data_6337 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6337 _Entry.Title ; Solution Structure of Ubiquitin like protein from Mus musculus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-05 _Entry.Accession_date 2004-10-05 _Entry.Last_release_date 2004-10-12 _Entry.Original_release_date 2004-10-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shanteri Singh . . . 6337 2 Marco Tonelli . . . 6337 3 Robert Tyler . C. . 6337 4 Min Lee . S. . 6337 5 John Markley . L. . 6337 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6337 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 717 6337 '13C chemical shifts' 419 6337 '15N chemical shifts' 104 6337 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-10-12 2004-10-05 original author . 6337 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6337 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of Ubiquitin like protein from Mus musculus' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shanteri Singh . . . 6337 1 2 Marco Tonelli . . . 6337 1 3 Robert Tyler . C. . 6337 1 4 Min Lee . S. . 6337 1 5 John Markley . L. . 6337 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system_AAH26994 _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system_AAH26994 _Assembly.Entry_ID 6337 _Assembly.ID 1 _Assembly.Name AAH26994 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6337 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 AAH26994 1 $AAH26994 . . . native . . . . . 6337 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID AAH26994 system 6337 1 AAH26994 abbreviation 6337 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AAH26994 _Entity.Sf_category entity _Entity.Sf_framecode AAH26994 _Entity.Entry_ID 6337 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AAH26994 _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 ; SAAPLCVKVEFGGGAELLFD GVKKHQVALPGQEEPWDIRN LLVWIKKNLLKERPELFIQG DSVRPGILVLINDADWELLG ELDYQLQDQDSILFISTLHG G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11258 . "ThiS domain" . . . . . 99.01 114 100.00 100.00 3.67e-64 . . . . 6337 1 2 no PDB 1WGK . "Solution Structure Of Mouse Hypothetical Protein 2900073h19rik" . . . . . 99.01 114 100.00 100.00 3.67e-64 . . . . 6337 1 3 no PDB 1XO3 . "Solution Structure Of Ubiquitin Like Protein From Mus Musculus" . . . . . 100.00 101 100.00 100.00 1.83e-64 . . . . 6337 1 4 no DBJ BAB31673 . "unnamed protein product [Mus musculus]" . . . . . 99.01 101 100.00 100.00 6.64e-64 . . . . 6337 1 5 no DBJ BAC33621 . "unnamed protein product [Mus musculus]" . . . . . 99.01 101 99.00 99.00 7.00e-63 . . . . 6337 1 6 no DBJ BAC33956 . "unnamed protein product [Mus musculus]" . . . . . 99.01 101 100.00 100.00 6.64e-64 . . . . 6337 1 7 no GB AAH26994 . "Ubiquitin related modifier 1 homolog (S. cerevisiae) [Mus musculus]" . . . . . 99.01 101 100.00 100.00 6.64e-64 . . . . 6337 1 8 no GB AAI69094 . "Urm1 protein [Rattus norvegicus]" . . . . . 99.01 101 97.00 98.00 4.09e-62 . . . . 6337 1 9 no GB EDL08423 . "RIKEN cDNA 2900073H19, isoform CRA_a [Mus musculus]" . . . . . 99.01 101 100.00 100.00 6.64e-64 . . . . 6337 1 10 no GB ELW61997 . "Ubiquitin-related modifier 1 like protein [Tupaia chinensis]" . . . . . 88.12 136 97.75 98.88 3.01e-54 . . . . 6337 1 11 no GB EPY83293 . "ubiquitin-related modifier 1-like protein [Camelus ferus]" . . . . . 99.01 120 97.00 98.00 2.87e-61 . . . . 6337 1 12 no REF NP_001131034 . "ubiquitin-related modifier 1 [Rattus norvegicus]" . . . . . 99.01 101 97.00 98.00 4.09e-62 . . . . 6337 1 13 no REF NP_080891 . "ubiquitin-related modifier 1 [Mus musculus]" . . . . . 99.01 101 100.00 100.00 6.64e-64 . . . . 6337 1 14 no REF XP_001500842 . "PREDICTED: ubiquitin-related modifier 1 homolog [Equus caballus]" . . . . . 99.01 101 97.00 98.00 1.67e-61 . . . . 6337 1 15 no REF XP_006154072 . "PREDICTED: ubiquitin-related modifier 1 isoform X1 [Tupaia chinensis]" . . . . . 88.12 115 97.75 98.88 1.99e-54 . . . . 6337 1 16 no REF XP_006154073 . "PREDICTED: ubiquitin-related modifier 1 isoform X2 [Tupaia chinensis]" . . . . . 88.12 111 97.75 98.88 2.92e-54 . . . . 6337 1 17 no SP Q9D2P4 . "RecName: Full=Ubiquitin-related modifier 1 [Mus musculus]" . . . . . 99.01 101 100.00 100.00 6.64e-64 . . . . 6337 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID AAH26994 common 6337 1 AAH26994 abbreviation 6337 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 . SER . 6337 1 2 . ALA . 6337 1 3 . ALA . 6337 1 4 . PRO . 6337 1 5 . LEU . 6337 1 6 . CYS . 6337 1 7 . VAL . 6337 1 8 . LYS . 6337 1 9 . VAL . 6337 1 10 . GLU . 6337 1 11 . PHE . 6337 1 12 . GLY . 6337 1 13 . GLY . 6337 1 14 . GLY . 6337 1 15 . ALA . 6337 1 16 . GLU . 6337 1 17 . LEU . 6337 1 18 . LEU . 6337 1 19 . PHE . 6337 1 20 . ASP . 6337 1 21 . GLY . 6337 1 22 . VAL . 6337 1 23 . LYS . 6337 1 24 . LYS . 6337 1 25 . HIS . 6337 1 26 . GLN . 6337 1 27 . VAL . 6337 1 28 . ALA . 6337 1 29 . LEU . 6337 1 30 . PRO . 6337 1 31 . GLY . 6337 1 32 . GLN . 6337 1 33 . GLU . 6337 1 34 . GLU . 6337 1 35 . PRO . 6337 1 36 . TRP . 6337 1 37 . ASP . 6337 1 38 . ILE . 6337 1 39 . ARG . 6337 1 40 . ASN . 6337 1 41 . LEU . 6337 1 42 . LEU . 6337 1 43 . VAL . 6337 1 44 . TRP . 6337 1 45 . ILE . 6337 1 46 . LYS . 6337 1 47 . LYS . 6337 1 48 . ASN . 6337 1 49 . LEU . 6337 1 50 . LEU . 6337 1 51 . LYS . 6337 1 52 . GLU . 6337 1 53 . ARG . 6337 1 54 . PRO . 6337 1 55 . GLU . 6337 1 56 . LEU . 6337 1 57 . PHE . 6337 1 58 . ILE . 6337 1 59 . GLN . 6337 1 60 . GLY . 6337 1 61 . ASP . 6337 1 62 . SER . 6337 1 63 . VAL . 6337 1 64 . ARG . 6337 1 65 . PRO . 6337 1 66 . GLY . 6337 1 67 . ILE . 6337 1 68 . LEU . 6337 1 69 . VAL . 6337 1 70 . LEU . 6337 1 71 . ILE . 6337 1 72 . ASN . 6337 1 73 . ASP . 6337 1 74 . ALA . 6337 1 75 . ASP . 6337 1 76 . TRP . 6337 1 77 . GLU . 6337 1 78 . LEU . 6337 1 79 . LEU . 6337 1 80 . GLY . 6337 1 81 . GLU . 6337 1 82 . LEU . 6337 1 83 . ASP . 6337 1 84 . TYR . 6337 1 85 . GLN . 6337 1 86 . LEU . 6337 1 87 . GLN . 6337 1 88 . ASP . 6337 1 89 . GLN . 6337 1 90 . ASP . 6337 1 91 . SER . 6337 1 92 . ILE . 6337 1 93 . LEU . 6337 1 94 . PHE . 6337 1 95 . ILE . 6337 1 96 . SER . 6337 1 97 . THR . 6337 1 98 . LEU . 6337 1 99 . HIS . 6337 1 100 . GLY . 6337 1 101 . GLY . 6337 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 . SER 1 1 6337 1 . ALA 2 2 6337 1 . ALA 3 3 6337 1 . PRO 4 4 6337 1 . LEU 5 5 6337 1 . CYS 6 6 6337 1 . VAL 7 7 6337 1 . LYS 8 8 6337 1 . VAL 9 9 6337 1 . GLU 10 10 6337 1 . PHE 11 11 6337 1 . GLY 12 12 6337 1 . GLY 13 13 6337 1 . GLY 14 14 6337 1 . ALA 15 15 6337 1 . GLU 16 16 6337 1 . LEU 17 17 6337 1 . LEU 18 18 6337 1 . PHE 19 19 6337 1 . ASP 20 20 6337 1 . GLY 21 21 6337 1 . VAL 22 22 6337 1 . LYS 23 23 6337 1 . LYS 24 24 6337 1 . HIS 25 25 6337 1 . GLN 26 26 6337 1 . VAL 27 27 6337 1 . ALA 28 28 6337 1 . LEU 29 29 6337 1 . PRO 30 30 6337 1 . GLY 31 31 6337 1 . GLN 32 32 6337 1 . GLU 33 33 6337 1 . GLU 34 34 6337 1 . PRO 35 35 6337 1 . TRP 36 36 6337 1 . ASP 37 37 6337 1 . ILE 38 38 6337 1 . ARG 39 39 6337 1 . ASN 40 40 6337 1 . LEU 41 41 6337 1 . LEU 42 42 6337 1 . VAL 43 43 6337 1 . TRP 44 44 6337 1 . ILE 45 45 6337 1 . LYS 46 46 6337 1 . LYS 47 47 6337 1 . ASN 48 48 6337 1 . LEU 49 49 6337 1 . LEU 50 50 6337 1 . LYS 51 51 6337 1 . GLU 52 52 6337 1 . ARG 53 53 6337 1 . PRO 54 54 6337 1 . GLU 55 55 6337 1 . LEU 56 56 6337 1 . PHE 57 57 6337 1 . ILE 58 58 6337 1 . GLN 59 59 6337 1 . GLY 60 60 6337 1 . ASP 61 61 6337 1 . SER 62 62 6337 1 . VAL 63 63 6337 1 . ARG 64 64 6337 1 . PRO 65 65 6337 1 . GLY 66 66 6337 1 . ILE 67 67 6337 1 . LEU 68 68 6337 1 . VAL 69 69 6337 1 . LEU 70 70 6337 1 . ILE 71 71 6337 1 . ASN 72 72 6337 1 . ASP 73 73 6337 1 . ALA 74 74 6337 1 . ASP 75 75 6337 1 . TRP 76 76 6337 1 . GLU 77 77 6337 1 . LEU 78 78 6337 1 . LEU 79 79 6337 1 . GLY 80 80 6337 1 . GLU 81 81 6337 1 . LEU 82 82 6337 1 . ASP 83 83 6337 1 . TYR 84 84 6337 1 . GLN 85 85 6337 1 . LEU 86 86 6337 1 . GLN 87 87 6337 1 . ASP 88 88 6337 1 . GLN 89 89 6337 1 . ASP 90 90 6337 1 . SER 91 91 6337 1 . ILE 92 92 6337 1 . LEU 93 93 6337 1 . PHE 94 94 6337 1 . ILE 95 95 6337 1 . SER 96 96 6337 1 . THR 97 97 6337 1 . LEU 98 98 6337 1 . HIS 99 99 6337 1 . GLY 100 100 6337 1 . GLY 101 101 6337 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 6337 _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 $AAH26994 . 10090 organism . 'Mus musculus' 'Mus musculus' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6337 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 6337 _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 $AAH26994 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6337 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6337 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AAH26994 '[U-15N; U-13C]' . . 1 $AAH26994 . . 1 1 1.1 mM . . . . 6337 1 2 'Bis-Tris buffer' . . . . . . . 5 . . mM . . . . 6337 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6337 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Buffer conditions: 5mM Bis-Tris buffer ; 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 6.5 0.2 pH 6337 1 temperature 298 1 K 6337 1 'ionic strength' 0.05 0.005 M 6337 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6337 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6337 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer VARIAN INOVA . 800 . . . 6337 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6337 _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 '15-1H HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6337 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6337 1 3 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6337 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6337 1 5 HBHACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6337 1 6 HCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6337 1 7 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6337 1 8 CCOTOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6337 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6337 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15-1H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6337 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6337 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6337 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6337 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6337 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6337 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6337 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CCOTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6337 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6337 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6337 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6337 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6337 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6337 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER CA C 13 55.413 0.3 . 1 . . . . . . . . 6337 1 2 . 1 1 1 1 SER HA H 1 4.475 0.03 . 1 . . . . . . . . 6337 1 3 . 1 1 1 1 SER CB C 13 66.596 0.3 . 1 . . . . . . . . 6337 1 4 . 1 1 1 1 SER C C 13 176.749 0.3 . 1 . . . . . . . . 6337 1 5 . 1 1 2 2 ALA N N 15 126.362 0.3 . 1 . . . . . . . . 6337 1 6 . 1 1 2 2 ALA H H 1 8.289 0.03 . 1 . . . . . . . . 6337 1 7 . 1 1 2 2 ALA CA C 13 52.013 0.3 . 1 . . . . . . . . 6337 1 8 . 1 1 2 2 ALA HA H 1 4.492 0.03 . 1 . . . . . . . . 6337 1 9 . 1 1 2 2 ALA CB C 13 20.032 0.3 . 1 . . . . . . . . 6337 1 10 . 1 1 2 2 ALA HB1 H 1 1.343 0.03 . 1 . . . . . . . . 6337 1 11 . 1 1 2 2 ALA HB2 H 1 1.343 0.03 . 1 . . . . . . . . 6337 1 12 . 1 1 2 2 ALA HB3 H 1 1.343 0.03 . 