data_19625 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19625 _Entry.Title ; TNPX ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-20 _Entry.Accession_date 2013-11-20 _Entry.Last_release_date 2014-11-24 _Entry.Original_release_date 2014-11-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 S. Headey . J. . 19625 2 A. Sivakumaran . . . 19625 3 V. Adams . . . 19625 4 A. Rodgers . J.W. . 19625 5 J. Rood . I. . 19625 6 M. Scanlon . J. . 19625 7 M. Wilce . C.J. . 19625 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19625 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RECOMBINATION . 19625 'SERINE RESOLVASE' . 19625 TNPX . 19625 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19625 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 19625 '15N chemical shifts' 130 19625 '1H chemical shifts' 824 19625 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 . . 2014-11-24 2013-11-20 original author . 19625 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MHC 'BMRB Entry Tracking System' 19625 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19625 _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 and DNA Binding of the Catalytic of the Large Serine Resolvase Tnpx' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _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 S. Headey . J. . 19625 1 2 A. Sivakumaran . . . 19625 1 3 V. Adams . . . 19625 1 4 A. Rodgers . J.W. . 19625 1 5 J. Scanlon . I . 19625 1 6 M. Wilce . C.J. . 19625 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19625 _Assembly.ID 1 _Assembly.Name TNPX _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TNPX 1 $TNPX A . yes native no no . . . 19625 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TNPX _Entity.Sf_category entity _Entity.Sf_framecode TNPX _Entity.Entry_ID 19625 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TNPX _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSRTSRITALYERLSRDDDL TGESNSITNQKKYLEDYARR NGFENIRHFTDDGFSGVNFN RPGFQSLIKEVEAGNVETLI VKDMSRLGRNYLQVGFYTEV LFPQKNVRFLAINNSIDSNN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'RESIDUES 2-120' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13793.345 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MHC . "Nmr Structure Of The Catalytic Domain Of The Large Serine Resolvase Tnpx" . . . . . 100.00 120 100.00 100.00 8.24e-80 . . . . 19625 1 2 no EMBL CUP39613 . "Recombinase [Flavonifractor plautii]" . . . . . 99.17 707 100.00 100.00 5.33e-75 . . . . 19625 1 3 no EMBL CUQ38785 . "Site-specific recombinases%2C DNA invertase Pin homologs [Flavonifractor plautii]" . . . . . 99.17 707 100.00 100.00 5.33e-75 . . . . 19625 1 4 no GB AAB51419 . "TnpX [Clostridium perfringens]" . . . . . 99.17 707 100.00 100.00 5.01e-75 . . . . 19625 1 5 no GB EEA83356 . "TnpX site-specific recombinase [Tyzzerella nexilis DSM 1787]" . . . . . 99.17 707 100.00 100.00 5.01e-75 . . . . 19625 1 6 no GB EEF93031 . "TnpX site-specific recombinase [Catenibacterium mitsuokai DSM 15897]" . . . . . 99.17 707 97.48 99.16 2.31e-73 . . . . 