data_6919 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6919 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 '1H, 13C and 15N resonance assignments of the region 655-775 of the human MAN1' 'Structure analysis' ; The data from this entry that make up this study were used to determine the structure of region 655-775 of the C-terminal domain of human MAN1. ; 6919 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . NMR 6919 1 . structure 6919 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . . 'Assigned chemical shift entry' 'Complete 13C 15N and 1H chemical shift assignments.' 6919 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6919 _Entry.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the region 655-775 of the human MAN1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-07 _Entry.Accession_date 2005-12-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sandrine Caputo . . . 6919 2 Lin Feng . . . 6919 3 Bernard Gilquin . . . 6919 4 Howard Worman . J. . 6919 5 Sophie Zinn-Justin . . . 6919 6 Joel Couprie . . . 6919 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . CEA . 6919 . . 'Columbia University' . 6919 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6919 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 6919 '15N chemical shifts' 99 6919 '1H chemical shifts' 707 6919 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 . . 2007-02-05 2005-12-07 update BMRB 'complete entry citation' 6919 1 . . 2005-12-16 2005-12-07 original author 'original release' 6919 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CH0 'BMRB Entry Tracking System' 6919 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6919 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16601860 _Citation.Full_citation . _Citation.Title 'NMR Assignment of Region 655-775 of Human MAN1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2 _Citation.Page_last 2 _Citation.Year 2006 _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 Sandrine Caputo . . . 6919 1 2 Feng Lin . . . 6919 1 3 Bernard Gilquin . . . 6919 1 4 Howard Worman . J. . 6919 1 5 Sophie Zinn-Justin . . . 6919 1 6 Joel Couprie . . . 6919 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MAN1 6919 1 NMR 6919 1 'nuclear envelope' 6919 1 Smad 6919 1 Structure 6919 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6919 _Assembly.ID 1 _Assembly.Name 'MAN1 655-775 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 15892.19 _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 protein 6919 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 'MAN1 655-775 domain' 1 $MAN1_polypeptide . . no native no yes . . . 6919 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MAN1_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode MAN1_polypeptide _Entity.Entry_ID 6919 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'MAN1 655-775' _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 ; GSPEFRWTKEEEETRQMYDM VVKIIDVLRSHNEACQENKD LQPYMPIPHVRDSLIQPHDR KKMKKVWDRAVDFLAANESR VRTETRRIGGADFLVWRWIQ PSASCDKILVIPSKVWQGQA FHLDRRLERPHRD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15892.19 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2CH0 . "Solution Structure Of The Human Man1 C-Terminal Domain (Residues 655-775)" . . . . . 99.25 133 100.00 100.00 1.18e-91 . . . . 6919 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAN1 655-775' . 6919 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 . 6919 1 2 . SER . 6919 1 3 . PRO . 6919 1 4 . GLU . 6919 1 5 . PHE . 6919 1 6 . ARG . 6919 1 7 . TRP . 6919 1 8 . THR . 6919 1 9 . LYS . 6919 1 10 . GLU . 6919 1 11 . GLU . 6919 1 12 . GLU . 6919 1 13 . GLU . 6919 1 14 . THR . 6919 1 15 . ARG . 6919 1 16 . GLN . 6919 1 17 . MET . 6919 1 18 . TYR . 6919 1 19 . ASP . 6919 1 20 . MET . 6919 1 21 . VAL . 6919 1 22 . VAL . 6919 1 23 . LYS . 6919 1 24 . ILE . 6919 1 25 . ILE . 6919 1 26 . ASP . 6919 1 27 . VAL . 6919 1 28 . LEU . 6919 1 29 . ARG . 6919 1 30 . SER . 6919 1 31 . HIS . 6919 1 32 . ASN . 6919 1 33 . GLU . 6919 1 34 . ALA . 6919 1 35 . CYS . 6919 1 36 . GLN . 6919 1 37 . GLU . 6919 1 38 . ASN . 6919 1 39 . LYS . 6919 1 40 . ASP . 6919 1 41 . LEU . 6919 1 42 . GLN . 6919 1 43 . PRO . 6919 1 44 . TYR . 6919 1 45 . MET . 6919 1 46 . PRO . 6919 1 47 . ILE . 6919 1 48 . PRO . 6919 1 49 . HIS . 6919 1 50 . VAL . 6919 1 51 . ARG . 6919 1 52 . ASP . 6919 1 53 . SER . 6919 1 54 . LEU . 6919 1 55 . ILE . 6919 1 56 . GLN . 6919 1 57 . PRO . 6919 1 58 . HIS . 6919 1 59 . ASP . 6919 1 60 . ARG . 6919 1 61 . LYS . 6919 1 62 . LYS . 6919 1 63 . MET . 6919 1 64 . LYS . 6919 1 65 . LYS . 6919 1 66 . VAL . 6919 1 67 . TRP . 6919 1 68 . ASP . 6919 1 69 . ARG . 6919 1 70 . ALA . 6919 1 71 . VAL . 6919 1 72 . ASP . 6919 1 73 . PHE . 6919 1 74 . LEU . 6919 1 75 . ALA . 6919 1 76 . ALA . 6919 1 77 . ASN . 6919 1 78 . GLU . 6919 1 79 . SER . 6919 1 80 . ARG . 6919 1 81 . VAL . 6919 1 82 . ARG . 6919 1 83 . THR . 6919 1 84 . GLU . 6919 1 85 . THR . 6919 1 86 . ARG . 6919 1 87 . ARG . 6919 1 88 . ILE . 6919 1 89 . GLY . 6919 1 90 . GLY . 6919 1 91 . ALA . 6919 1 92 . ASP . 6919 1 93 . PHE . 6919 1 94 . LEU . 6919 1 95 . VAL . 6919 1 96 . TRP . 6919 1 97 . ARG . 6919 1 98 . TRP . 6919 1 99 . ILE . 6919 1 100 . GLN . 6919 1 101 . PRO . 6919 1 102 . SER . 6919 1 103 . ALA . 6919 1 104 . SER . 6919 1 105 . CYS . 6919 1 106 . ASP . 6919 1 107 . LYS . 6919 1 108 . ILE . 6919 1 109 . LEU . 6919 1 110 . VAL . 6919 1 111 . ILE . 6919 1 112 . PRO . 6919 1 113 . SER . 6919 1 114 . LYS . 6919 1 115 . VAL . 6919 1 116 . TRP . 6919 1 117 . GLN . 6919 1 118 . GLY . 6919 1 119 . GLN . 6919 1 120 . ALA . 6919 1 121 . PHE . 6919 1 122 . HIS . 6919 1 123 . LEU . 6919 1 124 . ASP . 6919 1 125 . ARG . 6919 1 126 . ARG . 6919 1 127 . LEU . 6919 1 128 . GLU . 6919 1 129 . ARG . 6919 1 130 . PRO . 6919 1 131 . HIS . 6919 1 132 . ARG . 6919 1 133 . ASP . 6919 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 6919 1 . SER 2 2 6919 1 . PRO 3 3 6919 1 . GLU 4 4 6919 1 . PHE 5 5 6919 1 . ARG 6 6 6919 1 . TRP 7 7 6919 1 . THR 8 8 6919 1 . LYS 9 9 6919 1 . GLU 10 10 6919 1 . GLU 11 11 6919 1 . GLU 12 12 6919 1 . GLU 13 13 6919 1 . THR 14 14 6919 1 . ARG 15 15 6919 1 . GLN 16 16 6919 1 . MET 17 17 6919 1 . TYR 18 18 6919 1 . ASP 19 19 6919 1 . MET 20 20 6919 1 . VAL 21 21 6919 1 . VAL 22 22 6919 1 . LYS 23 23 6919 1 . ILE 24 24 6919 1 . ILE 25 25 6919 1 . ASP 26 26 6919 1 . VAL 27 27 6919 1 . LEU 28 28 6919 1 . ARG 29 29 6919 1 . SER 30 30 6919 1 . HIS 31 31 6919 1 . ASN 32 32 6919 1 . GLU 33 33 6919 1 . ALA 34 34 6919 1 . CYS 35 35 6919 1 . GLN 36 36 6919 1 . GLU 37 37 6919 1 . ASN 38 38 6919 1 . LYS 39 39 6919 1 . ASP 40 40 6919 1 . LEU 41 41 6919 1 . GLN 42 42 6919 1 . PRO 43 43 6919 1 . TYR 44 44 6919 1 . MET 45 45 6919 1 . PRO 46 46 6919 1 . ILE 47 47 6919 1 . PRO 48 48 6919 1 . HIS 49 49 6919 1 . VAL 50 50 6919 1 . ARG 51 51 6919 1 . ASP 52 52 6919 1 . SER 53 53 6919 1 . LEU 54 54 6919 1 . ILE 55 55 6919 1 . GLN 56 56 6919 1 . PRO 57 57 6919 1 . HIS 58 58 6919 1 . ASP 59 59 6919 1 . ARG 60 60 6919 1 . LYS 61 61 6919 1 . LYS 62 62 6919 1 . MET 63 63 6919 1 . LYS 64 64 6919 1 . LYS 65 65 6919 1 . VAL 66 66 6919 1 . TRP 67 67 6919 1 . ASP 68 68 6919 1 . ARG 69 69 6919 1 . ALA 70 70 6919 1 . VAL 71 71 6919 1 . ASP 72 72 6919 1 . PHE 73 73 6919 1 . LEU 74 74 6919 1 . ALA 75 75 6919 1 . ALA 76 76 6919 1 . ASN 77 77 6919 1 . GLU 78 78 6919 1 . SER 79 79 6919 1 . ARG 80 80 6919 1 . VAL 81 81 6919 1 . ARG 82 82 6919 1 . THR 83 83 6919 1 . GLU 84 84 6919 1 . THR 85 85 6919 1 . ARG 86 86 6919 1 . ARG 87 87 6919 1 . ILE 88 88 6919 1 . GLY 89 89 6919 1 . GLY 90 90 6919 1 . ALA 91 91 6919 1 . ASP 92 92 6919 1 . PHE 93 93 6919 1 . LEU 94 94 6919 1 . VAL 95 95 6919 1 . TRP 96 96 6919 1 . ARG 97 97 6919 1 . TRP 98 98 6919 1 . ILE 99 99 6919 1 . GLN 100 100 6919 1 . PRO 101 101 6919 1 . SER 102 102 6919 1 . ALA 103 103 6919 1 . SER 104 104 6919 1 . CYS 105 105 6919 1 . ASP 106 106 6919 1 . LYS 107 107 6919 1 . ILE 108 108 6919 1 . LEU 109 109 6919 1 . VAL 110 110 6919 1 . ILE 111 111 6919 1 . PRO 112 112 6919 1 . SER 113 113 6919 1 . LYS 114 114 6919 1 . VAL 115 115 6919 1 . TRP 116 116 6919 1 . GLN 117 117 6919 1 . GLY 118 118 6919 1 . GLN 119 119 6919 1 . ALA 120 120 6919 1 . PHE 121 121 6919 1 . HIS 122 122 6919 1 . LEU 123 123 6919 1 . ASP 124 124 6919 1 . ARG 125 125 6919 1 . ARG 126 126 6919 1 . LEU 127 127 6919 1 . GLU 128 128 6919 1 . ARG 129 129 6919 1 . PRO 130 130 6919 1 . HIS 131 131 6919 1 . ARG 132 132 6919 1 . ASP 133 133 6919 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 6919 _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 $MAN1_polypeptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . pGEX4-T1 . . . . . . 6919 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 6919 _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 $MAN1_polypeptide . 'recombinant technology' . 'E. coli' 'BL21 DE3 Rosetta pLys S' 562 Escherichia coli 'BL21 DE3 Rosetta pLys S' . . . . . . . . . . . . . . . . . . . . . . 6919 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_MAN1_N15 _Sample.Sf_category sample _Sample.Sf_framecode MAN1_N15 _Sample.Entry_ID 6919 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MAN1655-775 '[U-99% 15N; U-10% 2H]' . . 1 $MAN1_polypeptide . protein 0.8 . . mM . . . . 6919 1 2 Phosphate . . . . . . buffer 50 . . mM . . . . 6919 1 3 NaCl . . . . . . salt 150 . . mM . . . . 6919 1 4 EDTA . . . . . . 'chelating agent' 1 . . mM . . . . 6919 1 5 TCEP . . . . . . additive 2 . . mM . . . . 6919 1 6 TSP . . . . . . 'internal reference' 2 . . mM . . . . 6919 1 7 NaN3 . . . . . . 'antimicrobial agent' 0.01 . . % . . . . 6919 1 8 D2O . . . . . . solvent 10 . . % . . . . 6919 1 stop_ save_ save_MAN1_N15_C13 _Sample.Sf_category sample _Sample.Sf_framecode MAN1_N15_C13 _Sample.Entry_ID 6919 _Sample.ID 2 _Sample.Type emulsion _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 MAN1655-775 '[U-99% 15N; U-99% 13C; U10% 2H]' . . 1 $MAN1_polypeptide . protein 0.8 . . mM . . . . 6919 2 2 Phosphate . . . . . . buffer 50 . . mM . . . . 6919 2 3 NaCl . . . . . . salt 150 . . mM . . . . 6919 2 4 EDTA . . . . . . 'chelating agent' 1 . . mM . . . . 6919 2 5 TCEP . . . . . . additive 2 . . mM . . . . 6919 2 6 TSP . . . . . . 'internal reference' 2 . . mM . . . . 6919 2 7 NaN3 . . . . . . 'antimicrobial agent' 0.01 . . % . . . . 6919 2 8 D2O . . . . . . solvent 10 . . % . . . . 6919 2 stop_ save_ save_MAN1_N15_C13_D20 _Sample.Sf_category sample _Sample.Sf_framecode MAN1_N15_C13_D20 _Sample.Entry_ID 6919 _Sample.ID 3 _Sample.Type emulsion _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MAN1655-775 '[U-99% 15N; U-99% 13C; U-100% 2H]' . . 1 $MAN1_polypeptide . protein 0.8 . . mM . . . . 6919 3 2 Phosphate . . . . . . buffer 50 . . mM . . . . 6919 3 3 NaCl . . . . . . salt 150 . . mM . . . . 6919 3 4 EDTA . . . . . . 'chelating agent' 1 . . mM . . . . 6919 3 5 TCEP . . . . . . additive 2 . . mM . . . . 6919 3 6 TSP . . . . . . 'internal reference' 2 . . mM . . . . 6919 3 7 NaN3 . . . . . . 'antimicrobial agent' 0.01 . . % . . . . 6919 3 8 D2O . . . . . . solvent 10 . . % . . . . 6919 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6919 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 0.2 pH 6919 1 temperature 300 1 K 6919 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 6919 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6919 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6919 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6919 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 1H15N_HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 2 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 3 HNCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 4 HNCACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 5 CBCA(CO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 6 (HCA)CO(CA)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 7 CBCACOHA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 8 HNHA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 9 HBHA(CO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 10 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 11 HCCH-COSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 12 13C_HSQC_NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 13 15N_HSQC-NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6919 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_TSP _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode TSP _Chem_shift_reference.Entry_ID 6919 _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 . . . . . . . 