1 . . . . . . . . 6337 1 13 . 1 1 2 2 ALA C C 13 176.749 0.3 . 1 . . . . . . . . 6337 1 14 . 1 1 3 3 ALA N N 15 126.340 0.3 . 1 . . . . . . . . 6337 1 15 . 1 1 3 3 ALA H H 1 8.245 0.03 . 1 . . . . . . . . 6337 1 16 . 1 1 3 3 ALA CA C 13 50.648 0.3 . 1 . . . . . . . . 6337 1 17 . 1 1 3 3 ALA HA H 1 4.611 0.03 . 1 . . . . . . . . 6337 1 18 . 1 1 3 3 ALA CB C 13 18.433 0.3 . 1 . . . . . . . . 6337 1 19 . 1 1 3 3 ALA HB1 H 1 1.400 0.03 . 1 . . . . . . . . 6337 1 20 . 1 1 3 3 ALA HB2 H 1 1.400 0.03 . 1 . . . . . . . . 6337 1 21 . 1 1 3 3 ALA HB3 H 1 1.400 0.03 . 1 . . . . . . . . 6337 1 22 . 1 1 4 4 PRO CA C 13 62.871 0.3 . 1 . . . . . . . . 6337 1 23 . 1 1 4 4 PRO HA H 1 4.447 0.03 . 1 . . . . . . . . 6337 1 24 . 1 1 4 4 PRO CB C 13 32.507 0.3 . 1 . . . . . . . . 6337 1 25 . 1 1 4 4 PRO HB3 H 1 2.296 0.03 . 2 . . . . . . . . 6337 1 26 . 1 1 4 4 PRO HB2 H 1 1.774 0.03 . 2 . . . . . . . . 6337 1 27 . 1 1 4 4 PRO CG C 13 27.373 0.3 . 1 . . . . . . . . 6337 1 28 . 1 1 4 4 PRO HG3 H 1 2.366 0.03 . 2 . . . . . . . . 6337 1 29 . 1 1 4 4 PRO HG2 H 1 1.988 0.03 . 2 . . . . . . . . 6337 1 30 . 1 1 4 4 PRO CD C 13 50.360 0.3 . 1 . . . . . . . . 6337 1 31 . 1 1 4 4 PRO HD3 H 1 3.666 0.03 . 2 . . . . . . . . 6337 1 32 . 1 1 4 4 PRO HD2 H 1 3.764 0.03 . 2 . . . . . . . . 6337 1 33 . 1 1 4 4 PRO C C 13 175.772 0.3 . 1 . . . . . . . . 6337 1 34 . 1 1 5 5 LEU N N 15 121.324 0.3 . 1 . . . . . . . . 6337 1 35 . 1 1 5 5 LEU H H 1 8.076 0.03 . 1 . . . . . . . . 6337 1 36 . 1 1 5 5 LEU CA C 13 54.667 0.3 . 1 . . . . . . . . 6337 1 37 . 1 1 5 5 LEU HA H 1 4.554 0.03 . 1 . . . . . . . . 6337 1 38 . 1 1 5 5 LEU CB C 13 45.003 0.3 . 1 . . . . . . . . 6337 1 39 . 1 1 5 5 LEU HB3 H 1 1.393 0.03 . 1 . . . . . . . . 6337 1 40 . 1 1 5 5 LEU HB2 H 1 1.393 0.03 . 1 . . . . . . . . 6337 1 41 . 1 1 5 5 LEU HG H 1 1.395 0.03 . 1 . . . . . . . . 6337 1 42 . 1 1 5 5 LEU CD1 C 13 26.217 0.3 . 1 . . . . . . . . 6337 1 43 . 1 1 5 5 LEU HD11 H 1 0.663 0.03 . 2 . . . . . . . . 6337 1 44 . 1 1 5 5 LEU HD12 H 1 0.663 0.03 . 2 . . . . . . . . 6337 1 45 . 1 1 5 5 LEU HD13 H 1 0.663 0.03 . 2 . . . . . . . . 6337 1 46 . 1 1 5 5 LEU CD2 C 13 22.960 0.3 . 1 . . . . . . . . 6337 1 47 . 1 1 5 5 LEU HD21 H 1 0.854 0.03 . 2 . . . . . . . . 6337 1 48 . 1 1 5 5 LEU HD22 H 1 0.854 0.03 . 2 . . . . . . . . 6337 1 49 . 1 1 5 5 LEU HD23 H 1 0.854 0.03 . 2 . . . . . . . . 6337 1 50 . 1 1 5 5 LEU C C 13 174.718 0.3 . 1 . . . . . . . . 6337 1 51 . 1 1 6 6 CYS N N 15 122.707 0.3 . 1 . . . . . . . . 6337 1 52 . 1 1 6 6 CYS H H 1 8.811 0.03 . 1 . . . . . . . . 6337 1 53 . 1 1 6 6 CYS CA C 13 57.487 0.3 . 1 . . . . . . . . 6337 1 54 . 1 1 6 6 CYS HA H 1 5.259 0.03 . 1 . . . . . . . . 6337 1 55 . 1 1 6 6 CYS CB C 13 28.617 0.3 . 1 . . . . . . . . 6337 1 56 . 1 1 6 6 CYS HB3 H 1 2.752 0.03 . 1 . . . . . . . . 6337 1 57 . 1 1 6 6 CYS HB2 H 1 2.752 0.03 . 1 . . . . . . . . 6337 1 58 . 1 1 6 6 CYS C C 13 174.026 0.3 . 1 . . . . . . . . 6337 1 59 . 1 1 7 7 VAL N N 15 118.792 0.3 . 1 . . . . . . . . 6337 1 60 . 1 1 7 7 VAL H H 1 8.613 0.03 . 1 . . . . . . . . 6337 1 61 . 1 1 7 7 VAL CA C 13 59.046 0.3 . 1 . . . . . . . . 6337 1 62 . 1 1 7 7 VAL HA H 1 4.728 0.03 . 1 . . . . . . . . 6337 1 63 . 1 1 7 7 VAL CB C 13 35.382 0.3 . 1 . . . . . . . . 6337 1 64 . 1 1 7 7 VAL HB H 1 1.971 0.03 . 1 . . . . . . . . 6337 1 65 . 1 1 7 7 VAL CG2 C 13 19.118 0.3 . 1 . . . . . . . . 6337 1 66 . 1 1 7 7 VAL HG21 H 1 0.473 0.03 . 2 . . . . . . . . 6337 1 67 . 1 1 7 7 VAL HG22 H 1 0.473 0.03 . 2 . . . . . . . . 6337 1 68 . 1 1 7 7 VAL HG23 H 1 0.473 0.03 . 2 . . . . . . . . 6337 1 69 . 1 1 7 7 VAL CG1 C 13 22.575 0.3 . 1 . . . . . . . . 6337 1 70 . 1 1 7 7 VAL HG11 H 1 0.771 0.03 . 2 . . . . . . . . 6337 1 71 . 1 1 7 7 VAL HG12 H 1 0.771 0.03 . 2 . . . . . . . . 6337 1 72 . 1 1 7 7 VAL HG13 H 1 0.771 0.03 . 2 . . . . . . . . 6337 1 73 . 1 1 7 7 VAL C C 13 173.920 0.3 . 1 . . . . . . . . 6337 1 74 . 1 1 8 8 LYS N N 15 123.367 0.3 . 1 . . . . . . . . 6337 1 75 . 1 1 8 8 LYS H H 1 8.772 0.03 . 1 . . . . . . . . 6337 1 76 . 1 1 8 8 LYS CA C 13 55.401 0.3 . 1 . . . . . . . . 6337 1 77 . 1 1 8 8 LYS HA H 1 4.877 0.03 . 1 . . . . . . . . 6337 1 78 . 1 1 8 8 LYS CB C 13 33.284 0.3 . 1 . . . . . . . . 6337 1 79 . 1 1 8 8 LYS HB3 H 1 1.844 0.03 . 2 . . . . . . . . 6337 1 80 . 1 1 8 8 LYS HB2 H 1 1.712 0.03 . 2 . . . . . . . . 6337 1 81 . 1 1 8 8 LYS CG C 13 25.041 0.3 . 1 . . . . . . . . 6337 1 82 . 1 1 8 8 LYS HG3 H 1 1.368 0.03 . 2 . . . . . . . . 6337 1 83 . 1 1 8 8 LYS HG2 H 1 1.291 0.03 . 2 . . . . . . . . 6337 1 84 . 1 1 8 8 LYS CD C 13 29.310 0.3 . 1 . . . . . . . . 6337 1 85 . 1 1 8 8 LYS HD3 H 1 1.618 0.03 . 2 . . . . . . . . 6337 1 86 . 1 1 8 8 LYS HD2 H 1 1.570 0.03 . 2 . . . . . . . . 6337 1 87 . 1 1 8 8 LYS CE C 13 42.184 0.3 . 1 . . . . . . . . 6337 1 88 . 1 1 8 8 LYS HE3 H 1 2.861 0.03 . 1 . . . . . . . . 6337 1 89 . 1 1 8 8 LYS HE2 H 1 2.861 0.03 . 1 . . . . . . . . 6337 1 90 . 1 1 8 8 LYS C C 13 174.792 0.3 . 1 . . . . . . . . 6337 1 91 . 1 1 9 9 VAL N N 15 122.525 0.3 . 1 . . . . . . . . 6337 1 92 . 1 1 9 9 VAL H H 1 8.615 0.03 . 1 . . . . . . . . 6337 1 93 . 1 1 9 9 VAL CA C 13 60.282 0.3 . 1 . . . . . . . . 6337 1 94 . 1 1 9 9 VAL HA H 1 4.916 0.03 . 1 . . . . . . . . 6337 1 95 . 1 1 9 9 VAL CB C 13 34.661 0.3 . 1 . . . . . . . . 6337 1 96 . 1 1 9 9 VAL HB H 1 1.616 0.03 . 1 . . . . . . . . 6337 1 97 . 1 1 9 9 VAL CG2 C 13 22.255 0.3 . 1 . . . . . . . . 6337 1 98 . 1 1 9 9 VAL HG21 H 1 0.760 0.03 . 2 . . . . . . . . 6337 1 99 . 1 1 9 9 VAL HG22 H 1 0.760 0.03 . 2 . . . . . . . . 6337 1 100 . 1 1 9 9 VAL HG23 H 1 0.760 0.03 . 2 . . . . . . . . 6337 1 101 . 1 1 9 9 VAL CG1 C 13 23.064 0.3 . 1 . . . . . . . . 6337 1 102 . 1 1 9 9 VAL HG11 H 1 0.486 0.03 . 2 . . . . . . . . 6337 1 103 . 1 1 9 9 VAL HG12 H 1 0.486 0.03 . 2 . . . . . . . . 6337 1 104 . 1 1 9 9 VAL HG13 H 1 0.486 0.03 . 2 . . . . . . . . 6337 1 105 . 1 1 9 9 VAL C C 13 173.576 0.3 . 1 . . . . . . . . 6337 1 106 . 1 1 10 10 GLU N N 15 128.177 0.3 . 1 . . . . . . . . 6337 1 107 . 1 1 10 10 GLU H H 1 8.797 0.03 . 1 . . . . . . . . 6337 1 108 . 1 1 10 10 GLU CA C 13 52.985 0.3 . 1 . . . . . . . . 6337 1 109 . 1 1 10 10 GLU HA H 1 5.557 0.03 . 1 . . . . . . . . 6337 1 110 . 1 1 10 10 GLU CB C 13 33.225 0.3 . 1 . . . . . . . . 6337 1 111 . 1 1 10 10 GLU HB3 H 1 1.741 0.03 . 2 . . . . . . . . 6337 1 112 . 1 1 10 10 GLU HB2 H 1 1.800 0.03 . 2 . . . . . . . . 6337 1 113 . 1 1 10 10 GLU CG C 13 36.846 0.3 . 1 . . . . . . . . 6337 1 114 . 1 1 10 10 GLU HG3 H 1 2.106 0.03 . 2 . . . . . . . . 6337 1 115 . 1 1 10 10 GLU HG2 H 1 1.979 0.03 . 2 . . . . . . . . 6337 1 116 . 1 1 10 10 GLU C C 13 173.085 0.3 . 1 . . . . . . . . 6337 1 117 . 1 1 11 11 PHE N N 15 122.619 0.3 . 1 . . . . . . . . 6337 1 118 . 1 1 11 11 PHE H H 1 8.920 0.03 . 1 . . . . . . . . 6337 1 119 . 1 1 11 11 PHE CA C 13 56.163 0.3 . 1 . . . . . . . . 6337 1 120 . 1 1 11 11 PHE HA H 1 5.730 0.03 . 1 . . . . . . . . 6337 1 121 . 1 1 11 11 PHE CB C 13 42.491 0.3 . 1 . . . . . . . . 6337 1 122 . 1 1 11 11 PHE HB3 H 1 2.673 0.03 . 2 . . . . . . . . 6337 1 123 . 1 1 11 11 PHE HB2 H 1 2.977 0.03 . 2 . . . . . . . . 6337 1 124 . 1 1 11 11 PHE HD1 H 1 6.924 0.03 . 3 . . . . . . . . 6337 1 125 . 1 1 11 11 PHE C C 13 176.156 0.3 . 1 . . . . . . . . 6337 1 126 . 1 1 12 12 GLY N N 15 107.498 0.3 . 1 . . . . . . . . 6337 1 127 . 1 1 12 12 GLY H H 1 9.220 0.03 . 1 . . . . . . . . 6337 1 128 . 1 1 12 12 GLY CA C 13 44.916 0.3 . 1 . . . . . . . . 6337 1 129 . 1 1 12 12 GLY HA3 H 1 5.109 0.03 . 2 . . . . . . . . 6337 1 130 . 1 1 12 12 GLY HA2 H 1 3.988 0.03 . 2 . . . . . . . . 6337 1 131 . 1 1 12 12 GLY C C 13 179.833 0.3 . 1 . . . . . . . . 6337 1 132 . 1 1 13 13 GLY N N 15 108.041 0.3 . 1 . . . . . . . . 6337 1 133 . 1 1 13 13 GLY H H 1 6.135 0.03 . 1 . . . . . . . . 6337 1 134 . 1 1 13 13 GLY CA C 13 46.366 0.3 . 1 . . . . . . . . 6337 1 135 . 1 1 13 13 GLY HA3 H 1 4.033 0.03 . 2 . . . . . . . . 6337 1 136 . 1 1 13 13 GLY HA2 H 1 4.636 0.03 . 2 . . . . . . . . 6337 1 137 . 1 1 13 13 GLY C C 13 173.295 0.3 . 1 . . . . . . . . 6337 1 138 . 1 1 14 14 GLY N N 15 109.058 0.3 . 1 . . . . . . . . 6337 1 139 . 1 1 14 14 GLY H H 1 9.265 0.03 . 1 . . . . . . . . 6337 1 140 . 1 1 14 14 GLY CA C 13 44.450 0.3 . 1 . . . . . . . . 6337 1 141 . 1 1 14 14 GLY HA3 H 1 4.666 0.03 . 2 . . . . . . . . 6337 1 142 . 1 1 14 14 GLY HA2 H 1 3.464 0.03 . 2 . . . . . . . . 6337 1 143 . 1 1 14 14 GLY C C 13 177.489 0.3 . 1 . . . . . . . . 6337 1 144 . 1 1 15 15 ALA N N 15 125.368 0.3 . 1 . . . . . . . . 6337 1 145 . 1 1 15 15 ALA H H 1 7.869 0.03 . 1 . . . . . . . . 6337 1 146 . 1 1 15 15 ALA CA C 13 54.867 0.3 . 1 . . . . . . . . 6337 1 147 . 1 1 15 15 ALA HA H 1 4.170 0.03 . 1 . . . . . . . . 6337 1 148 . 1 1 15 15 ALA CB C 13 17.547 0.3 . 1 . . . . . . . . 6337 1 149 . 1 1 15 15 ALA HB1 H 1 1.815 0.03 . 1 . . . . . . . . 6337 1 150 . 1 1 15 15 ALA HB2 H 1 1.815 0.03 . 1 . . . . . . . . 6337 1 151 . 1 1 15 15 ALA HB3 H 1 1.815 0.03 . 1 . . . . . . . . 6337 1 152 . 1 1 15 15 ALA C C 13 178.261 0.3 . 1 . . . . . . . . 6337 1 153 . 1 1 16 16 GLU N N 15 117.355 0.3 . 1 . . . . . . . . 6337 1 154 . 1 1 16 16 GLU H H 1 11.016 0.03 . 1 . . . . . . . . 6337 1 155 . 1 1 16 16 GLU CA C 13 58.920 0.3 . 1 . . . . . . . . 6337 1 156 . 1 1 16 16 GLU HA H 1 4.016 0.03 . 1 . . . . . . . . 6337 1 157 . 1 1 16 16 GLU CB C 13 26.942 0.3 . 1 . . . . . . . . 6337 1 158 . 1 1 16 16 GLU HB3 H 1 1.548 0.03 . 2 . . . . . . . . 6337 1 159 . 1 1 16 16 GLU HB2 H 1 2.234 0.03 . 2 . . . . . . . . 6337 1 160 . 1 1 16 16 GLU CG C 13 34.451 0.3 . 1 . . . . . . . . 6337 1 161 . 1 1 16 16 GLU HG3 H 1 2.035 0.03 . 2 . . . . . . . . 6337 1 162 . 1 1 16 16 GLU HG2 H 1 2.333 0.03 . 2 . . . . . . . . 6337 1 163 . 1 1 16 16 GLU C C 13 178.478 0.3 . 1 . . . . . . . . 6337 1 164 . 1 1 17 17 LEU N N 15 123.748 0.3 . 1 . . . . . . . . 6337 1 165 . 1 1 17 17 LEU H H 1 7.696 0.03 . 1 . . . . . . . . 6337 1 166 . 1 1 17 17 LEU CA C 13 56.862 0.3 . 1 . . . . . . . . 6337 1 167 . 1 1 17 17 LEU HA H 1 3.999 0.03 . 1 . . . . . . . . 6337 1 168 . 1 1 17 17 LEU CB C 13 40.308 0.3 . 1 . . . . . . . . 6337 1 169 . 1 1 17 17 LEU HB3 H 1 1.819 0.03 . 2 . . . . . . . . 6337 1 170 . 1 1 17 17 LEU HB2 H 1 1.577 0.03 . 2 . . . . . . . . 6337 1 171 . 1 1 17 17 LEU CG C 13 27.545 0.3 . 1 . . . . . . . . 6337 1 172 . 1 1 17 17 LEU HG H 1 1.644 0.03 . 1 . . . . . . . . 6337 1 173 . 1 1 17 17 LEU CD1 C 13 24.912 0.3 . 1 . . . . . . . . 6337 1 174 . 1 1 17 17 LEU HD11 H 1 0.969 0.03 . 2 . . . . . . . . 6337 1 175 . 1 1 17 17 LEU HD12 H 1 0.969 0.03 . 2 . . . . . . . . 6337 1 176 . 1 1 17 17 LEU HD13 H 1 0.969 0.03 . 2 . . . . . . . . 6337 1 177 . 1 1 17 17 LEU CD2 C 13 22.105 0.3 . 1 . . . . . . . . 6337 1 178 . 1 1 17 17 LEU HD21 H 1 0.875 0.03 . 2 . . . . . . . . 6337 1 179 . 1 1 17 17 LEU HD22 H 1 0.875 0.03 . 2 . . . . . . . . 6337 1 180 . 1 1 17 17 LEU HD23 H 1 0.875 0.03 . 2 . . . . . . . . 6337 1 181 . 1 1 17 17 LEU C C 13 178.040 0.3 . 1 . . . . . . . . 6337 1 182 . 1 1 18 18 LEU N N 15 117.858 0.3 . 1 . . . . . . . . 6337 1 183 . 1 1 18 18 LEU H H 1 7.624 0.03 . 1 . . . . . . . . 6337 1 184 . 1 1 18 18 LEU CA C 13 54.877 0.3 . 1 . . . . . . . . 6337 1 185 . 1 1 18 18 LEU HA H 1 3.939 0.03 . 1 . . . . . . . . 6337 1 186 . 1 1 18 18 LEU CB C 13 39.735 0.3 . 1 . . . . . . . . 6337 1 187 . 1 1 18 18 LEU HB3 H 1 0.876 0.03 . 2 . . . . . . . . 6337 1 188 . 1 1 18 18 LEU HB2 H 1 1.215 0.03 . 2 . . . . . . . . 6337 1 189 . 1 1 18 18 LEU CG C 13 26.989 0.3 . 1 . . . . . . . . 6337 1 190 . 1 1 18 18 LEU HG H 1 1.568 0.03 . 1 . . . . . . . . 6337 1 191 . 1 1 18 18 LEU CD1 C 13 25.737 0.3 . 1 . . . . . . . . 6337 1 192 . 1 1 18 18 LEU HD11 H 1 0.762 0.03 . 