 . . . . . . . . 5141 1 953 . 1 1 89 89 GLN HB3 H 1 2.08 0.03 . 2 . . . . . . . . 5141 1 954 . 1 1 89 89 GLN HG2 H 1 2.35 0.03 . 1 . . . . . . . . 5141 1 955 . 1 1 89 89 GLN HG3 H 1 2.35 0.03 . 1 . . . . . . . . 5141 1 956 . 1 1 89 89 GLN CA C 13 58.76 0.50 . 1 . . . . . . . . 5141 1 957 . 1 1 89 89 GLN CB C 13 30.02 0.50 . 1 . . . . . . . . 5141 1 958 . 1 1 89 89 GLN CG C 13 34.42 0.50 . 1 . . . . . . . . 5141 1 959 . 1 1 89 89 GLN N N 15 118.32 0.50 . 1 . . . . . . . . 5141 1 960 . 1 1 90 90 LEU H H 1 8.54 0.03 . 1 . . . . . . . . 5141 1 961 . 1 1 90 90 LEU HA H 1 3.55 0.03 . 1 . . . . . . . . 5141 1 962 . 1 1 90 90 LEU HB2 H 1 1.31 0.03 . 1 . . . . . . . . 5141 1 963 . 1 1 90 90 LEU HB3 H 1 2.02 0.03 . 1 . . . . . . . . 5141 1 964 . 1 1 90 90 LEU HD11 H 1 0.91 0.03 . 1 . . . . . . . . 5141 1 965 . 1 1 90 90 LEU HD12 H 1 0.91 0.03 . 1 . . . . . . . . 5141 1 966 . 1 1 90 90 LEU HD13 H 1 0.91 0.03 . 1 . . . . . . . . 5141 1 967 . 1 1 90 90 LEU CA C 13 57.98 0.50 . 1 . . . . . . . . 5141 1 968 . 1 1 90 90 LEU CB C 13 41.55 0.50 . 1 . . . . . . . . 5141 1 969 . 1 1 90 90 LEU CG C 13 27.53 0.50 . 1 . . . . . . . . 5141 1 970 . 1 1 90 90 LEU CD1 C 13 24.19 0.50 . 1 . . . . . . . . 5141 1 971 . 1 1 90 90 LEU N N 15 120.19 0.50 . 1 . . . . . . . . 5141 1 972 . 1 1 91 91 ALA H H 1 7.86 0.03 . 1 . . . . . . . . 5141 1 973 . 1 1 91 91 ALA HA H 1 3.84 0.03 . 1 . . . . . . . . 5141 1 974 . 1 1 91 91 ALA HB1 H 1 1.48 0.03 . 1 . . . . . . . . 5141 1 975 . 1 1 91 91 ALA HB2 H 1 1.48 0.03 . 1 . . . . . . . . 5141 1 976 . 1 1 91 91 ALA HB3 H 1 1.48 0.03 . 1 . . . . . . . . 5141 1 977 . 1 1 91 91 ALA CA C 13 55.13 0.50 . 1 . . . . . . . . 5141 1 978 . 1 1 91 91 ALA CB C 13 17.84 0.50 . 1 . . . . . . . . 5141 1 979 . 1 1 91 91 ALA N N 15 119.04 0.50 . 1 . . . . . . . . 5141 1 980 . 1 1 92 92 ASN H H 1 7.34 0.03 . 1 . . . . . . . . 5141 1 981 . 1 1 92 92 ASN HA H 1 4.50 0.03 . 1 . . . . . . . . 5141 1 982 . 1 1 92 92 ASN HB2 H 1 2.85 0.03 . 1 . . . . . . . . 5141 1 983 . 1 1 92 92 ASN HB3 H 1 2.76 0.03 . 1 . . . . . . . . 5141 1 984 . 1 1 92 92 ASN CA C 13 55.18 0.50 . 1 . . . . . . . . 5141 1 985 . 1 1 92 92 ASN CB C 13 39.61 0.50 . 1 . . . . . . . . 5141 1 986 . 1 1 92 92 ASN N N 15 112.56 0.50 . 1 . . . . . . . . 5141 1 987 . 1 1 93 93 GLN H H 1 7.90 0.03 . 1 . . . . . . . . 5141 1 988 . 1 1 93 93 GLN HA H 1 3.92 0.03 . 1 . . . . . . . . 5141 1 989 . 