1 $entry_citation 6919 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . 1 $entry_citation 6919 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . 1 $entry_citation 6919 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6919 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $TSP _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 . 1H15N_HSQC 1 $MAN1_N15 isotropic 6919 1 . HNCO . $MAN1_N15_C13 isotropic 6919 1 . HNCA . $MAN1_N15_C13 isotropic 6919 1 . HNCACB . $MAN1_N15_C13 isotropic 6919 1 . CBCA(CO)NH . $MAN1_N15_C13 isotropic 6919 1 . (HCA)CO(CA)NH . $MAN1_N15_C13 isotropic 6919 1 . CBCACOHA . $MAN1_N15_C13 isotropic 6919 1 . HNHA 1 $MAN1_N15 isotropic 6919 1 . HBHA(CO)NH 1 $MAN1_N15 isotropic 6919 1 . HCCH-TOCSY . $MAN1_N15_C13_D20 isotropic 6919 1 . HCCH-COSY . $MAN1_N15_C13_D20 isotropic 6919 1 . 13C_HSQC_NOESY . $MAN1_N15_C13_D20 isotropic 6919 1 . 15N_HSQC-NOESY 1 $MAN1_N15 isotropic 6919 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Felix . . 6919 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 7.978 0.03 . 1 . . . . 2 SER H . 6919 1 2 . 1 1 2 2 SER HA H 1 4.798 0.03 . 1 . . . . 2 SER HA . 6919 1 3 . 1 1 2 2 SER HB2 H 1 3.859 0.03 . 1 . . . . 2 SER HB2 . 6919 1 4 . 1 1 2 2 SER HB3 H 1 3.859 0.03 . 1 . . . . 2 SER HB3 . 6919 1 5 . 1 1 2 2 SER CA C 13 56.721 0.3 . 1 . . . . 2 SER CA . 6919 1 6 . 1 1 2 2 SER CB C 13 62.962 0.3 . 1 . . . . 2 SER CB . 6919 1 7 . 1 1 2 2 SER N N 15 121.560 0.3 . 1 . . . . 2 SER N . 6919 1 8 . 1 1 3 3 PRO HA H 1 4.374 0.03 . 1 . . . . 3 PRO HA . 6919 1 9 . 1 1 3 3 PRO HB2 H 1 1.787 0.03 . 2 . . . . 3 PRO HB2 . 6919 1 10 . 1 1 3 3 PRO HB3 H 1 2.226 0.03 . 2 . . . . 3 PRO HB3 . 6919 1 11 . 1 1 3 3 PRO HG2 H 1 1.980 0.03 . 1 . . . . 3 PRO HG2 . 6919 1 12 . 1 1 3 3 PRO HG3 H 1 1.980 0.03 . 1 . . . . 3 PRO HG3 . 6919 1 13 . 1 1 3 3 PRO HD2 H 1 3.699 0.03 . 1 . . . . 3 PRO HD2 . 6919 1 14 . 1 1 3 3 PRO HD3 H 1 3.817 0.03 . 1 . . . . 3 PRO HD3 . 6919 1 15 . 1 1 3 3 PRO C C 13 176.515 0.3 . 1 . . . . 3 PRO C . 6919 1 16 . 1 1 3 3 PRO CA C 13 63.294 0.3 . 1 . . . . 3 PRO CA . 6919 1 17 . 1 1 3 3 PRO CB C 13 32.137 0.3 . 1 . . . . 3 PRO CB . 6919 1 18 . 1 1 3 3 PRO CG C 13 27.379 0.3 . 1 . . . . 3 PRO CG . 6919 1 19 . 1 1 3 3 PRO CD C 13 50.841 0.3 . 1 . . . . 3 PRO CD . 6919 1 20 . 1 1 4 4 GLU H H 1 8.380 0.03 . 1 . . . . 4 GLU H . 6919 1 21 . 1 1 4 4 GLU HA H 1 4.112 0.03 . 1 . . . . 4 GLU HA . 6919 1 22 . 1 1 4 4 GLU HB2 H 1 1.809 0.03 . 2 . . . . 4 GLU HB2 . 6919 1 23 . 1 1 4 4 GLU HB3 H 1 1.858 0.03 . 2 . . . . 4 GLU HB3 . 6919 1 24 . 1 1 4 4 GLU HG2 H 1 2.066 0.03 . 2 . . . . 4 GLU HG2 . 6919 1 25 . 1 1 4 4 GLU HG3 H 1 2.146 0.03 . 2 . . . . 4 GLU HG3 . 6919 1 26 . 1 1 4 4 GLU C C 13 176.490 0.3 . 1 . . . . 4 GLU C . 6919 1 27 . 1 1 4 4 GLU CA C 13 56.544 0.3 . 1 . . . . 4 GLU CA . 6919 1 28 . 1 1 4 4 GLU CB C 13 30.251 0.3 . 1 . . . . 4 GLU CB . 6919 1 29 . 1 1 4 4 GLU CG C 13 36.198 0.3 . 1 . . . . 4 GLU CG . 6919 1 30 . 1 1 4 4 GLU N N 15 120.326 0.3 . 1 . . . . 4 GLU N . 6919 1 31 . 1 1 5 5 PHE H H 1 8.060 0.03 . 1 . . . . 5 PHE H . 6919 1 32 . 1 1 5 5 PHE HA H 1 4.490 0.03 . 1 . . . . 5 PHE HA . 6919 1 33 . 1 1 5 5 PHE HB2 H 1 2.838 0.03 . 1 . . . . 5 PHE HB2 . 6919 1 34 . 1 1 5 5 PHE HB3 H 1 2.838 0.03 . 1 . . . . 5 PHE HB3 . 6919 1 35 . 1 1 5 5 PHE HD1 H 1 7.118 0.03 . 1 . . . . 5 PHE HD1 . 6919 1 36 . 1 1 5 5 PHE HE1 H 1 7.216 0.03 . 1 . . . . 5 PHE HE1 . 6919 1 37 . 1 1 5 5 PHE HZ H 1 7.209 0.03 . 1 . . . . 5 PHE HZ . 6919 1 38 . 1 1 5 5 PHE C C 13 175.178 0.3 . 1 . . . . 5 PHE C . 6919 1 39 . 1 1 5 5 PHE CA C 13 57.409 0.3 . 1 . . . . 5 PHE CA . 6919 1 40 . 1 1 5 5 PHE CB C 13 39.562 0.3 . 1 . . . . 5 PHE CB . 6919 1 41 . 1 1 5 5 PHE CD1 C 13 131.374 0.3 . 1 . . . . 5 PHE CD1 . 6919 1 42 . 1 1 5 5 PHE CE1 C 13 131.364 0.3 . 1 . . . . 5 PHE CE1 . 6919 1 43 . 1 1 5 5 PHE CZ C 13 129.461 0.3 . 1 . . . . 5 PHE CZ . 6919 1 44 . 1 1 5 5 PHE N N 15 120.794 0.3 . 1 . . . . 5 PHE N . 6919 1 45 . 1 1 6 6 ARG H H 1 8.016 0.03 . 1 . . . . 6 ARG H . 6919 1 46 . 1 1 6 6 ARG HA H 1 4.197 0.03 . 1 . . . . 6 ARG HA . 6919 1 47 . 1 1 6 6 ARG HB2 H 1 1.551 0.03 . 2 . . . . 6 ARG HB2 . 6919 1 48 . 1 1 6 6 ARG HB3 H 1 1.617 0.03 . 2 . . . . 6 ARG HB3 . 6919 1 49 . 1 1 6 6 ARG HG2 H 1 1.370 0.03 . 1 . . . . 6 ARG HG2 . 6919 1 50 . 1 1 6 6 ARG HG3 H 1 1.370 0.03 . 1 . . . . 6 ARG HG3 . 6919 1 51 . 1 1 6 6 ARG HD2 H 1 3.043 0.03 . 1 . . . . 6 ARG HD2 . 6919 1 52 . 1 1 6 6 ARG HD3 H 1 3.043 0.03 . 1 . . . . 6 ARG HD3 . 6919 1 53 . 1 1 6 6 ARG C C 13 175.904 0.3 . 1 . . . . 6 ARG C . 6919 1 54 . 1 1 6 6 ARG CA C 13 55.963 0.3 . 1 . . . . 6 ARG CA . 6919 1 55 . 1 1 6 6 ARG CB C 13 30.869 0.3 . 1 . . . . 6 ARG CB . 6919 1 56 . 1 1 6 6 ARG CG C 13 26.825 0.3 . 1 . . . . 6 ARG CG . 6919 1 57 . 1 1 6 6 ARG CD C 13 43.284 0.3 . 1 . . . . 6 ARG CD . 6919 1 58 . 1 1 6 6 ARG N N 15 122.629 0.3 . 1 . . . . 6 ARG N . 6919 1 59 . 1 1 7 7 TRP H H 1 7.978 0.03 . 1 . . . . 7 TRP H . 6919 1 60 . 1 1 7 7 TRP HA H 1 4.823 0.03 . 1 . . . . 7 TRP HA . 6919 1 61 . 1 1 7 7 TRP HB2 H 1 3.187 0.03 . 2 . . . . 7 TRP HB2 . 6919 1 62 . 1 1 7 7 TRP HB3 H 1 3.363 0.03 . 2 . . . . 7 TRP HB3 . 6919 1 63 . 1 1 7 7 TRP HD1 H 1 7.278 0.03 . 1 . . . . 7 TRP HD1 . 6919 1 64 . 1 1 7 7 TRP HE1 H 1 10.268 0.03 . 1 . . . . 7 TRP HE1 . 6919 1 65 . 1 1 7 7 TRP HE3 H 1 7.650 0.03 . 1 . . . . 7 TRP HE3 . 6919 1 66 . 1 1 7 7 TRP HZ2 H 1 7.340 0.03 . 1 . . . . 7 TRP HZ2 . 6919 1 67 . 1 1 7 7 TRP C C 13 176.704 0.3 . 1 . . . . 7 TRP C . 6919 1 68 . 1 1 7 7 TRP CA C 13 56.936 0.3 . 1 . . . . 7 TRP CA . 6919 1 69 . 1 1 7 7 TRP CB C 13 30.008 0.3 . 1 . . . . 7 TRP CB . 6919 1 70 . 1 1 7 7 TRP CD1 C 13 126.860 0.3 . 1 . . . . 7 TRP CD1 . 6919 1 71 . 1 1 7 7 TRP CE3 C 13 120.650 0.3 . 1 . . . . 7 TRP CE3 . 6919 1 72 . 1 1 7 7 TRP N N 15 121.566 0.3 . 1 . . . . 7 TRP N . 6919 1 73 . 1 1 7 7 TRP NE1 N 15 129.255 0.3 . 1 . . . . 7 TRP NE1 . 6919 1 74 . 1 1 8 8 THR H H 1 8.344 0.03 . 1 . . . . 8 THR H . 6919 1 75 . 1 1 8 8 THR HA H 1 4.385 0.03 . 1 . . . . 8 THR HA . 6919 1 76 . 1 1 8 8 THR HB H 1 4.504 0.03 . 1 . . . . 8 THR HB . 6919 1 77 . 1 1 8 8 THR HG21 H 1 1.266 0.03 . 1 . . . . 8 THR HG1 . 6919 1 78 . 1 1 8 8 THR HG22 H 1 1.266 0.03 . 1 . . . . 8 THR HG1 . 6919 1 79 . 1 1 8 8 THR HG23 H 1 1.266 0.03 . 1 . . . . 8 THR HG1 . 6919 1 80 . 1 1 8 8 THR C C 13 174.949 0.3 . 1 . . . . 8 THR C . 6919 1 81 . 1 1 8 8 THR CA C 13 61.659 0.3 . 1 . . . . 8 THR CA . 6919 1 82 . 1 1 8 8 THR CB C 13 70.570 0.3 . 1 . . . . 8 THR CB . 6919 1 83 . 1 1 8 8 THR CG2 C 13 21.878 0.3 . 1 . . . . 8 THR CG2 . 6919 1 84 . 1 1 8 8 THR N N 15 114.306 0.3 . 1 . . . . 8 THR N . 6919 1 85 . 1 1 9 9 LYS H H 1 8.565 0.03 . 1 . . . . 9 LYS H . 6919 1 86 . 1 1 9 9 LYS HA H 1 4.117 0.03 . 1 . . . . 9 LYS HA . 6919 1 87 . 1 1 9 9 LYS HB2 H 1 1.720 0.03 . 2 . . . . 9 LYS HB2 . 6919 1 88 . 1 1 9 9 LYS HB3 H 1 1.860 0.03 . 2 . . . . 9 LYS HB3 . 6919 1 89 . 1 1 9 9 LYS HG2 H 1 1.460 0.03 . 1 . . . . 9 LYS HG2 . 6919 1 90 . 1 1 9 9 LYS HG3 H 1 1.460 0.03 . 1 . . . . 9 LYS HG3 . 6919 1 91 . 1 1 9 9 LYS HE2 H 1 3.000 0.03 . 1 . . . . 9 LYS HD2 . 6919 1 92 . 1 1 9 9 LYS HE3 H 1 3.000 0.03 . 1 . . . . 9 LYS HD3 . 6919 1 93 . 1 1 9 9 LYS C C 13 178.195 0.3 . 1 . . . . 9 LYS C . 6919 1 94 . 1 1 9 9 LYS CA C 13 58.526 0.3 . 1 . . . . 9 LYS CA . 6919 1 95 . 1 1 9 9 LYS N N 15 121.730 0.3 . 1 . . . . 9 LYS N . 6919 1 96 . 1 1 10 10 GLU H H 1 8.531 0.03 . 1 . . . . 10 GLU H . 6919 1 97 . 1 1 10 10 GLU HA H 1 4.093 0.03 . 1 . . . . 10 GLU HA . 6919 1 98 . 1 1 10 10 GLU HB2 H 1 1.967 0.03 . 2 . . . . 10 GLU HB2 . 6919 1 99 . 1 1 10 10 GLU HB3 H 1 2.037 0.03 . 2 . . . . 10 GLU HB3 . 6919 1 100 . 1 1 10 10 GLU HG2 H 1 2.258 0.03 . 2 . . . . 10 GLU HG2 . 6919 1 101 . 1 1 10 10 GLU HG3 H 1 2.351 0.03 . 2 . . . . 10 GLU HG3 . 6919 1 102 . 1 1 10 10 GLU C C 13 179.137 0.3 . 1 . . . . 10 GLU C . 6919 1 103 . 1 1 10 10 GLU CA C 13 59.339 0.3 . 1 . . . . 10 GLU CA . 6919 1 104 . 1 1 10 10 GLU CB C 13 29.219 0.3 . 1 . . . . 10 GLU CB . 6919 1 105 . 1 1 10 10 GLU CG C 13 36.724 0.3 . 1 . . . . 10 GLU CG . 6919 1 106 . 1 1 10 10 GLU N N 15 119.384 0.3 . 1 . . . . 10 GLU N . 6919 1 107 . 1 1 11 11 GLU H H 1 8.286 0.03 . 1 . . . . 11 GLU H . 6919 1 108 . 1 1 11 11 GLU HA H 1 4.064 0.03 . 1 . . . . 11 GLU HA . 6919 1 109 . 1 1 11 11 GLU HB2 H 1 2.109 0.03 . 2 . . . . 11 GLU HB2 . 6919 1 110 . 1 1 11 11 GLU HB3 H 1 2.290 0.03 . 2 . . . . 11 GLU HB3 . 6919 1 111 . 1 1 11 11 GLU HG2 H 1 2.410 0.03 . 2 . . . . 11 GLU HG2 . 6919 1 112 . 1 1 11 11 GLU HG3 H 1 2.657 0.03 . 2 . . . . 11 GLU HG3 . 6919 1 113 . 1 1 11 11 GLU CA C 13 59.154 0.3 . 1 . . . . 11 GLU CA . 6919 1 114 . 1 1 11 11 GLU CB C 13 29.514 0.3 . 1 . . . . 11 GLU CB . 6919 1 115 . 1 1 11 11 GLU CG C 13 34.386 0.3 . 1 . . . . 11 GLU CG . 6919 1 116 . 1 1 11 11 GLU N N 15 117.546 0.3 . 1 . . . . 11 GLU N . 6919 1 117 . 1 1 13 13 GLU H H 1 8.307 0.03 . 1 . . . . 13 GLU H . 6919 1 118 . 1 1 13 13 GLU HA H 1 4.002 0.03 . 1 . . . . 13 GLU HA . 6919 1 119 . 1 1 13 13 GLU HB2 H 1 1.966 0.03 . 2 . . . . 13 GLU HB2 . 6919 1 120 . 1 1 13 13 GLU HB3 H 1 2.149 0.03 . 2 . . . . 13 GLU HB3 . 6919 1 121 . 1 1 13 13 GLU HG2 H 1 2.099 0.03 . 2 . . . . 13 GLU HG2 . 6919 1 122 . 1 1 13 13 GLU HG3 H 1 2.351 0.03 . 2 . . . . 13 GLU HG3 . 6919 1 123 . 1 1 13 13 GLU C C 13 178.883 0.3 . 1 . . . . 13 GLU C . 6919 1 124 . 1 1 13 13 GLU CA C 13 59.786 0.3 . 1 . . . . 13 GLU CA . 6919 1 125 . 1 1 13 13 GLU CB C 13 30.189 0.3 . 1 . . . . 13 GLU CB . 6919 1 126 . 1 1 13 13 GLU CG C 13 37.580 0.3 . 1 . . . . 13 GLU CG . 6919 1 127 . 1 1 13 13 GLU N N 15 119.391 0.3 . 1 . . . . 13 GLU N . 6919 1 128 . 1 1 14 14 THR H H 1 8.034 0.03 . 1 . . . . 14 THR H . 6919 1 129 . 1 1 14 14 THR HA H 1 3.756 0.03 . 1 . . . . 14 THR HA . 6919 1 130 . 1 1 14 14 THR HB H 1 4.254 0.03 . 1 . . . . 14 THR HB . 6919 1 131 . 1 1 14 14 THR HG21 H 1 1.157 0.03 . 1 . . . . 14 THR HG1 . 6919 1 132 . 1 1 14 14 THR HG22 H 1 1.157 0.03 . 1 . . . . 14 THR HG1 . 6919 1 133 . 1 1 14 14 THR HG23 H 1 1.157 0.03 . 1 . . . . 14 THR HG1 . 6919 1 134 . 1 1 14 14 THR CA C 13 66.260 0.3 . 1 . . . . 14 THR CA . 6919 1 135 . 1 1 14 14 THR CB C 13 67.924 0.3 . 1 . . . . 14 THR CB . 6919 1 136 . 1 1 14 14 THR N N 15 117.020 0.3 . 1 . . . . 14 THR N . 6919 1 137 . 1 1 17 17 MET HA H 1 3.763 0.03 . 1 . . . . 17 MET HA . 6919 1 138 . 1 1 17 17 MET HB2 H 1 2.250 0.03 . 1 . . . . 17 MET HB2 . 6919 1 139 . 1 1 17 17 MET HB3 H 1 2.250 0.03 . 1 . . . . 17 MET HB3 . 6919 1 140 . 1 1 17 17 MET HG2 H 1 1.880 0.03 . 1 . . . . 17 MET HG2 . 6919 1 141 . 1 1 17 17 MET HG3 H 1 1.880 0.03 . 1 . . . . 17 MET HG3 . 6919 1 142 . 1 1 17 17 MET HE1 H 1 1.235 0.03 . 1 . . . . 17 MET HE . 6919 1 143 . 1 1 17 17 MET HE2 H 1 1.235 0.03 . 1 . . . . 17 MET HE . 6919 1 144 . 1 1 17 17 MET HE3 H 1 1.235 0.03 . 1 . . . . 17 MET HE . 6919 1 145 . 1 1 17 17 MET CA C 13 59.976 0.3 . 1 . . . . 17 MET CA . 6919 1 146 . 1 1 17 17 MET CE C 13 18.320 0.3 . 1 . . . . 17 MET CE . 6919 1 147 . 1 1 18 18 TYR HA H 1 3.870 0.03 . 1 . . . . 18 TYR HA . 6919 1 148 . 1 1 18 18 TYR HB2 H 1 2.810 0.03 . 2 . . . . 18 TYR HB2 . 6919 1 149 . 1 1 18 18 TYR HB3 H 1 3.000 0.03 . 2 . . . . 18 TYR HB3 . 6919 1 150 . 1 1 18 18 TYR HD1 H 1 6.870 0.03 . 1 . . . . 18 TYR HD1 . 6919 1 151 . 1 1 18 18 TYR HE1 H 1 6.580 0.03 . 1 . . . . 18 TYR HE1 . 6919 1 152 . 1 1 18 18 TYR CD1 C 13 131.980 0.3 . 1 . . . . 18 TYR CD1 . 6919 1 153 . 1 1 18 18 TYR CE1 C 13 117.680 0.3 . 1 . . . . 18 TYR CE1 . 6919 1 154 . 1 1 20 20 MET HA H 1 4.447 0.03 . 1 . . . . 20 MET HA . 6919 1 155 . 1 1 20 20 MET HB2 H 1 2.228 0.03 . 1 . . . . 20 MET HB2 . 6919 1 156 . 1 1 20 20 MET HB3 H 1 2.228 0.03 . 1 . . . . 20 MET HB3 . 6919 1 157 . 1 1 20 20 MET HG2 H 1 2.565 0.03 . 1 . . . . 20 MET HG2 . 6919 1 158 . 1 1 20 20 MET HG3 H 1 2.565 0.03 . 1 . . . . 20 MET HG3 . 6919 1 159 . 1 1 20 20 MET HE1 H 1 2.197 0.03 . 1 . . . . 20 MET HE . 6919 1 160 . 1 1 20 20 MET HE2 H 1 2.197 0.03 . 1 . . . . 20 MET HE . 6919 1 161 . 1 1 20 20 MET HE3 H 1 2.197 0.03 . 1 . . . . 20 MET HE . 6919 1 162 . 1 1 20 20 MET C C 13 177.422 0.3 . 1 . . . . 20 MET C . 6919 1 163 . 1 1 20 20 MET CA C 13 57.126 0.3 . 1 . . . . 20 MET CA . 6919 1 164 . 1 1 20 20 MET CB C 13 31.151 0.3 . 1 . . . . 20 MET CB . 6919 1 165 . 1 1 20 20 MET CG C 13 32.879 0.3 . 1 . . . . 20 MET CG . 6919 1 166 . 1 1 20 20 MET CE C 13 17.698 0.3 . 1 . . . . 20 MET CE . 6919 1 167 . 1 1 21 21 VAL H H 1 8.426 0.03 . 