2 . . . . . . . . 6337 1 193 . 1 1 18 18 LEU HD12 H 1 0.762 0.03 . 2 . . . . . . . . 6337 1 194 . 1 1 18 18 LEU HD13 H 1 0.762 0.03 . 2 . . . . . . . . 6337 1 195 . 1 1 18 18 LEU CD2 C 13 22.468 0.3 . 1 . . . . . . . . 6337 1 196 . 1 1 18 18 LEU HD21 H 1 0.670 0.03 . 2 . . . . . . . . 6337 1 197 . 1 1 18 18 LEU HD22 H 1 0.670 0.03 . 2 . . . . . . . . 6337 1 198 . 1 1 18 18 LEU HD23 H 1 0.670 0.03 . 2 . . . . . . . . 6337 1 199 . 1 1 18 18 LEU C C 13 174.534 0.3 . 1 . . . . . . . . 6337 1 200 . 1 1 19 19 PHE N N 15 118.349 0.3 . 1 . . . . . . . . 6337 1 201 . 1 1 19 19 PHE H H 1 7.191 0.03 . 1 . . . . . . . . 6337 1 202 . 1 1 19 19 PHE CA C 13 56.137 0.3 . 1 . . . . . . . . 6337 1 203 . 1 1 19 19 PHE HA H 1 4.347 0.03 . 1 . . . . . . . . 6337 1 204 . 1 1 19 19 PHE CB C 13 39.018 0.3 . 1 . . . . . . . . 6337 1 205 . 1 1 19 19 PHE HB3 H 1 3.134 0.03 . 2 . . . . . . . . 6337 1 206 . 1 1 19 19 PHE HB2 H 1 2.563 0.03 . 2 . . . . . . . . 6337 1 207 . 1 1 19 19 PHE HD1 H 1 6.447 0.03 . 3 . . . . . . . . 6337 1 208 . 1 1 19 19 PHE HE1 H 1 5.835 0.03 . 3 . . . . . . . . 6337 1 209 . 1 1 19 19 PHE C C 13 176.986 0.3 . 1 . . . . . . . . 6337 1 210 . 1 1 20 20 ASP N N 15 121.256 0.3 . 1 . . . . . . . . 6337 1 211 . 1 1 20 20 ASP H H 1 9.025 0.03 . 1 . . . . . . . . 6337 1 212 . 1 1 20 20 ASP CA C 13 55.433 0.3 . 1 . . . . . . . . 6337 1 213 . 1 1 20 20 ASP HA H 1 4.446 0.03 . 1 . . . . . . . . 6337 1 214 . 1 1 20 20 ASP CB C 13 40.469 0.3 . 1 . . . . . . . . 6337 1 215 . 1 1 20 20 ASP HB3 H 1 2.578 0.03 . 2 . . . . . . . . 6337 1 216 . 1 1 20 20 ASP HB2 H 1 3.210 0.03 . 2 . . . . . . . . 6337 1 217 . 1 1 20 20 ASP C C 13 175.286 0.3 . 1 . . . . . . . . 6337 1 218 . 1 1 21 21 GLY N N 15 102.624 0.3 . 1 . . . . . . . . 6337 1 219 . 1 1 21 21 GLY H H 1 7.806 0.03 . 1 . . . . . . . . 6337 1 220 . 1 1 21 21 GLY CA C 13 45.688 0.3 . 1 . . . . . . . . 6337 1 221 . 1 1 21 21 GLY HA3 H 1 3.077 0.03 . 2 . . . . . . . . 6337 1 222 . 1 1 21 21 GLY HA2 H 1 4.192 0.03 . 2 . . . . . . . . 6337 1 223 . 1 1 21 21 GLY C C 13 173.481 0.3 . 1 . . . . . . . . 6337 1 224 . 1 1 22 22 VAL N N 15 122.416 0.3 . 1 . . . . . . . . 6337 1 225 . 1 1 22 22 VAL H H 1 7.463 0.03 . 1 . . . . . . . . 6337 1 226 . 1 1 22 22 VAL CA C 13 63.195 0.3 . 1 . . . . . . . . 6337 1 227 . 1 1 22 22 VAL HA H 1 3.912 0.03 . 1 . . . . . . . . 6337 1 228 . 1 1 22 22 VAL CB C 13 31.493 0.3 . 1 . . . . . . . . 6337 1 229 . 1 1 22 22 VAL HB H 1 2.285 0.03 . 1 . . . . . . . . 6337 1 230 . 1 1 22 22 VAL CG2 C 13 21.147 0.3 . 1 . . . . . . . . 6337 1 231 . 1 1 22 22 VAL HG21 H 1 0.588 0.03 . 2 . . . . . . . . 6337 1 232 . 1 1 22 22 VAL HG22 H 1 0.588 0.03 . 2 . . . . . . . . 6337 1 233 . 1 1 22 22 VAL HG23 H 1 0.588 0.03 . 2 . . . . . . . . 6337 1 234 . 1 1 22 22 VAL CG1 C 13 20.933 0.3 . 1 . . . . . . . . 6337 1 235 . 1 1 22 22 VAL HG11 H 1 1.041 0.03 . 2 . . . . . . . . 6337 1 236 . 1 1 22 22 VAL HG12 H 1 1.041 0.03 . 2 . . . . . . . . 6337 1 237 . 1 1 22 22 VAL HG13 H 1 1.041 0.03 . 2 . . . . . . . . 6337 1 238 . 1 1 22 22 VAL C C 13 176.287 0.3 . 1 . . . . . . . . 6337 1 239 . 1 1 23 23 LYS N N 15 126.959 0.3 . 1 . . . . . . . . 6337 1 240 . 1 1 23 23 LYS H H 1 8.425 0.03 . 1 . . . . . . . . 6337 1 241 . 1 1 23 23 LYS CA C 13 60.044 0.3 . 1 . . . . . . . . 6337 1 242 . 1 1 23 23 LYS HA H 1 4.466 0.03 . 1 . . . . . . . . 6337 1 243 . 1 1 23 23 LYS CB C 13 34.341 0.3 . 1 . . . . . . . . 6337 1 244 . 1 1 23 23 LYS HB3 H 1 1.843 0.03 . 2 . . . . . . . . 6337 1 245 . 1 1 23 23 LYS HB2 H 1 2.199 0.03 . 2 . . . . . . . . 6337 1 246 . 1 1 23 23 LYS CG C 13 26.513 0.3 . 1 . . . . . . . . 6337 1 247 . 1 1 23 23 LYS HG3 H 1 1.541 0.03 . 2 . . . . . . . . 6337 1 248 . 1 1 23 23 LYS HG2 H 1 1.664 0.03 . 2 . . . . . . . . 6337 1 249 . 1 1 23 23 LYS CD C 13 29.620 0.3 . 1 . . . . . . . . 6337 1 250 . 1 1 23 23 LYS HD3 H 1 1.835 0.03 . 2 . . . . . . . . 6337 1 251 . 1 1 23 23 LYS HD2 H 1 1.902 0.03 . 2 . . . . . . . . 6337 1 252 . 1 1 23 23 LYS CE C 13 42.252 0.3 . 1 . . . . . . . . 6337 1 253 . 1 1 23 23 LYS HE3 H 1 2.956 0.03 . 1 . . . . . . . . 6337 1 254 . 1 1 23 23 LYS HE2 H 1 2.956 0.03 . 1 . . . . . . . . 6337 1 255 . 1 1 23 23 LYS C C 13 176.447 0.3 . 1 . . . . . . . . 6337 1 256 . 1 1 24 24 LYS N N 15 115.825 0.3 . 1 . . . . . . . . 6337 1 257 . 1 1 24 24 LYS H H 1 7.574 0.03 . 1 . . . . . . . . 6337 1 258 . 1 1 24 24 LYS CA C 13 56.631 0.3 . 1 . . . . . . . . 6337 1 259 . 1 1 24 24 LYS HA H 1 4.905 0.03 . 1 . . . . . . . . 6337 1 260 . 1 1 24 24 LYS CB C 13 34.847 0.3 . 1 . . . . . . . . 6337 1 261 . 1 1 24 24 LYS HB3 H 1 1.749 0.03 . 2 . . . . . . . . 6337 1 262 . 1 1 24 24 LYS HB2 H 1 1.622 0.03 . 2 . . . . . . . . 6337 1 263 . 1 1 24 24 LYS CG C 13 25.476 0.3 . 1 . . . . . . . . 6337 1 264 . 1 1 24 24 LYS HG3 H 1 1.207 0.03 . 2 . . . . . . . . 6337 1 265 . 1 1 24 24 LYS HG2 H 1 1.325 0.03 . 2 . . . . . . . . 6337 1 266 . 1 1 24 24 LYS CD C 13 29.522 0.3 . 1 . . . . . . . . 6337 1 267 . 1 1 24 24 LYS HD3 H 1 1.614 0.03 . 2 . . . . . . . . 6337 1 268 . 1 1 24 24 LYS HD2 H 1 1.579 0.03 . 2 . . . . . . . . 6337 1 269 . 1 1 24 24 LYS CE C 13 41.917 0.3 . 1 . . . . . . . . 6337 1 270 . 1 1 24 24 LYS HE3 H 1 2.902 0.03 . 1 . . . . . . . . 6337 1 271 . 1 1 24 24 LYS HE2 H 1 2.902 0.03 . 1 . . . . . . . . 6337 1 272 . 1 1 24 24 LYS C C 13 174.936 0.3 . 1 . . . . . . . . 6337 1 273 . 1 1 25 25 HIS N N 15 122.461 0.3 . 1 . . . . . . . . 6337 1 274 . 1 1 25 25 HIS H H 1 9.111 0.03 . 1 . . . . . . . . 6337 1 275 . 1 1 25 25 HIS CA C 13 55.255 0.3 . 1 . . . . . . . . 6337 1 276 . 1 1 25 25 HIS HA H 1 4.506 0.03 . 1 . . . . . . . . 6337 1 277 . 1 1 25 25 HIS CB C 13 34.244 0.3 . 1 . . . . . . . . 6337 1 278 . 1 1 25 25 HIS HB3 H 1 2.837 0.03 . 1 . . . . . . . . 6337 1 279 . 1 1 25 25 HIS HB2 H 1 2.837 0.03 . 1 . . . . . . . . 6337 1 280 . 1 1 25 25 HIS C C 13 174.474 0.3 . 1 . . . . . . . . 6337 1 281 . 1 1 26 26 GLN N N 15 125.252 0.3 . 1 . . . . . . . . 6337 1 282 . 1 1 26 26 GLN H H 1 8.969 0.03 . 1 . . . . . . . . 6337 1 283 . 1 1 26 26 GLN CA C 13 55.683 0.3 . 1 . . . . . . . . 6337 1 284 . 1 1 26 26 GLN HA H 1 4.712 0.03 . 1 . . . . . . . . 6337 1 285 . 1 1 26 26 GLN CB C 13 29.192 0.3 . 1 . . . . . . . . 6337 1 286 . 1 1 26 26 GLN HB3 H 1 1.960 0.03 . 2 . . . . . . . . 6337 1 287 . 1 1 26 26 GLN HB2 H 1 2.012 0.03 . 2 . . . . . . . . 6337 1 288 . 1 1 26 26 GLN CG C 13 34.174 0.3 . 1 . . . . . . . . 6337 1 289 . 1 1 26 26 GLN HG3 H 1 2.186 0.03 . 2 . . . . . . . . 6337 1 290 . 1 1 26 26 GLN C C 13 174.954 0.3 . 1 . . . . . . . . 6337 1 291 . 1 1 27 27 VAL N N 15 126.534 0.3 . 1 . . . . . . . . 6337 1 292 . 1 1 27 27 VAL H H 1 8.783 0.03 . 1 . . . . . . . . 6337 1 293 . 1 1 27 27 VAL CA C 13 61.557 0.3 . 1 . . . . . . . . 6337 1 294 . 1 1 27 27 VAL HA H 1 4.119 0.03 . 1 . . . . . . . . 6337 1 295 . 1 1 27 27 VAL CB C 13 33.888 0.3 . 1 . . . . . . . . 6337 1 296 . 1 1 27 27 VAL HB H 1 1.675 0.03 . 1 . . . . . . . . 6337 1 297 . 1 1 27 27 VAL CG2 C 13 20.587 0.3 . 1 . . . . . . . . 6337 1 298 . 1 1 27 27 VAL HG21 H 1 0.050 0.03 . 2 . . . . . . . . 6337 1 299 . 1 1 27 27 VAL HG22 H 1 0.050 0.03 . 2 . . . . . . . . 6337 1 300 . 1 1 27 27 VAL HG23 H 1 0.050 0.03 . 2 . . . . . . . . 6337 1 301 . 1 1 27 27 VAL CG1 C 13 20.661 0.3 . 1 . . . . . . . . 6337 1 302 . 1 1 27 27 VAL HG11 H 1 0.647 0.03 . 2 . . . . . . . . 6337 1 303 . 1 1 27 27 VAL HG12 H 1 0.647 0.03 . 2 . . . . . . . . 6337 1 304 . 1 1 27 27 VAL HG13 H 1 0.647 0.03 . 2 . . . . . . . . 6337 1 305 . 1 1 27 27 VAL C C 13 172.907 0.3 . 1 . . . . . . . . 6337 1 306 . 1 1 28 28 ALA N N 15 130.646 0.3 . 1 . . . . . . . . 6337 1 307 . 1 1 28 28 ALA H H 1 8.132 0.03 . 1 . . . . . . . . 6337 1 308 . 1 1 28 28 ALA CA C 13 50.164 0.3 . 1 . . . . . . . . 6337 1 309 . 1 1 28 28 ALA HA H 1 4.721 0.03 . 1 . . . . . . . . 6337 1 310 . 1 1 28 28 ALA CB C 13 18.579 0.3 . 1 . . . . . . . . 6337 1 311 . 1 1 28 28 ALA HB1 H 1 1.206 0.03 . 1 . . . . . . . . 6337 1 312 . 1 1 28 28 ALA HB2 H 1 1.206 0.03 . 1 . . . . . . . . 6337 1 313 . 1 1 28 28 ALA HB3 H 1 1.206 0.03 . 1 . . . . . . . . 6337 1 314 . 1 1 28 28 ALA C C 13 175.848 0.3 . 1 . . . . . . . . 6337 1 315 . 1 1 29 29 LEU N N 15 126.271 0.3 . 1 . . . . . . . . 6337 1 316 . 1 1 29 29 LEU H H 1 8.526 0.03 . 1 . . . . . . . . 6337 1 317 . 1 1 29 29 LEU CA C 13 51.290 0.3 . 1 . . . . . . . . 6337 1 318 . 1 1 29 29 LEU HA H 1 3.895 0.03 . 1 . . . . . . . . 6337 1 319 . 1 1 29 29 LEU CB C 13 39.698 0.3 . 1 . . . . . . . . 6337 1 320 . 1 1 29 29 LEU HB3 H 1 0.805 0.03 . 2 . . . . . . . . 6337 1 321 . 1 1 29 29 LEU HB2 H 1 -0.426 0.03 . 2 . . . . . . . . 6337 1 322 . 1 1 29 29 LEU CG C 13 24.649 0.3 . 1 . . . . . . . . 6337 1 323 . 1 1 29 29 LEU HG H 1 -0.423 0.03 . 1 . . . . . . . . 6337 1 324 . 1 1 29 29 LEU CD1 C 13 19.930 0.3 . 1 . . . . . . . . 6337 1 325 . 1 1 29 29 LEU HD11 H 1 -1.243 0.03 . 2 . . . . . . . . 6337 1 326 . 1 1 29 29 LEU HD12 H 1 -1.243 0.03 . 2 . . . . . . . . 6337 1 327 . 1 1 29 29 LEU HD13 H 1 -1.243 0.03 . 2 . . . . . . . . 6337 1 328 . 1 1 30 30 PRO CA C 13 62.088 0.3 . 1 . . . . . . . . 6337 1 329 . 1 1 30 30 PRO HA H 1 4.530 0.03 . 1 . . . . . . . . 6337 1 330 . 1 1 30 30 PRO CB C 13 32.579 0.3 . 1 . . . . . . . . 6337 1 331 . 1 1 30 30 PRO HB3 H 1 2.392 0.03 . 2 . . . . . . . . 6337 1 332 . 1 1 30 30 PRO HB2 H 1 2.290 0.03 . 2 . . . . . . . . 6337 1 333 . 1 1 30 30 PRO CG C 13 27.283 0.3 . 1 . . . . . . . . 6337 1 334 . 1 1 30 30 PRO HG3 H 1 2.360 0.03 . 1 . . . . . . . . 6337 1 335 . 1 1 30 30 PRO HG2 H 1 2.360 0.03 . 1 . . . . . . . . 6337 1 336 . 1 1 30 30 PRO CD C 13 50.314 0.3 . 1 . . . . . . . . 6337 1 337 . 1 1 30 30 PRO HD3 H 1 3.764 0.03 . 2 . . . . . . . . 6337 1 338 . 1 1 30 30 PRO HD2 H 1 3.646 0.03 . 2 . . . . . . . . 6337 1 339 . 1 1 30 30 PRO C C 13 176.788 0.3 . 1 . . . . . . . . 6337 1 340 . 1 1 31 31 GLY N N 15 106.339 0.3 . 1 . . . . . . . . 6337 1 341 . 1 1 31 31 GLY H H 1 8.532 0.03 . 1 . . . . . . . . 6337 1 342 . 1 1 31 31 GLY CA C 13 46.044 0.3 . 1 . . . . . . . . 6337 1 343 . 1 1 31 31 GLY HA3 H 1 3.610 0.03 . 2 . . . . . . . . 6337 1 344 . 1 1 31 31 GLY HA2 H 1 4.107 0.03 . 2 . . . . . . . . 6337 1 345 . 1 1 31 31 GLY C C 13 175.397 0.3 . 1 . . . . . . . . 6337 1 346 . 1 1 32 32 GLN N N 15 118.744 0.3 . 1 . . . . . . . . 6337 1 347 . 1 1 32 32 GLN H H 1 8.251 0.03 . 1 . . . . . . . . 6337 1 348 . 1 1 32 32 GLN CA C 13 54.765 0.3 . 1 . . . . . . . . 6337 1 349 . 1 1 32 32 GLN HA H 1 4.744 0.03 . 1 . . . . . . . . 6337 1 350 . 1 1 32 32 GLN CB C 13 30.011 0.3 . 1 . . . . . . . . 6337 1 351 . 1 1 32 32 GLN HB3 H 1 1.870 0.03 . 2 . . . . . . . . 6337 1 352 . 1 1 32 32 GLN HB2 H 1 2.307 0.03 . 2 . . . . . . . . 6337 1 353 . 1 1 32 32 GLN CG C 13 36.242 0.3 . 1 . . . . . . . . 6337 1 354 . 1 1 32 32 GLN HG3 H 1 2.251 0.03 . 1 . . . . . . . . 6337 1 355 . 1 1 32 32 GLN HG2 H 1 2.251 0.03 . 1 . . . . . . . . 6337 1 356 . 1 1 32 32 GLN C C 13 174.624 0.3 . 1 . . . . . . . . 6337 1 357 . 1 1 33 33 GLU N N 15 119.200 0.3 . 1 . . . . . . . . 6337 1 358 . 1 1 33 33 GLU H H 1 8.527 0.03 . 1 . . . . . . . . 6337 1 359 . 1 1 33 33 GLU CA C 13 59.328 0.3 . 1 . . . . . . . . 6337 1 360 . 1 1 33 33 GLU HA H 1 4.029 0.03 . 1 . . . . . . . . 6337 1 361 . 1 1 33 33 GLU CB C 13 30.136 0.3 . 1 . . . . . . . . 6337 1 362 . 1 1 33 33 GLU HB3 H 1 1.944 0.03 . 2 . . . . . . . . 6337 1 363 . 1 1 33 33 GLU HB2 H 1 1.998 0.03 . 2 . . . . . . . . 6337 1 364 . 1 1 33 33 GLU CG C 13 36.293 0.3 . 1 . . . . . . . . 6337 1 365 . 1 1 33 33 GLU HG3 H 1 2.274 0.03 . 1 . . . . . . . . 6337 1 366 . 1 1 33 33 GLU HG2 H 1 2.274 0.03 . 1 . . . . . . . . 6337 1 367 . 1 1 33 33 GLU C C 13 177.148 0.3 . 1 . . . . . . . . 6337 1 368 . 