1 1 93 93 GLN HB2 H 1 1.16 0.03 . 1 . . . . . . . . 5141 1 990 . 1 1 93 93 GLN HB3 H 1 1.09 0.03 . 1 . . . . . . . . 5141 1 991 . 1 1 93 93 GLN HG2 H 1 1.95 0.03 . 2 . . . . . . . . 5141 1 992 . 1 1 93 93 GLN HG3 H 1 2.20 0.03 . 2 . . . . . . . . 5141 1 993 . 1 1 93 93 GLN HE21 H 1 6.88 0.03 . 2 . . . . . . . . 5141 1 994 . 1 1 93 93 GLN CA C 13 56.83 0.50 . 1 . . . . . . . . 5141 1 995 . 1 1 93 93 GLN CB C 13 29.28 0.50 . 1 . . . . . . . . 5141 1 996 . 1 1 93 93 GLN CG C 13 34.18 0.50 . 1 . . . . . . . . 5141 1 997 . 1 1 93 93 GLN N N 15 117.66 0.50 . 1 . . . . . . . . 5141 1 998 . 1 1 93 93 GLN NE2 N 15 112.47 0.50 . 1 . . . . . . . . 5141 1 999 . 1 1 94 94 LEU H H 1 8.06 0.03 . 1 . . . . . . . . 5141 1 1000 . 1 1 94 94 LEU HA H 1 3.72 0.03 . 1 . . . . . . . . 5141 1 1001 . 1 1 94 94 LEU HB2 H 1 1.44 0.03 . 1 . . . . . . . . 5141 1 1002 . 1 1 94 94 LEU HB3 H 1 1.67 0.03 . 1 . . . . . . . . 5141 1 1003 . 1 1 94 94 LEU HG H 1 1.55 0.03 . 1 . . . . . . . . 5141 1 1004 . 1 1 94 94 LEU CA C 13 59.68 0.50 . 1 . . . . . . . . 5141 1 1005 . 1 1 94 94 LEU CB C 13 39.72 0.50 . 1 . . . . . . . . 5141 1 1006 . 1 1 94 94 LEU N N 15 119.56 0.50 . 1 . . . . . . . . 5141 1 1007 . 1 1 95 95 PRO HA H 1 4.19 0.03 . 1 . . . . . . . . 5141 1 1008 . 1 1 95 95 PRO HB2 H 1 1.76 0.03 . 1 . . . . . . . . 5141 1 1009 . 1 1 95 95 PRO HB3 H 1 2.32 0.03 . 1 . . . . . . . . 5141 1 1010 . 1 1 95 95 PRO HG2 H 1 2.06 0.03 . 1 . . . . . . . . 5141 1 1011 . 1 1 95 95 PRO HG3 H 1 1.88 0.03 . 1 . . . . . . . . 5141 1 1012 . 1 1 95 95 PRO HD2 H 1 3.29 0.03 . 1 . . . . . . . . 5141 1 1013 . 1 1 95 95 PRO HD3 H 1 3.50 0.03 . 1 . . . . . . . . 5141 1 1014 . 1 1 95 95 PRO CA C 13 66.28 0.50 . 1 . . . . . . . . 5141 1 1015 . 1 1 95 95 PRO CB C 13 30.93 0.50 . 1 . . . . . . . . 5141 1 1016 . 1 1 95 95 PRO CG C 13 28.70 0.50 . 1 . . . . . . . . 5141 1 1017 . 1 1 95 95 PRO CD C 13 50.22 0.50 . 1 . . . . . . . . 5141 1 1018 . 1 1 95 95 PRO N N 15 132.56 0.50 . 1 . . . . . . . . 5141 1 1019 . 1 1 96 96 GLN H H 1 7.16 0.03 . 1 . . . . . . . . 5141 1 1020 . 1 1 96 96 GLN HA H 1 4.23 0.03 . 1 . . . . . . . . 5141 1 1021 . 1 1 96 96 GLN HB2 H 1 2.20 0.03 . 1 . . . . . . . . 5141 1 1022 . 1 1 96 96 GLN HB3 H 1 2.20 0.03 . 1 . . . . . . . . 5141 1 1023 . 1 1 96 96 GLN HG2 H 1 2.41 0.03 . 1 . . . . . . . . 5141 1 1024 . 1 1 96 96 GLN HG3 H 1 2.41 0.03 . 1 . . . . . . . . 5141 1 1025 . 1 1 96 96 GLN HE21 H 1 7.39 0.03 . 