1 . . . . 21 VAL H . 6919 1 168 . 1 1 21 21 VAL HA H 1 3.314 0.03 . 1 . . . . 21 VAL HA . 6919 1 169 . 1 1 21 21 VAL HB H 1 2.238 0.03 . 1 . . . . 21 VAL HB . 6919 1 170 . 1 1 21 21 VAL HG11 H 1 0.919 0.03 . 1 . . . . 21 VAL HG1 . 6919 1 171 . 1 1 21 21 VAL HG12 H 1 0.919 0.03 . 1 . . . . 21 VAL HG1 . 6919 1 172 . 1 1 21 21 VAL HG13 H 1 0.919 0.03 . 1 . . . . 21 VAL HG1 . 6919 1 173 . 1 1 21 21 VAL HG21 H 1 0.929 0.03 . 1 . . . . 21 VAL HG2 . 6919 1 174 . 1 1 21 21 VAL HG22 H 1 0.929 0.03 . 1 . . . . 21 VAL HG2 . 6919 1 175 . 1 1 21 21 VAL HG23 H 1 0.929 0.03 . 1 . . . . 21 VAL HG2 . 6919 1 176 . 1 1 21 21 VAL C C 13 179.234 0.3 . 1 . . . . 21 VAL C . 6919 1 177 . 1 1 21 21 VAL CA C 13 67.649 0.3 . 1 . . . . 21 VAL CA . 6919 1 178 . 1 1 21 21 VAL CB C 13 31.768 0.3 . 1 . . . . 21 VAL CB . 6919 1 179 . 1 1 21 21 VAL CG1 C 13 24.566 0.3 . 1 . . . . 21 VAL CG1 . 6919 1 180 . 1 1 21 21 VAL CG2 C 13 21.387 0.3 . 1 . . . . 21 VAL CG2 . 6919 1 181 . 1 1 21 21 VAL N N 15 119.856 0.3 . 1 . . . . 21 VAL N . 6919 1 182 . 1 1 22 22 VAL HA H 1 3.418 0.03 . 1 . . . . 22 VAL HA . 6919 1 183 . 1 1 22 22 VAL HB H 1 2.200 0.03 . 1 . . . . 22 VAL HB . 6919 1 184 . 1 1 22 22 VAL HG11 H 1 0.900 0.03 . 1 . . . . 22 VAL HG1 . 6919 1 185 . 1 1 22 22 VAL HG12 H 1 0.900 0.03 . 1 . . . . 22 VAL HG1 . 6919 1 186 . 1 1 22 22 VAL HG13 H 1 0.900 0.03 . 1 . . . . 22 VAL HG1 . 6919 1 187 . 1 1 22 22 VAL HG21 H 1 1.050 0.03 . 1 . . . . 22 VAL HG2 . 6919 1 188 . 1 1 22 22 VAL HG22 H 1 1.050 0.03 . 1 . . . . 22 VAL HG2 . 6919 1 189 . 1 1 22 22 VAL HG23 H 1 1.050 0.03 . 1 . . . . 22 VAL HG2 . 6919 1 190 . 1 1 22 22 VAL C C 13 174.143 0.3 . 1 . . . . 22 VAL C . 6919 1 191 . 1 1 22 22 VAL CA C 13 66.590 0.3 . 1 . . . . 22 VAL CA . 6919 1 192 . 1 1 23 23 LYS H H 1 7.614 0.03 . 1 . . . . 23 LYS H . 6919 1 193 . 1 1 23 23 LYS HA H 1 4.105 0.03 . 1 . . . . 23 LYS HA . 6919 1 194 . 1 1 23 23 LYS HB2 H 1 1.846 0.03 . 1 . . . . 23 LYS HB2 . 6919 1 195 . 1 1 23 23 LYS HB3 H 1 1.846 0.03 . 1 . . . . 23 LYS HB3 . 6919 1 196 . 1 1 23 23 LYS HG2 H 1 1.385 0.03 . 1 . . . . 23 LYS HG2 . 6919 1 197 . 1 1 23 23 LYS HG3 H 1 1.506 0.03 . 1 . . . . 23 LYS HG3 . 6919 1 198 . 1 1 23 23 LYS HD2 H 1 1.709 0.03 . 1 . . . . 23 LYS HD2 . 6919 1 199 . 1 1 23 23 LYS HD3 H 1 1.709 0.03 . 1 . . . . 23 LYS HD3 . 6919 1 200 . 1 1 23 23 LYS HE2 H 1 3.002 0.03 . 1 . . . . 23 LYS HE2 . 6919 1 201 . 1 1 23 23 LYS HE3 H 1 3.002 0.03 . 1 . . . . 23 LYS HE3 . 6919 1 202 . 1 1 23 23 LYS C C 13 179.503 0.3 . 1 . . . . 23 LYS C . 6919 1 203 . 1 1 23 23 LYS CA C 13 59.663 0.3 . 1 . . . . 23 LYS CA . 6919 1 204 . 1 1 23 23 LYS CB C 13 31.971 0.3 . 1 . . . . 23 LYS CB . 6919 1 205 . 1 1 23 23 LYS CG C 13 25.298 0.3 . 1 . . . . 23 LYS CG . 6919 1 206 . 1 1 23 23 LYS CD C 13 29.153 0.3 . 1 . . . . 23 LYS CD . 6919 1 207 . 1 1 23 23 LYS CE C 13 41.957 0.3 . 1 . . . . 23 LYS CE . 6919 1 208 . 1 1 23 23 LYS N N 15 118.864 0.3 . 1 . . . . 23 LYS N . 6919 1 209 . 1 1 24 24 ILE H H 1 8.607 0.03 . 1 . . . . 24 ILE H . 6919 1 210 . 1 1 24 24 ILE HA H 1 3.345 0.03 . 1 . . . . 24 ILE HA . 6919 1 211 . 1 1 24 24 ILE HB H 1 1.717 0.03 . 1 . . . . 24 ILE HB . 6919 1 212 . 1 1 24 24 ILE HG12 H 1 0.906 0.03 . 2 . . . . 24 ILE HG12 . 6919 1 213 . 1 1 24 24 ILE HG13 H 1 1.864 0.03 . 2 . . . . 24 ILE HG13 . 6919 1 214 . 1 1 24 24 ILE HG21 H 1 0.213 0.03 . 1 . . . . 24 ILE HG2 . 6919 1 215 . 1 1 24 24 ILE HG22 H 1 0.213 0.03 . 1 . . . . 24 ILE HG2 . 6919 1 216 . 1 1 24 24 ILE HG23 H 1 0.213 0.03 . 1 . . . . 24 ILE HG2 . 6919 1 217 . 1 1 24 24 ILE HD11 H 1 0.401 0.03 . 1 . . . . 24 ILE HD1 . 6919 1 218 . 1 1 24 24 ILE HD12 H 1 0.401 0.03 . 1 . . . . 24 ILE HD1 . 6919 1 219 . 1 1 24 24 ILE HD13 H 1 0.401 0.03 . 1 . . . . 24 ILE HD1 . 6919 1 220 . 1 1 24 24 ILE C C 13 177.425 0.3 . 1 . . . . 24 ILE C . 6919 1 221 . 1 1 24 24 ILE CA C 13 66.112 0.3 . 1 . . . . 24 ILE CA . 6919 1 222 . 1 1 24 24 ILE CB C 13 38.698 0.3 . 1 . . . . 24 ILE CB . 6919 1 223 . 1 1 24 24 ILE CG1 C 13 29.813 0.3 . 1 . . . . 24 ILE CG1 . 6919 1 224 . 1 1 24 24 ILE CG2 C 13 19.011 0.3 . 1 . . . . 24 ILE CG2 . 6919 1 225 . 1 1 24 24 ILE CD1 C 13 15.393 0.3 . 1 . . . . 24 ILE CD1 . 6919 1 226 . 1 1 24 24 ILE N N 15 120.698 0.3 . 1 . . . . 24 ILE N . 6919 1 227 . 1 1 25 25 ILE H H 1 8.232 0.03 . 1 . . . . 25 ILE H . 6919 1 228 . 1 1 25 25 ILE HA H 1 3.304 0.03 . 1 . . . . 25 ILE HA . 6919 1 229 . 1 1 25 25 ILE HB H 1 1.938 0.03 . 1 . . . . 25 ILE HB . 6919 1 230 . 1 1 25 25 ILE HG12 H 1 1.051 0.03 . 2 . . . . 25 ILE HG12 . 6919 1 231 . 1 1 25 25 ILE HG13 H 1 1.756 0.03 . 2 . . . . 25 ILE HG13 . 6919 1 232 . 1 1 25 25 ILE HG21 H 1 0.831 0.03 . 1 . . . . 25 ILE HG2 . 6919 1 233 . 1 1 25 25 ILE HG22 H 1 0.831 0.03 . 1 . . . . 25 ILE HG2 . 6919 1 234 . 1 1 25 25 ILE HG23 H 1 0.831 0.03 . 1 . . . . 25 ILE HG2 . 6919 1 235 . 1 1 25 25 ILE HD11 H 1 0.861 0.03 . 1 . . . . 25 ILE HD1 . 6919 1 236 . 1 1 25 25 ILE HD12 H 1 0.861 0.03 . 1 . . . . 25 ILE HD1 . 6919 1 237 . 1 1 25 25 ILE HD13 H 1 0.861 0.03 . 1 . . . . 25 ILE HD1 . 6919 1 238 . 1 1 25 25 ILE C C 13 177.177 0.3 . 1 . . . . 25 ILE C . 6919 1 239 . 1 1 25 25 ILE CA C 13 65.611 0.3 . 1 . . . . 25 ILE CA . 6919 1 240 . 1 1 25 25 ILE CB C 13 37.352 0.3 . 1 . . . . 25 ILE CB . 6919 1 241 . 1 1 25 25 ILE CG1 C 13 29.838 0.3 . 1 . . . . 25 ILE CG1 . 6919 1 242 . 1 1 25 25 ILE CG2 C 13 17.428 0.3 . 1 . . . . 25 ILE CG2 . 6919 1 243 . 1 1 25 25 ILE CD1 C 13 14.068 0.3 . 1 . . . . 25 ILE CD1 . 6919 1 244 . 1 1 25 25 ILE N N 15 118.559 0.3 . 1 . . . . 25 ILE N . 6919 1 245 . 1 1 26 26 ASP H H 1 8.099 0.03 . 1 . . . . 26 ASP H . 6919 1 246 . 1 1 26 26 ASP HA H 1 4.288 0.03 . 1 . . . . 26 ASP HA . 6919 1 247 . 1 1 26 26 ASP HB2 H 1 2.656 0.03 . 2 . . . . 26 ASP HB2 . 6919 1 248 . 1 1 26 26 ASP HB3 H 1 2.769 0.03 . 2 . . . . 26 ASP HB3 . 6919 1 249 . 1 1 26 26 ASP C C 13 179.645 0.3 . 1 . . . . 26 ASP C . 6919 1 250 . 1 1 26 26 ASP CA C 13 57.807 0.3 . 1 . . . . 26 ASP CA . 6919 1 251 . 1 1 26 26 ASP CB C 13 40.720 0.3 . 1 . . . . 26 ASP CB . 6919 1 252 . 1 1 26 26 ASP N N 15 118.264 0.3 . 1 . . . . 26 ASP N . 6919 1 253 . 1 1 27 27 VAL H H 1 8.009 0.03 . 1 . . . . 27 VAL H . 6919 1 254 . 1 1 27 27 VAL HA H 1 3.683 0.03 . 1 . . . . 27 VAL HA . 6919 1 255 . 1 1 27 27 VAL HB H 1 2.387 0.03 . 1 . . . . 27 VAL HB . 6919 1 256 . 1 1 27 27 VAL HG11 H 1 1.051 0.03 . 1 . . . . 27 VAL HG1 . 6919 1 257 . 1 1 27 27 VAL HG12 H 1 1.051 0.03 . 1 . . . . 27 VAL HG1 . 6919 1 258 . 1 1 27 27 VAL HG13 H 1 1.051 0.03 . 1 . . . . 27 VAL HG1 . 6919 1 259 . 1 1 27 27 VAL HG21 H 1 1.176 0.03 . 1 . . . . 27 VAL HG2 . 6919 1 260 . 1 1 27 27 VAL HG22 H 1 1.176 0.03 . 1 . . . . 27 VAL HG2 . 6919 1 261 . 1 1 27 27 VAL HG23 H 1 1.176 0.03 . 1 . . . . 27 VAL HG2 . 6919 1 262 . 1 1 27 27 VAL C C 13 179.003 0.3 . 1 . . . . 27 VAL C . 6919 1 263 . 1 1 27 27 VAL CA C 13 66.530 0.3 . 1 . . . . 27 VAL CA . 6919 1 264 . 1 1 27 27 VAL CB C 13 31.671 0.3 . 1 . . . . 27 VAL CB . 6919 1 265 . 1 1 27 27 VAL CG1 C 13 22.012 0.3 . 1 . . . . 27 VAL CG1 . 6919 1 266 . 1 1 27 27 VAL CG2 C 13 23.560 0.3 . 1 . . . . 27 VAL CG2 . 6919 1 267 . 1 1 27 27 VAL N N 15 121.076 0.3 . 1 . . . . 27 VAL N . 6919 1 268 . 1 1 28 28 LEU H H 1 8.452 0.03 . 1 . . . . 28 LEU H . 6919 1 269 . 1 1 28 28 LEU HA H 1 4.123 0.03 . 1 . . . . 28 LEU HA . 6919 1 270 . 1 1 28 28 LEU HB2 H 1 1.923 0.03 . 1 . . . . 28 LEU HB2 . 6919 1 271 . 1 1 28 28 LEU HB3 H 1 1.923 0.03 . 1 . . . . 28 LEU HB3 . 6919 1 272 . 1 1 28 28 LEU HG H 1 2.002 0.03 . 1 . . . . 28 LEU HG . 6919 1 273 . 1 1 28 28 LEU HD11 H 1 0.641 0.03 . 1 . . . . 28 LEU HD1 . 6919 1 274 . 1 1 28 28 LEU HD12 H 1 0.641 0.03 . 1 . . . . 28 LEU HD1 . 6919 1 275 . 1 1 28 28 LEU HD13 H 1 0.641 0.03 . 1 . . . . 28 LEU HD1 . 6919 1 276 . 1 1 28 28 LEU HD21 H 1 1.080 0.03 . 1 . . . . 28 LEU HD2 . 6919 1 277 . 1 1 28 28 LEU HD22 H 1 1.080 0.03 . 1 . . . . 28 LEU HD2 . 6919 1 278 . 1 1 28 28 LEU HD23 H 1 1.080 0.03 . 1 . . . . 28 LEU HD2 . 6919 1 279 . 1 1 28 28 LEU C C 13 179.742 0.3 . 1 . . . . 28 LEU C . 6919 1 280 . 1 1 28 28 LEU CA C 13 57.954 0.3 . 1 . . . . 28 LEU CA . 6919 1 281 . 1 1 28 28 LEU CB C 13 42.672 0.3 . 1 . . . . 28 LEU CB . 6919 1 282 . 1 1 28 28 LEU CG C 13 26.880 0.3 . 1 . . . . 28 LEU CG . 6919 1 283 . 1 1 28 28 LEU CD1 C 13 27.539 0.3 . 1 . . . . 28 LEU CD1 . 6919 1 284 . 1 1 28 28 LEU CD2 C 13 23.258 0.3 . 1 . . . . 28 LEU CD2 . 6919 1 285 . 1 1 28 28 LEU N N 15 120.574 0.3 . 1 . . . . 28 LEU N . 6919 1 286 . 1 1 29 29 ARG H H 1 8.980 0.03 . 1 . . . . 29 ARG H . 6919 1 287 . 1 1 29 29 ARG HA H 1 4.170 0.03 . 1 . . . . 29 ARG HA . 6919 1 288 . 1 1 29 29 ARG HB2 H 1 1.990 0.03 . 1 . . . . 29 ARG HB2 . 6919 1 289 . 1 1 29 29 ARG HB3 H 1 1.990 0.03 . 1 . . . . 29 ARG HB3 . 6919 1 290 . 1 1 29 29 ARG HG2 H 1 0.940 0.03 . 1 . . . . 29 ARG HG2 . 6919 1 291 . 1 1 29 29 ARG HG3 H 1 0.940 0.03 . 1 . . . . 29 ARG HG3 . 6919 1 292 . 1 1 29 29 ARG C C 13 179.271 0.3 . 1 . . . . 29 ARG C . 6919 1 293 . 1 1 29 29 ARG N N 15 121.990 0.3 . 1 . . . . 29 ARG N . 6919 1 294 . 1 1 30 30 SER H H 1 8.066 0.03 . 1 . . . . 30 SER H . 6919 1 295 . 1 1 30 30 SER HA H 1 4.167 0.03 . 1 . . . . 30 SER HA . 6919 1 296 . 1 1 30 30 SER HB2 H 1 3.918 0.03 . 2 . . . . 30 SER HB2 . 6919 1 297 . 1 1 30 30 SER HB3 H 1 4.006 0.03 . 2 . . . . 30 SER HB3 . 6919 1 298 . 1 1 30 30 SER C C 13 177.349 0.3 . 1 . . . . 30 SER C . 6919 1 299 . 1 1 30 30 SER CA C 13 61.966 0.3 . 1 . . . . 30 SER CA . 6919 1 300 . 1 1 30 30 SER CB C 13 62.025 0.3 . 1 . . . . 30 SER CB . 6919 1 301 . 1 1 30 30 SER N N 15 115.103 0.3 . 1 . . . . 30 SER N . 6919 1 302 . 1 1 31 31 HIS H H 1 8.364 0.03 . 1 . . . . 31 HIS H . 6919 1 303 . 1 1 31 31 HIS HA H 1 4.386 0.03 . 1 . . . . 31 HIS HA . 6919 1 304 . 1 1 31 31 HIS HB2 H 1 3.361 0.03 . 1 . . . . 31 HIS HB2 . 6919 1 305 . 1 1 31 31 HIS HB3 H 1 3.361 0.03 . 1 . . . . 31 HIS HB3 . 6919 1 306 . 1 1 31 31 HIS HD2 H 1 7.081 0.03 . 1 . . . . 31 HIS HD2 . 6919 1 307 . 1 1 31 31 HIS HE1 H 1 8.125 0.03 . 1 . . . . 31 HIS HE1 . 6919 1 308 . 1 1 31 31 HIS C C 13 176.649 0.3 . 1 . . . . 31 HIS C . 6919 1 309 . 1 1 31 31 HIS CA C 13 59.736 0.3 . 1 . . . . 31 HIS CA . 6919 1 310 . 1 1 31 31 HIS CB C 13 29.904 0.3 . 1 . . . . 31 HIS CB . 6919 1 311 . 1 1 31 31 HIS CD2 C 13 117.766 0.3 . 1 . . . . 31 HIS CD2 . 6919 1 312 . 1 1 31 31 HIS CE1 C 13 137.055 0.3 . 1 . . . . 31 HIS CE1 . 6919 1 313 . 1 1 31 31 HIS N N 15 122.826 0.3 . 1 . . . . 31 HIS N . 6919 1 314 . 1 1 32 32 ASN H H 1 8.159 0.03 . 1 . . . . 32 ASN H . 6919 1 315 . 1 1 32 32 ASN HA H 1 4.293 0.03 . 1 . . . . 32 ASN HA . 6919 1 316 . 1 1 32 32 ASN HB2 H 1 2.850 0.03 . 2 . . . . 32 ASN HB2 . 6919 1 317 . 1 1 32 32 ASN HB3 H 1 2.790 0.03 . 2 . . . . 32 ASN HB3 . 6919 1 318 . 1 1 32 32 ASN HD21 H 1 7.211 0.03 . 2 . . . . 32 ASN HD21 . 6919 1 319 . 1 1 32 32 ASN HD22 H 1 8.150 0.03 . 2 . . . . 32 ASN HD22 . 6919 1 320 . 1 1 32 32 ASN C C 13 177.673 0.3 . 1 . . . . 32 ASN C . 6919 1 321 . 1 1 32 32 ASN CA C 13 57.854 0.3 . 1 . . . . 32 ASN CA . 6919 1 322 . 1 1 32 32 ASN CB C 13 40.776 0.3 . 1 . . . . 32 ASN CB . 6919 1 323 . 1 1 32 32 ASN N N 15 115.287 0.3 . 1 . . . . 32 ASN N . 6919 1 324 . 1 1 32 32 ASN ND2 N 15 118.165 0.3 . 1 . . . . 32 ASN ND2 . 6919 1 325 . 1 1 33 33 GLU H H 1 7.885 0.03 . 1 . . . . 33 GLU H . 6919 1 326 . 1 1 33 33 GLU HA H 1 3.946 0.03 . 1 . . . . 33 GLU HA . 6919 1 327 . 1 1 33 33 GLU HB2 H 1 2.136 0.03 . 2 . . . . 33 GLU HB2 . 6919 1 328 . 1 1 33 33 GLU HB3 H 1 2.043 0.03 . 2 . . . . 33 GLU HB3 . 6919 1 329 . 1 1 33 33 GLU HG2 H 1 2.237 0.03 . 2 . . . . 33 GLU HG2 . 6919 1 330 . 1 1 33 33 GLU HG3 H 1 2.388 0.03 . 2 . . . . 33 GLU HG3 . 6919 1 331 . 1 1 33 33 GLU C C 13 179.364 0.3 . 1 . . . . 33 GLU C . 6919 1 332 . 1 1 33 33 GLU CA C 13 59.400 0.3 . 1 . . . . 33 GLU CA . 6919 1 333 . 1 1 33 33 GLU CB C 13 29.163 0.3 . 1 . . . . 33 GLU CB . 6919 1 334 . 1 1 33 33 GLU CG C 13 36.278 0.3 . 1 . . . . 33 GLU CG . 6919 1 335 . 1 1 33 33 GLU N N 15 118.481 0.3 . 1 . . . . 33 GLU N . 6919 1 336 . 1 1 34 34 ALA H H 1 7.880 0.03 . 1 . . . . 34 ALA H . 6919 1 337 . 1 1 34 34 ALA HA H 1 4.129 0.03 . 1 . . . . 34 ALA HA . 6919 1 338 . 1 1 34 34 ALA HB1 H 1 1.435 0.03 . 1 . . . . 34 ALA HB . 6919 1 339 . 1 1 34 34 ALA HB2 H 1 1.435 0.03 . 1 . . . . 34 ALA HB . 6919 1 340 . 1 1 34 34 ALA HB3 H 1 1.435 0.03 . 1 . . . . 34 ALA HB . 6919 1 341 . 1 1 34 34 ALA C C 13 180.738 0.3 . 1 . . . . 34 ALA C . 6919 1 342 . 1 1 34 34 ALA CA C 13 55.060 0.3 . 1 . . . . 34 ALA CA . 6919 1 343 . 1 1 34 34 ALA CB C 13 18.032 0.3 . 1 . . . . 34 ALA CB . 6919 1 344 . 