1 1 34 34 GLU N N 15 118.587 0.3 . 1 . . . . . . . . 6337 1 369 . 1 1 34 34 GLU H H 1 7.886 0.03 . 1 . . . . . . . . 6337 1 370 . 1 1 34 34 GLU CA C 13 54.304 0.3 . 1 . . . . . . . . 6337 1 371 . 1 1 34 34 GLU HA H 1 4.489 0.03 . 1 . . . . . . . . 6337 1 372 . 1 1 34 34 GLU CB C 13 29.168 0.3 . 1 . . . . . . . . 6337 1 373 . 1 1 34 34 GLU HB3 H 1 1.613 0.03 . 2 . . . . . . . . 6337 1 374 . 1 1 34 34 GLU HB2 H 1 1.815 0.03 . 2 . . . . . . . . 6337 1 375 . 1 1 34 34 GLU CG C 13 36.090 0.3 . 1 . . . . . . . . 6337 1 376 . 1 1 34 34 GLU HG3 H 1 2.164 0.03 . 1 . . . . . . . . 6337 1 377 . 1 1 34 34 GLU HG2 H 1 2.164 0.03 . 1 . . . . . . . . 6337 1 378 . 1 1 35 35 PRO CA C 13 62.817 0.3 . 1 . . . . . . . . 6337 1 379 . 1 1 35 35 PRO HA H 1 4.289 0.03 . 1 . . . . . . . . 6337 1 380 . 1 1 35 35 PRO CB C 13 32.062 0.3 . 1 . . . . . . . . 6337 1 381 . 1 1 35 35 PRO HB3 H 1 2.231 0.03 . 2 . . . . . . . . 6337 1 382 . 1 1 35 35 PRO HB2 H 1 1.655 0.03 . 2 . . . . . . . . 6337 1 383 . 1 1 35 35 PRO CG C 13 27.767 0.3 . 1 . . . . . . . . 6337 1 384 . 1 1 35 35 PRO HG3 H 1 1.983 0.03 . 2 . . . . . . . . 6337 1 385 . 1 1 35 35 PRO HG2 H 1 2.029 0.03 . 2 . . . . . . . . 6337 1 386 . 1 1 35 35 PRO CD C 13 50.363 0.3 . 1 . . . . . . . . 6337 1 387 . 1 1 35 35 PRO HD3 H 1 3.530 0.03 . 2 . . . . . . . . 6337 1 388 . 1 1 35 35 PRO HD2 H 1 3.799 0.03 . 2 . . . . . . . . 6337 1 389 . 1 1 35 35 PRO C C 13 177.881 0.3 . 1 . . . . . . . . 6337 1 390 . 1 1 36 36 TRP N N 15 123.403 0.3 . 1 . . . . . . . . 6337 1 391 . 1 1 36 36 TRP H H 1 8.602 0.03 . 1 . . . . . . . . 6337 1 392 . 1 1 36 36 TRP CA C 13 58.393 0.3 . 1 . . . . . . . . 6337 1 393 . 1 1 36 36 TRP HA H 1 4.466 0.03 . 1 . . . . . . . . 6337 1 394 . 1 1 36 36 TRP CB C 13 29.909 0.3 . 1 . . . . . . . . 6337 1 395 . 1 1 36 36 TRP HB3 H 1 3.010 0.03 . 1 . . . . . . . . 6337 1 396 . 1 1 36 36 TRP HB2 H 1 3.010 0.03 . 1 . . . . . . . . 6337 1 397 . 1 1 36 36 TRP HD1 H 1 7.190 0.03 . 1 . . . . . . . . 6337 1 398 . 1 1 36 36 TRP NE1 N 15 129.709 0.3 . 1 . . . . . . . . 6337 1 399 . 1 1 36 36 TRP HE1 H 1 10.235 0.03 . 3 . . . . . . . . 6337 1 400 . 1 1 36 36 TRP HE3 H 1 7.334 0.03 . 3 . . . . . . . . 6337 1 401 . 1 1 36 36 TRP C C 13 175.852 0.3 . 1 . . . . . . . . 6337 1 402 . 1 1 37 37 ASP N N 15 124.121 0.3 . 1 . . . . . . . . 6337 1 403 . 1 1 37 37 ASP H H 1 8.142 0.03 . 1 . . . . . . . . 6337 1 404 . 1 1 37 37 ASP CA C 13 51.476 0.3 . 1 . . . . . . . . 6337 1 405 . 1 1 37 37 ASP HA H 1 5.766 0.03 . 1 . . . . . . . . 6337 1 406 . 1 1 37 37 ASP CB C 13 43.153 0.3 . 1 . . . . . . . . 6337 1 407 . 1 1 37 37 ASP HB3 H 1 2.536 0.03 . 2 . . . . . . . . 6337 1 408 . 1 1 37 37 ASP HB2 H 1 3.285 0.03 . 2 . . . . . . . . 6337 1 409 . 1 1 37 37 ASP C C 13 176.590 0.3 . 1 . . . . . . . . 6337 1 410 . 1 1 38 38 ILE N N 15 119.671 0.3 . 1 . . . . . . . . 6337 1 411 . 1 1 38 38 ILE H H 1 7.914 0.03 . 1 . . . . . . . . 6337 1 412 . 1 1 38 38 ILE CA C 13 63.618 0.3 . 1 . . . . . . . . 6337 1 413 . 1 1 38 38 ILE HA H 1 4.158 0.03 . 1 . . . . . . . . 6337 1 414 . 1 1 38 38 ILE CB C 13 34.852 0.3 . 1 . . . . . . . . 6337 1 415 . 1 1 38 38 ILE HB H 1 2.834 0.03 . 1 . . . . . . . . 6337 1 416 . 1 1 38 38 ILE CG1 C 13 29.046 0.3 . 1 . . . . . . . . 6337 1 417 . 1 1 38 38 ILE HG13 H 1 2.147 0.03 . 4 . . . . . . . . 6337 1 418 . 1 1 38 38 ILE HG12 H 1 1.995 0.03 . 4 . . . . . . . . 6337 1 419 . 1 1 38 38 ILE CD1 C 13 10.651 0.3 . 1 . . . . . . . . 6337 1 420 . 1 1 38 38 ILE HD11 H 1 1.020 0.03 . 1 . . . . . . . . 6337 1 421 . 1 1 38 38 ILE HD12 H 1 1.020 0.03 . 1 . . . . . . . . 6337 1 422 . 1 1 38 38 ILE HD13 H 1 1.020 0.03 . 1 . . . . . . . . 6337 1 423 . 1 1 38 38 ILE CG2 C 13 17.843 0.3 . 1 . . . . . . . . 6337 1 424 . 1 1 38 38 ILE HG21 H 1 1.368 0.03 . 1 . . . . . . . . 6337 1 425 . 1 1 38 38 ILE HG22 H 1 1.368 0.03 . 1 . . . . . . . . 6337 1 426 . 1 1 38 38 ILE HG23 H 1 1.368 0.03 . 1 . . . . . . . . 6337 1 427 . 1 1 38 38 ILE C C 13 177.481 0.3 . 1 . . . . . . . . 6337 1 428 . 1 1 39 39 ARG N N 15 121.239 0.3 . 1 . . . . . . . . 6337 1 429 . 1 1 39 39 ARG H H 1 8.724 0.03 . 1 . . . . . . . . 6337 1 430 . 1 1 39 39 ARG CA C 13 61.265 0.3 . 1 . . . . . . . . 6337 1 431 . 1 1 39 39 ARG HA H 1 4.017 0.03 . 1 . . . . . . . . 6337 1 432 . 1 1 39 39 ARG CB C 13 30.944 0.3 . 1 . . . . . . . . 6337 1 433 . 1 1 39 39 ARG HB3 H 1 2.191 0.03 . 2 . . . . . . . . 6337 1 434 . 1 1 39 39 ARG HB2 H 1 2.084 0.03 . 2 . . . . . . . . 6337 1 435 . 1 1 39 39 ARG CG C 13 29.023 0.3 . 1 . . . . . . . . 6337 1 436 . 1 1 39 39 ARG HG3 H 1 1.742 0.03 . 2 . . . . . . . . 6337 1 437 . 1 1 39 39 ARG HG2 H 1 1.615 0.03 . 2 . . . . . . . . 6337 1 438 . 1 1 39 39 ARG CD C 13 42.999 0.3 . 1 . . . . . . . . 6337 1 439 . 1 1 39 39 ARG HD3 H 1 3.448 0.03 . 2 . . . . . . . . 6337 1 440 . 1 1 39 39 ARG HD2 H 1 3.340 0.03 . 2 . . . . . . . . 6337 1 441 . 1 1 39 39 ARG C C 13 179.023 0.3 . 1 . . . . . . . . 6337 1 442 . 1 1 40 40 ASN N N 15 117.616 0.3 . 1 . . . . . . . . 6337 1 443 . 1 1 40 40 ASN H H 1 9.133 0.03 . 1 . . . . . . . . 6337 1 444 . 1 1 40 40 ASN CA C 13 56.436 0.3 . 1 . . . . . . . . 6337 1 445 . 1 1 40 40 ASN HA H 1 4.841 0.03 . 1 . . . . . . . . 6337 1 446 . 1 1 40 40 ASN CB C 13 38.874 0.3 . 1 . . . . . . . . 6337 1 447 . 1 1 40 40 ASN HB3 H 1 2.901 0.03 . 2 . . . . . . . . 6337 1 448 . 1 1 40 40 ASN HB2 H 1 3.085 0.03 . 2 . . . . . . . . 6337 1 449 . 1 1 40 40 ASN ND2 N 15 113.440 0.3 . 1 . . . . . . . . 6337 1 450 . 1 1 40 40 ASN HD21 H 1 8.040 0.03 . 2 . . . . . . . . 6337 1 451 . 1 1 40 40 ASN HD22 H 1 6.967 0.03 . 2 . . . . . . . . 6337 1 452 . 1 1 40 40 ASN C C 13 179.434 0.3 . 1 . . . . . . . . 6337 1 453 . 1 1 41 41 LEU N N 15 126.547 0.3 . 1 . . . . . . . . 6337 1 454 . 1 1 41 41 LEU H H 1 9.388 0.03 . 1 . . . . . . . . 6337 1 455 . 1 1 41 41 LEU CA C 13 58.743 0.3 . 1 . . . . . . . . 6337 1 456 . 1 1 41 41 LEU HA H 1 4.624 0.03 . 1 . . . . . . . . 6337 1 457 . 1 1 41 41 LEU CB C 13 41.595 0.3 . 1 . . . . . . . . 6337 1 458 . 1 1 41 41 LEU HB3 H 1 1.833 0.03 . 2 . . . . . . . . 6337 1 459 . 1 1 41 41 LEU HB2 H 1 2.709 0.03 . 2 . . . . . . . . 6337 1 460 . 1 1 41 41 LEU CG C 13 26.835 0.3 . 1 . . . . . . . . 6337 1 461 . 1 1 41 41 LEU HG H 1 1.095 0.03 . 1 . . . . . . . . 6337 1 462 . 1 1 41 41 LEU HD11 H 1 1.099 0.03 . 2 . . . . . . . . 6337 1 463 . 1 1 41 41 LEU HD12 H 1 1.099 0.03 . 2 . . . . . . . . 6337 1 464 . 1 1 41 41 LEU HD13 H 1 1.099 0.03 . 2 . . . . . . . . 6337 1 465 . 1 1 41 41 LEU CD2 C 13 23.024 0.3 . 1 . . . . . . . . 6337 1 466 . 1 1 41 41 LEU HD21 H 1 0.844 0.03 . 2 . . . . . . . . 6337 1 467 . 1 1 41 41 LEU HD22 H 1 0.844 0.03 . 2 . . . . . . . . 6337 1 468 . 1 1 41 41 LEU HD23 H 1 0.844 0.03 . 2 . . . . . . . . 6337 1 469 . 1 1 41 41 LEU C C 13 178.801 0.3 . 1 . . . . . . . . 6337 1 470 . 1 1 42 42 LEU N N 15 118.921 0.3 . 1 . . . . . . . . 6337 1 471 . 1 1 42 42 LEU H H 1 8.983 0.03 . 1 . . . . . . . . 6337 1 472 . 1 1 42 42 LEU CA C 13 59.148 0.3 . 1 . . . . . . . . 6337 1 473 . 1 1 42 42 LEU HA H 1 4.150 0.03 . 1 . . . . . . . . 6337 1 474 . 1 1 42 42 LEU CB C 13 41.131 0.3 . 1 . . . . . . . . 6337 1 475 . 1 1 42 42 LEU HB3 H 1 2.320 0.03 . 2 . . . . . . . . 6337 1 476 . 1 1 42 42 LEU HB2 H 1 1.379 0.03 . 2 . . . . . . . . 6337 1 477 . 1 1 42 42 LEU CG C 13 27.622 0.3 . 1 . . . . . . . . 6337 1 478 . 1 1 42 42 LEU CD1 C 13 26.794 0.3 . 1 . . . . . . . . 6337 1 479 . 1 1 42 42 LEU HD11 H 1 1.042 0.03 . 2 . . . . . . . . 6337 1 480 . 1 1 42 42 LEU HD12 H 1 1.042 0.03 . 2 . . . . . . . . 6337 1 481 . 1 1 42 42 LEU HD13 H 1 1.042 0.03 . 2 . . . . . . . . 6337 1 482 . 1 1 42 42 LEU CD2 C 13 23.467 0.3 . 1 . . . . . . . . 6337 1 483 . 1 1 42 42 LEU HD21 H 1 0.817 0.03 . 2 . . . . . . . . 6337 1 484 . 1 1 42 42 LEU HD22 H 1 0.817 0.03 . 2 . . . . . . . . 6337 1 485 . 1 1 42 42 LEU HD23 H 1 0.817 0.03 . 2 . . . . . . . . 6337 1 486 . 1 1 42 42 LEU C C 13 179.038 0.3 . 1 . . . . . . . . 6337 1 487 . 1 1 43 43 VAL N N 15 118.840 0.3 . 1 . . . . . . . . 6337 1 488 . 1 1 43 43 VAL H H 1 7.224 0.03 . 1 . . . . . . . . 6337 1 489 . 1 1 43 43 VAL CA C 13 67.074 0.3 . 1 . . . . . . . . 6337 1 490 . 1 1 43 43 VAL HA H 1 3.656 0.03 . 1 . . . . . . . . 6337 1 491 . 1 1 43 43 VAL CB C 13 31.782 0.3 . 1 . . . . . . . . 6337 1 492 . 1 1 43 43 VAL HB H 1 2.558 0.03 . 1 . . . . . . . . 6337 1 493 . 1 1 43 43 VAL CG2 C 13 22.517 0.3 . 1 . . . . . . . . 6337 1 494 . 1 1 43 43 VAL HG21 H 1 1.243 0.03 . 2 . . . . . . . . 6337 1 495 . 1 1 43 43 VAL HG22 H 1 1.243 0.03 . 2 . . . . . . . . 6337 1 496 . 1 1 43 43 VAL HG23 H 1 1.243 0.03 . 2 . . . . . . . . 6337 1 497 . 1 1 43 43 VAL CG1 C 13 21.587 0.3 . 1 . . . . . . . . 6337 1 498 . 1 1 43 43 VAL HG11 H 1 1.114 0.03 . 2 . . . . . . . . 6337 1 499 . 1 1 43 43 VAL HG12 H 1 1.114 0.03 . 2 . . . . . . . . 6337 1 500 . 1 1 43 43 VAL HG13 H 1 1.114 0.03 . 2 . . . . . . . . 6337 1 501 . 1 1 43 43 VAL C C 13 177.666 0.3 . 1 . . . . . . . . 6337 1 502 . 1 1 44 44 TRP N N 15 121.777 0.3 . 1 . . . . . . . . 6337 1 503 . 1 1 44 44 TRP H H 1 8.376 0.03 . 1 . . . . . . . . 6337 1 504 . 1 1 44 44 TRP CA C 13 63.279 0.3 . 1 . . . . . . . . 6337 1 505 . 1 1 44 44 TRP HA H 1 4.087 0.03 . 1 . . . . . . . . 6337 1 506 . 1 1 44 44 TRP CB C 13 29.413 0.3 . 1 . . . . . . . . 6337 1 507 . 1 1 44 44 TRP HB3 H 1 3.660 0.03 . 2 . . . . . . . . 6337 1 508 . 1 1 44 44 TRP HB2 H 1 3.879 0.03 . 2 . . . . . . . . 6337 1 509 . 1 1 44 44 TRP HD1 H 1 7.312 0.03 . 1 . . . . . . . . 6337 1 510 . 1 1 44 44 TRP NE1 N 15 128.727 0.3 . 1 . . . . . . . . 6337 1 511 . 1 1 44 44 TRP HE1 H 1 10.213 0.03 . 3 . . . . . . . . 6337 1 512 . 1 1 44 44 TRP HZ2 H 1 6.840 0.03 . 3 . . . . . . . . 6337 1 513 . 1 1 44 44 TRP HE3 H 1 7.006 0.03 . 3 . . . . . . . . 6337 1 514 . 1 1 44 44 TRP C C 13 180.389 0.3 . 1 . . . . . . . . 6337 1 515 . 1 1 45 45 ILE N N 15 120.566 0.3 . 1 . . . . . . . . 6337 1 516 . 1 1 45 45 ILE H H 1 9.683 0.03 . 1 . . . . . . . . 6337 1 517 . 1 1 45 45 ILE CA C 13 66.596 0.3 . 1 . . . . . . . . 6337 1 518 . 1 1 45 45 ILE HA H 1 3.568 0.03 . 1 . . . . . . . . 6337 1 519 . 1 1 45 45 ILE CB C 13 38.575 0.3 . 1 . . . . . . . . 6337 1 520 . 1 1 45 45 ILE HB H 1 2.313 0.03 . 1 . . . . . . . . 6337 1 521 . 1 1 45 45 ILE CG1 C 13 29.788 0.3 . 1 . . . . . . . . 6337 1 522 . 1 1 45 45 ILE HG13 H 1 1.169 0.03 . 2 . . . . . . . . 6337 1 523 . 1 1 45 45 ILE HG12 H 1 2.539 0.03 . 2 . . . . . . . . 6337 1 524 . 1 1 45 45 ILE CD1 C 13 14.989 0.3 . 1 . . . . . . . . 6337 1 525 . 1 1 45 45 ILE HD11 H 1 0.997 0.03 . 1 . . . . . . . . 6337 1 526 . 1 1 45 45 ILE HD12 H 1 0.997 0.03 . 1 . . . . . . . . 6337 1 527 . 1 1 45 45 ILE HD13 H 1 0.997 0.03 . 1 . . . . . . . . 6337 1 528 . 1 1 45 45 ILE CG2 C 13 18.189 0.3 . 1 . . . . . . . . 6337 1 529 . 1 1 45 45 ILE HG21 H 1 0.962 0.03 . 1 . . . . . . . . 6337 1 530 . 1 1 45 45 ILE HG22 H 1 0.962 0.03 . 1 . . . . . . . . 6337 1 531 . 1 1 45 45 ILE HG23 H 1 0.962 0.03 . 1 . . . . . . . . 6337 1 532 . 1 1 45 45 ILE C C 13 178.441 0.3 . 1 . . . . . . . . 6337 1 533 . 1 1 46 46 LYS N N 15 122.578 0.3 . 1 . . . . . . . . 6337 1 534 . 1 1 46 46 LYS H H 1 8.664 0.03 . 1 . . . . . . . . 6337 1 535 . 1 1 46 46 LYS CA C 13 59.846 0.3 . 1 . . . . . . . . 6337 1 536 . 1 1 46 46 LYS HA H 1 3.978 0.03 . 1 . . . . . . . . 6337 1 537 . 1 1 46 46 LYS CB C 13 32.256 0.3 . 1 . . . . . . . . 6337 1 538 . 1 1 46 46 LYS HB3 H 1 2.018 0.03 . 2 . . . . . . . . 6337 1 539 . 1 1 46 46 LYS HB2 H 1 2.177 0.03 . 2 . . . . . . . . 6337 1 540 . 1 1 46 46 LYS CG C 13 24.862 0.3 . 1 . . . . . . . . 6337 1 541 . 1 1 46 46 LYS HG3 H 1 1.470 0.03 . 2 . . . . . . . . 6337 1 542 . 1 1 46 46 LYS HG2 H 1 1.541 0.03 . 2 . . . . . . . . 6337 1 543 . 1 1 46 46 LYS CD C 13 29.891 0.3 . 