2 . . . . . . . . 5141 1 1026 . 1 1 96 96 GLN CA C 13 57.97 0.50 . 1 . . . . . . . . 5141 1 1027 . 1 1 96 96 GLN CB C 13 28.27 0.50 . 1 . . . . . . . . 5141 1 1028 . 1 1 96 96 GLN CG C 13 34.38 0.50 . 1 . . . . . . . . 5141 1 1029 . 1 1 96 96 GLN N N 15 114.08 0.50 . 1 . . . . . . . . 5141 1 1030 . 1 1 96 96 GLN NE2 N 15 111.75 0.50 . 1 . . . . . . . . 5141 1 1031 . 1 1 97 97 TRP H H 1 8.11 0.03 . 1 . . . . . . . . 5141 1 1032 . 1 1 97 97 TRP HA H 1 4.80 0.03 . 1 . . . . . . . . 5141 1 1033 . 1 1 97 97 TRP HB2 H 1 3.14 0.03 . 1 . . . . . . . . 5141 1 1034 . 1 1 97 97 TRP HB3 H 1 3.60 0.03 . 1 . . . . . . . . 5141 1 1035 . 1 1 97 97 TRP HD1 H 1 7.15 0.03 . 1 . . . . . . . . 5141 1 1036 . 1 1 97 97 TRP HE1 H 1 10.20 0.03 . 1 . . . . . . . . 5141 1 1037 . 1 1 97 97 TRP HH2 H 1 6.81 0.03 . 1 . . . . . . . . 5141 1 1038 . 1 1 97 97 TRP HZ2 H 1 7.13 0.03 . 1 . . . . . . . . 5141 1 1039 . 1 1 97 97 TRP CA C 13 57.00 0.50 . 1 . . . . . . . . 5141 1 1040 . 1 1 97 97 TRP CB C 13 29.26 0.50 . 1 . . . . . . . . 5141 1 1041 . 1 1 97 97 TRP CD1 C 13 124.50 0.50 . 1 . . . . . . . . 5141 1 1042 . 1 1 97 97 TRP CH2 C 13 123.50 0.50 . 1 . . . . . . . . 5141 1 1043 . 1 1 97 97 TRP CZ2 C 13 113.87 0.50 . 1 . . . . . . . . 5141 1 1044 . 1 1 97 97 TRP N N 15 120.74 0.50 . 1 . . . . . . . . 5141 1 1045 . 1 1 97 97 TRP NE1 N 15 128.91 0.50 . 1 . . . . . . . . 5141 1 1046 . 1 1 98 98 LEU H H 1 7.80 0.03 . 1 . . . . . . . . 5141 1 1047 . 1 1 98 98 LEU HA H 1 4.27 0.03 . 1 . . . . . . . . 5141 1 1048 . 1 1 98 98 LEU HB2 H 1 1.89 0.03 . 1 . . . . . . . . 5141 1 1049 . 1 1 98 98 LEU HB3 H 1 1.66 0.03 . 1 . . . . . . . . 5141 1 1050 . 1 1 98 98 LEU HD11 H 1 0.91 0.03 . 1 . . . . . . . . 5141 1 1051 . 1 1 98 98 LEU HD12 H 1 0.91 0.03 . 1 . . . . . . . . 5141 1 1052 . 1 1 98 98 LEU HD13 H 1 0.91 0.03 . 1 . . . . . . . . 5141 1 1053 . 1 1 98 98 LEU CA C 13 56.45 0.50 . 1 . . . . . . . . 5141 1 1054 . 1 1 98 98 LEU CB C 13 41.93 0.50 . 1 . . . . . . . . 5141 1 1055 . 1 1 98 98 LEU CG C 13 26.26 0.50 . 1 . . . . . . . . 5141 1 1056 . 1 1 98 98 LEU CD1 C 13 23.23 0.50 . 1 . . . . . . . . 5141 1 1057 . 1 1 98 98 LEU N N 15 116.27 0.50 . 1 . . . . . . . . 5141 1 1058 . 1 1 99 99 VAL H H 1 7.37 0.03 . 1 . . . . . . . . 5141 1 1059 . 1 1 99 99 VAL HA H 1 4.19 0.03 . 1 . . . . . . . . 5141 1 1060 . 1 1 99 99 VAL HB H 1 2.27 0.03 . 1 . . . . . . . . 5141 1 1061 . 