1 1 34 34 ALA N N 15 123.067 0.3 . 1 . . . . 34 ALA N . 6919 1 345 . 1 1 35 35 CYS H H 1 7.926 0.03 . 1 . . . . 35 CYS H . 6919 1 346 . 1 1 35 35 CYS HA H 1 4.198 0.03 . 1 . . . . 35 CYS HA . 6919 1 347 . 1 1 35 35 CYS HB2 H 1 2.803 0.03 . 2 . . . . 35 CYS HB2 . 6919 1 348 . 1 1 35 35 CYS HB3 H 1 2.956 0.03 . 2 . . . . 35 CYS HB3 . 6919 1 349 . 1 1 35 35 CYS C C 13 175.597 0.3 . 1 . . . . 35 CYS C . 6919 1 350 . 1 1 35 35 CYS CA C 13 61.966 0.3 . 1 . . . . 35 CYS CA . 6919 1 351 . 1 1 35 35 CYS CB C 13 26.893 0.3 . 1 . . . . 35 CYS CB . 6919 1 352 . 1 1 35 35 CYS N N 15 116.159 0.3 . 1 . . . . 35 CYS N . 6919 1 353 . 1 1 36 36 GLN H H 1 7.531 0.03 . 1 . . . . 36 GLN H . 6919 1 354 . 1 1 36 36 GLN HA H 1 3.999 0.03 . 1 . . . . 36 GLN HA . 6919 1 355 . 1 1 36 36 GLN HB2 H 1 2.169 0.03 . 1 . . . . 36 GLN HB2 . 6919 1 356 . 1 1 36 36 GLN HB3 H 1 2.169 0.03 . 1 . . . . 36 GLN HB3 . 6919 1 357 . 1 1 36 36 GLN HG2 H 1 2.518 0.03 . 1 . . . . 36 GLN HG2 . 6919 1 358 . 1 1 36 36 GLN HG3 H 1 2.518 0.03 . 1 . . . . 36 GLN HG3 . 6919 1 359 . 1 1 36 36 GLN HE21 H 1 6.891 0.03 . 2 . . . . 36 GLN HE21 . 6919 1 360 . 1 1 36 36 GLN HE22 H 1 7.298 0.03 . 2 . . . . 36 GLN HE22 . 6919 1 361 . 1 1 36 36 GLN C C 13 177.038 0.3 . 1 . . . . 36 GLN C . 6919 1 362 . 1 1 36 36 GLN CA C 13 57.569 0.3 . 1 . . . . 36 GLN CA . 6919 1 363 . 1 1 36 36 GLN CB C 13 28.186 0.3 . 1 . . . . 36 GLN CB . 6919 1 364 . 1 1 36 36 GLN CG C 13 33.795 0.3 . 1 . . . . 36 GLN CG . 6919 1 365 . 1 1 36 36 GLN N N 15 116.694 0.3 . 1 . . . . 36 GLN N . 6919 1 366 . 1 1 36 36 GLN NE2 N 15 112.286 0.3 . 1 . . . . 36 GLN NE2 . 6919 1 367 . 1 1 37 37 GLU H H 1 7.155 0.03 . 1 . . . . 37 GLU H . 6919 1 368 . 1 1 37 37 GLU HA H 1 4.367 0.03 . 1 . . . . 37 GLU HA . 6919 1 369 . 1 1 37 37 GLU HB2 H 1 1.904 0.03 . 2 . . . . 37 GLU HB2 . 6919 1 370 . 1 1 37 37 GLU HB3 H 1 2.132 0.03 . 2 . . . . 37 GLU HB3 . 6919 1 371 . 1 1 37 37 GLU HG2 H 1 2.208 0.03 . 2 . . . . 37 GLU HG1 . 6919 1 372 . 1 1 37 37 GLU HG3 H 1 2.297 0.03 . 2 . . . . 37 GLU HG2 . 6919 1 373 . 1 1 37 37 GLU C C 13 175.652 0.3 . 1 . . . . 37 GLU C . 6919 1 374 . 1 1 37 37 GLU CA C 13 56.339 0.3 . 1 . . . . 37 GLU CA . 6919 1 375 . 1 1 37 37 GLU CB C 13 31.012 0.3 . 1 . . . . 37 GLU CB . 6919 1 376 . 1 1 37 37 GLU CG C 13 36.062 0.3 . 1 . . . . 37 GLU CG . 6919 1 377 . 1 1 37 37 GLU N N 15 114.706 0.3 . 1 . . . . 37 GLU N . 6919 1 378 . 1 1 38 38 ASN H H 1 7.605 0.03 . 1 . . . . 38 ASN H . 6919 1 379 . 1 1 38 38 ASN HA H 1 4.845 0.03 . 1 . . . . 38 ASN HA . 6919 1 380 . 1 1 38 38 ASN HB2 H 1 2.661 0.03 . 2 . . . . 38 ASN HB2 . 6919 1 381 . 1 1 38 38 ASN HB3 H 1 2.909 0.03 . 2 . . . . 38 ASN HB3 . 6919 1 382 . 1 1 38 38 ASN HD21 H 1 7.091 0.03 . 2 . . . . 38 ASN HD21 . 6919 1 383 . 1 1 38 38 ASN HD22 H 1 7.617 0.03 . 2 . . . . 38 ASN HD22 . 6919 1 384 . 1 1 38 38 ASN C C 13 174.802 0.3 . 1 . . . . 38 ASN C . 6919 1 385 . 1 1 38 38 ASN CA C 13 52.026 0.3 . 1 . . . . 38 ASN CA . 6919 1 386 . 1 1 38 38 ASN CB C 13 38.521 0.3 . 1 . . . . 38 ASN CB . 6919 1 387 . 1 1 38 38 ASN N N 15 110.613 0.3 . 1 . . . . 38 ASN N . 6919 1 388 . 1 1 38 38 ASN ND2 N 15 117.086 0.3 . 1 . . . . 38 ASN ND2 . 6919 1 389 . 1 1 39 39 LYS H H 1 8.531 0.03 . 1 . . . . 39 LYS H . 6919 1 390 . 1 1 39 39 LYS HA H 1 4.312 0.03 . 1 . . . . 39 LYS HA . 6919 1 391 . 1 1 39 39 LYS HB2 H 1 1.832 0.03 . 2 . . . . 39 LYS HB2 . 6919 1 392 . 1 1 39 39 LYS HB3 H 1 1.953 0.03 . 2 . . . . 39 LYS HB3 . 6919 1 393 . 1 1 39 39 LYS HG2 H 1 1.477 0.03 . 1 . . . . 39 LYS HG2 . 6919 1 394 . 1 1 39 39 LYS HG3 H 1 1.477 0.03 . 1 . . . . 39 LYS HG3 . 6919 1 395 . 1 1 39 39 LYS HD2 H 1 1.703 0.03 . 1 . . . . 39 LYS HD2 . 6919 1 396 . 1 1 39 39 LYS HD3 H 1 1.704 0.03 . 1 . . . . 39 LYS HD3 . 6919 1 397 . 1 1 39 39 LYS HE2 H 1 3.025 0.03 . 2 . . . . 39 LYS HE2 . 6919 1 398 . 1 1 39 39 LYS HE3 H 1 3.102 0.03 . 2 . . . . 39 LYS HE3 . 6919 1 399 . 1 1 39 39 LYS C C 13 176.489 0.3 . 1 . . . . 39 LYS C . 6919 1 400 . 1 1 39 39 LYS CA C 13 57.153 0.3 . 1 . . . . 39 LYS CA . 6919 1 401 . 1 1 39 39 LYS CB C 13 31.595 0.3 . 1 . . . . 39 LYS CB . 6919 1 402 . 1 1 39 39 LYS CG C 13 24.605 0.3 . 1 . . . . 39 LYS CG . 6919 1 403 . 1 1 39 39 LYS CD C 13 28.885 0.3 . 1 . . . . 39 LYS CD . 6919 1 404 . 1 1 39 39 LYS CE C 13 42.328 0.3 . 1 . . . . 39 LYS CE . 6919 1 405 . 1 1 39 39 LYS N N 15 121.900 0.3 . 1 . . . . 39 LYS N . 6919 1 406 . 1 1 40 40 ASP H H 1 8.200 0.03 . 1 . . . . 40 ASP H . 6919 1 407 . 1 1 40 40 ASP HA H 1 4.627 0.03 . 1 . . . . 40 ASP HA . 6919 1 408 . 1 1 40 40 ASP HB2 H 1 2.645 0.03 . 2 . . . . 40 ASP HB2 . 6919 1 409 . 1 1 40 40 ASP HB3 H 1 2.732 0.03 . 2 . . . . 40 ASP HB3 . 6919 1 410 . 1 1 40 40 ASP C C 13 176.644 0.3 . 1 . . . . 40 ASP C . 6919 1 411 . 1 1 40 40 ASP CA C 13 54.932 0.3 . 1 . . . . 40 ASP CA . 6919 1 412 . 1 1 40 40 ASP CB C 13 41.034 0.3 . 1 . . . . 40 ASP CB . 6919 1 413 . 1 1 40 40 ASP N N 15 117.308 0.3 . 1 . . . . 40 ASP N . 6919 1 414 . 1 1 41 41 LEU H H 1 7.202 0.03 . 1 . . . . 41 LEU H . 6919 1 415 . 1 1 41 41 LEU HA H 1 4.296 0.03 . 1 . . . . 41 LEU HA . 6919 1 416 . 1 1 41 41 LEU HB2 H 1 1.463 0.03 . 2 . . . . 41 LEU HB2 . 6919 1 417 . 1 1 41 41 LEU HB3 H 1 1.739 0.03 . 2 . . . . 41 LEU HB3 . 6919 1 418 . 1 1 41 41 LEU HG H 1 1.546 0.03 . 1 . . . . 41 LEU HG . 6919 1 419 . 1 1 41 41 LEU HD11 H 1 0.844 0.03 . 1 . . . . 41 LEU HD1 . 6919 1 420 . 1 1 41 41 LEU HD12 H 1 0.844 0.03 . 1 . . . . 41 LEU HD1 . 6919 1 421 . 1 1 41 41 LEU HD13 H 1 0.844 0.03 . 1 . . . . 41 LEU HD1 . 6919 1 422 . 1 1 41 41 LEU HD21 H 1 0.793 0.03 . 1 . . . . 41 LEU HD2 . 6919 1 423 . 1 1 41 41 LEU HD22 H 1 0.793 0.03 . 1 . . . . 41 LEU HD2 . 6919 1 424 . 1 1 41 41 LEU HD23 H 1 0.793 0.03 . 1 . . . . 41 LEU HD2 . 6919 1 425 . 1 1 41 41 LEU C C 13 176.871 0.3 . 1 . . . . 41 LEU C . 6919 1 426 . 1 1 41 41 LEU CA C 13 54.399 0.3 . 1 . . . . 41 LEU CA . 6919 1 427 . 1 1 41 41 LEU CB C 13 43.542 0.3 . 1 . . . . 41 LEU CB . 6919 1 428 . 1 1 41 41 LEU CG C 13 26.941 0.3 . 1 . . . . 41 LEU CG . 6919 1 429 . 1 1 41 41 LEU CD1 C 13 25.293 0.3 . 1 . . . . 41 LEU CD1 . 6919 1 430 . 1 1 41 41 LEU CD2 C 13 22.954 0.3 . 1 . . . . 41 LEU CD2 . 6919 1 431 . 1 1 41 41 LEU N N 15 120.075 0.3 . 1 . . . . 41 LEU N . 6919 1 432 . 1 1 42 42 GLN H H 1 8.635 0.03 . 1 . . . . 42 GLN H . 6919 1 433 . 1 1 42 42 GLN HA H 1 4.562 0.03 . 1 . . . . 42 GLN HA . 6919 1 434 . 1 1 42 42 GLN HB2 H 1 1.587 0.03 . 2 . . . . 42 GLN HB2 . 6919 1 435 . 1 1 42 42 GLN HB3 H 1 1.702 0.03 . 2 . . . . 42 GLN HB3 . 6919 1 436 . 1 1 42 42 GLN HG2 H 1 2.363 0.03 . 1 . . . . 42 GLN HG2 . 6919 1 437 . 1 1 42 42 GLN HG3 H 1 2.363 0.03 . 1 . . . . 42 GLN HG3 . 6919 1 438 . 1 1 42 42 GLN HE21 H 1 6.845 0.03 . 2 . . . . 42 GLN HE21 . 6919 1 439 . 1 1 42 42 GLN HE22 H 1 7.468 0.03 . 2 . . . . 42 GLN HE22 . 6919 1 440 . 1 1 42 42 GLN CA C 13 53.114 0.3 . 1 . . . . 42 GLN CA . 6919 1 441 . 1 1 42 42 GLN CB C 13 28.430 0.3 . 1 . . . . 42 GLN CB . 6919 1 442 . 1 1 42 42 GLN CG C 13 33.377 0.3 . 1 . . . . 42 GLN CG . 6919 1 443 . 1 1 42 42 GLN N N 15 121.961 0.3 . 1 . . . . 42 GLN N . 6919 1 444 . 1 1 42 42 GLN NE2 N 15 111.821 0.3 . 1 . . . . 42 GLN NE2 . 6919 1 445 . 1 1 43 43 PRO HA H 1 4.961 0.03 . 1 . . . . 43 PRO HA . 6919 1 446 . 1 1 43 43 PRO HB2 H 1 2.154 0.03 . 2 . . . . 43 PRO HB2 . 6919 1 447 . 1 1 43 43 PRO HB3 H 1 2.266 0.03 . 2 . . . . 43 PRO HB3 . 6919 1 448 . 1 1 43 43 PRO HG2 H 1 2.192 0.03 . 1 . . . . 43 PRO HG2 . 6919 1 449 . 1 1 43 43 PRO HG3 H 1 2.192 0.03 . 1 . . . . 43 PRO HG3 . 6919 1 450 . 1 1 43 43 PRO HD2 H 1 3.653 0.03 . 1 . . . . 43 PRO HD2 . 6919 1 451 . 1 1 43 43 PRO HD3 H 1 3.817 0.03 . 1 . . . . 43 PRO HD3 . 6919 1 452 . 1 1 43 43 PRO C C 13 175.315 0.3 . 1 . . . . 43 PRO C . 6919 1 453 . 1 1 43 43 PRO CA C 13 64.046 0.3 . 1 . . . . 43 PRO CA . 6919 1 454 . 1 1 43 43 PRO CB C 13 30.831 0.3 . 1 . . . . 43 PRO CB . 6919 1 455 . 1 1 43 43 PRO CG C 13 27.565 0.3 . 1 . . . . 43 PRO CG . 6919 1 456 . 1 1 43 43 PRO CD C 13 50.802 0.3 . 1 . . . . 43 PRO CD . 6919 1 457 . 1 1 44 44 TYR H H 1 7.090 0.03 . 1 . . . . 44 TYR H . 6919 1 458 . 1 1 44 44 TYR HA H 1 5.278 0.03 . 1 . . . . 44 TYR HA . 6919 1 459 . 1 1 44 44 TYR HB2 H 1 2.774 0.03 . 1 . . . . 44 TYR HB2 . 6919 1 460 . 1 1 44 44 TYR HB3 H 1 2.774 0.03 . 1 . . . . 44 TYR HB3 . 6919 1 461 . 1 1 44 44 TYR HD1 H 1 6.740 0.03 . 1 . . . . 44 TYR HD1 . 6919 1 462 . 1 1 44 44 TYR HE1 H 1 6.789 0.03 . 1 . . . . 44 TYR HE1 . 6919 1 463 . 1 1 44 44 TYR C C 13 174.248 0.3 . 1 . . . . 44 TYR C . 6919 1 464 . 1 1 44 44 TYR CA C 13 55.159 0.3 . 1 . . . . 44 TYR CA . 6919 1 465 . 1 1 44 44 TYR CB C 13 40.391 0.3 . 1 . . . . 44 TYR CB . 6919 1 466 . 1 1 44 44 TYR CD1 C 13 132.687 0.3 . 1 . . . . 44 TYR CD1 . 6919 1 467 . 1 1 44 44 TYR CE1 C 13 117.891 0.3 . 1 . . . . 44 TYR CE1 . 6919 1 468 . 1 1 44 44 TYR N N 15 115.276 0.3 . 1 . . . . 44 TYR N . 6919 1 469 . 1 1 45 45 MET H H 1 9.048 0.03 . 1 . . . . 45 MET H . 6919 1 470 . 1 1 45 45 MET HA H 1 4.990 0.03 . 1 . . . . 45 MET HA . 6919 1 471 . 1 1 45 45 MET HB2 H 1 1.801 0.03 . 2 . . . . 45 MET HB2 . 6919 1 472 . 1 1 45 45 MET HB3 H 1 1.867 0.03 . 2 . . . . 45 MET HB3 . 6919 1 473 . 1 1 45 45 MET HG2 H 1 2.065 0.03 . 2 . . . . 45 MET HG2 . 6919 1 474 . 1 1 45 45 MET HG3 H 1 2.143 0.03 . 2 . . . . 45 MET HG3 . 6919 1 475 . 1 1 45 45 MET HE1 H 1 1.786 0.03 . 1 . . . . 45 MET HE . 6919 1 476 . 1 1 45 45 MET HE2 H 1 1.786 0.03 . 1 . . . . 45 MET HE . 6919 1 477 . 1 1 45 45 MET HE3 H 1 1.786 0.03 . 1 . . . . 45 MET HE . 6919 1 478 . 1 1 45 45 MET C C 13 173.327 0.3 . 1 . . . . 45 MET C . 6919 1 479 . 1 1 45 45 MET CA C 13 52.614 0.3 . 1 . . . . 45 MET CA . 6919 1 480 . 1 1 45 45 MET CB C 13 36.223 0.3 . 1 . . . . 45 MET CB . 6919 1 481 . 1 1 45 45 MET CG C 13 30.189 0.3 . 1 . . . . 45 MET CG . 6919 1 482 . 1 1 45 45 MET CE C 13 17.509 0.3 . 1 . . . . 45 MET CE . 6919 1 483 . 1 1 45 45 MET N N 15 116.813 0.3 . 1 . . . . 45 MET N . 6919 1 484 . 1 1 46 46 PRO HA H 1 4.756 0.03 . 1 . . . . 46 PRO HA . 6919 1 485 . 1 1 46 46 PRO HB2 H 1 2.030 0.03 . 2 . . . . 46 PRO HB2 . 6919 1 486 . 1 1 46 46 PRO HB3 H 1 2.820 0.03 . 2 . . . . 46 PRO HB3 . 6919 1 487 . 1 1 46 46 PRO HG2 H 1 1.660 0.03 . 1 . . . . 46 PRO HG2 . 6919 1 488 . 1 1 46 46 PRO HG3 H 1 1.660 0.03 . 1 . . . . 46 PRO HG3 . 6919 1 489 . 1 1 46 46 PRO HD2 H 1 3.524 0.03 . 1 . . . . 46 PRO HD2 . 6919 1 490 . 1 1 46 46 PRO HD3 H 1 3.802 0.03 . 1 . . . . 46 PRO HD3 . 6919 1 491 . 1 1 46 46 PRO C C 13 176.811 0.3 . 1 . . . . 46 PRO C . 6919 1 492 . 1 1 46 46 PRO CA C 13 62.209 0.3 . 1 . . . . 46 PRO CA . 6919 1 493 . 1 1 46 46 PRO CD C 13 51.377 0.3 . 1 . . . . 46 PRO CD . 6919 1 494 . 1 1 47 47 ILE H H 1 8.787 0.03 . 1 . . . . 47 ILE H . 6919 1 495 . 1 1 47 47 ILE HA H 1 3.424 0.03 . 1 . . . . 47 ILE HA . 6919 1 496 . 1 1 47 47 ILE HB H 1 1.559 0.03 . 1 . . . . 47 ILE HB . 6919 1 497 . 1 1 47 47 ILE HG12 H 1 -1.227 0.03 . 2 . . . . 47 ILE HG12 . 6919 1 498 . 1 1 47 47 ILE HG13 H 1 0.579 0.03 . 2 . . . . 47 ILE HG13 . 6919 1 499 . 1 1 47 47 ILE HG21 H 1 0.639 0.03 . 1 . . . . 47 ILE HG2 . 6919 1 500 . 1 1 47 47 ILE HG22 H 1 0.639 0.03 . 1 . . . . 47 ILE HG2 . 6919 1 501 . 1 1 47 47 ILE HG23 H 1 0.639 0.03 . 1 . . . . 47 ILE HG2 . 6919 1 502 . 1 1 47 47 ILE HD11 H 1 0.024 0.03 . 1 . . . . 47 ILE HD1 . 6919 1 503 . 1 1 47 47 ILE HD12 H 1 0.024 0.03 . 1 . . . . 47 ILE HD1 . 6919 1 504 . 1 1 47 47 ILE HD13 H 1 0.024 0.03 . 1 . . . . 47 ILE HD1 . 6919 1 505 . 1 1 47 47 ILE CA C 13 67.806 0.3 . 1 . . . . 47 ILE CA . 6919 1 506 . 1 1 47 47 ILE CB C 13 35.251 0.3 . 1 . . . . 47 ILE CB . 6919 1 507 . 1 1 47 47 ILE CG1 C 13 28.610 0.3 . 1 . . . . 47 ILE CG1 . 6919 1 508 . 1 1 47 47 ILE CG2 C 13 17.414 0.3 . 1 . . . . 47 ILE CG2 . 6919 1 509 . 1 1 47 47 ILE CD1 C 13 13.457 0.3 . 1 . . . . 47 ILE CD1 . 6919 1 510 . 1 1 47 47 ILE N N 15 127.657 0.3 . 1 . . . . 47 ILE N . 6919 1 511 . 1 1 48 48 PRO HA H 1 4.036 0.03 . 1 . . . . 48 PRO HA . 6919 1 512 . 1 1 48 48 PRO HB2 H 1 1.881 0.03 . 2 . . . . 48 PRO HB2 . 6919 1 513 . 1 1 48 48 PRO HB3 H 1 2.345 0.03 . 2 . . . . 48 PRO HB3 . 6919 1 514 . 1 1 48 48 PRO HG2 H 1 2.080 0.03 . 1 . . . . 48 PRO HG2 . 6919 1 515 . 1 1 48 48 PRO HG3 H 1 2.080 0.03 . 1 . . . . 48 PRO HG3 . 6919 1 516 . 1 1 48 48 PRO HD2 H 1 3.630 0.03 . 1 . . . . 48 PRO HD2 . 6919 1 517 . 1 1 48 48 PRO HD3 H 1 3.852 0.03 . 1 . . . . 48 PRO HD3 . 6919 1 518 . 1 1 48 48 PRO C C 13 177.427 0.3 . 1 . . . . 48 PRO C . 6919 1 519 . 1 1 48 48 PRO CA C 13 65.295 0.3 . 1 . . . . 48 PRO CA . 6919 1 520 . 1 1 48 48 PRO CB C 13 31.217 0.3 . 1 . . . . 48 PRO CB . 6919 1 521 . 