1 . . . . . . . . 6337 1 544 . 1 1 46 46 LYS HD3 H 1 1.775 0.03 . 2 . . . . . . . . 6337 1 545 . 1 1 46 46 LYS HD2 H 1 1.705 0.03 . 2 . . . . . . . . 6337 1 546 . 1 1 46 46 LYS CE C 13 41.989 0.3 . 1 . . . . . . . . 6337 1 547 . 1 1 46 46 LYS HE3 H 1 2.960 0.03 . 1 . . . . . . . . 6337 1 548 . 1 1 46 46 LYS HE2 H 1 2.960 0.03 . 1 . . . . . . . . 6337 1 549 . 1 1 46 46 LYS C C 13 176.790 0.3 . 1 . . . . . . . . 6337 1 550 . 1 1 47 47 LYS N N 15 114.997 0.3 . 1 . . . . . . . . 6337 1 551 . 1 1 47 47 LYS H H 1 7.815 0.03 . 1 . . . . . . . . 6337 1 552 . 1 1 47 47 LYS CA C 13 58.366 0.3 . 1 . . . . . . . . 6337 1 553 . 1 1 47 47 LYS HA H 1 4.104 0.03 . 1 . . . . . . . . 6337 1 554 . 1 1 47 47 LYS CB C 13 33.804 0.3 . 1 . . . . . . . . 6337 1 555 . 1 1 47 47 LYS HB3 H 1 1.684 0.03 . 1 . . . . . . . . 6337 1 556 . 1 1 47 47 LYS HB2 H 1 1.684 0.03 . 1 . . . . . . . . 6337 1 557 . 1 1 47 47 LYS CG C 13 25.385 0.3 . 1 . . . . . . . . 6337 1 558 . 1 1 47 47 LYS HG3 H 1 1.341 0.03 . 2 . . . . . . . . 6337 1 559 . 1 1 47 47 LYS HG2 H 1 1.528 0.03 . 2 . . . . . . . . 6337 1 560 . 1 1 47 47 LYS CD C 13 29.234 0.3 . 1 . . . . . . . . 6337 1 561 . 1 1 47 47 LYS HD3 H 1 1.617 0.03 . 2 . . . . . . . . 6337 1 562 . 1 1 47 47 LYS HD2 H 1 1.668 0.03 . 2 . . . . . . . . 6337 1 563 . 1 1 47 47 LYS CE C 13 42.147 0.3 . 1 . . . . . . . . 6337 1 564 . 1 1 47 47 LYS HE3 H 1 2.944 0.03 . 1 . . . . . . . . 6337 1 565 . 1 1 47 47 LYS HE2 H 1 2.944 0.03 . 1 . . . . . . . . 6337 1 566 . 1 1 47 47 LYS C C 13 177.817 0.3 . 1 . . . . . . . . 6337 1 567 . 1 1 48 48 ASN N N 15 112.414 0.3 . 1 . . . . . . . . 6337 1 568 . 1 1 48 48 ASN H H 1 7.882 0.03 . 1 . . . . . . . . 6337 1 569 . 1 1 48 48 ASN CA C 13 55.123 0.3 . 1 . . . . . . . . 6337 1 570 . 1 1 48 48 ASN HA H 1 4.553 0.03 . 1 . . . . . . . . 6337 1 571 . 1 1 48 48 ASN CB C 13 40.663 0.3 . 1 . . . . . . . . 6337 1 572 . 1 1 48 48 ASN HB3 H 1 1.801 0.03 . 1 . . . . . . . . 6337 1 573 . 1 1 48 48 ASN HB2 H 1 1.801 0.03 . 1 . . . . . . . . 6337 1 574 . 1 1 48 48 ASN C C 13 174.617 0.3 . 1 . . . . . . . . 6337 1 575 . 1 1 49 49 LEU N N 15 117.547 0.3 . 1 . . . . . . . . 6337 1 576 . 1 1 49 49 LEU H H 1 8.117 0.03 . 1 . . . . . . . . 6337 1 577 . 1 1 49 49 LEU CA C 13 55.221 0.3 . 1 . . . . . . . . 6337 1 578 . 1 1 49 49 LEU HA H 1 4.688 0.03 . 1 . . . . . . . . 6337 1 579 . 1 1 49 49 LEU CB C 13 45.863 0.3 . 1 . . . . . . . . 6337 1 580 . 1 1 49 49 LEU HB3 H 1 1.698 0.03 . 2 . . . . . . . . 6337 1 581 . 1 1 49 49 LEU HB2 H 1 1.615 0.03 . 2 . . . . . . . . 6337 1 582 . 1 1 49 49 LEU CG C 13 27.103 0.3 . 1 . . . . . . . . 6337 1 583 . 1 1 49 49 LEU HG H 1 1.623 0.03 . 1 . . . . . . . . 6337 1 584 . 1 1 49 49 LEU CD1 C 13 24.549 0.3 . 1 . . . . . . . . 6337 1 585 . 1 1 49 49 LEU HD11 H 1 0.771 0.03 . 2 . . . . . . . . 6337 1 586 . 1 1 49 49 LEU HD12 H 1 0.771 0.03 . 2 . . . . . . . . 6337 1 587 . 1 1 49 49 LEU HD13 H 1 0.771 0.03 . 2 . . . . . . . . 6337 1 588 . 1 1 49 49 LEU CD2 C 13 22.836 0.3 . 1 . . . . . . . . 6337 1 589 . 1 1 49 49 LEU HD21 H 1 0.810 0.03 . 2 . . . . . . . . 6337 1 590 . 1 1 49 49 LEU HD22 H 1 0.810 0.03 . 2 . . . . . . . . 6337 1 591 . 1 1 49 49 LEU HD23 H 1 0.810 0.03 . 2 . . . . . . . . 6337 1 592 . 1 1 49 49 LEU C C 13 176.176 0.3 . 1 . . . . . . . . 6337 1 593 . 1 1 50 50 LEU N N 15 119.751 0.3 . 1 . . . . . . . . 6337 1 594 . 1 1 50 50 LEU H H 1 7.312 0.03 . 1 . . . . . . . . 6337 1 595 . 1 1 50 50 LEU CA C 13 56.432 0.3 . 1 . . . . . . . . 6337 1 596 . 1 1 50 50 LEU HA H 1 3.496 0.03 . 1 . . . . . . . . 6337 1 597 . 1 1 50 50 LEU CB C 13 43.124 0.3 . 1 . . . . . . . . 6337 1 598 . 1 1 50 50 LEU HB3 H 1 1.100 0.03 . 2 . . . . . . . . 6337 1 599 . 1 1 50 50 LEU HB2 H 1 1.933 0.03 . 2 . . . . . . . . 6337 1 600 . 1 1 50 50 LEU CG C 13 26.879 0.3 . 1 . . . . . . . . 6337 1 601 . 1 1 50 50 LEU HG H 1 1.339 0.03 . 1 . . . . . . . . 6337 1 602 . 1 1 50 50 LEU CD1 C 13 24.679 0.3 . 1 . . . . . . . . 6337 1 603 . 1 1 50 50 LEU HD11 H 1 0.340 0.03 . 2 . . . . . . . . 6337 1 604 . 1 1 50 50 LEU HD12 H 1 0.340 0.03 . 2 . . . . . . . . 6337 1 605 . 1 1 50 50 LEU HD13 H 1 0.340 0.03 . 2 . . . . . . . . 6337 1 606 . 1 1 50 50 LEU CD2 C 13 24.682 0.3 . 1 . . . . . . . . 6337 1 607 . 1 1 50 50 LEU HD21 H 1 0.690 0.03 . 2 . . . . . . . . 6337 1 608 . 1 1 50 50 LEU HD22 H 1 0.690 0.03 . 2 . . . . . . . . 6337 1 609 . 1 1 50 50 LEU HD23 H 1 0.690 0.03 . 2 . . . . . . . . 6337 1 610 . 1 1 50 50 LEU C C 13 176.198 0.3 . 1 . . . . . . . . 6337 1 611 . 1 1 51 51 LYS N N 15 125.112 0.3 . 1 . . . . . . . . 6337 1 612 . 1 1 51 51 LYS H H 1 8.028 0.03 . 1 . . . . . . . . 6337 1 613 . 1 1 51 51 LYS CA C 13 55.455 0.3 . 1 . . . . . . . . 6337 1 614 . 1 1 51 51 LYS HA H 1 4.365 0.03 . 1 . . . . . . . . 6337 1 615 . 1 1 51 51 LYS CB C 13 32.925 0.3 . 1 . . . . . . . . 6337 1 616 . 1 1 51 51 LYS HB3 H 1 1.721 0.03 . 2 . . . . . . . . 6337 1 617 . 1 1 51 51 LYS HB2 H 1 1.789 0.03 . 2 . . . . . . . . 6337 1 618 . 1 1 51 51 LYS CG C 13 23.735 0.3 . 1 . . . . . . . . 6337 1 619 . 1 1 51 51 LYS HG3 H 1 1.377 0.03 . 2 . . . . . . . . 6337 1 620 . 1 1 51 51 LYS HG2 H 1 1.409 0.03 . 2 . . . . . . . . 6337 1 621 . 1 1 51 51 LYS CD C 13 28.078 0.3 . 1 . . . . . . . . 6337 1 622 . 1 1 51 51 LYS HD3 H 1 1.598 0.03 . 2 . . . . . . . . 6337 1 623 . 1 1 51 51 LYS HD2 H 1 1.759 0.03 . 2 . . . . . . . . 6337 1 624 . 1 1 51 51 LYS CE C 13 42.397 0.3 . 1 . . . . . . . . 6337 1 625 . 1 1 51 51 LYS HE3 H 1 2.947 0.03 . 1 . . . . . . . . 6337 1 626 . 1 1 51 51 LYS HE2 H 1 2.947 0.03 . 1 . . . . . . . . 6337 1 627 . 1 1 51 51 LYS C C 13 176.379 0.3 . 1 . . . . . . . . 6337 1 628 . 1 1 52 52 GLU N N 15 117.508 0.3 . 1 . . . . . . . . 6337 1 629 . 1 1 52 52 GLU H H 1 6.920 0.03 . 1 . . . . . . . . 6337 1 630 . 1 1 52 52 GLU CA C 13 54.657 0.3 . 1 . . . . . . . . 6337 1 631 . 1 1 52 52 GLU HA H 1 4.457 0.03 . 1 . . . . . . . . 6337 1 632 . 1 1 52 52 GLU CB C 13 33.221 0.3 . 1 . . . . . . . . 6337 1 633 . 1 1 52 52 GLU HB3 H 1 1.571 0.03 . 2 . . . . . . . . 6337 1 634 . 1 1 52 52 GLU HB2 H 1 2.171 0.03 . 2 . . . . . . . . 6337 1 635 . 1 1 52 52 GLU CG C 13 36.141 0.3 . 1 . . . . . . . . 6337 1 636 . 1 1 52 52 GLU HG3 H 1 2.163 0.03 . 2 . . . . . . . . 6337 1 637 . 1 1 52 52 GLU HG2 H 1 2.261 0.03 . 2 . . . . . . . . 6337 1 638 . 1 1 52 52 GLU C C 13 173.668 0.3 . 1 . . . . . . . . 6337 1 639 . 1 1 53 53 ARG N N 15 115.834 0.3 . 1 . . . . . . . . 6337 1 640 . 1 1 53 53 ARG H H 1 8.706 0.03 . 1 . . . . . . . . 6337 1 641 . 1 1 53 53 ARG CA C 13 55.282 0.3 . 1 . . . . . . . . 6337 1 642 . 1 1 53 53 ARG HA H 1 4.245 0.03 . 1 . . . . . . . . 6337 1 643 . 1 1 53 53 ARG CB C 13 29.504 0.3 . 1 . . . . . . . . 6337 1 644 . 1 1 53 53 ARG HB3 H 1 1.836 0.03 . 1 . . . . . . . . 6337 1 645 . 1 1 53 53 ARG HB2 H 1 1.836 0.03 . 1 . . . . . . . . 6337 1 646 . 1 1 53 53 ARG CG C 13 27.158 0.3 . 1 . . . . . . . . 6337 1 647 . 1 1 53 53 ARG HG3 H 1 1.700 0.03 . 1 . . . . . . . . 6337 1 648 . 1 1 53 53 ARG HG2 H 1 1.700 0.03 . 1 . . . . . . . . 6337 1 649 . 1 1 53 53 ARG CD C 13 43.527 0.3 . 1 . . . . . . . . 6337 1 650 . 1 1 53 53 ARG HD3 H 1 3.224 0.03 . 1 . . . . . . . . 6337 1 651 . 1 1 53 53 ARG HD2 H 1 3.224 0.03 . 1 . . . . . . . . 6337 1 652 . 1 1 54 54 PRO CA C 13 65.365 0.3 . 1 . . . . . . . . 6337 1 653 . 1 1 54 54 PRO HA H 1 4.204 0.03 . 1 . . . . . . . . 6337 1 654 . 1 1 54 54 PRO CB C 13 31.167 0.3 . 1 . . . . . . . . 6337 1 655 . 1 1 54 54 PRO HB3 H 1 2.125 0.03 . 2 . . . . . . . . 6337 1 656 . 1 1 54 54 PRO HB2 H 1 2.069 0.03 . 2 . . . . . . . . 6337 1 657 . 1 1 54 54 PRO CG C 13 27.583 0.3 . 1 . . . . . . . . 6337 1 658 . 1 1 54 54 PRO HG3 H 1 2.040 0.03 . 2 . . . . . . . . 6337 1 659 . 1 1 54 54 PRO HG2 H 1 2.125 0.03 . 2 . . . . . . . . 6337 1 660 . 1 1 54 54 PRO CD C 13 50.721 0.3 . 1 . . . . . . . . 6337 1 661 . 1 1 54 54 PRO HD3 H 1 3.831 0.03 . 2 . . . . . . . . 6337 1 662 . 1 1 54 54 PRO HD2 H 1 3.610 0.03 . 2 . . . . . . . . 6337 1 663 . 1 1 54 54 PRO C C 13 178.183 0.3 . 1 . . . . . . . . 6337 1 664 . 1 1 55 55 GLU N N 15 118.335 0.3 . 1 . . . . . . . . 6337 1 665 . 1 1 55 55 GLU H H 1 9.829 0.03 . 1 . . . . . . . . 6337 1 666 . 1 1 55 55 GLU CA C 13 58.277 0.3 . 1 . . . . . . . . 6337 1 667 . 1 1 55 55 GLU HA H 1 4.625 0.03 . 1 . . . . . . . . 6337 1 668 . 1 1 55 55 GLU CB C 13 27.555 0.3 . 1 . . . . . . . . 6337 1 669 . 1 1 55 55 GLU HB3 H 1 2.083 0.03 . 2 . . . . . . . . 6337 1 670 . 1 1 55 55 GLU HB2 H 1 2.152 0.03 . 2 . . . . . . . . 6337 1 671 . 1 1 55 55 GLU CG C 13 35.630 0.3 . 1 . . . . . . . . 6337 1 672 . 1 1 55 55 GLU HG3 H 1 2.428 0.03 . 2 . . . . . . . . 6337 1 673 . 1 1 55 55 GLU HG2 H 1 2.147 0.03 . 2 . . . . . . . . 6337 1 674 . 1 1 55 55 GLU C C 13 177.239 0.3 . 1 . . . . . . . . 6337 1 675 . 1 1 56 56 LEU N N 15 119.843 0.3 . 1 . . . . . . . . 6337 1 676 . 1 1 56 56 LEU H H 1 7.910 0.03 . 1 . . . . . . . . 6337 1 677 . 1 1 56 56 LEU CA C 13 55.784 0.3 . 1 . . . . . . . . 6337 1 678 . 1 1 56 56 LEU HA H 1 4.285 0.03 . 1 . . . . . . . . 6337 1 679 . 1 1 56 56 LEU CB C 13 41.458 0.3 . 1 . . . . . . . . 6337 1 680 . 1 1 56 56 LEU HB3 H 1 1.917 0.03 . 2 . . . . . . . . 6337 1 681 . 1 1 56 56 LEU HB2 H 1 1.624 0.03 . 2 . . . . . . . . 6337 1 682 . 1 1 56 56 LEU CG C 13 27.792 0.3 . 1 . . . . . . . . 6337 1 683 . 1 1 56 56 LEU HG H 1 1.598 0.03 . 1 . . . . . . . . 6337 1 684 . 1 1 56 56 LEU CD1 C 13 25.616 0.3 . 1 . . . . . . . . 6337 1 685 . 1 1 56 56 LEU HD11 H 1 1.071 0.03 . 2 . . . . . . . . 6337 1 686 . 1 1 56 56 LEU HD12 H 1 1.071 0.03 . 2 . . . . . . . . 6337 1 687 . 1 1 56 56 LEU HD13 H 1 1.071 0.03 . 2 . . . . . . . . 6337 1 688 . 1 1 56 56 LEU CD2 C 13 22.089 0.3 . 1 . . . . . . . . 6337 1 689 . 1 1 56 56 LEU HD21 H 1 0.834 0.03 . 2 . . . . . . . . 6337 1 690 . 1 1 56 56 LEU HD22 H 1 0.834 0.03 . 2 . . . . . . . . 6337 1 691 . 1 1 56 56 LEU HD23 H 1 0.834 0.03 . 2 . . . . . . . . 6337 1 692 . 1 1 56 56 LEU C C 13 175.397 0.3 . 1 . . . . . . . . 6337 1 693 . 1 1 57 57 PHE N N 15 118.766 0.3 . 1 . . . . . . . . 6337 1 694 . 1 1 57 57 PHE H H 1 8.252 0.03 . 1 . . . . . . . . 6337 1 695 . 1 1 57 57 PHE CA C 13 58.782 0.3 . 1 . . . . . . . . 6337 1 696 . 1 1 57 57 PHE HA H 1 4.829 0.03 . 1 . . . . . . . . 6337 1 697 . 1 1 57 57 PHE CB C 13 44.616 0.3 . 1 . . . . . . . . 6337 1 698 . 1 1 57 57 PHE HB3 H 1 2.745 0.03 . 2 . . . . . . . . 6337 1 699 . 1 1 57 57 PHE HB2 H 1 2.894 0.03 . 2 . . . . . . . . 6337 1 700 . 1 1 57 57 PHE HD1 H 1 7.066 0.03 . 3 . . . . . . . . 6337 1 701 . 1 1 57 57 PHE C C 13 172.915 0.3 . 1 . . . . . . . . 6337 1 702 . 1 1 58 58 ILE N N 15 118.494 0.3 . 1 . . . . . . . . 6337 1 703 . 1 1 58 58 ILE H H 1 8.507 0.03 . 1 . . . . . . . . 6337 1 704 . 1 1 58 58 ILE CA C 13 58.571 0.3 . 1 . . . . . . . . 6337 1 705 . 1 1 58 58 ILE HA H 1 4.448 0.03 . 1 . . . . . . . . 6337 1 706 . 1 1 58 58 ILE CB C 13 40.925 0.3 . 1 . . . . . . . . 6337 1 707 . 1 1 58 58 ILE HB H 1 1.639 0.03 . 1 . . . . . . . . 6337 1 708 . 1 1 58 58 ILE CG1 C 13 27.683 0.3 . 1 . . . . . . . . 6337 1 709 . 1 1 58 58 ILE HG13 H 1 1.371 0.03 . 2 . . . . . . . . 6337 1 710 . 1 1 58 58 ILE HG12 H 1 1.211 0.03 . 4 . . . . . . . . 6337 1 711 . 1 1 58 58 ILE CD1 C 13 13.272 0.3 . 1 . . . . . . . . 6337 1 712 . 1 1 58 58 ILE HD11 H 1 0.842 0.03 . 1 . . . . . . . . 6337 1 713 . 1 1 58 58 ILE HD12 H 1 0.842 0.03 . 1 . . . . . . . . 6337 1 714 . 1 1 58 58 ILE HD13 H 1 0.842 0.03 . 1 . . . . . . . . 6337 1 715 . 1 1 58 58 ILE CG2 C 13 17.975 0.3 . 1 . . . . . . . . 6337 1 716 . 1 1 58 58 ILE HG21 H 1 0.782 0.03 . 1 . . . . . . . . 6337 1 717 . 1 1 58 58 ILE HG22 H 1 0.782 0.03 . 1 . . . . . . . . 6337 1 718 . 1 1 58 58 ILE HG23 H 1 0.782 0.03 . 1 . . . . . . . . 