19625 1 7 no GB ENZ31332 . "hypothetical protein HMPREF1097_05786 [ [[Clostridium] bolteae 90B8]" . . . . . 99.17 707 100.00 100.00 4.56e-75 . . . . 19625 1 8 no GB EQJ53319 . "resolvase, N terminal domain protein [Clostridium difficile P29]" . . . . . 99.17 707 100.00 100.00 4.56e-75 . . . . 19625 1 9 no REF WP_002570991 . "MULTISPECIES: hypothetical protein [Clostridiales]" . . . . . 99.17 707 100.00 100.00 4.56e-75 . . . . 19625 1 10 no REF WP_004611674 . "recombinase [Tyzzerella nexilis]" . . . . . 99.17 707 100.00 100.00 5.01e-75 . . . . 19625 1 11 no REF WP_006506523 . "recombinase [Catenibacterium mitsuokai]" . . . . . 99.17 707 97.48 99.16 2.31e-73 . . . . 19625 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 1 GLY . 19625 1 2 2 SER . 19625 1 3 3 ARG . 19625 1 4 4 THR . 19625 1 5 5 SER . 19625 1 6 6 ARG . 19625 1 7 7 ILE . 19625 1 8 8 THR . 19625 1 9 9 ALA . 19625 1 10 10 LEU . 19625 1 11 11 TYR . 19625 1 12 12 GLU . 19625 1 13 13 ARG . 19625 1 14 14 LEU . 19625 1 15 15 SER . 19625 1 16 16 ARG . 19625 1 17 17 ASP . 19625 1 18 18 ASP . 19625 1 19 19 ASP . 19625 1 20 20 LEU . 19625 1 21 21 THR . 19625 1 22 22 GLY . 19625 1 23 23 GLU . 19625 1 24 24 SER . 19625 1 25 25 ASN . 19625 1 26 26 SER . 19625 1 27 27 ILE . 19625 1 28 28 THR . 19625 1 29 29 ASN . 19625 1 30 30 GLN . 19625 1 31 31 LYS . 19625 1 32 32 LYS . 19625 1 33 33 TYR . 19625 1 34 34 LEU . 19625 1 35 35 GLU . 19625 1 36 36 ASP . 19625 1 37 37 TYR . 19625 1 38 38 ALA . 19625 1 39 39 ARG . 19625 1 40 40 ARG . 19625 1 41 41 ASN . 19625 1 42 42 GLY . 19625 1 43 43 PHE . 19625 1 44 44 GLU . 19625 1 45 45 ASN . 19625 1 46 46 ILE . 19625 1 47 47 ARG . 19625 1 48 48 HIS . 19625 1 49 49 PHE . 19625 1 50 50 THR . 19625 1 51 51 ASP . 19625 1 52 52 ASP . 19625 1 53 53 GLY . 19625 1 54 54 PHE . 19625 1 55 55 SER . 19625 1 56 56 GLY . 19625 1 57 57 VAL . 19625 1 58 58 ASN . 19625 1 59 59 PHE . 19625 1 60 60 ASN . 19625 1 61 61 ARG . 19625 1 62 62 PRO . 19625 1 63 63 GLY . 19625 1 64 64 PHE . 19625 1 65 65 GLN . 19625 1 66 66 SER . 19625 1 67 67 LEU . 19625 1 68 68 ILE . 19625 1 69 69 LYS . 19625 1 70 70 GLU . 19625 1 71 71 VAL . 19625 1 72 72 GLU . 19625 1 73 73 ALA . 19625 1 74 74 GLY . 19625 1 75 75 ASN . 19625 1 76 76 VAL . 19625 1 77 77 GLU . 19625 1 78 78 THR . 19625 1 79 79 LEU . 19625 1 80 80 ILE . 19625 1 81 81 VAL . 19625 1 82 82 LYS . 19625 1 83 83 ASP . 19625 1 84 84 MET . 19625 1 85 85 SER . 19625 1 86 86 ARG . 19625 1 87 87 LEU . 19625 1 88 88 GLY . 19625 1 89 89 ARG . 19625 1 90 90 ASN . 19625 1 91 91 TYR . 19625 1 92 92 LEU . 19625 1 93 93 GLN . 19625 1 94 94 VAL . 19625 1 95 95 GLY . 19625 1 96 96 PHE . 19625 1 97 97 TYR . 19625 1 98 98 THR . 19625 1 99 99 GLU . 19625 1 100 100 VAL . 19625 1 101 101 LEU . 19625 1 102 102 PHE . 19625 1 103 103 PRO . 19625 1 104 104 GLN . 19625 1 105 105 LYS . 19625 1 106 106 ASN . 19625 1 107 107 VAL . 19625 1 108 108 ARG . 19625 1 109 109 PHE . 19625 1 110 110 LEU . 19625 1 111 111 ALA . 19625 1 112 112 ILE . 19625 1 113 113 ASN . 19625 1 114 114 ASN . 19625 1 115 115 SER . 19625 1 116 116 ILE . 19625 1 117 117 ASP . 19625 1 118 118 SER . 