1 1 48 48 PRO CG C 13 28.905 0.3 . 1 . . . . 48 PRO CG . 6919 1 522 . 1 1 48 48 PRO CD C 13 50.486 0.3 . 1 . . . . 48 PRO CD . 6919 1 523 . 1 1 49 49 HIS H H 1 6.879 0.03 . 1 . . . . 49 HIS H . 6919 1 524 . 1 1 49 49 HIS HA H 1 4.450 0.03 . 1 . . . . 49 HIS HA . 6919 1 525 . 1 1 49 49 HIS HB2 H 1 3.183 0.03 . 2 . . . . 49 HIS HB2 . 6919 1 526 . 1 1 49 49 HIS HB3 H 1 3.242 0.03 . 2 . . . . 49 HIS HB3 . 6919 1 527 . 1 1 49 49 HIS HD2 H 1 6.898 0.03 . 1 . . . . 49 HIS HD2 . 6919 1 528 . 1 1 49 49 HIS HE1 H 1 7.992 0.03 . 1 . . . . 49 HIS HE1 . 6919 1 529 . 1 1 49 49 HIS C C 13 178.576 0.3 . 1 . . . . 49 HIS C . 6919 1 530 . 1 1 49 49 HIS CA C 13 57.733 0.3 . 1 . . . . 49 HIS CA . 6919 1 531 . 1 1 49 49 HIS CB C 13 30.494 0.3 . 1 . . . . 49 HIS CB . 6919 1 532 . 1 1 49 49 HIS CD2 C 13 117.134 0.3 . 1 . . . . 49 HIS CD2 . 6919 1 533 . 1 1 49 49 HIS CE1 C 13 137.914 0.3 . 1 . . . . 49 HIS CE1 . 6919 1 534 . 1 1 49 49 HIS N N 15 112.918 0.3 . 1 . . . . 49 HIS N . 6919 1 535 . 1 1 50 50 VAL H H 1 7.858 0.03 . 1 . . . . 50 VAL H . 6919 1 536 . 1 1 50 50 VAL HA H 1 3.627 0.03 . 1 . . . . 50 VAL HA . 6919 1 537 . 1 1 50 50 VAL HB H 1 2.798 0.03 . 1 . . . . 50 VAL HB . 6919 1 538 . 1 1 50 50 VAL HG11 H 1 1.447 0.03 . 1 . . . . 50 VAL HG1 . 6919 1 539 . 1 1 50 50 VAL HG12 H 1 1.447 0.03 . 1 . . . . 50 VAL HG1 . 6919 1 540 . 1 1 50 50 VAL HG13 H 1 1.447 0.03 . 1 . . . . 50 VAL HG1 . 6919 1 541 . 1 1 50 50 VAL HG21 H 1 1.346 0.03 . 1 . . . . 50 VAL HG2 . 6919 1 542 . 1 1 50 50 VAL HG22 H 1 1.346 0.03 . 1 . . . . 50 VAL HG2 . 6919 1 543 . 1 1 50 50 VAL HG23 H 1 1.346 0.03 . 1 . . . . 50 VAL HG2 . 6919 1 544 . 1 1 50 50 VAL C C 13 177.876 0.3 . 1 . . . . 50 VAL C . 6919 1 545 . 1 1 50 50 VAL CA C 13 66.596 0.3 . 1 . . . . 50 VAL CA . 6919 1 546 . 1 1 50 50 VAL CB C 13 31.877 0.3 . 1 . . . . 50 VAL CB . 6919 1 547 . 1 1 50 50 VAL CG1 C 13 23.084 0.3 . 1 . . . . 50 VAL CG1 . 6919 1 548 . 1 1 50 50 VAL CG2 C 13 23.672 0.3 . 1 . . . . 50 VAL CG2 . 6919 1 549 . 1 1 50 50 VAL N N 15 121.270 0.3 . 1 . . . . 50 VAL N . 6919 1 550 . 1 1 51 51 ARG H H 1 8.159 0.03 . 1 . . . . 51 ARG H . 6919 1 551 . 1 1 51 51 ARG HA H 1 4.440 0.03 . 1 . . . . 51 ARG HA . 6919 1 552 . 1 1 51 51 ARG C C 13 177.865 0.3 . 1 . . . . 51 ARG C . 6919 1 553 . 1 1 51 51 ARG N N 15 121.083 0.3 . 1 . . . . 51 ARG N . 6919 1 554 . 1 1 52 52 ASP H H 1 7.868 0.03 . 1 . . . . 52 ASP H . 6919 1 555 . 1 1 52 52 ASP HA H 1 4.264 0.03 . 1 . . . . 52 ASP HA . 6919 1 556 . 1 1 52 52 ASP HB2 H 1 2.572 0.03 . 2 . . . . 52 ASP HB2 . 6919 1 557 . 1 1 52 52 ASP HB3 H 1 2.620 0.03 . 2 . . . . 52 ASP HB3 . 6919 1 558 . 1 1 52 52 ASP C C 13 177.131 0.3 . 1 . . . . 52 ASP C . 6919 1 559 . 1 1 52 52 ASP CA C 13 56.089 0.3 . 1 . . . . 52 ASP CA . 6919 1 560 . 1 1 52 52 ASP CB C 13 39.687 0.3 . 1 . . . . 52 ASP CB . 6919 1 561 . 1 1 52 52 ASP N N 15 115.746 0.3 . 1 . . . . 52 ASP N . 6919 1 562 . 1 1 53 53 SER H H 1 7.542 0.03 . 1 . . . . 53 SER H . 6919 1 563 . 1 1 53 53 SER HA H 1 4.285 0.03 . 1 . . . . 53 SER HA . 6919 1 564 . 1 1 53 53 SER HB2 H 1 3.864 0.03 . 2 . . . . 53 SER HB2 . 6919 1 565 . 1 1 53 53 SER HB3 H 1 4.000 0.03 . 2 . . . . 53 SER HB3 . 6919 1 566 . 1 1 53 53 SER C C 13 174.949 0.3 . 1 . . . . 53 SER C . 6919 1 567 . 1 1 53 53 SER CA C 13 60.340 0.3 . 1 . . . . 53 SER CA . 6919 1 568 . 1 1 53 53 SER CB C 13 63.114 0.3 . 1 . . . . 53 SER CB . 6919 1 569 . 1 1 53 53 SER N N 15 113.839 0.3 . 1 . . . . 53 SER N . 6919 1 570 . 1 1 54 54 LEU H H 1 7.467 0.03 . 1 . . . . 54 LEU H . 6919 1 571 . 1 1 54 54 LEU HA H 1 4.418 0.03 . 1 . . . . 54 LEU HA . 6919 1 572 . 1 1 54 54 LEU HB2 H 1 1.850 0.03 . 2 . . . . 54 LEU HB2 . 6919 1 573 . 1 1 54 54 LEU HB3 H 1 1.508 0.03 . 2 . . . . 54 LEU HB3 . 6919 1 574 . 1 1 54 54 LEU HG H 1 1.741 0.03 . 1 . . . . 54 LEU HG . 6919 1 575 . 1 1 54 54 LEU HD11 H 1 1.036 0.03 . 1 . . . . 54 LEU HD1 . 6919 1 576 . 1 1 54 54 LEU HD12 H 1 1.036 0.03 . 1 . . . . 54 LEU HD1 . 6919 1 577 . 1 1 54 54 LEU HD13 H 1 1.036 0.03 . 1 . . . . 54 LEU HD1 . 6919 1 578 . 1 1 54 54 LEU HD21 H 1 0.891 0.03 . 1 . . . . 54 LEU HD2 . 6919 1 579 . 1 1 54 54 LEU HD22 H 1 0.891 0.03 . 1 . . . . 54 LEU HD2 . 6919 1 580 . 1 1 54 54 LEU HD23 H 1 0.891 0.03 . 1 . . . . 54 LEU HD2 . 6919 1 581 . 1 1 54 54 LEU C C 13 175.994 0.3 . 1 . . . . 54 LEU C . 6919 1 582 . 1 1 54 54 LEU CA C 13 55.742 0.3 . 1 . . . . 54 LEU CA . 6919 1 583 . 1 1 54 54 LEU CB C 13 44.383 0.3 . 1 . . . . 54 LEU CB . 6919 1 584 . 1 1 54 54 LEU CG C 13 29.622 0.3 . 1 . . . . 54 LEU CG . 6919 1 585 . 1 1 54 54 LEU CD1 C 13 27.185 0.3 . 1 . . . . 54 LEU CD1 . 6919 1 586 . 1 1 54 54 LEU CD2 C 13 23.562 0.3 . 1 . . . . 54 LEU CD2 . 6919 1 587 . 1 1 54 54 LEU N N 15 119.535 0.3 . 1 . . . . 54 LEU N . 6919 1 588 . 1 1 55 55 ILE H H 1 8.074 0.03 . 1 . . . . 55 ILE H . 6919 1 589 . 1 1 55 55 ILE HA H 1 4.240 0.03 . 1 . . . . 55 ILE HA . 6919 1 590 . 1 1 55 55 ILE HB H 1 1.454 0.03 . 1 . . . . 55 ILE HB . 6919 1 591 . 1 1 55 55 ILE HG12 H 1 0.887 0.03 . 2 . . . . 55 ILE HG12 . 6919 1 592 . 1 1 55 55 ILE HG13 H 1 1.542 0.03 . 2 . . . . 55 ILE HG13 . 6919 1 593 . 1 1 55 55 ILE HG21 H 1 0.711 0.03 . 1 . . . . 55 ILE HG2 . 6919 1 594 . 1 1 55 55 ILE HG22 H 1 0.711 0.03 . 1 . . . . 55 ILE HG2 . 6919 1 595 . 1 1 55 55 ILE HG23 H 1 0.711 0.03 . 1 . . . . 55 ILE HG2 . 6919 1 596 . 1 1 55 55 ILE HD11 H 1 0.749 0.03 . 1 . . . . 55 ILE HD1 . 6919 1 597 . 1 1 55 55 ILE HD12 H 1 0.749 0.03 . 1 . . . . 55 ILE HD1 . 6919 1 598 . 1 1 55 55 ILE HD13 H 1 0.749 0.03 . 1 . . . . 55 ILE HD1 . 6919 1 599 . 1 1 55 55 ILE C C 13 175.305 0.3 . 1 . . . . 55 ILE C . 6919 1 600 . 1 1 55 55 ILE CA C 13 60.219 0.3 . 1 . . . . 55 ILE CA . 6919 1 601 . 1 1 55 55 ILE CB C 13 39.420 0.3 . 1 . . . . 55 ILE CB . 6919 1 602 . 1 1 55 55 ILE CG1 C 13 26.524 0.3 . 1 . . . . 55 ILE CG1 . 6919 1 603 . 1 1 55 55 ILE CG2 C 13 18.357 0.3 . 1 . . . . 55 ILE CG2 . 6919 1 604 . 1 1 55 55 ILE CD1 C 13 14.737 0.3 . 1 . . . . 55 ILE CD1 . 6919 1 605 . 1 1 55 55 ILE N N 15 120.539 0.3 . 1 . . . . 55 ILE N . 6919 1 606 . 1 1 56 56 GLN H H 1 9.175 0.03 . 1 . . . . 56 GLN H . 6919 1 607 . 1 1 56 56 GLN HA H 1 4.388 0.03 . 1 . . . . 56 GLN HA . 6919 1 608 . 1 1 56 56 GLN HB2 H 1 1.640 0.03 . 2 . . . . 56 GLN HB2 . 6919 1 609 . 1 1 56 56 GLN HB3 H 1 2.110 0.03 . 2 . . . . 56 GLN HB3 . 6919 1 610 . 1 1 56 56 GLN HG2 H 1 2.449 0.03 . 1 . . . . 56 GLN HG2 . 6919 1 611 . 1 1 56 56 GLN HG3 H 1 2.449 0.03 . 1 . . . . 56 GLN HG3 . 6919 1 612 . 1 1 56 56 GLN HE21 H 1 6.851 0.03 . 2 . . . . 56 GLN HE21 . 6919 1 613 . 1 1 56 56 GLN HE22 H 1 7.548 0.03 . 2 . . . . 56 GLN HE22 . 6919 1 614 . 1 1 56 56 GLN CA C 13 55.107 0.3 . 1 . . . . 56 GLN CA . 6919 1 615 . 1 1 56 56 GLN CB C 13 27.150 0.3 . 1 . . . . 56 GLN CB . 6919 1 616 . 1 1 56 56 GLN CG C 13 33.900 0.3 . 1 . . . . 56 GLN CG . 6919 1 617 . 1 1 56 56 GLN N N 15 127.628 0.3 . 1 . . . . 56 GLN N . 6919 1 618 . 1 1 56 56 GLN NE2 N 15 112.743 0.3 . 1 . . . . 56 GLN NE2 . 6919 1 619 . 1 1 57 57 PRO HG2 H 1 1.980 0.03 . 1 . . . . 57 PRO HG2 . 6919 1 620 . 1 1 57 57 PRO HG3 H 1 1.980 0.03 . 1 . . . . 57 PRO HG3 . 6919 1 621 . 1 1 57 57 PRO HD2 H 1 3.756 0.03 . 1 . . . . 57 PRO HD2 . 6919 1 622 . 1 1 57 57 PRO HD3 H 1 3.899 0.03 . 1 . . . . 57 PRO HD3 . 6919 1 623 . 1 1 57 57 PRO CG C 13 27.379 0.3 . 1 . . . . 57 PRO CG . 6919 1 624 . 1 1 57 57 PRO CD C 13 50.274 0.3 . 1 . . . . 57 PRO CD . 6919 1 625 . 1 1 58 58 HIS HA H 1 4.478 0.03 . 1 . . . . 58 HIS HA . 6919 1 626 . 1 1 58 58 HIS HB2 H 1 3.085 0.03 . 2 . . . . 58 HIS HB2 . 6919 1 627 . 1 1 58 58 HIS HB3 H 1 3.278 0.03 . 2 . . . . 58 HIS HB3 . 6919 1 628 . 1 1 58 58 HIS HD2 H 1 7.079 0.03 . 1 . . . . 58 HIS HD2 . 6919 1 629 . 1 1 58 58 HIS C C 13 175.523 0.3 . 1 . . . . 58 HIS C . 6919 1 630 . 1 1 58 58 HIS CA C 13 57.723 0.3 . 1 . . . . 58 HIS CA . 6919 1 631 . 1 1 58 58 HIS CB C 13 29.048 0.3 . 1 . . . . 58 HIS CB . 6919 1 632 . 1 1 58 58 HIS CD2 C 13 118.894 0.3 . 1 . . . . 58 HIS CD2 . 6919 1 633 . 1 1 59 59 ASP H H 1 7.848 0.03 . 1 . . . . 59 ASP H . 6919 1 634 . 1 1 59 59 ASP HA H 1 4.962 0.03 . 1 . . . . 59 ASP HA . 6919 1 635 . 1 1 59 59 ASP HB2 H 1 2.420 0.03 . 2 . . . . 59 ASP HB2 . 6919 1 636 . 1 1 59 59 ASP HB3 H 1 2.780 0.03 . 2 . . . . 59 ASP HB3 . 6919 1 637 . 1 1 59 59 ASP C C 13 176.127 0.3 . 1 . . . . 59 ASP C . 6919 1 638 . 1 1 59 59 ASP CA C 13 54.256 0.3 . 1 . . . . 59 ASP CA . 6919 1 639 . 1 1 59 59 ASP CB C 13 42.755 0.3 . 1 . . . . 59 ASP CB . 6919 1 640 . 1 1 59 59 ASP N N 15 119.042 0.3 . 1 . . . . 59 ASP N . 6919 1 641 . 1 1 60 60 ARG H H 1 7.183 0.03 . 1 . . . . 60 ARG H . 6919 1 642 . 1 1 60 60 ARG HA H 1 3.608 0.03 . 1 . . . . 60 ARG HA . 6919 1 643 . 1 1 60 60 ARG HB2 H 1 1.753 0.03 . 1 . . . . 60 ARG HB2 . 6919 1 644 . 1 1 60 60 ARG HB3 H 1 1.753 0.03 . 1 . . . . 60 ARG HB3 . 6919 1 645 . 1 1 60 60 ARG HG2 H 1 1.357 0.03 . 1 . . . . 60 ARG HG2 . 6919 1 646 . 1 1 60 60 ARG HG3 H 1 1.357 0.03 . 1 . . . . 60 ARG HG3 . 6919 1 647 . 1 1 60 60 ARG HD2 H 1 2.969 0.03 . 2 . . . . 60 ARG HD2 . 6919 1 648 . 1 1 60 60 ARG HD3 H 1 3.048 0.03 . 2 . . . . 60 ARG HD3 . 6919 1 649 . 1 1 60 60 ARG C C 13 178.235 0.3 . 1 . . . . 60 ARG C . 6919 1 650 . 1 1 60 60 ARG CA C 13 60.690 0.3 . 1 . . . . 60 ARG CA . 6919 1 651 . 1 1 60 60 ARG CB C 13 29.591 0.3 . 1 . . . . 60 ARG CB . 6919 1 652 . 1 1 60 60 ARG CG C 13 28.218 0.3 . 1 . . . . 60 ARG CG . 6919 1 653 . 1 1 60 60 ARG CD C 13 43.106 0.3 . 1 . . . . 60 ARG CD . 6919 1 654 . 1 1 60 60 ARG N N 15 119.842 0.3 . 1 . . . . 60 ARG N . 6919 1 655 . 1 1 61 61 LYS H H 1 8.330 0.03 . 1 . . . . 61 LYS H . 6919 1 656 . 1 1 61 61 LYS HA H 1 4.107 0.03 . 1 . . . . 61 LYS HA . 6919 1 657 . 1 1 61 61 LYS HB2 H 1 1.845 0.03 . 1 . . . . 61 LYS HB2 . 6919 1 658 . 1 1 61 61 LYS HB3 H 1 1.845 0.03 . 1 . . . . 61 LYS HB3 . 6919 1 659 . 1 1 61 61 LYS HG2 H 1 1.510 0.03 . 1 . . . . 61 LYS HG2 . 6919 1 660 . 1 1 61 61 LYS HG3 H 1 1.510 0.03 . 1 . . . . 61 LYS HG3 . 6919 1 661 . 1 1 61 61 LYS HD2 H 1 1.707 0.03 . 1 . . . . 61 LYS HD2 . 6919 1 662 . 1 1 61 61 LYS HD3 H 1 1.707 0.03 . 1 . . . . 61 LYS HD3 . 6919 1 663 . 1 1 61 61 LYS HE2 H 1 2.994 0.03 . 1 . . . . 61 LYS HE2 . 6919 1 664 . 1 1 61 61 LYS HE3 H 1 2.994 0.03 . 1 . . . . 61 LYS HE3 . 6919 1 665 . 1 1 61 61 LYS C C 13 179.297 0.3 . 1 . . . . 61 LYS C . 6919 1 666 . 1 1 61 61 LYS CA C 13 59.701 0.3 . 1 . . . . 61 LYS CA . 6919 1 667 . 1 1 61 61 LYS CB C 13 31.905 0.3 . 1 . . . . 61 LYS CB . 6919 1 668 . 1 1 61 61 LYS CG C 13 25.214 0.3 . 1 . . . . 61 LYS CG . 6919 1 669 . 1 1 61 61 LYS CD C 13 29.072 0.3 . 1 . . . . 61 LYS CD . 6919 1 670 . 1 1 61 61 LYS CE C 13 41.980 0.3 . 1 . . . . 61 LYS CE . 6919 1 671 . 1 1 61 61 LYS N N 15 118.480 0.3 . 1 . . . . 61 LYS N . 6919 1 672 . 1 1 62 62 LYS H H 1 8.275 0.03 . 1 . . . . 62 LYS H . 6919 1 673 . 1 1 62 62 LYS HA H 1 4.158 0.03 . 1 . . . . 62 LYS HA . 6919 1 674 . 1 1 62 62 LYS HB2 H 1 1.796 0.03 . 2 . . . . 62 LYS HB2 . 6919 1 675 . 1 1 62 62 LYS HB3 H 1 1.985 0.03 . 2 . . . . 62 LYS HB3 . 6919 1 676 . 1 1 62 62 LYS HG2 H 1 1.459 0.03 . 1 . . . . 62 LYS HG2 . 6919 1 677 . 1 1 62 62 LYS HG3 H 1 1.459 0.03 . 1 . . . . 62 LYS HG3 . 6919 1 678 . 1 1 62 62 LYS HE2 H 1 2.995 0.03 . 1 . . . . 62 LYS HE2 . 6919 1 679 . 1 1 62 62 LYS HE3 H 1 2.995 0.03 . 1 . . . . 62 LYS HE3 . 6919 1 680 . 1 1 62 62 LYS C C 13 178.505 0.3 . 1 . . . . 62 LYS C . 6919 1 681 . 1 1 62 62 LYS CA C 13 58.761 0.3 . 1 . . . . 62 LYS CA . 6919 1 682 . 1 1 62 62 LYS CB C 13 32.400 0.3 . 1 . . . . 62 LYS CB . 6919 1 683 . 1 1 62 62 LYS CG C 13 24.848 0.3 . 1 . . . . 62 LYS CG . 6919 1 684 . 1 1 62 62 LYS CE C 13 41.969 0.3 . 1 . . . . 62 LYS CE . 6919 1 685 . 1 1 62 62 LYS N N 15 119.697 0.3 . 1 . . . . 62 LYS N . 6919 1 686 . 1 1 63 63 MET H H 1 7.829 0.03 . 1 . . . . 63 MET H . 6919 1 687 . 1 1 63 63 MET HA H 1 4.879 0.03 . 1 . . . . 63 MET HA . 6919 1 688 . 1 1 63 63 MET HB2 H 1 1.974 0.03 . 2 . . . . 63 MET HB2 . 6919 1 689 . 1 1 63 63 MET HB3 H 1 2.330 0.03 . 2 . . . . 63 MET HB3 . 6919 1 690 . 1 1 63 63 MET HG2 H 1 2.566 0.03 . 2 . . . . 63 MET HG2 . 6919 1 691 . 1 1 63 63 MET HG3 H 1 2.808 0.03 . 2 . . . . 63 MET HG3 . 6919 1 692 . 1 1 63 63 MET HE1 H 1 2.096 0.03 . 1 . . . . 63 MET HE . 6919 1 693 . 1 1 63 63 MET HE2 H 1 2.096 0.03 . 1 . . . . 63 MET HE . 6919 1 694 . 1 1 63 63 MET HE3 H 1 2.096 0.03 . 1 . . . . 63 MET HE . 6919 1 695 . 1 1 63 63 MET C C 13 176.252 0.3 . 1 . . . . 63 MET C . 6919 1 696 . 1 1 63 63 MET CA C 13 53.971 0.3 . 1 . . . . 63 MET CA . 6919 1 697 . 1 1 63 63 MET CB C 13 31.884 0.3 . 1 . . . . 63 MET CB . 6919 1 698 . 