6337 1 719 . 1 1 58 58 ILE C C 13 175.863 0.3 . 1 . . . . . . . . 6337 1 720 . 1 1 59 59 GLN N N 15 126.488 0.3 . 1 . . . . . . . . 6337 1 721 . 1 1 59 59 GLN H H 1 8.335 0.03 . 1 . . . . . . . . 6337 1 722 . 1 1 59 59 GLN CA C 13 55.335 0.3 . 1 . . . . . . . . 6337 1 723 . 1 1 59 59 GLN HA H 1 4.437 0.03 . 1 . . . . . . . . 6337 1 724 . 1 1 59 59 GLN CB C 13 31.931 0.3 . 1 . . . . . . . . 6337 1 725 . 1 1 59 59 GLN HB3 H 1 1.760 0.03 . 2 . . . . . . . . 6337 1 726 . 1 1 59 59 GLN HB2 H 1 1.924 0.03 . 2 . . . . . . . . 6337 1 727 . 1 1 59 59 GLN CG C 13 34.189 0.3 . 1 . . . . . . . . 6337 1 728 . 1 1 59 59 GLN HG3 H 1 2.235 0.03 . 2 . . . . . . . . 6337 1 729 . 1 1 59 59 GLN HG2 H 1 2.197 0.03 . 2 . . . . . . . . 6337 1 730 . 1 1 59 59 GLN NE2 N 15 111.477 0.3 . 1 . . . . . . . . 6337 1 731 . 1 1 59 59 GLN HE21 H 1 7.597 0.03 . 2 . . . . . . . . 6337 1 732 . 1 1 59 59 GLN HE22 H 1 6.872 0.03 . 2 . . . . . . . . 6337 1 733 . 1 1 59 59 GLN C C 13 175.016 0.3 . 1 . . . . . . . . 6337 1 734 . 1 1 60 60 GLY N N 15 118.740 0.3 . 1 . . . . . . . . 6337 1 735 . 1 1 60 60 GLY H H 1 9.158 0.03 . 1 . . . . . . . . 6337 1 736 . 1 1 60 60 GLY CA C 13 47.086 0.3 . 1 . . . . . . . . 6337 1 737 . 1 1 60 60 GLY HA3 H 1 4.004 0.03 . 2 . . . . . . . . 6337 1 738 . 1 1 60 60 GLY HA2 H 1 3.625 0.03 . 2 . . . . . . . . 6337 1 739 . 1 1 61 61 ASP N N 15 125.931 0.3 . 1 . . . . . . . . 6337 1 740 . 1 1 61 61 ASP H H 1 8.712 0.03 . 1 . . . . . . . . 6337 1 741 . 1 1 61 61 ASP CA C 13 53.659 0.3 . 1 . . . . . . . . 6337 1 742 . 1 1 61 61 ASP HA H 1 4.553 0.03 . 1 . . . . . . . . 6337 1 743 . 1 1 61 61 ASP CB C 13 41.596 0.3 . 1 . . . . . . . . 6337 1 744 . 1 1 61 61 ASP HB3 H 1 2.735 0.03 . 2 . . . . . . . . 6337 1 745 . 1 1 61 61 ASP HB2 H 1 2.778 0.03 . 2 . . . . . . . . 6337 1 746 . 1 1 61 61 ASP CG C 13 176.989 0.3 . 1 . . . . . . . . 6337 1 747 . 1 1 61 61 ASP C C 13 173.923 0.3 . 1 . . . . . . . . 6337 1 748 . 1 1 62 62 SER N N 15 112.108 0.3 . 1 . . . . . . . . 6337 1 749 . 1 1 62 62 SER H H 1 7.703 0.03 . 1 . . . . . . . . 6337 1 750 . 1 1 62 62 SER CA C 13 54.067 0.3 . 1 . . . . . . . . 6337 1 751 . 1 1 62 62 SER HA H 1 4.960 0.03 . 1 . . . . . . . . 6337 1 752 . 1 1 62 62 SER CB C 13 65.150 0.3 . 1 . . . . . . . . 6337 1 753 . 1 1 62 62 SER HB3 H 1 3.812 0.03 . 2 . . . . . . . . 6337 1 754 . 1 1 62 62 SER HB2 H 1 4.015 0.03 . 2 . . . . . . . . 6337 1 755 . 1 1 62 62 SER C C 13 175.587 0.3 . 1 . . . . . . . . 6337 1 756 . 1 1 63 63 VAL N N 15 111.176 0.3 . 1 . . . . . . . . 6337 1 757 . 1 1 63 63 VAL H H 1 8.195 0.03 . 1 . . . . . . . . 6337 1 758 . 1 1 63 63 VAL CA C 13 59.982 0.3 . 1 . . . . . . . . 6337 1 759 . 1 1 63 63 VAL HA H 1 4.491 0.03 . 1 . . . . . . . . 6337 1 760 . 1 1 63 63 VAL CB C 13 33.293 0.3 . 1 . . . . . . . . 6337 1 761 . 1 1 63 63 VAL HB H 1 1.934 0.03 . 1 . . . . . . . . 6337 1 762 . 1 1 63 63 VAL CG2 C 13 23.146 0.3 . 1 . . . . . . . . 6337 1 763 . 1 1 63 63 VAL HG21 H 1 0.566 0.03 . 2 . . . . . . . . 6337 1 764 . 1 1 63 63 VAL HG22 H 1 0.566 0.03 . 2 . . . . . . . . 6337 1 765 . 1 1 63 63 VAL HG23 H 1 0.566 0.03 . 2 . . . . . . . . 6337 1 766 . 1 1 63 63 VAL CG1 C 13 18.556 0.3 . 1 . . . . . . . . 6337 1 767 . 1 1 63 63 VAL HG11 H 1 0.801 0.03 . 2 . . . . . . . . 6337 1 768 . 1 1 63 63 VAL HG12 H 1 0.801 0.03 . 2 . . . . . . . . 6337 1 769 . 1 1 63 63 VAL HG13 H 1 0.801 0.03 . 2 . . . . . . . . 6337 1 770 . 1 1 63 63 VAL C C 13 176.663 0.3 . 1 . . . . . . . . 6337 1 771 . 1 1 64 64 ARG N N 15 122.767 0.3 . 1 . . . . . . . . 6337 1 772 . 1 1 64 64 ARG H H 1 7.753 0.03 . 1 . . . . . . . . 6337 1 773 . 1 1 64 64 ARG CA C 13 54.538 0.3 . 1 . . . . . . . . 6337 1 774 . 1 1 64 64 ARG HA H 1 4.164 0.03 . 1 . . . . . . . . 6337 1 775 . 1 1 64 64 ARG CB C 13 29.764 0.3 . 1 . . . . . . . . 6337 1 776 . 1 1 64 64 ARG HB3 H 1 2.305 0.03 . 2 . . . . . . . . 6337 1 777 . 1 1 64 64 ARG HB2 H 1 1.866 0.03 . 2 . . . . . . . . 6337 1 778 . 1 1 64 64 ARG CG C 13 25.944 0.3 . 1 . . . . . . . . 6337 1 779 . 1 1 64 64 ARG HG3 H 1 1.552 0.03 . 2 . . . . . . . . 6337 1 780 . 1 1 64 64 ARG HG2 H 1 1.485 0.03 . 2 . . . . . . . . 6337 1 781 . 1 1 64 64 ARG CD C 13 43.835 0.3 . 1 . . . . . . . . 6337 1 782 . 1 1 64 64 ARG HD3 H 1 2.973 0.03 . 2 . . . . . . . . 6337 1 783 . 1 1 64 64 ARG HD2 H 1 3.192 0.03 . 2 . . . . . . . . 6337 1 784 . 1 1 65 65 PRO CA C 13 64.146 0.3 . 1 . . . . . . . . 6337 1 785 . 1 1 65 65 PRO HA H 1 4.406 0.03 . 1 . . . . . . . . 6337 1 786 . 1 1 65 65 PRO CB C 13 31.514 0.3 . 1 . . . . . . . . 6337 1 787 . 1 1 65 65 PRO HB3 H 1 2.352 0.03 . 2 . . . . . . . . 6337 1 788 . 1 1 65 65 PRO HB2 H 1 1.841 0.03 . 2 . . . . . . . . 6337 1 789 . 1 1 65 65 PRO CG C 13 28.124 0.3 . 1 . . . . . . . . 6337 1 790 . 1 1 65 65 PRO HG3 H 1 2.155 0.03 . 2 . . . . . . . . 6337 1 791 . 1 1 65 65 PRO HG2 H 1 2.071 0.03 . 2 . . . . . . . . 6337 1 792 . 1 1 65 65 PRO CD C 13 50.672 0.3 . 1 . . . . . . . . 6337 1 793 . 1 1 65 65 PRO HD3 H 1 3.610 0.03 . 2 . . . . . . . . 6337 1 794 . 1 1 65 65 PRO HD2 H 1 3.819 0.03 . 2 . . . . . . . . 6337 1 795 . 1 1 65 65 PRO C C 13 177.316 0.3 . 1 . . . . . . . . 6337 1 796 . 1 1 66 66 GLY N N 15 112.328 0.3 . 1 . . . . . . . . 6337 1 797 . 1 1 66 66 GLY H H 1 8.874 0.03 . 1 . . . . . . . . 6337 1 798 . 1 1 66 66 GLY CA C 13 44.559 0.3 . 1 . . . . . . . . 6337 1 799 . 1 1 66 66 GLY HA3 H 1 4.415 0.03 . 2 . . . . . . . . 6337 1 800 . 1 1 66 66 GLY HA2 H 1 3.548 0.03 . 2 . . . . . . . . 6337 1 801 . 1 1 66 66 GLY C C 13 174.561 0.3 . 1 . . . . . . . . 6337 1 802 . 1 1 67 67 ILE N N 15 122.573 0.3 . 1 . . . . . . . . 6337 1 803 . 1 1 67 67 ILE H H 1 7.897 0.03 . 1 . . . . . . . . 6337 1 804 . 1 1 67 67 ILE CA C 13 60.175 0.3 . 1 . . . . . . . . 6337 1 805 . 1 1 67 67 ILE HA H 1 4.819 0.03 . 1 . . . . . . . . 6337 1 806 . 1 1 67 67 ILE CB C 13 37.134 0.3 . 1 . . . . . . . . 6337 1 807 . 1 1 67 67 ILE HB H 1 2.063 0.03 . 1 . . . . . . . . 6337 1 808 . 1 1 67 67 ILE CG1 C 13 27.963 0.3 . 1 . . . . . . . . 6337 1 809 . 1 1 67 67 ILE HG13 H 1 1.600 0.03 . 4 . . . . . . . . 6337 1 810 . 1 1 67 67 ILE HG12 H 1 1.240 0.03 . 2 . . . . . . . . 6337 1 811 . 1 1 67 67 ILE CD1 C 13 12.251 0.3 . 1 . . . . . . . . 6337 1 812 . 1 1 67 67 ILE HD11 H 1 1.055 0.03 . 1 . . . . . . . . 6337 1 813 . 1 1 67 67 ILE HD12 H 1 1.055 0.03 . 1 . . . . . . . . 6337 1 814 . 1 1 67 67 ILE HD13 H 1 1.055 0.03 . 1 . . . . . . . . 6337 1 815 . 1 1 67 67 ILE CG2 C 13 17.333 0.3 . 1 . . . . . . . . 6337 1 816 . 1 1 67 67 ILE HG21 H 1 0.899 0.03 . 1 . . . . . . . . 6337 1 817 . 1 1 67 67 ILE HG22 H 1 0.899 0.03 . 1 . . . . . . . . 6337 1 818 . 1 1 67 67 ILE HG23 H 1 0.899 0.03 . 1 . . . . . . . . 6337 1 819 . 1 1 67 67 ILE C C 13 174.790 0.3 . 1 . . . . . . . . 6337 1 820 . 1 1 68 68 LEU N N 15 129.540 0.3 . 1 . . . . . . . . 6337 1 821 . 1 1 68 68 LEU H H 1 9.191 0.03 . 1 . . . . . . . . 6337 1 822 . 1 1 68 68 LEU CA C 13 53.888 0.3 . 1 . . . . . . . . 6337 1 823 . 1 1 68 68 LEU HA H 1 4.496 0.03 . 1 . . . . . . . . 6337 1 824 . 1 1 68 68 LEU CB C 13 42.927 0.3 . 1 . . . . . . . . 6337 1 825 . 1 1 68 68 LEU HB3 H 1 1.620 0.03 . 2 . . . . . . . . 6337 1 826 . 1 1 68 68 LEU HB2 H 1 1.528 0.03 . 2 . . . . . . . . 6337 1 827 . 1 1 68 68 LEU CG C 13 26.929 0.3 . 1 . . . . . . . . 6337 1 828 . 1 1 68 68 LEU HG H 1 1.664 0.03 . 1 . . . . . . . . 6337 1 829 . 1 1 68 68 LEU CD1 C 13 24.948 0.3 . 1 . . . . . . . . 6337 1 830 . 1 1 68 68 LEU HD11 H 1 0.338 0.03 . 2 . . . . . . . . 6337 1 831 . 1 1 68 68 LEU HD12 H 1 0.338 0.03 . 2 . . . . . . . . 6337 1 832 . 1 1 68 68 LEU HD13 H 1 0.338 0.03 . 2 . . . . . . . . 6337 1 833 . 1 1 68 68 LEU CD2 C 13 23.051 0.3 . 1 . . . . . . . . 6337 1 834 . 1 1 68 68 LEU HD21 H 1 0.866 0.03 . 2 . . . . . . . . 6337 1 835 . 1 1 68 68 LEU HD22 H 1 0.866 0.03 . 2 . . . . . . . . 6337 1 836 . 1 1 68 68 LEU HD23 H 1 0.866 0.03 . 2 . . . . . . . . 6337 1 837 . 1 1 68 68 LEU C C 13 175.501 0.3 . 1 . . . . . . . . 6337 1 838 . 1 1 69 69 VAL N N 15 120.593 0.3 . 1 . . . . . . . . 6337 1 839 . 1 1 69 69 VAL H H 1 7.228 0.03 . 1 . . . . . . . . 6337 1 840 . 1 1 69 69 VAL CA C 13 60.782 0.3 . 1 . . . . . . . . 6337 1 841 . 1 1 69 69 VAL HA H 1 4.394 0.03 . 1 . . . . . . . . 6337 1 842 . 1 1 69 69 VAL CB C 13 31.947 0.3 . 1 . . . . . . . . 6337 1 843 . 1 1 69 69 VAL HB H 1 -0.105 0.03 . 1 . . . . . . . . 6337 1 844 . 1 1 69 69 VAL CG2 C 13 20.139 0.3 . 1 . . . . . . . . 6337 1 845 . 1 1 69 69 VAL HG21 H 1 -0.233 0.03 . 2 . . . . . . . . 6337 1 846 . 1 1 69 69 VAL HG22 H 1 -0.233 0.03 . 2 . . . . . . . . 6337 1 847 . 1 1 69 69 VAL HG23 H 1 -0.233 0.03 . 2 . . . . . . . . 6337 1 848 . 1 1 69 69 VAL CG1 C 13 20.362 0.3 . 1 . . . . . . . . 6337 1 849 . 1 1 69 69 VAL HG11 H 1 -0.130 0.03 . 2 . . . . . . . . 6337 1 850 . 1 1 69 69 VAL HG12 H 1 -0.130 0.03 . 2 . . . . . . . . 6337 1 851 . 1 1 69 69 VAL HG13 H 1 -0.130 0.03 . 2 . . . . . . . . 6337 1 852 . 1 1 69 69 VAL C C 13 174.833 0.3 . 1 . . . . . . . . 6337 1 853 . 1 1 70 70 LEU N N 15 127.514 0.3 . 1 . . . . . . . . 6337 1 854 . 1 1 70 70 LEU H H 1 8.907 0.03 . 1 . . . . . . . . 6337 1 855 . 1 1 70 70 LEU CA C 13 53.108 0.3 . 1 . . . . . . . . 6337 1 856 . 1 1 70 70 LEU HA H 1 5.063 0.03 . 1 . . . . . . . . 6337 1 857 . 1 1 70 70 LEU CB C 13 44.592 0.3 . 1 . . . . . . . . 6337 1 858 . 1 1 70 70 LEU HB3 H 1 1.593 0.03 . 2 . . . . . . . . 6337 1 859 . 1 1 70 70 LEU HB2 H 1 0.923 0.03 . 2 . . . . . . . . 6337 1 860 . 1 1 70 70 LEU CG C 13 28.175 0.3 . 1 . . . . . . . . 6337 1 861 . 1 1 70 70 LEU HG H 1 1.387 0.03 . 1 . . . . . . . . 6337 1 862 . 1 1 70 70 LEU CD1 C 13 25.155 0.3 . 1 . . . . . . . . 6337 1 863 . 1 1 70 70 LEU HD11 H 1 0.710 0.03 . 2 . . . . . . . . 6337 1 864 . 1 1 70 70 LEU HD12 H 1 0.710 0.03 . 2 . . . . . . . . 6337 1 865 . 1 1 70 70 LEU HD13 H 1 0.710 0.03 . 2 . . . . . . . . 6337 1 866 . 1 1 70 70 LEU CD2 C 13 24.509 0.3 . 1 . . . . . . . . 6337 1 867 . 1 1 70 70 LEU HD21 H 1 0.660 0.03 . 2 . . . . . . . . 6337 1 868 . 1 1 70 70 LEU HD22 H 1 0.660 0.03 . 2 . . . . . . . . 6337 1 869 . 1 1 70 70 LEU HD23 H 1 0.660 0.03 . 2 . . . . . . . . 6337 1 870 . 1 1 70 70 LEU C C 13 176.163 0.3 . 1 . . . . . . . . 6337 1 871 . 1 1 71 71 ILE N N 15 123.390 0.3 . 1 . . . . . . . . 6337 1 872 . 1 1 71 71 ILE H H 1 9.320 0.03 . 1 . . . . . . . . 6337 1 873 . 1 1 71 71 ILE CA C 13 59.821 0.3 . 1 . . . . . . . . 6337 1 874 . 1 1 71 71 ILE HA H 1 4.406 0.03 . 1 . . . . . . . . 6337 1 875 . 1 1 71 71 ILE CB C 13 38.755 0.3 . 1 . . . . . . . . 6337 1 876 . 1 1 71 71 ILE HB H 1 1.356 0.03 . 1 . . . . . . . . 6337 1 877 . 1 1 71 71 ILE CG1 C 13 27.332 0.3 . 1 . . . . . . . . 6337 1 878 . 1 1 71 71 ILE HG13 H 1 1.250 0.03 . 4 . . . . . . . . 6337 1 879 . 1 1 71 71 ILE HG12 H 1 0.620 0.03 . 4 . . . . . . . . 6337 1 880 . 1 1 71 71 ILE CD1 C 13 14.995 0.3 . 1 . . . . . . . . 6337 1 881 . 1 1 71 71 ILE HD11 H 1 0.548 0.03 . 1 . . . . . . . . 6337 1 882 . 1 1 71 71 ILE HD12 H 1 0.548 0.03 . 1 . . . . . . . . 6337 1 883 . 1 1 71 71 ILE HD13 H 1 0.548 0.03 . 1 . . . . . . . . 6337 1 884 . 1 1 71 71 ILE CG2 C 13 16.887 0.3 . 1 . . . . . . . . 6337 1 885 . 1 1 71 71 ILE HG21 H 1 0.305 0.03 . 1 . . . . . . . . 6337 1 886 . 1 1 71 71 ILE HG22 H 1 0.305 0.03 . 1 . . . . . . . . 6337 1 887 . 1 1 71 71 ILE HG23 H 1 0.305 0.03 . 1 . . . . . . . . 6337 1 888 . 1 1 71 71 ILE C C 13 176.049 0.3 . 1 . . . . . . . . 6337 1 889 . 1 1 72 72 ASN N N 15 128.221 0.3 . 1 . . . . . . . . 6337 1 890 . 1 1 72 72 ASN H H 1 9.763 0.03 . 1 . . . . . . . . 6337 1 891 . 1 1 72 72 ASN CA C 13 54.909 0.3 . 1 . . . . . . . . 6337 1 892 . 1 1 72 72 ASN HA H 1 4.291 0.03 . 1 . . . . . . . . 6337 1 893 . 1 1 72 72 ASN CB C 13 37.216 0.3 . 1 . . . . . . . . 6337 1 894 . 