19625 1 119 119 ASN . 19625 1 120 120 ASN . 19625 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19625 1 . SER 2 2 19625 1 . ARG 3 3 19625 1 . THR 4 4 19625 1 . SER 5 5 19625 1 . ARG 6 6 19625 1 . ILE 7 7 19625 1 . THR 8 8 19625 1 . ALA 9 9 19625 1 . LEU 10 10 19625 1 . TYR 11 11 19625 1 . GLU 12 12 19625 1 . ARG 13 13 19625 1 . LEU 14 14 19625 1 . SER 15 15 19625 1 . ARG 16 16 19625 1 . ASP 17 17 19625 1 . ASP 18 18 19625 1 . ASP 19 19 19625 1 . LEU 20 20 19625 1 . THR 21 21 19625 1 . GLY 22 22 19625 1 . GLU 23 23 19625 1 . SER 24 24 19625 1 . ASN 25 25 19625 1 . SER 26 26 19625 1 . ILE 27 27 19625 1 . THR 28 28 19625 1 . ASN 29 29 19625 1 . GLN 30 30 19625 1 . LYS 31 31 19625 1 . LYS 32 32 19625 1 . TYR 33 33 19625 1 . LEU 34 34 19625 1 . GLU 35 35 19625 1 . ASP 36 36 19625 1 . TYR 37 37 19625 1 . ALA 38 38 19625 1 . ARG 39 39 19625 1 . ARG 40 40 19625 1 . ASN 41 41 19625 1 . GLY 42 42 19625 1 . PHE 43 43 19625 1 . GLU 44 44 19625 1 . ASN 45 45 19625 1 . ILE 46 46 19625 1 . ARG 47 47 19625 1 . HIS 48 48 19625 1 . PHE 49 49 19625 1 . THR 50 50 19625 1 . ASP 51 51 19625 1 . ASP 52 52 19625 1 . GLY 53 53 19625 1 . PHE 54 54 19625 1 . SER 55 55 19625 1 . GLY 56 56 19625 1 . VAL 57 57 19625 1 . ASN 58 58 19625 1 . PHE 59 59 19625 1 . ASN 60 60 19625 1 . ARG 61 61 19625 1 . PRO 62 62 19625 1 . GLY 63 63 19625 1 . PHE 64 64 19625 1 . GLN 65 65 19625 1 . SER 66 66 19625 1 . LEU 67 67 19625 1 . ILE 68 68 19625 1 . LYS 69 69 19625 1 . GLU 70 70 19625 1 . VAL 71 71 19625 1 . GLU 72 72 19625 1 . ALA 73 73 19625 1 . GLY 74 74 19625 1 . ASN 75 75 19625 1 . VAL 76 76 19625 1 . GLU 77 77 19625 1 . THR 78 78 19625 1 . LEU 79 79 19625 1 . ILE 80 80 19625 1 . VAL 81 81 19625 1 . LYS 82 82 19625 1 . ASP 83 83 19625 1 . MET 84 84 19625 1 . SER 85 85 19625 1 . ARG 86 86 19625 1 . LEU 87 87 19625 1 . GLY 88 88 19625 1 . ARG 89 89 19625 1 . ASN 90 90 19625 1 . TYR 91 91 19625 1 . LEU 92 92 19625 1 . GLN 93 93 19625 1 . VAL 94 94 19625 1 . GLY 95 95 19625 1 . PHE 96 96 19625 1 . TYR 97 97 19625 1 . THR 98 98 19625 1 . GLU 99 99 19625 1 . VAL 100 100 19625 1 . LEU 101 101 19625 1 . PHE 102 102 19625 1 . PRO 103 103 19625 1 . GLN 104 104 19625 1 . LYS 105 105 19625 1 . ASN 106 106 19625 1 . VAL 107 107 19625 1 . ARG 108 108 19625 1 . PHE 109 109 19625 1 . LEU 110 110 19625 1 . ALA 111 111 19625 1 . ILE 112 112 19625 1 . ASN 113 113 19625 1 . ASN 114 114 19625 1 . SER 115 115 19625 1 . ILE 116 116 19625 1 . ASP 117 117 19625 1 . SER 118 118 19625 1 . ASN 119 119 19625 1 . ASN 120 120 19625 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 19625 _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 $TNPX . 1502 organism . 'CLOSTRIDIUM PERFRINGENS' firmicutes . . Bacteria . CLOSTRIDIUM PERFRINGENS . . . . . . . . . . . . . . . . TN4451 . . . . 19625 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 19625 _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 $TNPX . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI BL21(DE3) C43 . . . . . . . . . . . VECTOR . . PGEX4T2 . . . . . . 