1 1 63 63 MET CG C 13 33.119 0.3 . 1 . . . . 63 MET CG . 6919 1 699 . 1 1 63 63 MET CE C 13 17.066 0.3 . 1 . . . . 63 MET CE . 6919 1 700 . 1 1 63 63 MET N N 15 113.538 0.3 . 1 . . . . 63 MET N . 6919 1 701 . 1 1 64 64 LYS H H 1 7.384 0.03 . 1 . . . . 64 LYS H . 6919 1 702 . 1 1 64 64 LYS HA H 1 4.018 0.03 . 1 . . . . 64 LYS HA . 6919 1 703 . 1 1 64 64 LYS HB2 H 1 1.917 0.03 . 2 . . . . 64 LYS HB2 . 6919 1 704 . 1 1 64 64 LYS HB3 H 1 2.160 0.03 . 2 . . . . 64 LYS HB3 . 6919 1 705 . 1 1 64 64 LYS HG2 H 1 1.498 0.03 . 2 . . . . 64 LYS HG2 . 6919 1 706 . 1 1 64 64 LYS HG3 H 1 1.579 0.03 . 2 . . . . 64 LYS HG3 . 6919 1 707 . 1 1 64 64 LYS C C 13 176.562 0.3 . 1 . . . . 64 LYS C . 6919 1 708 . 1 1 64 64 LYS CA C 13 61.024 0.3 . 1 . . . . 64 LYS CA . 6919 1 709 . 1 1 64 64 LYS CB C 13 33.026 0.3 . 1 . . . . 64 LYS CB . 6919 1 710 . 1 1 64 64 LYS CG C 13 24.945 0.3 . 1 . . . . 64 LYS CG . 6919 1 711 . 1 1 64 64 LYS N N 15 122.858 0.3 . 1 . . . . 64 LYS N . 6919 1 712 . 1 1 65 65 LYS H H 1 8.344 0.03 . 1 . . . . 65 LYS H . 6919 1 713 . 1 1 65 65 LYS HA H 1 4.216 0.03 . 1 . . . . 65 LYS HA . 6919 1 714 . 1 1 65 65 LYS C C 13 179.204 0.3 . 1 . . . . 65 LYS C . 6919 1 715 . 1 1 65 65 LYS CA C 13 59.393 0.3 . 1 . . . . 65 LYS CA . 6919 1 716 . 1 1 65 65 LYS N N 15 116.155 0.3 . 1 . . . . 65 LYS N . 6919 1 717 . 1 1 66 66 VAL H H 1 7.610 0.03 . 1 . . . . 66 VAL H . 6919 1 718 . 1 1 66 66 VAL HA H 1 3.418 0.03 . 1 . . . . 66 VAL HA . 6919 1 719 . 1 1 66 66 VAL HB H 1 2.149 0.03 . 1 . . . . 66 VAL HB . 6919 1 720 . 1 1 66 66 VAL HG11 H 1 0.886 0.03 . 1 . . . . 66 VAL HG1 . 6919 1 721 . 1 1 66 66 VAL HG12 H 1 0.886 0.03 . 1 . . . . 66 VAL HG1 . 6919 1 722 . 1 1 66 66 VAL HG13 H 1 0.886 0.03 . 1 . . . . 66 VAL HG1 . 6919 1 723 . 1 1 66 66 VAL HG21 H 1 1.146 0.03 . 1 . . . . 66 VAL HG2 . 6919 1 724 . 1 1 66 66 VAL HG22 H 1 1.146 0.03 . 1 . . . . 66 VAL HG2 . 6919 1 725 . 1 1 66 66 VAL HG23 H 1 1.146 0.03 . 1 . . . . 66 VAL HG2 . 6919 1 726 . 1 1 66 66 VAL C C 13 176.997 0.3 . 1 . . . . 66 VAL C . 6919 1 727 . 1 1 66 66 VAL CA C 13 66.597 0.3 . 1 . . . . 66 VAL CA . 6919 1 728 . 1 1 66 66 VAL CB C 13 32.074 0.3 . 1 . . . . 66 VAL CB . 6919 1 729 . 1 1 66 66 VAL CG1 C 13 21.587 0.3 . 1 . . . . 66 VAL CG1 . 6919 1 730 . 1 1 66 66 VAL CG2 C 13 23.416 0.3 . 1 . . . . 66 VAL CG2 . 6919 1 731 . 1 1 66 66 VAL N N 15 118.821 0.3 . 1 . . . . 66 VAL N . 6919 1 732 . 1 1 67 67 TRP H H 1 8.542 0.03 . 1 . . . . 67 TRP H . 6919 1 733 . 1 1 67 67 TRP HA H 1 4.250 0.03 . 1 . . . . 67 TRP HA . 6919 1 734 . 1 1 67 67 TRP HB2 H 1 3.211 0.03 . 2 . . . . 67 TRP HB2 . 6919 1 735 . 1 1 67 67 TRP HB3 H 1 3.481 0.03 . 2 . . . . 67 TRP HB3 . 6919 1 736 . 1 1 67 67 TRP HD1 H 1 7.385 0.03 . 1 . . . . 67 TRP HD1 . 6919 1 737 . 1 1 67 67 TRP HE1 H 1 9.859 0.03 . 1 . . . . 67 TRP HE1 . 6919 1 738 . 1 1 67 67 TRP HE3 H 1 7.170 0.03 . 1 . . . . 67 TRP HE3 . 6919 1 739 . 1 1 67 67 TRP HZ2 H 1 7.330 0.03 . 1 . . . . 67 TRP HZ2 . 6919 1 740 . 1 1 67 67 TRP HZ3 H 1 7.390 0.03 . 1 . . . . 67 TRP HZ3 . 6919 1 741 . 1 1 67 67 TRP HH2 H 1 6.910 0.03 . 1 . . . . 67 TRP HH2 . 6919 1 742 . 1 1 67 67 TRP C C 13 176.456 0.3 . 1 . . . . 67 TRP C . 6919 1 743 . 1 1 67 67 TRP CA C 13 60.687 0.3 . 1 . . . . 67 TRP CA . 6919 1 744 . 1 1 67 67 TRP CB C 13 29.019 0.3 . 1 . . . . 67 TRP CB . 6919 1 745 . 1 1 67 67 TRP CD1 C 13 127.143 0.3 . 1 . . . . 67 TRP CD1 . 6919 1 746 . 1 1 67 67 TRP CE3 C 13 124.290 0.3 . 1 . . . . 67 TRP CE3 . 6919 1 747 . 1 1 67 67 TRP CZ2 C 13 114.170 0.3 . 1 . . . . 67 TRP CZ2 . 6919 1 748 . 1 1 67 67 TRP CZ3 C 13 113.320 0.3 . 1 . . . . 67 TRP CZ3 . 6919 1 749 . 1 1 67 67 TRP CH2 C 13 123.840 0.3 . 1 . . . . 67 TRP CH2 . 6919 1 750 . 1 1 67 67 TRP N N 15 119.418 0.3 . 1 . . . . 67 TRP N . 6919 1 751 . 1 1 67 67 TRP NE1 N 15 128.795 0.3 . 1 . . . . 67 TRP NE1 . 6919 1 752 . 1 1 68 68 ASP H H 1 8.670 0.03 . 1 . . . . 68 ASP H . 6919 1 753 . 1 1 68 68 ASP HA H 1 4.187 0.03 . 1 . . . . 68 ASP HA . 6919 1 754 . 1 1 68 68 ASP HB2 H 1 2.710 0.03 . 2 . . . . 68 ASP HB2 . 6919 1 755 . 1 1 68 68 ASP HB3 H 1 2.782 0.03 . 2 . . . . 68 ASP HB3 . 6919 1 756 . 1 1 68 68 ASP C C 13 179.691 0.3 . 1 . . . . 68 ASP C . 6919 1 757 . 1 1 68 68 ASP CA C 13 57.707 0.3 . 1 . . . . 68 ASP CA . 6919 1 758 . 1 1 68 68 ASP CB C 13 39.679 0.3 . 1 . . . . 68 ASP CB . 6919 1 759 . 1 1 68 68 ASP N N 15 117.097 0.3 . 1 . . . . 68 ASP N . 6919 1 760 . 1 1 69 69 ARG H H 1 8.109 0.03 . 1 . . . . 69 ARG H . 6919 1 761 . 1 1 69 69 ARG HA H 1 4.094 0.03 . 1 . . . . 69 ARG HA . 6919 1 762 . 1 1 69 69 ARG HB2 H 1 1.887 0.03 . 2 . . . . 69 ARG HB2 . 6919 1 763 . 1 1 69 69 ARG HB3 H 1 1.953 0.03 . 2 . . . . 69 ARG HB3 . 6919 1 764 . 1 1 69 69 ARG HG2 H 1 1.690 0.03 . 2 . . . . 69 ARG HG2 . 6919 1 765 . 1 1 69 69 ARG HG3 H 1 2.038 0.03 . 2 . . . . 69 ARG HG3 . 6919 1 766 . 1 1 69 69 ARG HD2 H 1 2.921 0.03 . 2 . . . . 69 ARG HD2 . 6919 1 767 . 1 1 69 69 ARG HD3 H 1 3.276 0.03 . 2 . . . . 69 ARG HD3 . 6919 1 768 . 1 1 69 69 ARG C C 13 179.073 0.3 . 1 . . . . 69 ARG C . 6919 1 769 . 1 1 69 69 ARG CA C 13 59.289 0.3 . 1 . . . . 69 ARG CA . 6919 1 770 . 1 1 69 69 ARG CG C 13 27.566 0.3 . 1 . . . . 69 ARG CG . 6919 1 771 . 1 1 69 69 ARG CD C 13 43.993 0.3 . 1 . . . . 69 ARG CD . 6919 1 772 . 1 1 69 69 ARG N N 15 117.782 0.3 . 1 . . . . 69 ARG N . 6919 1 773 . 1 1 70 70 ALA H H 1 8.430 0.03 . 1 . . . . 70 ALA H . 6919 1 774 . 1 1 70 70 ALA HA H 1 3.823 0.03 . 1 . . . . 70 ALA HA . 6919 1 775 . 1 1 70 70 ALA HB1 H 1 1.235 0.03 . 1 . . . . 70 ALA HB . 6919 1 776 . 1 1 70 70 ALA HB2 H 1 1.235 0.03 . 1 . . . . 70 ALA HB . 6919 1 777 . 1 1 70 70 ALA HB3 H 1 1.235 0.03 . 1 . . . . 70 ALA HB . 6919 1 778 . 1 1 70 70 ALA C C 13 178.587 0.03 . 1 . . . . 70 ALA C . 6919 1 779 . 1 1 70 70 ALA CA C 13 55.300 0.03 . 1 . . . . 70 ALA CA . 6919 1 780 . 1 1 70 70 ALA CB C 13 18.317 0.03 . 1 . . . . 70 ALA CB . 6919 1 781 . 1 1 70 70 ALA N N 15 124.957 0.03 . 1 . . . . 70 ALA N . 6919 1 782 . 1 1 71 71 VAL H H 1 8.289 0.03 . 1 . . . . 71 VAL H . 6919 1 783 . 1 1 71 71 VAL HA H 1 3.476 0.03 . 1 . . . . 71 VAL HA . 6919 1 784 . 1 1 71 71 VAL HB H 1 2.056 0.03 . 1 . . . . 71 VAL HB . 6919 1 785 . 1 1 71 71 VAL HG11 H 1 0.987 0.03 . 1 . . . . 71 VAL HG1 . 6919 1 786 . 1 1 71 71 VAL HG12 H 1 0.987 0.03 . 1 . . . . 71 VAL HG1 . 6919 1 787 . 1 1 71 71 VAL HG13 H 1 0.987 0.03 . 1 . . . . 71 VAL HG1 . 6919 1 788 . 1 1 71 71 VAL HG21 H 1 0.530 0.03 . 1 . . . . 71 VAL HG2 . 6919 1 789 . 1 1 71 71 VAL HG22 H 1 0.530 0.03 . 1 . . . . 71 VAL HG2 . 6919 1 790 . 1 1 71 71 VAL HG23 H 1 0.530 0.03 . 1 . . . . 71 VAL HG2 . 6919 1 791 . 1 1 71 71 VAL C C 13 179.402 0.3 . 1 . . . . 71 VAL C . 6919 1 792 . 1 1 71 71 VAL CA C 13 67.299 0.3 . 1 . . . . 71 VAL CA . 6919 1 793 . 1 1 71 71 VAL CB C 13 31.896 0.3 . 1 . . . . 71 VAL CB . 6919 1 794 . 1 1 71 71 VAL CG1 C 13 21.336 0.3 . 1 . . . . 71 VAL CG1 . 6919 1 795 . 1 1 71 71 VAL CG2 C 13 22.270 0.3 . 1 . . . . 71 VAL CG2 . 6919 1 796 . 1 1 71 71 VAL N N 15 118.772 0.3 . 1 . . . . 71 VAL N . 6919 1 797 . 1 1 72 72 ASP H H 1 7.767 0.03 . 1 . . . . 72 ASP H . 6919 1 798 . 1 1 72 72 ASP HA H 1 4.438 0.03 . 1 . . . . 72 ASP HA . 6919 1 799 . 1 1 72 72 ASP HB2 H 1 2.655 0.03 . 2 . . . . 72 ASP HB2 . 6919 1 800 . 1 1 72 72 ASP HB3 H 1 2.749 0.03 . 2 . . . . 72 ASP HB3 . 6919 1 801 . 1 1 72 72 ASP C C 13 178.516 0.3 . 1 . . . . 72 ASP C . 6919 1 802 . 1 1 72 72 ASP CA C 13 57.195 0.3 . 1 . . . . 72 ASP CA . 6919 1 803 . 1 1 72 72 ASP CB C 13 40.668 0.3 . 1 . . . . 72 ASP CB . 6919 1 804 . 1 1 72 72 ASP N N 15 119.969 0.3 . 1 . . . . 72 ASP N . 6919 1 805 . 1 1 73 73 PHE H H 1 8.673 0.03 . 1 . . . . 73 PHE H . 6919 1 806 . 1 1 73 73 PHE HA H 1 4.016 0.03 . 1 . . . . 73 PHE HA . 6919 1 807 . 1 1 73 73 PHE HB2 H 1 3.200 0.03 . 2 . . . . 73 PHE HB2 . 6919 1 808 . 1 1 73 73 PHE HB3 H 1 3.359 0.03 . 2 . . . . 73 PHE HB3 . 6919 1 809 . 1 1 73 73 PHE HD1 H 1 7.093 0.03 . 1 . . . . 73 PHE HD1 . 6919 1 810 . 1 1 73 73 PHE C C 13 178.917 0.3 . 1 . . . . 73 PHE C . 6919 1 811 . 1 1 73 73 PHE CA C 13 61.920 0.3 . 1 . . . . 73 PHE CA . 6919 1 812 . 1 1 73 73 PHE CB C 13 39.528 0.3 . 1 . . . . 73 PHE CB . 6919 1 813 . 1 1 73 73 PHE CD1 C 13 131.844 0.3 . 1 . . . . 73 PHE CD1 . 6919 1 814 . 1 1 73 73 PHE N N 15 122.654 0.3 . 1 . . . . 73 PHE N . 6919 1 815 . 1 1 74 74 LEU H H 1 8.550 0.03 . 1 . . . . 74 LEU H . 6919 1 816 . 1 1 74 74 LEU HA H 1 3.861 0.03 . 1 . . . . 74 LEU HA . 6919 1 817 . 1 1 74 74 LEU HB2 H 1 1.301 0.03 . 2 . . . . 74 LEU HB2 . 6919 1 818 . 1 1 74 74 LEU HB3 H 1 1.988 0.03 . 2 . . . . 74 LEU HB3 . 6919 1 819 . 1 1 74 74 LEU HG H 1 1.794 0.03 . 1 . . . . 74 LEU HG . 6919 1 820 . 1 1 74 74 LEU HD11 H 1 0.682 0.03 . 2 . . . . 74 LEU HD1 . 6919 1 821 . 1 1 74 74 LEU HD12 H 1 0.682 0.03 . 2 . . . . 74 LEU HD1 . 6919 1 822 . 1 1 74 74 LEU HD13 H 1 0.682 0.03 . 2 . . . . 74 LEU HD1 . 6919 1 823 . 1 1 74 74 LEU HD21 H 1 0.508 0.03 . 2 . . . . 74 LEU HD2 . 6919 1 824 . 1 1 74 74 LEU HD22 H 1 0.508 0.03 . 2 . . . . 74 LEU HD2 . 6919 1 825 . 1 1 74 74 LEU HD23 H 1 0.508 0.03 . 2 . . . . 74 LEU HD2 . 6919 1 826 . 1 1 74 74 LEU C C 13 179.296 0.3 . 1 . . . . 74 LEU C . 6919 1 827 . 1 1 74 74 LEU CA C 13 57.860 0.3 . 1 . . . . 74 LEU CA . 6919 1 828 . 1 1 74 74 LEU CB C 13 42.522 0.3 . 1 . . . . 74 LEU CB . 6919 1 829 . 1 1 74 74 LEU CG C 13 27.049 0.3 . 1 . . . . 74 LEU CG . 6919 1 830 . 1 1 74 74 LEU CD1 C 13 24.902 0.3 . 1 . . . . 74 LEU CD1 . 6919 1 831 . 1 1 74 74 LEU CD2 C 13 26.912 0.3 . 1 . . . . 74 LEU CD2 . 6919 1 832 . 1 1 74 74 LEU N N 15 120.308 0.3 . 1 . . . . 74 LEU N . 6919 1 833 . 1 1 75 75 ALA H H 1 7.805 0.03 . 1 . . . . 75 ALA H . 6919 1 834 . 1 1 75 75 ALA HA H 1 4.174 0.03 . 1 . . . . 75 ALA HA . 6919 1 835 . 1 1 75 75 ALA HB1 H 1 1.581 0.03 . 1 . . . . 75 ALA HB . 6919 1 836 . 1 1 75 75 ALA HB2 H 1 1.581 0.03 . 1 . . . . 75 ALA HB . 6919 1 837 . 1 1 75 75 ALA HB3 H 1 1.581 0.03 . 1 . . . . 75 ALA HB . 6919 1 838 . 1 1 75 75 ALA C C 13 179.201 0.3 . 1 . . . . 75 ALA C . 6919 1 839 . 1 1 75 75 ALA CA C 13 54.589 0.3 . 1 . . . . 75 ALA CA . 6919 1 840 . 1 1 75 75 ALA CB C 13 18.514 0.3 . 1 . . . . 75 ALA CB . 6919 1 841 . 1 1 75 75 ALA N N 15 120.078 0.3 . 1 . . . . 75 ALA N . 6919 1 842 . 1 1 76 76 ALA H H 1 7.440 0.03 . 1 . . . . 76 ALA H . 6919 1 843 . 1 1 76 76 ALA HA H 1 4.261 0.03 . 1 . . . . 76 ALA HA . 6919 1 844 . 1 1 76 76 ALA HB1 H 1 1.271 0.03 . 1 . . . . 76 ALA HB . 6919 1 845 . 1 1 76 76 ALA HB2 H 1 1.271 0.03 . 1 . . . . 76 ALA HB . 6919 1 846 . 1 1 76 76 ALA HB3 H 1 1.271 0.03 . 1 . . . . 76 ALA HB . 6919 1 847 . 1 1 76 76 ALA CA C 13 53.472 0.3 . 1 . . . . 76 ALA CA . 6919 1 848 . 1 1 76 76 ALA CB C 13 19.980 0.3 . 1 . . . . 76 ALA CB . 6919 1 849 . 1 1 76 76 ALA N N 15 116.242 0.3 . 1 . . . . 76 ALA N . 6919 1 850 . 1 1 80 80 ARG HA H 1 3.895 0.03 . 1 . . . . 80 ARG HA . 6919 1 851 . 1 1 80 80 ARG HB2 H 1 1.701 0.03 . 1 . . . . 80 ARG HB2 . 6919 1 852 . 1 1 80 80 ARG HB3 H 1 1.701 0.03 . 1 . . . . 80 ARG HB3 . 6919 1 853 . 1 1 80 80 ARG C C 13 173.631 0.3 . 1 . . . . 80 ARG C . 6919 1 854 . 1 1 80 80 ARG CA C 13 56.846 0.3 . 1 . . . . 80 ARG CA . 6919 1 855 . 1 1 81 81 VAL H H 1 7.057 0.03 . 1 . . . . 81 VAL H . 6919 1 856 . 1 1 81 81 VAL HA H 1 4.697 0.03 . 1 . . . . 81 VAL HA . 6919 1 857 . 1 1 81 81 VAL HB H 1 1.654 0.03 . 1 . . . . 81 VAL HB . 6919 1 858 . 1 1 81 81 VAL HG11 H 1 0.433 0.03 . 1 . . . . 81 VAL HG1 . 6919 1 859 . 1 1 81 81 VAL HG12 H 1 0.433 0.03 . 1 . . . . 81 VAL HG1 . 6919 1 860 . 1 1 81 81 VAL HG13 H 1 0.433 0.03 . 1 . . . . 81 VAL HG1 . 6919 1 861 . 1 1 81 81 VAL HG21 H 1 0.742 0.03 . 1 . . . . 81 VAL HG2 . 6919 1 862 . 1 1 81 81 VAL HG22 H 1 0.742 0.03 . 1 . . . . 81 VAL HG2 . 6919 1 863 . 1 1 81 81 VAL HG23 H 1 0.742 0.03 . 1 . . . . 81 VAL HG2 . 6919 1 864 . 1 1 81 81 VAL C C 13 174.755 0.3 . 1 . . . . 81 VAL C . 6919 1 865 . 1 1 81 81 VAL CA C 13 60.535 0.3 . 1 . . . . 81 VAL CA . 6919 1 866 . 1 1 81 81 VAL CB C 13 34.045 0.3 . 1 . . . . 81 VAL CB . 6919 1 867 . 1 1 81 81 VAL CG1 C 13 21.685 0.3 . 1 . . . . 81 VAL CG1 . 6919 1 868 . 1 1 81 81 VAL CG2 C 13 22.667 0.3 . 1 . . . . 81 VAL CG2 . 6919 1 869 . 1 1 81 81 VAL N N 15 114.930 0.3 . 1 . . . . 81 VAL N . 6919 1 870 . 1 1 82 82 ARG H H 1 8.857 0.03 . 1 . . . . 82 ARG H . 6919 1 871 . 1 1 82 82 ARG HA H 1 4.841 0.03 . 1 . . . . 82 ARG HA . 6919 1 872 . 1 1 82 82 ARG HB2 H 1 1.722 0.03 . 2 . . . . 82 ARG HB2 . 6919 1 873 . 1 1 82 82 ARG HB3 H 1 1.817 0.03 . 2 . . . . 82 ARG HB3 . 6919 1 874 . 1 1 82 82 ARG HG2 H 1 1.582 0.03 . 2 . . . . 82 ARG HG2 . 6919 1 875 . 1 1 82 82 ARG HG3 H 1 1.655 0.03 . 