1 1 72 72 ASN HB3 H 1 2.748 0.03 . 2 . . . . . . . . 6337 1 895 . 1 1 72 72 ASN HB2 H 1 3.037 0.03 . 2 . . . . . . . . 6337 1 896 . 1 1 72 72 ASN ND2 N 15 117.731 0.3 . 1 . . . . . . . . 6337 1 897 . 1 1 72 72 ASN HD21 H 1 7.448 0.03 . 2 . . . . . . . . 6337 1 898 . 1 1 72 72 ASN HD22 H 1 7.393 0.03 . 2 . . . . . . . . 6337 1 899 . 1 1 72 72 ASN C C 13 174.987 0.3 . 1 . . . . . . . . 6337 1 900 . 1 1 73 73 ASP N N 15 108.488 0.3 . 1 . . . . . . . . 6337 1 901 . 1 1 73 73 ASP H H 1 8.874 0.03 . 1 . . . . . . . . 6337 1 902 . 1 1 73 73 ASP CA C 13 56.799 0.3 . 1 . . . . . . . . 6337 1 903 . 1 1 73 73 ASP HA H 1 3.980 0.03 . 1 . . . . . . . . 6337 1 904 . 1 1 73 73 ASP CB C 13 40.002 0.3 . 1 . . . . . . . . 6337 1 905 . 1 1 73 73 ASP HB3 H 1 2.980 0.03 . 2 . . . . . . . . 6337 1 906 . 1 1 73 73 ASP HB2 H 1 2.859 0.03 . 2 . . . . . . . . 6337 1 907 . 1 1 73 73 ASP C C 13 173.903 0.3 . 1 . . . . . . . . 6337 1 908 . 1 1 74 74 ALA N N 15 123.754 0.3 . 1 . . . . . . . . 6337 1 909 . 1 1 74 74 ALA H H 1 7.953 0.03 . 1 . . . . . . . . 6337 1 910 . 1 1 74 74 ALA CA C 13 50.554 0.3 . 1 . . . . . . . . 6337 1 911 . 1 1 74 74 ALA HA H 1 4.701 0.03 . 1 . . . . . . . . 6337 1 912 . 1 1 74 74 ALA CB C 13 21.133 0.3 . 1 . . . . . . . . 6337 1 913 . 1 1 74 74 ALA HB1 H 1 1.384 0.03 . 1 . . . . . . . . 6337 1 914 . 1 1 74 74 ALA HB2 H 1 1.384 0.03 . 1 . . . . . . . . 6337 1 915 . 1 1 74 74 ALA HB3 H 1 1.384 0.03 . 1 . . . . . . . . 6337 1 916 . 1 1 74 74 ALA C C 13 176.137 0.3 . 1 . . . . . . . . 6337 1 917 . 1 1 75 75 ASP N N 15 122.994 0.3 . 1 . . . . . . . . 6337 1 918 . 1 1 75 75 ASP H H 1 8.551 0.03 . 1 . . . . . . . . 6337 1 919 . 1 1 75 75 ASP CA C 13 55.491 0.3 . 1 . . . . . . . . 6337 1 920 . 1 1 75 75 ASP HA H 1 4.521 0.03 . 1 . . . . . . . . 6337 1 921 . 1 1 75 75 ASP CB C 13 42.198 0.3 . 1 . . . . . . . . 6337 1 922 . 1 1 75 75 ASP HB3 H 1 2.713 0.03 . 2 . . . . . . . . 6337 1 923 . 1 1 75 75 ASP HB2 H 1 2.880 0.03 . 2 . . . . . . . . 6337 1 924 . 1 1 75 75 ASP C C 13 178.648 0.3 . 1 . . . . . . . . 6337 1 925 . 1 1 76 76 TRP N N 15 125.440 0.3 . 1 . . . . . . . . 6337 1 926 . 1 1 76 76 TRP H H 1 8.793 0.03 . 1 . . . . . . . . 6337 1 927 . 1 1 76 76 TRP CA C 13 59.281 0.3 . 1 . . . . . . . . 6337 1 928 . 1 1 76 76 TRP HA H 1 4.364 0.03 . 1 . . . . . . . . 6337 1 929 . 1 1 76 76 TRP CB C 13 28.083 0.3 . 1 . . . . . . . . 6337 1 930 . 1 1 76 76 TRP HB3 H 1 3.404 0.03 . 2 . . . . . . . . 6337 1 931 . 1 1 76 76 TRP HB2 H 1 2.869 0.03 . 2 . . . . . . . . 6337 1 932 . 1 1 76 76 TRP HD1 H 1 7.262 0.03 . 1 . . . . . . . . 6337 1 933 . 1 1 76 76 TRP NE1 N 15 131.060 0.3 . 1 . . . . . . . . 6337 1 934 . 1 1 76 76 TRP HE1 H 1 10.487 0.03 . 3 . . . . . . . . 6337 1 935 . 1 1 76 76 TRP HZ2 H 1 7.184 0.03 . 3 . . . . . . . . 6337 1 936 . 1 1 76 76 TRP HE3 H 1 7.800 0.03 . 3 . . . . . . . . 6337 1 937 . 1 1 76 76 TRP C C 13 177.848 0.3 . 1 . . . . . . . . 6337 1 938 . 1 1 77 77 GLU N N 15 126.638 0.3 . 1 . . . . . . . . 6337 1 939 . 1 1 77 77 GLU H H 1 9.526 0.03 . 1 . . . . . . . . 6337 1 940 . 1 1 77 77 GLU CA C 13 59.546 0.3 . 1 . . . . . . . . 6337 1 941 . 1 1 77 77 GLU HA H 1 3.881 0.03 . 1 . . . . . . . . 6337 1 942 . 1 1 77 77 GLU CB C 13 29.160 0.3 . 1 . . . . . . . . 6337 1 943 . 1 1 77 77 GLU HB3 H 1 2.050 0.03 . 1 . . . . . . . . 6337 1 944 . 1 1 77 77 GLU HB2 H 1 2.050 0.03 . 1 . . . . . . . . 6337 1 945 . 1 1 77 77 GLU CG C 13 36.781 0.3 . 1 . . . . . . . . 6337 1 946 . 1 1 77 77 GLU HG3 H 1 2.457 0.03 . 2 . . . . . . . . 6337 1 947 . 1 1 77 77 GLU HG2 H 1 2.166 0.03 . 2 . . . . . . . . 6337 1 948 . 1 1 77 77 GLU C C 13 179.136 0.3 . 1 . . . . . . . . 6337 1 949 . 1 1 78 78 LEU N N 15 118.078 0.3 . 1 . . . . . . . . 6337 1 950 . 1 1 78 78 LEU H H 1 8.154 0.03 . 1 . . . . . . . . 6337 1 951 . 1 1 78 78 LEU CA C 13 55.915 0.3 . 1 . . . . . . . . 6337 1 952 . 1 1 78 78 LEU HA H 1 4.348 0.03 . 1 . . . . . . . . 6337 1 953 . 1 1 78 78 LEU CB C 13 41.948 0.3 . 1 . . . . . . . . 6337 1 954 . 1 1 78 78 LEU HB3 H 1 1.974 0.03 . 2 . . . . . . . . 6337 1 955 . 1 1 78 78 LEU HB2 H 1 1.700 0.03 . 2 . . . . . . . . 6337 1 956 . 1 1 78 78 LEU CG C 13 27.457 0.3 . 1 . . . . . . . . 6337 1 957 . 1 1 78 78 LEU HG H 1 1.780 0.03 . 1 . . . . . . . . 6337 1 958 . 1 1 78 78 LEU CD1 C 13 25.505 0.3 . 1 . . . . . . . . 6337 1 959 . 1 1 78 78 LEU HD11 H 1 1.069 0.03 . 2 . . . . . . . . 6337 1 960 . 1 1 78 78 LEU HD12 H 1 1.069 0.03 . 2 . . . . . . . . 6337 1 961 . 1 1 78 78 LEU HD13 H 1 1.069 0.03 . 2 . . . . . . . . 6337 1 962 . 1 1 78 78 LEU CD2 C 13 22.595 0.3 . 1 . . . . . . . . 6337 1 963 . 1 1 78 78 LEU HD21 H 1 0.937 0.03 . 2 . . . . . . . . 6337 1 964 . 1 1 78 78 LEU HD22 H 1 0.937 0.03 . 2 . . . . . . . . 6337 1 965 . 1 1 78 78 LEU HD23 H 1 0.937 0.03 . 2 . . . . . . . . 6337 1 966 . 1 1 78 78 LEU C C 13 178.239 0.3 . 1 . . . . . . . . 6337 1 967 . 1 1 79 79 LEU N N 15 117.648 0.3 . 1 . . . . . . . . 6337 1 968 . 1 1 79 79 LEU H H 1 7.270 0.03 . 1 . . . . . . . . 6337 1 969 . 1 1 79 79 LEU CA C 13 54.377 0.3 . 1 . . . . . . . . 6337 1 970 . 1 1 79 79 LEU HA H 1 4.661 0.03 . 1 . . . . . . . . 6337 1 971 . 1 1 79 79 LEU CB C 13 44.792 0.3 . 1 . . . . . . . . 6337 1 972 . 1 1 79 79 LEU HB3 H 1 2.082 0.03 . 2 . . . . . . . . 6337 1 973 . 1 1 79 79 LEU HB2 H 1 1.344 0.03 . 2 . . . . . . . . 6337 1 974 . 1 1 79 79 LEU CG C 13 26.486 0.3 . 1 . . . . . . . . 6337 1 975 . 1 1 79 79 LEU HG H 1 1.384 0.03 . 1 . . . . . . . . 6337 1 976 . 1 1 79 79 LEU CD1 C 13 26.486 0.3 . 1 . . . . . . . . 6337 1 977 . 1 1 79 79 LEU HD11 H 1 0.662 0.03 . 2 . . . . . . . . 6337 1 978 . 1 1 79 79 LEU HD12 H 1 0.662 0.03 . 2 . . . . . . . . 6337 1 979 . 1 1 79 79 LEU HD13 H 1 0.662 0.03 . 2 . . . . . . . . 6337 1 980 . 1 1 79 79 LEU CD2 C 13 22.909 0.3 . 1 . . . . . . . . 6337 1 981 . 1 1 79 79 LEU HD21 H 1 0.851 0.03 . 2 . . . . . . . . 6337 1 982 . 1 1 79 79 LEU HD22 H 1 0.851 0.03 . 2 . . . . . . . . 6337 1 983 . 1 1 79 79 LEU HD23 H 1 0.851 0.03 . 2 . . . . . . . . 6337 1 984 . 1 1 79 79 LEU C C 13 176.718 0.3 . 1 . . . . . . . . 6337 1 985 . 1 1 80 80 GLY N N 15 106.358 0.3 . 1 . . . . . . . . 6337 1 986 . 1 1 80 80 GLY H H 1 7.508 0.03 . 1 . . . . . . . . 6337 1 987 . 1 1 80 80 GLY CA C 13 44.948 0.3 . 1 . . . . . . . . 6337 1 988 . 1 1 80 80 GLY HA3 H 1 4.347 0.03 . 2 . . . . . . . . 6337 1 989 . 1 1 80 80 GLY HA2 H 1 3.624 0.03 . 2 . . . . . . . . 6337 1 990 . 1 1 80 80 GLY C C 13 174.335 0.3 . 1 . . . . . . . . 6337 1 991 . 1 1 81 81 GLU N N 15 120.190 0.3 . 1 . . . . . . . . 6337 1 992 . 1 1 81 81 GLU H H 1 8.167 0.03 . 1 . . . . . . . . 6337 1 993 . 1 1 81 81 GLU CA C 13 58.299 0.3 . 1 . . . . . . . . 6337 1 994 . 1 1 81 81 GLU HA H 1 2.685 0.03 . 1 . . . . . . . . 6337 1 995 . 1 1 81 81 GLU CB C 13 27.692 0.3 . 1 . . . . . . . . 6337 1 996 . 1 1 81 81 GLU HB3 H 1 1.412 0.03 . 2 . . . . . . . . 6337 1 997 . 1 1 81 81 GLU HB2 H 1 0.952 0.03 . 2 . . . . . . . . 6337 1 998 . 1 1 81 81 GLU CG C 13 34.948 0.3 . 1 . . . . . . . . 6337 1 999 . 1 1 81 81 GLU HG3 H 1 0.146 0.03 . 2 . . . . . . . . 6337 1 1000 . 1 1 81 81 GLU HG2 H 1 1.164 0.03 . 2 . . . . . . . . 6337 1 1001 . 1 1 81 81 GLU C C 13 175.659 0.3 . 1 . . . . . . . . 6337 1 1002 . 1 1 82 82 LEU N N 15 121.855 0.3 . 1 . . . . . . . . 6337 1 1003 . 1 1 82 82 LEU H H 1 7.682 0.03 . 1 . . . . . . . . 6337 1 1004 . 1 1 82 82 LEU CA C 13 57.827 0.3 . 1 . . . . . . . . 6337 1 1005 . 1 1 82 82 LEU HA H 1 4.039 0.03 . 1 . . . . . . . . 6337 1 1006 . 1 1 82 82 LEU CB C 13 43.528 0.3 . 1 . . . . . . . . 6337 1 1007 . 1 1 82 82 LEU HB3 H 1 1.378 0.03 . 2 . . . . . . . . 6337 1 1008 . 1 1 82 82 LEU HB2 H 1 1.853 0.03 . 2 . . . . . . . . 6337 1 1009 . 1 1 82 82 LEU CG C 13 26.242 0.3 . 1 . . . . . . . . 6337 1 1010 . 1 1 82 82 LEU HG H 1 0.982 0.03 . 1 . . . . . . . . 6337 1 1011 . 1 1 82 82 LEU CD1 C 13 26.242 0.3 . 1 . . . . . . . . 6337 1 1012 . 1 1 82 82 LEU HD11 H 1 0.982 0.03 . 2 . . . . . . . . 6337 1 1013 . 1 1 82 82 LEU HD12 H 1 0.982 0.03 . 2 . . . . . . . . 6337 1 1014 . 1 1 82 82 LEU HD13 H 1 0.982 0.03 . 2 . . . . . . . . 6337 1 1015 . 1 1 82 82 LEU CD2 C 13 23.589 0.3 . 1 . . . . . . . . 6337 1 1016 . 1 1 82 82 LEU HD21 H 1 1.311 0.03 . 2 . . . . . . . . 6337 1 1017 . 1 1 82 82 LEU HD22 H 1 1.311 0.03 . 2 . . . . . . . . 6337 1 1018 . 1 1 82 82 LEU HD23 H 1 1.311 0.03 . 2 . . . . . . . . 6337 1 1019 . 1 1 82 82 LEU C C 13 174.978 0.3 . 1 . . . . . . . . 6337 1 1020 . 1 1 83 83 ASP N N 15 111.805 0.3 . 1 . . . . . . . . 6337 1 1021 . 1 1 83 83 ASP H H 1 7.720 0.03 . 1 . . . . . . . . 6337 1 1022 . 1 1 83 83 ASP CA C 13 54.374 0.3 . 1 . . . . . . . . 6337 1 1023 . 1 1 83 83 ASP HA H 1 4.709 0.03 . 1 . . . . . . . . 6337 1 1024 . 1 1 83 83 ASP CB C 13 41.759 0.3 . 1 . . . . . . . . 6337 1 1025 . 1 1 83 83 ASP HB3 H 1 2.590 0.03 . 2 . . . . . . . . 6337 1 1026 . 1 1 83 83 ASP HB2 H 1 2.951 0.03 . 2 . . . . . . . . 6337 1 1027 . 1 1 83 83 ASP C C 13 176.865 0.3 . 1 . . . . . . . . 6337 1 1028 . 1 1 84 84 TYR N N 15 123.398 0.3 . 1 . . . . . . . . 6337 1 1029 . 1 1 84 84 TYR H H 1 7.597 0.03 . 1 . . . . . . . . 6337 1 1030 . 1 1 84 84 TYR CA C 13 60.337 0.3 . 1 . . . . . . . . 6337 1 1031 . 1 1 84 84 TYR HA H 1 4.171 0.03 . 1 . . . . . . . . 6337 1 1032 . 1 1 84 84 TYR CB C 13 36.915 0.3 . 1 . . . . . . . . 6337 1 1033 . 1 1 84 84 TYR HB3 H 1 2.862 0.03 . 2 . . . . . . . . 6337 1 1034 . 1 1 84 84 TYR HB2 H 1 3.056 0.03 . 2 . . . . . . . . 6337 1 1035 . 1 1 84 84 TYR HD1 H 1 7.087 0.03 . 3 . . . . . . . . 6337 1 1036 . 1 1 84 84 TYR HE1 H 1 7.178 0.03 . 3 . . . . . . . . 6337 1 1037 . 1 1 84 84 TYR C C 13 174.473 0.3 . 1 . . . . . . . . 6337 1 1038 . 1 1 85 85 GLN N N 15 126.764 0.3 . 1 . . . . . . . . 6337 1 1039 . 1 1 85 85 GLN H H 1 7.623 0.03 . 1 . . . . . . . . 6337 1 1040 . 1 1 85 85 GLN CA C 13 54.970 0.3 . 1 . . . . . . . . 6337 1 1041 . 1 1 85 85 GLN HA H 1 4.319 0.03 . 1 . . . . . . . . 6337 1 1042 . 1 1 85 85 GLN CB C 13 27.771 0.3 . 1 . . . . . . . . 6337 1 1043 . 1 1 85 85 GLN HB3 H 1 1.720 0.03 . 2 . . . . . . . . 6337 1 1044 . 1 1 85 85 GLN HB2 H 1 1.858 0.03 . 2 . . . . . . . . 6337 1 1045 . 1 1 85 85 GLN CG C 13 34.328 0.3 . 1 . . . . . . . . 6337 1 1046 . 1 1 85 85 GLN HG3 H 1 2.586 0.03 . 2 . . . . . . . . 6337 1 1047 . 1 1 85 85 GLN HG2 H 1 2.120 0.03 . 2 . . . . . . . . 6337 1 1048 . 1 1 85 85 GLN NE2 N 15 111.617 0.3 . 1 . . . . . . . . 6337 1 1049 . 1 1 85 85 GLN HE21 H 1 7.736 0.03 . 2 . . . . . . . . 6337 1 1050 . 1 1 85 85 GLN HE22 H 1 6.816 0.03 . 2 . . . . . . . . 6337 1 1051 . 1 1 85 85 GLN C C 13 174.315 0.3 . 1 . . . . . . . . 6337 1 1052 . 1 1 86 86 LEU N N 15 121.855 0.3 . 1 . . . . . . . . 6337 1 1053 . 1 1 86 86 LEU H H 1 7.608 0.03 . 1 . . . . . . . . 6337 1 1054 . 1 1 86 86 LEU CA C 13 55.479 0.3 . 1 . . . . . . . . 6337 1 1055 . 1 1 86 86 LEU HA H 1 4.083 0.03 . 1 . . . . . . . . 6337 1 1056 . 1 1 86 86 LEU CB C 13 43.360 0.3 . 1 . . . . . . . . 6337 1 1057 . 1 1 86 86 LEU HB3 H 1 1.211 0.03 . 2 . . . . . . . . 6337 1 1058 . 1 1 86 86 LEU HB2 H 1 1.550 0.03 . 2 . . . . . . . . 6337 1 1059 . 1 1 86 86 LEU CG C 13 27.909 0.3 . 1 . . . . . . . . 6337 1 1060 . 1 1 86 86 LEU HG H 1 1.622 0.03 . 1 . . . . . . . . 6337 1 1061 . 1 1 86 86 LEU CD1 C 13 24.512 0.3 . 1 . . . . . . . . 6337 1 1062 . 1 1 86 86 LEU HD11 H 1 1.074 0.03 . 2 . . . . . . . . 6337 1 1063 . 1 1 86 86 LEU HD12 H 1 1.074 0.03 . 2 . . . . . . . . 6337 1 1064 . 1 1 86 86 LEU HD13 H 1 1.074 0.03 . 2 . . . . . . . . 6337 1 1065 . 1 1 86 86 LEU CD2 C 13 27.392 0.3 . 1 . . . . . . . . 6337 1 1066 . 1 1 86 86 LEU HD21 H 1 0.869 0.03 . 2 . . . . . . . . 6337 1 1067 . 1 1 86 86 LEU HD22 H 1 0.869 0.03 . 2 . . . . . . . . 6337 1 1068 . 1 1 86 86 LEU HD23 H 1 0.869 0.03 . 