1 1 99 99 VAL HG11 H 1 1.04 0.03 . 1 . . . . . . . . 5141 1 1062 . 1 1 99 99 VAL HG12 H 1 1.04 0.03 . 1 . . . . . . . . 5141 1 1063 . 1 1 99 99 VAL HG13 H 1 1.04 0.03 . 1 . . . . . . . . 5141 1 1064 . 1 1 99 99 VAL CA C 13 63.09 0.50 . 1 . . . . . . . . 5141 1 1065 . 1 1 99 99 VAL CB C 13 32.40 0.50 . 1 . . . . . . . . 5141 1 1066 . 1 1 99 99 VAL CG1 C 13 21.29 0.50 . 1 . . . . . . . . 5141 1 1067 . 1 1 99 99 VAL N N 15 117.16 0.50 . 1 . . . . . . . . 5141 1 1068 . 1 1 100 100 GLN H H 1 8.10 0.03 . 1 . . . . . . . . 5141 1 1069 . 1 1 100 100 GLN HA H 1 4.32 0.03 . 1 . . . . . . . . 5141 1 1070 . 1 1 100 100 GLN HB2 H 1 2.05 0.03 . 1 . . . . . . . . 5141 1 1071 . 1 1 100 100 GLN HB3 H 1 2.21 0.03 . 1 . . . . . . . . 5141 1 1072 . 1 1 100 100 GLN HG2 H 1 2.54 0.03 . 1 . . . . . . . . 5141 1 1073 . 1 1 100 100 GLN HG3 H 1 2.54 0.03 . 1 . . . . . . . . 5141 1 1074 . 1 1 100 100 GLN CA C 13 56.71 0.50 . 1 . . . . . . . . 5141 1 1075 . 1 1 100 100 GLN CB C 13 28.88 0.50 . 1 . . . . . . . . 5141 1 1076 . 1 1 100 100 GLN CG C 13 34.10 0.50 . 1 . . . . . . . . 5141 1 1077 . 1 1 100 100 GLN N N 15 122.39 0.50 . 1 . . . . . . . . 5141 1 1078 . 1 1 101 101 GLN H H 1 8.27 0.03 . 1 . . . . . . . . 5141 1 1079 . 1 1 101 101 GLN HA H 1 4.34 0.03 . 1 . . . . . . . . 5141 1 1080 . 1 1 101 101 GLN HB2 H 1 2.02 0.03 . 2 . . . . . . . . 5141 1 1081 . 1 1 101 101 GLN HB3 H 1 2.19 0.03 . 2 . . . . . . . . 5141 1 1082 . 1 1 101 101 GLN HG2 H 1 2.41 0.03 . 1 . . . . . . . . 5141 1 1083 . 1 1 101 101 GLN HG3 H 1 2.41 0.03 . 1 . . . . . . . . 5141 1 1084 . 1 1 101 101 GLN CA C 13 56.05 0.50 . 1 . . . . . . . . 5141 1 1085 . 1 1 101 101 GLN CB C 13 29.82 0.50 . 1 . . . . . . . . 5141 1 1086 . 1 1 101 101 GLN CG C 13 34.00 0.50 . 1 . . . . . . . . 5141 1 1087 . 1 1 101 101 GLN N N 15 120.57 0.50 . 1 . . . . . . . . 5141 1 1088 . 1 1 102 102 GLU H H 1 8.36 0.03 . 1 . . . . . . . . 5141 1 1089 . 1 1 102 102 GLU HA H 1 4.31 0.03 . 1 . . . . . . . . 5141 1 1090 . 1 1 102 102 GLU HB2 H 1 2.07 0.03 . 1 . . . . . . . . 5141 1 1091 . 1 1 102 102 GLU HB3 H 1 2.07 0.03 . 1 . . . . . . . . 5141 1 1092 . 1 1 102 102 GLU HG2 H 1 2.33 0.03 . 1 . . . . . . . . 5141 1 1093 . 1 1 102 102 GLU HG3 H 1 2.33 0.03 . 1 . . . . . . . . 5141 1 1094 . 1 1 102 102 GLU CA C 13 56.88 0.50 . 1 . . . . . . . . 5141 1 1095 . 1 1 102 102 GLU CB C 13 30.33 0.50 . 1 . . . . . . . . 5141 1 1096 . 1 1 102 102 GLU CG C 13 36.48 0.50 . 