2 . . . . 82 ARG HG3 . 6919 1 876 . 1 1 82 82 ARG HD2 H 1 3.216 0.03 . 2 . . . . 82 ARG HD2 . 6919 1 877 . 1 1 82 82 ARG HD3 H 1 3.238 0.03 . 2 . . . . 82 ARG HD3 . 6919 1 878 . 1 1 82 82 ARG C C 13 175.331 0.3 . 1 . . . . 82 ARG C . 6919 1 879 . 1 1 82 82 ARG CA C 13 53.933 0.3 . 1 . . . . 82 ARG CA . 6919 1 880 . 1 1 82 82 ARG CB C 13 33.661 0.3 . 1 . . . . 82 ARG CB . 6919 1 881 . 1 1 82 82 ARG CG C 13 27.067 0.3 . 1 . . . . 82 ARG CG . 6919 1 882 . 1 1 82 82 ARG CD C 13 43.171 0.3 . 1 . . . . 82 ARG CD . 6919 1 883 . 1 1 82 82 ARG N N 15 126.760 0.3 . 1 . . . . 82 ARG N . 6919 1 884 . 1 1 83 83 THR H H 1 8.763 0.03 . 1 . . . . 83 THR H . 6919 1 885 . 1 1 83 83 THR HA H 1 5.638 0.03 . 1 . . . . 83 THR HA . 6919 1 886 . 1 1 83 83 THR HB H 1 4.051 0.03 . 1 . . . . 83 THR HB . 6919 1 887 . 1 1 83 83 THR HG21 H 1 1.186 0.03 . 1 . . . . 83 THR HG1 . 6919 1 888 . 1 1 83 83 THR HG22 H 1 1.186 0.03 . 1 . . . . 83 THR HG1 . 6919 1 889 . 1 1 83 83 THR HG23 H 1 1.186 0.03 . 1 . . . . 83 THR HG1 . 6919 1 890 . 1 1 83 83 THR C C 13 174.626 0.3 . 1 . . . . 83 THR C . 6919 1 891 . 1 1 83 83 THR CA C 13 61.959 0.3 . 1 . . . . 83 THR CA . 6919 1 892 . 1 1 83 83 THR CB C 13 69.360 0.3 . 1 . . . . 83 THR CB . 6919 1 893 . 1 1 83 83 THR CG2 C 13 22.260 0.3 . 1 . . . . 83 THR CG2 . 6919 1 894 . 1 1 83 83 THR N N 15 120.629 0.3 . 1 . . . . 83 THR N . 6919 1 895 . 1 1 84 84 GLU H H 1 9.074 0.03 . 1 . . . . 84 GLU H . 6919 1 896 . 1 1 84 84 GLU HA H 1 4.726 0.03 . 1 . . . . 84 GLU HA . 6919 1 897 . 1 1 84 84 GLU HB2 H 1 1.649 0.03 . 2 . . . . 84 GLU HB2 . 6919 1 898 . 1 1 84 84 GLU HB3 H 1 2.015 0.03 . 2 . . . . 84 GLU HB3 . 6919 1 899 . 1 1 84 84 GLU HG2 H 1 1.912 0.03 . 2 . . . . 84 GLU HG2 . 6919 1 900 . 1 1 84 84 GLU HG3 H 1 2.170 0.03 . 2 . . . . 84 GLU HG3 . 6919 1 901 . 1 1 84 84 GLU C C 13 174.118 0.3 . 1 . . . . 84 GLU C . 6919 1 902 . 1 1 84 84 GLU CA C 13 54.115 0.3 . 1 . . . . 84 GLU CA . 6919 1 903 . 1 1 84 84 GLU CB C 13 33.878 0.3 . 1 . . . . 84 GLU CB . 6919 1 904 . 1 1 84 84 GLU CG C 13 36.200 0.3 . 1 . . . . 84 GLU CG . 6919 1 905 . 1 1 84 84 GLU N N 15 124.431 0.3 . 1 . . . . 84 GLU N . 6919 1 906 . 1 1 85 85 THR H H 1 8.369 0.03 . 1 . . . . 85 THR H . 6919 1 907 . 1 1 85 85 THR HA H 1 5.197 0.03 . 1 . . . . 85 THR HA . 6919 1 908 . 1 1 85 85 THR HB H 1 3.861 0.03 . 1 . . . . 85 THR HB . 6919 1 909 . 1 1 85 85 THR HG21 H 1 0.999 0.03 . 1 . . . . 85 THR HG1 . 6919 1 910 . 1 1 85 85 THR HG22 H 1 0.999 0.03 . 1 . . . . 85 THR HG1 . 6919 1 911 . 1 1 85 85 THR HG23 H 1 0.999 0.03 . 1 . . . . 85 THR HG1 . 6919 1 912 . 1 1 85 85 THR C C 13 174.976 0.3 . 1 . . . . 85 THR C . 6919 1 913 . 1 1 85 85 THR CA C 13 61.688 0.3 . 1 . . . . 85 THR CA . 6919 1 914 . 1 1 85 85 THR CB C 13 69.393 0.3 . 1 . . . . 85 THR CB . 6919 1 915 . 1 1 85 85 THR CG2 C 13 21.326 0.3 . 1 . . . . 85 THR CG2 . 6919 1 916 . 1 1 85 85 THR N N 15 115.677 0.3 . 1 . . . . 85 THR N . 6919 1 917 . 1 1 86 86 ARG H H 1 9.033 0.03 . 1 . . . . 86 ARG H . 6919 1 918 . 1 1 86 86 ARG HA H 1 4.514 0.03 . 1 . . . . 86 ARG HA . 6919 1 919 . 1 1 86 86 ARG HB2 H 1 1.169 0.03 . 2 . . . . 86 ARG HB2 . 6919 1 920 . 1 1 86 86 ARG HB3 H 1 1.445 0.03 . 2 . . . . 86 ARG HB3 . 6919 1 921 . 1 1 86 86 ARG HG2 H 1 0.651 0.03 . 2 . . . . 86 ARG HG2 . 6919 1 922 . 1 1 86 86 ARG HG3 H 1 1.070 0.03 . 2 . . . . 86 ARG HG3 . 6919 1 923 . 1 1 86 86 ARG HD2 H 1 2.663 0.03 . 2 . . . . 86 ARG HD2 . 6919 1 924 . 1 1 86 86 ARG HD3 H 1 2.921 0.03 . 2 . . . . 86 ARG HD3 . 6919 1 925 . 1 1 86 86 ARG C C 13 173.505 0.3 . 1 . . . . 86 ARG C . 6919 1 926 . 1 1 86 86 ARG CA C 13 53.690 0.3 . 1 . . . . 86 ARG CA . 6919 1 927 . 1 1 86 86 ARG CB C 13 34.466 0.3 . 1 . . . . 86 ARG CB . 6919 1 928 . 1 1 86 86 ARG CG C 13 26.945 0.3 . 1 . . . . 86 ARG CG . 6919 1 929 . 1 1 86 86 ARG CD C 13 42.477 0.3 . 1 . . . . 86 ARG CD . 6919 1 930 . 1 1 86 86 ARG N N 15 125.095 0.3 . 1 . . . . 86 ARG N . 6919 1 931 . 1 1 87 87 ARG H H 1 8.437 0.03 . 1 . . . . 87 ARG H . 6919 1 932 . 1 1 87 87 ARG HA H 1 5.088 0.03 . 1 . . . . 87 ARG HA . 6919 1 933 . 1 1 87 87 ARG HB2 H 1 1.671 0.03 . 2 . . . . 87 ARG HB2 . 6919 1 934 . 1 1 87 87 ARG HB3 H 1 1.761 0.03 . 2 . . . . 87 ARG HB3 . 6919 1 935 . 1 1 87 87 ARG HG2 H 1 1.263 0.03 . 2 . . . . 87 ARG HG2 . 6919 1 936 . 1 1 87 87 ARG HG3 H 1 1.511 0.03 . 2 . . . . 87 ARG HG3 . 6919 1 937 . 1 1 87 87 ARG HD2 H 1 3.016 0.03 . 1 . . . . 87 ARG HD2 . 6919 1 938 . 1 1 87 87 ARG HD3 H 1 3.016 0.03 . 1 . . . . 87 ARG HD3 . 6919 1 939 . 1 1 87 87 ARG C C 13 176.113 0.3 . 1 . . . . 87 ARG C . 6919 1 940 . 1 1 87 87 ARG CA C 13 55.119 0.3 . 1 . . . . 87 ARG CA . 6919 1 941 . 1 1 87 87 ARG CB C 13 30.222 0.3 . 1 . . . . 87 ARG CB . 6919 1 942 . 1 1 87 87 ARG CG C 13 26.828 0.3 . 1 . . . . 87 ARG CG . 6919 1 943 . 1 1 87 87 ARG CD C 13 42.972 0.3 . 1 . . . . 87 ARG CD . 6919 1 944 . 1 1 87 87 ARG N N 15 123.889 0.3 . 1 . . . . 87 ARG N . 6919 1 945 . 1 1 88 88 ILE H H 1 9.183 0.03 . 1 . . . . 88 ILE H . 6919 1 946 . 1 1 88 88 ILE HA H 1 4.322 0.03 . 1 . . . . 88 ILE HA . 6919 1 947 . 1 1 88 88 ILE HB H 1 1.845 0.03 . 1 . . . . 88 ILE HB . 6919 1 948 . 1 1 88 88 ILE HG12 H 1 1.045 0.03 . 2 . . . . 88 ILE HG12 . 6919 1 949 . 1 1 88 88 ILE HG13 H 1 1.426 0.03 . 2 . . . . 88 ILE HG13 . 6919 1 950 . 1 1 88 88 ILE HG21 H 1 0.816 0.03 . 1 . . . . 88 ILE HG2 . 6919 1 951 . 1 1 88 88 ILE HG22 H 1 0.816 0.03 . 1 . . . . 88 ILE HG2 . 6919 1 952 . 1 1 88 88 ILE HG23 H 1 0.816 0.03 . 1 . . . . 88 ILE HG2 . 6919 1 953 . 1 1 88 88 ILE HD11 H 1 0.616 0.03 . 1 . . . . 88 ILE HD1 . 6919 1 954 . 1 1 88 88 ILE HD12 H 1 0.616 0.03 . 1 . . . . 88 ILE HD1 . 6919 1 955 . 1 1 88 88 ILE HD13 H 1 0.616 0.03 . 1 . . . . 88 ILE HD1 . 6919 1 956 . 1 1 88 88 ILE C C 13 176.867 0.3 . 1 . . . . 88 ILE C . 6919 1 957 . 1 1 88 88 ILE CA C 13 60.801 0.3 . 1 . . . . 88 ILE CA . 6919 1 958 . 1 1 88 88 ILE CB C 13 40.250 0.3 . 1 . . . . 88 ILE CB . 6919 1 959 . 1 1 88 88 ILE CG1 C 13 26.765 0.3 . 1 . . . . 88 ILE CG1 . 6919 1 960 . 1 1 88 88 ILE CG2 C 13 17.311 0.3 . 1 . . . . 88 ILE CG2 . 6919 1 961 . 1 1 88 88 ILE CD1 C 13 13.818 0.3 . 1 . . . . 88 ILE CD1 . 6919 1 962 . 1 1 88 88 ILE N N 15 128.370 0.3 . 1 . . . . 88 ILE N . 6919 1 963 . 1 1 89 89 GLY H H 1 9.207 0.03 . 1 . . . . 89 GLY H . 6919 1 964 . 1 1 89 89 GLY HA2 H 1 3.850 0.03 . 2 . . . . 89 GLY HA2 . 6919 1 965 . 1 1 89 89 GLY HA3 H 1 3.931 0.03 . 2 . . . . 89 GLY HA3 . 6919 1 966 . 1 1 89 89 GLY C C 13 175.332 0.3 . 1 . . . . 89 GLY C . 6919 1 967 . 1 1 89 89 GLY CA C 13 47.130 0.3 . 1 . . . . 89 GLY CA . 6919 1 968 . 1 1 89 89 GLY N N 15 117.795 0.3 . 1 . . . . 89 GLY N . 6919 1 969 . 1 1 90 90 GLY H H 1 8.547 0.03 . 1 . . . . 90 GLY H . 6919 1 970 . 1 1 90 90 GLY HA2 H 1 3.732 0.03 . 2 . . . . 90 GLY HA2 . 6919 1 971 . 1 1 90 90 GLY HA3 H 1 4.025 0.03 . 2 . . . . 90 GLY HA3 . 6919 1 972 . 1 1 90 90 GLY C C 13 172.545 0.03 . 1 . . . . 90 GLY C . 6919 1 973 . 1 1 90 90 GLY CA C 13 45.143 0.03 . 1 . . . . 90 GLY CA . 6919 1 974 . 1 1 90 90 GLY N N 15 106.952 0.3 . 1 . . . . 90 GLY N . 6919 1 975 . 1 1 91 91 ALA H H 1 7.633 0.03 . 1 . . . . 91 ALA H . 6919 1 976 . 1 1 91 91 ALA HA H 1 4.587 0.03 . 1 . . . . 91 ALA HA . 6919 1 977 . 1 1 91 91 ALA HB1 H 1 1.229 0.03 . 1 . . . . 91 ALA HB . 6919 1 978 . 1 1 91 91 ALA HB2 H 1 1.229 0.03 . 1 . . . . 91 ALA HB . 6919 1 979 . 1 1 91 91 ALA HB3 H 1 1.229 0.03 . 1 . . . . 91 ALA HB . 6919 1 980 . 1 1 91 91 ALA C C 13 174.431 0.3 . 1 . . . . 91 ALA C . 6919 1 981 . 1 1 91 91 ALA CA C 13 50.469 0.3 . 1 . . . . 91 ALA CA . 6919 1 982 . 1 1 91 91 ALA CB C 13 22.076 0.3 . 1 . . . . 91 ALA CB . 6919 1 983 . 1 1 91 91 ALA N N 15 122.605 0.3 . 1 . . . . 91 ALA N . 6919 1 984 . 1 1 92 92 ASP H H 1 8.206 0.03 . 1 . . . . 92 ASP H . 6919 1 985 . 1 1 92 92 ASP HA H 1 5.067 0.03 . 1 . . . . 92 ASP HA . 6919 1 986 . 1 1 92 92 ASP HB2 H 1 2.211 0.03 . 2 . . . . 92 ASP HB2 . 6919 1 987 . 1 1 92 92 ASP HB3 H 1 2.335 0.03 . 2 . . . . 92 ASP HB3 . 6919 1 988 . 1 1 92 92 ASP C C 13 175.878 0.3 . 1 . . . . 92 ASP C . 6919 1 989 . 1 1 92 92 ASP CA C 13 54.247 0.3 . 1 . . . . 92 ASP CA . 6919 1 990 . 1 1 92 92 ASP CB C 13 41.934 0.3 . 1 . . . . 92 ASP CB . 6919 1 991 . 1 1 92 92 ASP N N 15 119.847 0.3 . 1 . . . . 92 ASP N . 6919 1 992 . 1 1 93 93 PHE H H 1 9.041 0.03 . 1 . . . . 93 PHE H . 6919 1 993 . 1 1 93 93 PHE HA H 1 4.651 0.03 . 1 . . . . 93 PHE HA . 6919 1 994 . 1 1 93 93 PHE HB2 H 1 2.613 0.03 . 2 . . . . 93 PHE HB2 . 6919 1 995 . 1 1 93 93 PHE HB3 H 1 2.862 0.03 . 2 . . . . 93 PHE HB3 . 6919 1 996 . 1 1 93 93 PHE HD1 H 1 7.180 0.03 . 1 . . . . 93 PHE HD1 . 6919 1 997 . 1 1 93 93 PHE HE1 H 1 7.400 0.03 . 1 . . . . 93 PHE HE1 . 6919 1 998 . 1 1 93 93 PHE HZ H 1 7.330 0.03 . 1 . . . . 93 PHE HZ . 6919 1 999 . 1 1 93 93 PHE C C 13 174.451 0.3 . 1 . . . . 93 PHE C . 6919 1 1000 . 1 1 93 93 PHE CA C 13 56.958 0.3 . 1 . . . . 93 PHE CA . 6919 1 1001 . 1 1 93 93 PHE CB C 13 42.818 0.3 . 1 . . . . 93 PHE CB . 6919 1 1002 . 1 1 93 93 PHE CD1 C 13 131.600 0.3 . 1 . . . . 93 PHE CD1 . 6919 1 1003 . 1 1 93 93 PHE CE1 C 13 131.300 0.3 . 1 . . . . 93 PHE CE1 . 6919 1 1004 . 1 1 93 93 PHE CZ C 13 129.500 0.3 . 1 . . . . 93 PHE CZ . 6919 1 1005 . 1 1 93 93 PHE N N 15 120.646 0.3 . 1 . . . . 93 PHE N . 6919 1 1006 . 1 1 94 94 LEU H H 1 8.448 0.03 . 1 . . . . 94 LEU H . 6919 1 1007 . 1 1 94 94 LEU HA H 1 4.924 0.03 . 1 . . . . 94 LEU HA . 6919 1 1008 . 1 1 94 94 LEU HB2 H 1 1.206 0.03 . 2 . . . . 94 LEU HB2 . 6919 1 1009 . 1 1 94 94 LEU HB3 H 1 1.564 0.03 . 2 . . . . 94 LEU HB3 . 6919 1 1010 . 1 1 94 94 LEU HG H 1 1.550 0.03 . 1 . . . . 94 LEU HG . 6919 1 1011 . 1 1 94 94 LEU HD11 H 1 0.712 0.03 . 1 . . . . 94 LEU HD1 . 6919 1 1012 . 1 1 94 94 LEU HD12 H 1 0.712 0.03 . 1 . . . . 94 LEU HD1 . 6919 1 1013 . 1 1 94 94 LEU HD13 H 1 0.712 0.03 . 1 . . . . 94 LEU HD1 . 6919 1 1014 . 1 1 94 94 LEU HD21 H 1 0.802 0.03 . 1 . . . . 94 LEU HD2 . 6919 1 1015 . 1 1 94 94 LEU HD22 H 1 0.802 0.03 . 1 . . . . 94 LEU HD2 . 6919 1 1016 . 1 1 94 94 LEU HD23 H 1 0.802 0.03 . 1 . . . . 94 LEU HD2 . 6919 1 1017 . 1 1 94 94 LEU C C 13 176.997 0.3 . 1 . . . . 94 LEU C . 6919 1 1018 . 1 1 94 94 LEU CA C 13 54.475 0.3 . 1 . . . . 94 LEU CA . 6919 1 1019 . 1 1 94 94 LEU CB C 13 43.246 0.3 . 1 . . . . 94 LEU CB . 6919 1 1020 . 1 1 94 94 LEU CG C 13 27.077 0.3 . 1 . . . . 94 LEU CG . 6919 1 1021 . 1 1 94 94 LEU CD1 C 13 23.922 0.3 . 1 . . . . 94 LEU CD1 . 6919 1 1022 . 1 1 94 94 LEU CD2 C 13 25.233 0.3 . 1 . . . . 94 LEU CD2 . 6919 1 1023 . 1 1 94 94 LEU N N 15 121.624 0.3 . 1 . . . . 94 LEU N . 6919 1 1024 . 1 1 95 95 VAL H H 1 9.238 0.03 . 1 . . . . 95 VAL H . 6919 1 1025 . 1 1 95 95 VAL HA H 1 4.977 0.03 . 1 . . . . 95 VAL HA . 6919 1 1026 . 1 1 95 95 VAL HB H 1 1.844 0.03 . 1 . . . . 95 VAL HB . 6919 1 1027 . 1 1 95 95 VAL HG11 H 1 0.449 0.03 . 1 . . . . 95 VAL HG1 . 6919 1 1028 . 1 1 95 95 VAL HG12 H 1 0.449 0.03 . 1 . . . . 95 VAL HG1 . 6919 1 1029 . 1 1 95 95 VAL HG13 H 1 0.449 0.03 . 1 . . . . 95 VAL HG1 . 6919 1 1030 . 1 1 95 95 VAL HG21 H 1 0.574 0.03 . 1 . . . . 95 VAL HG2 . 6919 1 1031 . 1 1 95 95 VAL HG22 H 1 0.574 0.03 . 1 . . . . 95 VAL HG2 . 6919 1 1032 . 1 1 95 95 VAL HG23 H 1 0.574 0.03 . 1 . . . . 95 VAL HG2 . 6919 1 1033 . 1 1 95 95 VAL C C 13 173.244 0.3 . 1 . . . . 95 VAL C . 6919 1 1034 . 1 1 95 95 VAL CA C 13 57.629 0.3 . 1 . . . . 95 VAL CA . 6919 1 1035 . 1 1 95 95 VAL CB C 13 34.975 0.3 . 1 . . . . 95 VAL CB . 6919 1 1036 . 1 1 95 95 VAL CG1 C 13 20.291 0.3 . 1 . . . . 95 VAL CG1 . 6919 1 1037 . 1 1 95 95 VAL CG2 C 13 21.015 0.3 . 1 . . . . 95 VAL CG2 . 6919 1 1038 . 1 1 95 95 VAL N N 15 115.782 0.3 . 1 . . . . 95 VAL N . 6919 1 1039 . 1 1 96 96 TRP H H 1 8.657 0.03 . 1 . . . . 96 TRP H . 6919 1 1040 . 1 1 96 96 TRP HA H 1 6.008 0.03 . 1 . . . . 96 TRP HA . 6919 1 1041 . 1 1 96 96 TRP HB2 H 1 3.001 0.03 . 1 . . . . 96 TRP HB2 . 6919 1 1042 . 1 1 96 96 TRP HB3 H 1 3.001 0.03 . 1 . . . . 96 TRP HB3 . 6919 1 1043 . 1 1 96 96 TRP HD1 H 1 7.310 0.03 . 1 . . . . 96 TRP HD1 . 6919 1 1044 . 1 1 96 96 TRP HE1 H 1 9.640 0.03 . 1 . . . . 96 TRP HE1 . 6919 1 1045 . 1 1 96 96 TRP HE3 H 1 7.210 0.03 . 1 . . . . 96 TRP HE3 . 6919 1 1046 . 1 1 96 96 TRP HZ2 H 1 7.390 0.03 . 1 . . . . 96 TRP HZ2 . 6919 1 1047 . 1 1 96 96 TRP HZ3 H 1 7.410 0.03 . 1 . . . . 96 TRP HZ3 . 6919 1 1048 . 1 1 96 96 TRP HH2 H 1 7.180 0.03 . 1 . . . . 96 TRP HH2 . 6919 1 1049 . 1 1 96 96 TRP C C 13 176.798 0.3 . 1 . . . . 96 TRP C . 6919 1 1050 . 1 1 96 96 TRP CA C 13 55.013 0.3 . 1 . . . . 96 TRP CA . 6919 1 1051 . 1 1 96 96 TRP CB C 13 34.284 0.3 . 1 . . . . 96 TRP CB . 