2 . . . . . . . . 6337 1 1069 . 1 1 86 86 LEU C C 13 175.779 0.3 . 1 . . . . . . . . 6337 1 1070 . 1 1 87 87 GLN N N 15 120.093 0.3 . 1 . . . . . . . . 6337 1 1071 . 1 1 87 87 GLN H H 1 8.749 0.03 . 1 . . . . . . . . 6337 1 1072 . 1 1 87 87 GLN CA C 13 52.741 0.3 . 1 . . . . . . . . 6337 1 1073 . 1 1 87 87 GLN HA H 1 4.430 0.03 . 1 . . . . . . . . 6337 1 1074 . 1 1 87 87 GLN CB C 13 31.076 0.3 . 1 . . . . . . . . 6337 1 1075 . 1 1 87 87 GLN HB3 H 1 2.086 0.03 . 2 . . . . . . . . 6337 1 1076 . 1 1 87 87 GLN HB2 H 1 2.023 0.03 . 2 . . . . . . . . 6337 1 1077 . 1 1 87 87 GLN CG C 13 33.791 0.3 . 1 . . . . . . . . 6337 1 1078 . 1 1 87 87 GLN HG3 H 1 2.491 0.03 . 2 . . . . . . . . 6337 1 1079 . 1 1 87 87 GLN HG2 H 1 2.372 0.03 . 2 . . . . . . . . 6337 1 1080 . 1 1 87 87 GLN NE2 N 15 114.176 0.3 . 1 . . . . . . . . 6337 1 1081 . 1 1 87 87 GLN HE21 H 1 7.222 0.03 . 2 . . . . . . . . 6337 1 1082 . 1 1 87 87 GLN HE22 H 1 6.829 0.03 . 2 . . . . . . . . 6337 1 1083 . 1 1 87 87 GLN C C 13 174.885 0.3 . 1 . . . . . . . . 6337 1 1084 . 1 1 88 88 ASP N N 15 120.657 0.3 . 1 . . . . . . . . 6337 1 1085 . 1 1 88 88 ASP H H 1 8.563 0.03 . 1 . . . . . . . . 6337 1 1086 . 1 1 88 88 ASP CA C 13 56.898 0.3 . 1 . . . . . . . . 6337 1 1087 . 1 1 88 88 ASP HA H 1 4.291 0.03 . 1 . . . . . . . . 6337 1 1088 . 1 1 88 88 ASP CB C 13 41.830 0.3 . 1 . . . . . . . . 6337 1 1089 . 1 1 88 88 ASP HB3 H 1 2.510 0.03 . 2 . . . . . . . . 6337 1 1090 . 1 1 88 88 ASP HB2 H 1 2.705 0.03 . 2 . . . . . . . . 6337 1 1091 . 1 1 88 88 ASP C C 13 177.477 0.3 . 1 . . . . . . . . 6337 1 1092 . 1 1 89 89 GLN N N 15 116.496 0.3 . 1 . . . . . . . . 6337 1 1093 . 1 1 89 89 GLN H H 1 9.302 0.03 . 1 . . . . . . . . 6337 1 1094 . 1 1 89 89 GLN CA C 13 57.486 0.3 . 1 . . . . . . . . 6337 1 1095 . 1 1 89 89 GLN HA H 1 3.616 0.03 . 1 . . . . . . . . 6337 1 1096 . 1 1 89 89 GLN CB C 13 25.486 0.3 . 1 . . . . . . . . 6337 1 1097 . 1 1 89 89 GLN HB3 H 1 2.340 0.03 . 2 . . . . . . . . 6337 1 1098 . 1 1 89 89 GLN HB2 H 1 2.438 0.03 . 2 . . . . . . . . 6337 1 1099 . 1 1 89 89 GLN CG C 13 33.208 0.3 . 1 . . . . . . . . 6337 1 1100 . 1 1 89 89 GLN HG3 H 1 2.328 0.03 . 2 . . . . . . . . 6337 1 1101 . 1 1 89 89 GLN HG2 H 1 2.238 0.03 . 2 . . . . . . . . 6337 1 1102 . 1 1 89 89 GLN NE2 N 15 113.581 0.3 . 1 . . . . . . . . 6337 1 1103 . 1 1 89 89 GLN HE21 H 1 6.696 0.03 . 2 . . . . . . . . 6337 1 1104 . 1 1 89 89 GLN HE22 H 1 7.692 0.03 . 2 . . . . . . . . 6337 1 1105 . 1 1 89 89 GLN C C 13 175.266 0.3 . 1 . . . . . . . . 6337 1 1106 . 1 1 90 90 ASP N N 15 121.078 0.3 . 1 . . . . . . . . 6337 1 1107 . 1 1 90 90 ASP H H 1 8.237 0.03 . 1 . . . . . . . . 6337 1 1108 . 1 1 90 90 ASP CA C 13 56.298 0.3 . 1 . . . . . . . . 6337 1 1109 . 1 1 90 90 ASP HA H 1 4.774 0.03 . 1 . . . . . . . . 6337 1 1110 . 1 1 90 90 ASP CB C 13 42.212 0.3 . 1 . . . . . . . . 6337 1 1111 . 1 1 90 90 ASP HB3 H 1 2.350 0.03 . 2 . . . . . . . . 6337 1 1112 . 1 1 90 90 ASP HB2 H 1 2.926 0.03 . 2 . . . . . . . . 6337 1 1113 . 1 1 90 90 ASP C C 13 174.875 0.3 . 1 . . . . . . . . 6337 1 1114 . 1 1 91 91 SER N N 15 113.447 0.3 . 1 . . . . . . . . 6337 1 1115 . 1 1 91 91 SER H H 1 8.261 0.03 . 1 . . . . . . . . 6337 1 1116 . 1 1 91 91 SER CA C 13 55.983 0.3 . 1 . . . . . . . . 6337 1 1117 . 1 1 91 91 SER HA H 1 5.292 0.03 . 1 . . . . . . . . 6337 1 1118 . 1 1 91 91 SER CB C 13 64.279 0.3 . 1 . . . . . . . . 6337 1 1119 . 1 1 91 91 SER HB3 H 1 3.827 0.03 . 2 . . . . . . . . 6337 1 1120 . 1 1 91 91 SER HB2 H 1 3.667 0.03 . 2 . . . . . . . . 6337 1 1121 . 1 1 91 91 SER C C 13 173.320 0.3 . 1 . . . . . . . . 6337 1 1122 . 1 1 92 92 ILE N N 15 128.291 0.3 . 1 . . . . . . . . 6337 1 1123 . 1 1 92 92 ILE H H 1 9.136 0.03 . 1 . . . . . . . . 6337 1 1124 . 1 1 92 92 ILE CA C 13 59.601 0.3 . 1 . . . . . . . . 6337 1 1125 . 1 1 92 92 ILE HA H 1 4.651 0.03 . 1 . . . . . . . . 6337 1 1126 . 1 1 92 92 ILE CB C 13 39.176 0.3 . 1 . . . . . . . . 6337 1 1127 . 1 1 92 92 ILE HB H 1 1.677 0.03 . 1 . . . . . . . . 6337 1 1128 . 1 1 92 92 ILE CG1 C 13 28.528 0.3 . 1 . . . . . . . . 6337 1 1129 . 1 1 92 92 ILE HG13 H 1 1.121 0.03 . 4 . . . . . . . . 6337 1 1130 . 1 1 92 92 ILE HG12 H 1 1.078 0.03 . 4 . . . . . . . . 6337 1 1131 . 1 1 92 92 ILE CD1 C 13 14.386 0.3 . 1 . . . . . . . . 6337 1 1132 . 1 1 92 92 ILE HD11 H 1 0.710 0.03 . 1 . . . . . . . . 6337 1 1133 . 1 1 92 92 ILE HD12 H 1 0.710 0.03 . 1 . . . . . . . . 6337 1 1134 . 1 1 92 92 ILE HD13 H 1 0.710 0.03 . 1 . . . . . . . . 6337 1 1135 . 1 1 92 92 ILE CG2 C 13 19.675 0.3 . 1 . . . . . . . . 6337 1 1136 . 1 1 92 92 ILE HG21 H 1 0.173 0.03 . 1 . . . . . . . . 6337 1 1137 . 1 1 92 92 ILE HG22 H 1 0.173 0.03 . 1 . . . . . . . . 6337 1 1138 . 1 1 92 92 ILE HG23 H 1 0.173 0.03 . 1 . . . . . . . . 6337 1 1139 . 1 1 92 92 ILE C C 13 173.108 0.3 . 1 . . . . . . . . 6337 1 1140 . 1 1 93 93 LEU N N 15 131.115 0.3 . 1 . . . . . . . . 6337 1 1141 . 1 1 93 93 LEU H H 1 8.907 0.03 . 1 . . . . . . . . 6337 1 1142 . 1 1 93 93 LEU CA C 13 52.995 0.3 . 1 . . . . . . . . 6337 1 1143 . 1 1 93 93 LEU HA H 1 4.969 0.03 . 1 . . . . . . . . 6337 1 1144 . 1 1 93 93 LEU CB C 13 45.123 0.3 . 1 . . . . . . . . 6337 1 1145 . 1 1 93 93 LEU HB3 H 1 1.550 0.03 . 2 . . . . . . . . 6337 1 1146 . 1 1 93 93 LEU HB2 H 1 1.235 0.03 . 2 . . . . . . . . 6337 1 1147 . 1 1 93 93 LEU CG C 13 27.871 0.3 . 1 . . . . . . . . 6337 1 1148 . 1 1 93 93 LEU HG H 1 1.247 0.03 . 1 . . . . . . . . 6337 1 1149 . 1 1 93 93 LEU CD1 C 13 26.226 0.3 . 1 . . . . . . . . 6337 1 1150 . 1 1 93 93 LEU HD11 H 1 0.736 0.03 . 2 . . . . . . . . 6337 1 1151 . 1 1 93 93 LEU HD12 H 1 0.736 0.03 . 2 . . . . . . . . 6337 1 1152 . 1 1 93 93 LEU HD13 H 1 0.736 0.03 . 2 . . . . . . . . 6337 1 1153 . 1 1 93 93 LEU CD2 C 13 22.934 0.3 . 1 . . . . . . . . 6337 1 1154 . 1 1 93 93 LEU HD21 H 1 0.619 0.03 . 2 . . . . . . . . 6337 1 1155 . 1 1 93 93 LEU HD22 H 1 0.619 0.03 . 2 . . . . . . . . 6337 1 1156 . 1 1 93 93 LEU HD23 H 1 0.619 0.03 . 2 . . . . . . . . 6337 1 1157 . 1 1 93 93 LEU C C 13 173.621 0.3 . 1 . . . . . . . . 6337 1 1158 . 1 1 94 94 PHE N N 15 122.469 0.3 . 1 . . . . . . . . 6337 1 1159 . 1 1 94 94 PHE H H 1 8.779 0.03 . 1 . . . . . . . . 6337 1 1160 . 1 1 94 94 PHE CA C 13 55.816 0.3 . 1 . . . . . . . . 6337 1 1161 . 1 1 94 94 PHE HA H 1 5.426 0.03 . 1 . . . . . . . . 6337 1 1162 . 1 1 94 94 PHE CB C 13 41.216 0.3 . 1 . . . . . . . . 6337 1 1163 . 1 1 94 94 PHE HB3 H 1 2.889 0.03 . 2 . . . . . . . . 6337 1 1164 . 1 1 94 94 PHE HB2 H 1 3.423 0.03 . 2 . . . . . . . . 6337 1 1165 . 1 1 94 94 PHE HD1 H 1 6.899 0.03 . 3 . . . . . . . . 6337 1 1166 . 1 1 94 94 PHE C C 13 175.015 0.3 . 1 . . . . . . . . 6337 1 1167 . 1 1 95 95 ILE N N 15 121.608 0.3 . 1 . . . . . . . . 6337 1 1168 . 1 1 95 95 ILE H H 1 9.095 0.03 . 1 . . . . . . . . 6337 1 1169 . 1 1 95 95 ILE CA C 13 58.794 0.3 . 1 . . . . . . . . 6337 1 1170 . 1 1 95 95 ILE HA H 1 4.603 0.03 . 1 . . . . . . . . 6337 1 1171 . 1 1 95 95 ILE CB C 13 41.203 0.3 . 1 . . . . . . . . 6337 1 1172 . 1 1 95 95 ILE HB H 1 1.691 0.03 . 1 . . . . . . . . 6337 1 1173 . 1 1 95 95 ILE CG1 C 13 27.162 0.3 . 1 . . . . . . . . 6337 1 1174 . 1 1 95 95 ILE HG13 H 1 1.369 0.03 . 2 . . . . . . . . 6337 1 1175 . 1 1 95 95 ILE HG12 H 1 0.909 0.03 . 4 . . . . . . . . 6337 1 1176 . 1 1 95 95 ILE CD1 C 13 13.173 0.3 . 1 . . . . . . . . 6337 1 1177 . 1 1 95 95 ILE HD11 H 1 0.782 0.03 . 1 . . . . . . . . 6337 1 1178 . 1 1 95 95 ILE HD12 H 1 0.782 0.03 . 1 . . . . . . . . 6337 1 1179 . 1 1 95 95 ILE HD13 H 1 0.782 0.03 . 1 . . . . . . . . 6337 1 1180 . 1 1 95 95 ILE CG2 C 13 17.051 0.3 . 1 . . . . . . . . 6337 1 1181 . 1 1 95 95 ILE HG21 H 1 0.825 0.03 . 1 . . . . . . . . 6337 1 1182 . 1 1 95 95 ILE HG22 H 1 0.825 0.03 . 1 . . . . . . . . 6337 1 1183 . 1 1 95 95 ILE HG23 H 1 0.825 0.03 . 1 . . . . . . . . 6337 1 1184 . 1 1 95 95 ILE C C 13 175.949 0.3 . 1 . . . . . . . . 6337 1 1185 . 1 1 96 96 SER N N 15 119.668 0.3 . 1 . . . . . . . . 6337 1 1186 . 1 1 96 96 SER H H 1 8.116 0.03 . 1 . . . . . . . . 6337 1 1187 . 1 1 96 96 SER CA C 13 58.091 0.3 . 1 . . . . . . . . 6337 1 1188 . 1 1 96 96 SER HA H 1 4.948 0.03 . 1 . . . . . . . . 6337 1 1189 . 1 1 96 96 SER CB C 13 63.919 0.3 . 1 . . . . . . . . 6337 1 1190 . 1 1 96 96 SER HB3 H 1 3.870 0.03 . 2 . . . . . . . . 6337 1 1191 . 1 1 96 96 SER HB2 H 1 4.000 0.03 . 2 . . . . . . . . 6337 1 1192 . 1 1 96 96 SER C C 13 174.895 0.3 . 1 . . . . . . . . 6337 1 1193 . 1 1 97 97 THR N N 15 116.096 0.3 . 1 . . . . . . . . 6337 1 1194 . 1 1 97 97 THR H H 1 8.127 0.03 . 1 . . . . . . . . 6337 1 1195 . 1 1 97 97 THR CA C 13 61.628 0.3 . 1 . . . . . . . . 6337 1 1196 . 1 1 97 97 THR HA H 1 4.678 0.03 . 1 . . . . . . . . 6337 1 1197 . 1 1 97 97 THR CB C 13 70.100 0.3 . 1 . . . . . . . . 6337 1 1198 . 1 1 97 97 THR HB H 1 4.460 0.03 . 1 . . . . . . . . 6337 1 1199 . 1 1 97 97 THR CG2 C 13 21.242 0.3 . 1 . . . . . . . . 6337 1 1200 . 1 1 97 97 THR HG21 H 1 1.265 0.03 . 1 . . . . . . . . 6337 1 1201 . 1 1 97 97 THR HG22 H 1 1.265 0.03 . 1 . . . . . . . . 6337 1 1202 . 1 1 97 97 THR HG23 H 1 1.265 0.03 . 1 . . . . . . . . 6337 1 1203 . 1 1 97 97 THR C C 13 174.799 0.3 . 1 . . . . . . . . 6337 1 1204 . 1 1 98 98 LEU N N 15 122.618 0.3 . 1 . . . . . . . . 6337 1 1205 . 1 1 98 98 LEU H H 1 8.190 0.03 . 1 . . . . . . . . 6337 1 1206 . 1 1 98 98 LEU CA C 13 55.784 0.3 . 1 . . . . . . . . 6337 1 1207 . 1 1 98 98 LEU HA H 1 4.371 0.03 . 1 . . . . . . . . 6337 1 1208 . 1 1 98 98 LEU CB C 13 42.500 0.3 . 1 . . . . . . . . 6337 1 1209 . 1 1 98 98 LEU HB3 H 1 1.547 0.03 . 1 . . . . . . . . 6337 1 1210 . 1 1 98 98 LEU HB2 H 1 1.547 0.03 . 1 . . . . . . . . 6337 1 1211 . 1 1 98 98 LEU CG C 13 27.192 0.3 . 1 . . . . . . . . 6337 1 1212 . 1 1 98 98 LEU HG H 1 1.595 0.03 . 1 . . . . . . . . 6337 1 1213 . 1 1 98 98 LEU CD1 C 13 24.746 0.3 . 1 . . . . . . . . 6337 1 1214 . 1 1 98 98 LEU HD11 H 1 0.916 0.03 . 2 . . . . . . . . 6337 1 1215 . 1 1 98 98 LEU HD12 H 1 0.916 0.03 . 2 . . . . . . . . 6337 1 1216 . 1 1 98 98 LEU HD13 H 1 0.916 0.03 . 2 . . . . . . . . 6337 1 1217 . 1 1 98 98 LEU CD2 C 13 23.549 0.3 . 1 . . . . . . . . 6337 1 1218 . 1 1 98 98 LEU HD21 H 1 0.908 0.03 . 2 . . . . . . . . 6337 1 1219 . 1 1 98 98 LEU HD22 H 1 0.908 0.03 . 2 . . . . . . . . 6337 1 1220 . 1 1 98 98 LEU HD23 H 1 0.908 0.03 . 2 . . . . . . . . 6337 1 1221 . 1 1 98 98 LEU C C 13 177.189 0.3 . 1 . . . . . . . . 6337 1 1222 . 1 1 99 99 HIS N N 15 120.764 0.3 . 1 . . . . . . . . 6337 1 1223 . 1 1 99 99 HIS H H 1 8.516 0.03 . 1 . . . . . . . . 6337 1 1224 . 1 1 99 99 HIS CA C 13 56.558 0.3 . 1 . . . . . . . . 6337 1 1225 . 1 1 99 99 HIS HA H 1 4.686 0.03 . 1 . . . . . . . . 6337 1 1226 . 1 1 99 99 HIS CB C 13 30.606 0.3 . 1 . . . . . . . . 6337 1 1227 . 1 1 99 99 HIS HB3 H 1 3.152 0.03 . 2 . . . . . . . . 6337 1 1228 . 1 1 99 99 HIS HB2 H 1 3.269 0.03 . 2 . . . . . . . . 6337 1 1229 . 1 1 99 99 HIS C C 13 175.594 0.3 . 1 . . . . . . . . 6337 1 1230 . 1 1 100 100 GLY N N 15 110.707 0.3 . 1 . . . . . . . . 6337 1 1231 . 1 1 100 100 GLY H H 1 8.351 0.03 . 1 . . . . . . . . 6337 1 1232 . 1 1 100 100 GLY CA C 13 45.599 0.3 . 1 . . . . . . . . 6337 1 1233 . 1 1 100 100 GLY HA3 H 1 3.957 0.03 . 1 . . . . . . . . 6337 1 1234 . 1 1 100 100 GLY HA2 H 1 3.957 0.03 . 1 . . . . . . . . 6337 1 1235 . 1 1 100 100 GLY C C 13 173.647 0.3 . 1 . . . . . . . . 6337 1 1236 . 1 1 101 101 GLY N N 15 115.296 0.3 . 1 . . . . . . . . 6337 1 1237 . 1 1 101 101 GLY H H 1 7.924 0.03 . 1 . . . . . . . . 6337 1 1238 . 1 1 101 101 GLY CA C 13 46.170 0.3 . 1 . . . . . . . . 6337 1 1239 . 1 1 101 101 GLY HA3 H 1 3.779 0.03 . 1 . . . . . . . . 6337 1 1240 . 1 1 101 101 GLY HA2 H 1 3.779 0.03 . 1 . . . . . . . . 6337 1 stop_ save_