1 . . . . . . . . 5141 1 1097 . 1 1 102 102 GLU N N 15 121.35 0.50 . 1 . . . . . . . . 5141 1 1098 . 1 1 103 103 GLY H H 1 8.37 0.03 . 1 . . . . . . . . 5141 1 1099 . 1 1 103 103 GLY HA2 H 1 3.95 0.03 . 1 . . . . . . . . 5141 1 1100 . 1 1 103 103 GLY HA3 H 1 3.95 0.03 . 1 . . . . . . . . 5141 1 1101 . 1 1 103 103 GLY CA C 13 45.44 0.50 . 1 . . . . . . . . 5141 1 1102 . 1 1 103 103 GLY N N 15 109.43 0.50 . 1 . . . . . . . . 5141 1 1103 . 1 1 104 104 ILE H H 1 7.72 0.03 . 1 . . . . . . . . 5141 1 1104 . 1 1 104 104 ILE HA H 1 4.14 0.03 . 1 . . . . . . . . 5141 1 1105 . 1 1 104 104 ILE HB H 1 1.80 0.03 . 1 . . . . . . . . 5141 1 1106 . 1 1 104 104 ILE HG12 H 1 1.32 0.03 . 2 . . . . . . . . 5141 1 1107 . 1 1 104 104 ILE HG13 H 1 1.08 0.03 . 2 . . . . . . . . 5141 1 1108 . 1 1 104 104 ILE HG21 H 1 0.82 0.03 . 1 . . . . . . . . 5141 1 1109 . 1 1 104 104 ILE HG22 H 1 0.82 0.03 . 1 . . . . . . . . 5141 1 1110 . 1 1 104 104 ILE HG23 H 1 0.82 0.03 . 1 . . . . . . . . 5141 1 1111 . 1 1 104 104 ILE HD11 H 1 0.81 0.03 . 1 . . . . . . . . 5141 1 1112 . 1 1 104 104 ILE HD12 H 1 0.81 0.03 . 1 . . . . . . . . 5141 1 1113 . 1 1 104 104 ILE HD13 H 1 0.81 0.03 . 1 . . . . . . . . 5141 1 1114 . 1 1 104 104 ILE CA C 13 61.02 0.50 . 1 . . . . . . . . 5141 1 1115 . 1 1 104 104 ILE CB C 13 38.59 0.50 . 1 . . . . . . . . 5141 1 1116 . 1 1 104 104 ILE CG1 C 13 26.91 0.50 . 1 . . . . . . . . 5141 1 1117 . 1 1 104 104 ILE CG2 C 13 17.51 0.50 . 1 . . . . . . . . 5141 1 1118 . 1 1 104 104 ILE CD1 C 13 13.16 0.50 . 1 . . . . . . . . 5141 1 1119 . 1 1 104 104 ILE N N 15 119.75 0.50 . 1 . . . . . . . . 5141 1 1120 . 1 1 105 105 PHE H H 1 7.77 0.03 . 1 . . . . . . . . 5141 1 1121 . 1 1 105 105 PHE HA H 1 4.51 0.03 . 1 . . . . . . . . 5141 1 1122 . 1 1 105 105 PHE HB2 H 1 2.95 0.03 . 1 . . . . . . . . 5141 1 1123 . 1 1 105 105 PHE HB3 H 1 3.20 0.03 . 1 . . . . . . . . 5141 1 1124 . 1 1 105 105 PHE HD1 H 1 7.23 0.03 . 1 . . . . . . . . 5141 1 1125 . 1 1 105 105 PHE HD2 H 1 7.24 0.03 . 1 . . . . . . . . 5141 1 1126 . 1 1 105 105 PHE CA C 13 58.96 0.50 . 1 . . . . . . . . 5141 1 1127 . 1 1 105 105 PHE CB C 13 40.60 0.50 . 1 . . . . . . . . 5141 1 1128 . 1 1 105 105 PHE CD1 C 13 132.13 0.50 . 1 . . . . . . . . 5141 1 1129 . 1 1 105 105 PHE CD2 C 13 132.01 0.50 . 1 . . . . . . . . 5141 1 1130 . 1 1 105 105 PHE N N 15 128.83 0.50 . 1 . . . . . . . . 5141 1 stop_ save_