19625 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19625 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4MM [U-98% 13C' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TNPX '[U-99% 13C; U-99% 15N]' . . 1 $TNPX . . 0.4 . . mM . . . . 19625 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19625 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19625 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19625 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19625 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19625 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 19625 1 pH 7.0 . pH 19625 1 pressure 1 . atm 19625 1 temperature 298 . K 19625 1 stop_ save_ ############################ # Computer software used # ############################ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 19625 _Software.ID 1 _Software.Name CNSSOLVE _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'BRUNGER, ADAMS, CLORE, GROS, NILGES' . . 19625 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19625 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19625 _Software.ID 2 _Software.Name XEASY _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19625 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19625 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19625 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19625 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19625 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19625 _Software.ID 4 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19625 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19625 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19625 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19625 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 VARIAN INOVA . 600 . 1 $citations 19625 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 19625 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 3 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 5 '3D HN(CA)CO 3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 6 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 7 '3D (H)C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 8 '3D HC(C)H-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 9 '2D (HB)CB(CGCD)HD' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 10 '3D (H)CCH-TOCSY 2D (HB)CB(CGCDCE)HE' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 11 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 12 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 13 '2D 1H-1 NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 14 '2D 1H-15N NOE' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19625 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19625 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19625 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19625 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19625 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19625 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19625 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCACB' . . . 