6919 1 1052 . 1 1 96 96 TRP CD1 C 13 126.410 0.3 . 1 . . . . 96 TRP CD1 . 6919 1 1053 . 1 1 96 96 TRP CE3 C 13 124.100 0.3 . 1 . . . . 96 TRP CE3 . 6919 1 1054 . 1 1 96 96 TRP CZ2 C 13 114.120 0.3 . 1 . . . . 96 TRP CZ2 . 6919 1 1055 . 1 1 96 96 TRP CZ3 C 13 131.450 0.3 . 1 . . . . 96 TRP CZ3 . 6919 1 1056 . 1 1 96 96 TRP CH2 C 13 131.540 0.3 . 1 . . . . 96 TRP CH2 . 6919 1 1057 . 1 1 96 96 TRP N N 15 119.578 0.3 . 1 . . . . 96 TRP N . 6919 1 1058 . 1 1 96 96 TRP NE1 N 15 128.251 0.3 . 1 . . . . 96 TRP NE1 . 6919 1 1059 . 1 1 97 97 ARG H H 1 8.947 0.03 . 1 . . . . 97 ARG H . 6919 1 1060 . 1 1 97 97 ARG HA H 1 4.870 0.03 . 1 . . . . 97 ARG HA . 6919 1 1061 . 1 1 97 97 ARG HB2 H 1 1.697 0.03 . 2 . . . . 97 ARG HB2 . 6919 1 1062 . 1 1 97 97 ARG HB3 H 1 1.810 0.03 . 2 . . . . 97 ARG HB3 . 6919 1 1063 . 1 1 97 97 ARG HG2 H 1 1.647 0.03 . 1 . . . . 97 ARG HG2 . 6919 1 1064 . 1 1 97 97 ARG HG3 H 1 1.647 0.03 . 1 . . . . 97 ARG HG3 . 6919 1 1065 . 1 1 97 97 ARG HD2 H 1 3.089 0.03 . 1 . . . . 97 ARG HD2 . 6919 1 1066 . 1 1 97 97 ARG HD3 H 1 3.089 0.03 . 1 . . . . 97 ARG HD3 . 6919 1 1067 . 1 1 97 97 ARG C C 13 173.792 0.3 . 1 . . . . 97 ARG C . 6919 1 1068 . 1 1 97 97 ARG CA C 13 55.029 0.3 . 1 . . . . 97 ARG CA . 6919 1 1069 . 1 1 97 97 ARG CB C 13 34.975 0.3 . 1 . . . . 97 ARG CB . 6919 1 1070 . 1 1 97 97 ARG CG C 13 27.436 0.3 . 1 . . . . 97 ARG CG . 6919 1 1071 . 1 1 97 97 ARG CD C 13 43.801 0.3 . 1 . . . . 97 ARG CD . 6919 1 1072 . 1 1 97 97 ARG N N 15 118.076 0.3 . 1 . . . . 97 ARG N . 6919 1 1073 . 1 1 98 98 TRP H H 1 9.010 0.03 . 1 . . . . 98 TRP H . 6919 1 1074 . 1 1 98 98 TRP HA H 1 5.185 0.03 . 1 . . . . 98 TRP HA . 6919 1 1075 . 1 1 98 98 TRP HB2 H 1 2.947 0.03 . 2 . . . . 98 TRP HB2 . 6919 1 1076 . 1 1 98 98 TRP HB3 H 1 3.124 0.03 . 2 . . . . 98 TRP HB3 . 6919 1 1077 . 1 1 98 98 TRP HD1 H 1 6.920 0.03 . 1 . . . . 98 TRP HD1 . 6919 1 1078 . 1 1 98 98 TRP HE1 H 1 10.209 0.03 . 1 . . . . 98 TRP HE1 . 6919 1 1079 . 1 1 98 98 TRP HE3 H 1 7.210 0.03 . 1 . . . . 98 TRP HE3 . 6919 1 1080 . 1 1 98 98 TRP HZ2 H 1 7.390 0.03 . 1 . . . . 98 TRP HZ2 . 6919 1 1081 . 1 1 98 98 TRP C C 13 175.376 0.3 . 1 . . . . 98 TRP C . 6919 1 1082 . 1 1 98 98 TRP CA C 13 56.458 0.3 . 1 . . . . 98 TRP CA . 6919 1 1083 . 1 1 98 98 TRP CB C 13 31.161 0.3 . 1 . . . . 98 TRP CB . 6919 1 1084 . 1 1 98 98 TRP CD1 C 13 125.930 0.3 . 1 . . . . 98 TRP CD1 . 6919 1 1085 . 1 1 98 98 TRP N N 15 125.759 0.3 . 1 . . . . 98 TRP N . 6919 1 1086 . 1 1 98 98 TRP NE1 N 15 128.098 0.3 . 1 . . . . 98 TRP NE1 . 6919 1 1087 . 1 1 99 99 ILE H H 1 8.614 0.03 . 1 . . . . 99 ILE H . 6919 1 1088 . 1 1 99 99 ILE HA H 1 4.136 0.03 . 1 . . . . 99 ILE HA . 6919 1 1089 . 1 1 99 99 ILE HB H 1 1.685 0.03 . 1 . . . . 99 ILE HB . 6919 1 1090 . 1 1 99 99 ILE HG12 H 1 0.964 0.03 . 2 . . . . 99 ILE HG12 . 6919 1 1091 . 1 1 99 99 ILE HG13 H 1 1.140 0.03 . 2 . . . . 99 ILE HG13 . 6919 1 1092 . 1 1 99 99 ILE HG21 H 1 0.669 0.03 . 1 . . . . 99 ILE HG2 . 6919 1 1093 . 1 1 99 99 ILE HG22 H 1 0.669 0.03 . 1 . . . . 99 ILE HG2 . 6919 1 1094 . 1 1 99 99 ILE HG23 H 1 0.669 0.03 . 1 . . . . 99 ILE HG2 . 6919 1 1095 . 1 1 99 99 ILE HD11 H 1 0.647 0.03 . 1 . . . . 99 ILE HD1 . 6919 1 1096 . 1 1 99 99 ILE HD12 H 1 0.647 0.03 . 1 . . . . 99 ILE HD1 . 6919 1 1097 . 1 1 99 99 ILE HD13 H 1 0.647 0.03 . 1 . . . . 99 ILE HD1 . 6919 1 1098 . 1 1 99 99 ILE C C 13 174.443 0.3 . 1 . . . . 99 ILE C . 6919 1 1099 . 1 1 99 99 ILE CA C 13 59.227 0.3 . 1 . . . . 99 ILE CA . 6919 1 1100 . 1 1 99 99 ILE CB C 13 38.233 0.3 . 1 . . . . 99 ILE CB . 6919 1 1101 . 1 1 99 99 ILE CG1 C 13 26.570 0.3 . 1 . . . . 99 ILE CG1 . 6919 1 1102 . 1 1 99 99 ILE CG2 C 13 17.889 0.3 . 1 . . . . 99 ILE CG2 . 6919 1 1103 . 1 1 99 99 ILE CD1 C 13 12.559 0.3 . 1 . . . . 99 ILE CD1 . 6919 1 1104 . 1 1 99 99 ILE N N 15 127.897 0.3 . 1 . . . . 99 ILE N . 6919 1 1105 . 1 1 100 100 GLN H H 1 7.934 0.03 . 1 . . . . 100 GLN H . 6919 1 1106 . 1 1 100 100 GLN HA H 1 4.448 0.03 . 1 . . . . 100 GLN HA . 6919 1 1107 . 1 1 100 100 GLN HB2 H 1 1.936 0.03 . 2 . . . . 100 GLN HB2 . 6919 1 1108 . 1 1 100 100 GLN HB3 H 1 2.030 0.03 . 2 . . . . 100 GLN HB3 . 6919 1 1109 . 1 1 100 100 GLN HG2 H 1 2.446 0.03 . 1 . . . . 100 GLN HG2 . 6919 1 1110 . 1 1 100 100 GLN HG3 H 1 2.446 0.03 . 1 . . . . 100 GLN HG3 . 6919 1 1111 . 1 1 100 100 GLN HE21 H 1 6.998 0.03 . 1 . . . . 100 GLN HE21 . 6919 1 1112 . 1 1 100 100 GLN HE22 H 1 7.648 0.03 . 1 . . . . 100 GLN HE22 . 6919 1 1113 . 1 1 100 100 GLN C C 13 173.956 0.3 . 1 . . . . 100 GLN C . 6919 1 1114 . 1 1 100 100 GLN CA C 13 53.176 0.3 . 1 . . . . 100 GLN CA . 6919 1 1115 . 1 1 100 100 GLN CB C 13 29.392 0.3 . 1 . . . . 100 GLN CB . 6919 1 1116 . 1 1 100 100 GLN CG C 13 33.119 0.3 . 1 . . . . 100 GLN CG . 6919 1 1117 . 1 1 100 100 GLN N N 15 124.957 0.3 . 1 . . . . 100 GLN N . 6919 1 1118 . 1 1 100 100 GLN NE2 N 15 112.159 0.3 . 1 . . . . 100 GLN NE2 . 6919 1 1119 . 1 1 101 101 PRO HA H 1 4.405 0.03 . 1 . . . . 101 PRO HA . 6919 1 1120 . 1 1 101 101 PRO HB2 H 1 1.914 0.03 . 2 . . . . 101 PRO HB2 . 6919 1 1121 . 1 1 101 101 PRO HB3 H 1 2.270 0.03 . 2 . . . . 101 PRO HB3 . 6919 1 1122 . 1 1 101 101 PRO HG2 H 1 1.902 0.03 . 2 . . . . 101 PRO HG2 . 6919 1 1123 . 1 1 101 101 PRO HG3 H 1 2.033 0.03 . 2 . . . . 101 PRO HG3 . 6919 1 1124 . 1 1 101 101 PRO HD2 H 1 3.662 0.03 . 2 . . . . 101 PRO HD2 . 6919 1 1125 . 1 1 101 101 PRO HD3 H 1 3.749 0.03 . 2 . . . . 101 PRO HD3 . 6919 1 1126 . 1 1 101 101 PRO C C 13 176.752 0.3 . 1 . . . . 101 PRO C . 6919 1 1127 . 1 1 101 101 PRO CA C 13 62.960 0.3 . 1 . . . . 101 PRO CA . 6919 1 1128 . 1 1 101 101 PRO CB C 13 32.238 0.3 . 1 . . . . 101 PRO CB . 6919 1 1129 . 1 1 101 101 PRO CG C 13 27.419 0.3 . 1 . . . . 101 PRO CG . 6919 1 1130 . 1 1 101 101 PRO CD C 13 50.879 0.3 . 1 . . . . 101 PRO CD . 6919 1 1131 . 1 1 102 102 SER H H 1 8.404 0.03 . 1 . . . . 102 SER H . 6919 1 1132 . 1 1 102 102 SER HA H 1 4.410 0.03 . 1 . . . . 102 SER HA . 6919 1 1133 . 1 1 102 102 SER HB2 H 1 3.863 0.03 . 1 . . . . 102 SER HB2 . 6919 1 1134 . 1 1 102 102 SER HB3 H 1 3.863 0.03 . 1 . . . . 102 SER HB3 . 6919 1 1135 . 1 1 102 102 SER C C 13 174.200 0.3 . 1 . . . . 102 SER C . 6919 1 1136 . 1 1 102 102 SER CA C 13 58.371 0.3 . 1 . . . . 102 SER CA . 6919 1 1137 . 1 1 102 102 SER CB C 13 63.516 0.3 . 1 . . . . 102 SER CB . 6919 1 1138 . 1 1 102 102 SER N N 15 116.064 0.3 . 1 . . . . 102 SER N . 6919 1 1139 . 1 1 103 103 ALA H H 1 8.379 0.03 . 1 . . . . 103 ALA H . 6919 1 1140 . 1 1 103 103 ALA HA H 1 4.380 0.03 . 1 . . . . 103 ALA HA . 6919 1 1141 . 1 1 103 103 ALA HB1 H 1 1.407 0.03 . 1 . . . . 103 ALA HB . 6919 1 1142 . 1 1 103 103 ALA HB2 H 1 1.407 0.03 . 1 . . . . 103 ALA HB . 6919 1 1143 . 1 1 103 103 ALA HB3 H 1 1.407 0.03 . 1 . . . . 103 ALA HB . 6919 1 1144 . 1 1 103 103 ALA C C 13 177.500 0.3 . 1 . . . . 103 ALA C . 6919 1 1145 . 1 1 103 103 ALA CA C 13 52.547 0.3 . 1 . . . . 103 ALA CA . 6919 1 1146 . 1 1 103 103 ALA CB C 13 19.771 0.3 . 1 . . . . 103 ALA CB . 6919 1 1147 . 1 1 103 103 ALA N N 15 125.296 0.3 . 1 . . . . 103 ALA N . 6919 1 1148 . 1 1 104 104 SER H H 1 8.255 0.03 . 1 . . . . 104 SER H . 6919 1 1149 . 1 1 104 104 SER HA H 1 4.410 0.03 . 1 . . . . 104 SER HA . 6919 1 1150 . 1 1 104 104 SER HB2 H 1 3.863 0.03 . 1 . . . . 104 SER HB2 . 6919 1 1151 . 1 1 104 104 SER HB3 H 1 3.863 0.03 . 1 . . . . 104 SER HB3 . 6919 1 1152 . 1 1 104 104 SER C C 13 174.481 0.3 . 1 . . . . 104 SER C . 6919 1 1153 . 1 1 104 104 SER CA C 13 58.371 0.3 . 1 . . . . 104 SER CA . 6919 1 1154 . 1 1 104 104 SER CB C 13 63.516 0.3 . 1 . . . . 104 SER CB . 6919 1 1155 . 1 1 104 104 SER N N 15 114.078 0.3 . 1 . . . . 104 SER N . 6919 1 1156 . 1 1 105 105 CYS H H 1 7.920 0.03 . 1 . . . . 105 CYS H . 6919 1 1157 . 1 1 105 105 CYS N N 15 127.570 0.3 . 1 . . . . 105 CYS N . 6919 1 1158 . 1 1 108 108 ILE H H 1 8.121 0.03 . 1 . . . . 108 ILE H . 6919 1 1159 . 1 1 108 108 ILE HB H 1 1.828 0.03 . 1 . . . . 108 ILE HB . 6919 1 1160 . 1 1 108 108 ILE HG12 H 1 1.151 0.03 . 2 . . . . 108 ILE HG12 . 6919 1 1161 . 1 1 108 108 ILE HG13 H 1 1.448 0.03 . 2 . . . . 108 ILE HG13 . 6919 1 1162 . 1 1 108 108 ILE HG21 H 1 0.860 0.03 . 1 . . . . 108 ILE HG2 . 6919 1 1163 . 1 1 108 108 ILE HG22 H 1 0.860 0.03 . 1 . . . . 108 ILE HG2 . 6919 1 1164 . 1 1 108 108 ILE HG23 H 1 0.860 0.03 . 1 . . . . 108 ILE HG2 . 6919 1 1165 . 1 1 108 108 ILE HD11 H 1 0.824 0.03 . 1 . . . . 108 ILE HD1 . 6919 1 1166 . 1 1 108 108 ILE HD12 H 1 0.824 0.03 . 1 . . . . 108 ILE HD1 . 6919 1 1167 . 1 1 108 108 ILE HD13 H 1 0.824 0.03 . 1 . . . . 108 ILE HD1 . 6919 1 1168 . 1 1 108 108 ILE C C 13 175.657 0.3 . 1 . . . . 108 ILE C . 6919 1 1169 . 1 1 108 108 ILE CB C 13 38.698 0.3 . 1 . . . . 108 ILE CB . 6919 1 1170 . 1 1 108 108 ILE CG1 C 13 27.219 0.3 . 1 . . . . 108 ILE CG1 . 6919 1 1171 . 1 1 108 108 ILE CG2 C 13 17.706 0.3 . 1 . . . . 108 ILE CG2 . 6919 1 1172 . 1 1 108 108 ILE CD1 C 13 13.089 0.3 . 1 . . . . 108 ILE CD1 . 6919 1 1173 . 1 1 108 108 ILE N N 15 121.553 0.3 . 1 . . . . 108 ILE N . 6919 1 1174 . 1 1 109 109 LEU H H 1 8.288 0.03 . 1 . . . . 109 LEU H . 6919 1 1175 . 1 1 109 109 LEU HA H 1 4.385 0.03 . 1 . . . . 109 LEU HA . 6919 1 1176 . 1 1 109 109 LEU HB2 H 1 1.594 0.03 . 1 . . . . 109 LEU HB2 . 6919 1 1177 . 1 1 109 109 LEU HB3 H 1 1.594 0.03 . 1 . . . . 109 LEU HB3 . 6919 1 1178 . 1 1 109 109 LEU HG H 1 1.545 0.03 . 1 . . . . 109 LEU HG . 6919 1 1179 . 1 1 109 109 LEU HD11 H 1 0.811 0.03 . 1 . . . . 109 LEU HD1 . 6919 1 1180 . 1 1 109 109 LEU HD12 H 1 0.811 0.03 . 1 . . . . 109 LEU HD1 . 6919 1 1181 . 1 1 109 109 LEU HD13 H 1 0.811 0.03 . 1 . . . . 109 LEU HD1 . 6919 1 1182 . 1 1 109 109 LEU HD21 H 1 0.900 0.03 . 1 . . . . 109 LEU HD2 . 6919 1 1183 . 1 1 109 109 LEU HD22 H 1 0.900 0.03 . 1 . . . . 109 LEU HD2 . 6919 1 1184 . 1 1 109 109 LEU HD23 H 1 0.900 0.03 . 1 . . . . 109 LEU HD2 . 6919 1 1185 . 1 1 109 109 LEU C C 13 176.387 0.3 . 1 . . . . 109 LEU C . 6919 1 1186 . 1 1 109 109 LEU CA C 13 54.980 0.3 . 1 . . . . 109 LEU CA . 6919 1 1187 . 1 1 109 109 LEU CB C 13 42.650 0.3 . 1 . . . . 109 LEU CB . 6919 1 1188 . 1 1 109 109 LEU CG C 13 26.935 0.3 . 1 . . . . 109 LEU CG . 6919 1 1189 . 1 1 109 109 LEU N N 15 126.214 0.3 . 1 . . . . 109 LEU N . 6919 1 1190 . 1 1 110 110 VAL H H 1 8.138 0.03 . 1 . . . . 110 VAL H . 6919 1 1191 . 1 1 110 110 VAL HA H 1 4.065 0.03 . 1 . . . . 110 VAL HA . 6919 1 1192 . 1 1 110 110 VAL HB H 1 1.970 0.03 . 1 . . . . 110 VAL HB . 6919 1 1193 . 1 1 110 110 VAL HG11 H 1 0.893 0.03 . 1 . . . . 110 VAL HG1 . 6919 1 1194 . 1 1 110 110 VAL HG12 H 1 0.893 0.03 . 1 . . . . 110 VAL HG1 . 6919 1 1195 . 1 1 110 110 VAL HG13 H 1 0.893 0.03 . 1 . . . . 110 VAL HG1 . 6919 1 1196 . 1 1 110 110 VAL C C 13 175.338 0.3 . 1 . . . . 110 VAL C . 6919 1 1197 . 1 1 110 110 VAL CA C 13 61.988 0.3 . 1 . . . . 110 VAL CA . 6919 1 1198 . 1 1 110 110 VAL CB C 13 32.797 0.3 . 1 . . . . 110 VAL CB . 6919 1 1199 . 1 1 110 110 VAL N N 15 122.603 0.3 . 1 . . . . 110 VAL N . 6919 1 1200 . 1 1 111 111 ILE H H 1 8.232 0.03 . 1 . . . . 111 ILE H . 6919 1 1201 . 1 1 111 111 ILE HA H 1 4.431 0.03 . 1 . . . . 111 ILE HA . 6919 1 1202 . 1 1 111 111 ILE HB H 1 1.829 0.03 . 1 . . . . 111 ILE HB . 6919 1 1203 . 1 1 111 111 ILE HG12 H 1 1.151 0.03 . 2 . . . . 111 ILE HG12 . 6919 1 1204 . 1 1 111 111 ILE HG13 H 1 1.448 0.03 . 2 . . . . 111 ILE HG13 . 6919 1 1205 . 1 1 111 111 ILE HG21 H 1 0.860 0.03 . 1 . . . . 111 ILE HG2 . 6919 1 1206 . 1 1 111 111 ILE HG22 H 1 0.860 0.03 . 1 . . . . 111 ILE HG2 . 6919 1 1207 . 1 1 111 111 ILE HG23 H 1 0.860 0.03 . 1 . . . . 111 ILE HG2 . 6919 1 1208 . 1 1 111 111 ILE HD11 H 1 0.824 0.03 . 1 . . . . 111 ILE HD1 . 6919 1 1209 . 1 1 111 111 ILE HD12 H 1 0.824 0.03 . 1 . . . . 111 ILE HD1 . 6919 1 1210 . 1 1 111 111 ILE HD13 H 1 0.824 0.03 . 1 . . . . 111 ILE HD1 . 6919 1 1211 . 1 1 111 111 ILE C C 13 174.309 0.3 . 1 . . . . 111 ILE C . 6919 1 1212 . 1 1 111 111 ILE CA C 13 58.328 0.3 . 1 . . . . 111 ILE CA . 6919 1 1213 . 1 1 111 111 ILE CB C 13 38.698 0.3 . 1 . . . . 111 ILE CB . 6919 1 1214 . 1 1 111 111 ILE CG1 C 13 27.219 0.3 . 1 . . . . 111 ILE CG1 . 6919 1 1215 . 1 1 111 111 ILE CG2 C 13 17.706 0.3 . 1 . . . . 111 ILE CG2 . 6919 1 1216 . 1 1 111 111 ILE CD1 C 13 13.089 0.3 . 1 . . . . 111 ILE CD1 . 6919 1 1217 . 1 1 111 111 ILE N N 15 126.208 0.3 . 1 . . . . 111 ILE N . 6919 1 1218 . 1 1 112 112 PRO HD2 H 1 3.623 0.03 . 2 . . . . 112 PRO HD2 . 6919 1 1219 . 1 1 112 112 PRO HD3 H 1 3.865 0.03 . 2 . . . . 112 PRO HD3 . 6919 1 1220 . 1 1 112 112 PRO CD C 13 51.152 0.3 . 1 . . . . 112 PRO CD . 6919 1 stop_ save_