19625 1 6 '3D H(CCO)NH' . . . 19625 1 7 '3D (H)C(CO)NH' . . . 19625 1 11 '3D 1H-15N NOESY' . . . 19625 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.32 0.02 . 1 . . . A 2 SER HA . 19625 1 2 . 1 1 2 2 SER HB2 H 1 3.7 0.02 . 2 . . . A 2 SER HB2 . 19625 1 3 . 1 1 2 2 SER HB3 H 1 3.7 0.02 . 2 . . . A 2 SER HB3 . 19625 1 4 . 1 1 2 2 SER C C 13 174.4 0.2 . 1 . . . A 2 SER C . 19625 1 5 . 1 1 2 2 SER CA C 13 59.2 0.2 . 1 . . . A 2 SER CA . 19625 1 6 . 1 1 2 2 SER CB C 13 64.8 0.2 . 1 . . . A 2 SER CB . 19625 1 7 . 1 1 3 3 ARG H H 1 8.59 0.02 . 1 . . . A 3 ARG H . 19625 1 8 . 1 1 3 3 ARG HA H 1 4.23 0.02 . 1 . . . A 3 ARG HA . 19625 1 9 . 1 1 3 3 ARG HB2 H 1 1.63 0.02 . 2 . . . A 3 ARG HB2 . 19625 1 10 . 1 1 3 3 ARG HB3 H 1 1.72 0.02 . 2 . . . A 3 ARG HB3 . 19625 1 11 . 1 1 3 3 ARG HG2 H 1 1.48 0.02 . 2 . . . A 3 ARG HG2 . 19625 1 12 . 1 1 3 3 ARG HG3 H 1 1.48 0.02 . 2 . . . A 3 ARG HG3 . 19625 1 13 . 1 1 3 3 ARG HD2 H 1 3.04 0.02 . 2 . . . A 3 ARG HD2 . 19625 1 14 . 1 1 3 3 ARG HD3 H 1 3.04 0.02 . 2 . . . A 3 ARG HD3 . 19625 1 15 . 1 1 3 3 ARG C C 13 176.32 0.2 . 1 . . . A 3 ARG C . 19625 1 16 . 1 1 3 3 ARG CA C 13 57.3 0.2 . 1 . . . A 3 ARG CA . 19625 1 17 . 1 1 3 3 ARG CB C 13 31.6 0.2 . 1 . . . A 3 ARG CB . 19625 1 18 . 1 1 3 3 ARG CG C 13 27.82 0.2 . 1 . . . A 3 ARG CG . 19625 1 19 . 1 1 3 3 ARG CD C 13 44.13 0.2 . 1 . . . A 3 ARG CD . 19625 1 20 . 1 1 3 3 ARG N N 15 123.22 0.15 . 1 . . . A 3 ARG N . 19625 1 21 . 1 1 4 4 THR H H 1 8.09 0.02 . 1 . . . A 4 THR H . 19625 1 22 . 1 1 4 4 THR HA H 1 4.27 0.02 . 1 . . . A 4 THR HA . 19625 1 23 . 1 1 4 4 THR HB H 1 4.1 0.02 . 1 . . . A 4 THR HB . 19625 1 24 . 1 1 4 4 THR HG21 H 1 1 0.02 . 2 . . . A 4 THR HG21 . 19625 1 25 . 1 1 4 4 THR HG22 H 1 1 0.02 . 2 . . . A 4 THR HG22 . 19625 1 26 . 1 1 4 4 THR HG23 H 1 1 0.02 . 2 . . . A 4 THR HG23 . 19625 1 27 . 1 1 4 4 THR C C 13 173.88 0.2 . 1 . . . A 4 THR C . 19625 1 28 . 1 1 4 4 THR CA C 13 62.2 0.2 . 1 . . . A 4 THR CA . 19625 1 29 . 1 1 4 4 THR CB C 13 70.7 0.2 . 1 . . . A 4 THR CB . 19625 1 30 . 1 1 4 4 THR CG2 C 13 22.15 0.2 . 1 . . . A 4 THR CG2 . 19625 1 31 . 1 1 4 4 THR N N 15 114.54 0.15 . 1 . . . A 4 THR N . 19625 1 32 . 1 1 5 5 SER H H 1 8.1 0.02 . 1 . . . A 5 SER H . 19625 1 33 . 1 1 5 5 SER HA H 1 4.32 0.02 . 1 . . . A 5 SER HA . 19625 1 34 . 1 1 5 5 SER HB2 H 1 3.69 0.02 . 2 . . . A 5 SER HB2 . 19625 1 35 . 1 1 5 5 SER HB3 H 1 3.69 0.02 . 2 . . . A 5 SER HB3 . 19625 1 36 . 1 1 5 5 SER C C 13 174.02 0.2 . 1 . . . A 5 SER C . 19625 1 37 . 1 1 5 5 SER CA C 13 58.9 0.2 . 1 . . . A 5 SER CA . 19625 1 38 . 1 1 5 5 SER CB C 13 64.7 0.2 . 1 . . . A 5 SER CB . 19625 1 39 . 1 1 5 5 SER N N 15 117.41 0.15 . 1 . . . A 5 SER N . 19625 1 40 . 1 1 6 6 ARG H H 1 8.1 0.02 . 1 . . . A 6 ARG H . 19625 1 41 . 1 1 6 6 ARG HA H 1 4.29 0.02 . 1 . . . A 6 ARG HA . 19625 1 42 . 1 1 6 6 ARG HB2 H 1 1.57 0.02 . 2 . . . A 6 ARG HB2 . 19625 1 43 . 1 1 6 6 ARG HB3 H 1 1.57 0.02 . 2 . . . A 6 ARG HB3 . 19625 1 44 . 1 1 6 6 ARG HG2 H 1 1.39 0.02 . 2 . . . A 6 ARG HG2 . 19625 1 45 . 1 1 6 6 ARG HG3 H 1 1.65 0.02 . 2 . . . A 6 ARG HG3 . 19625 1 46 . 1 1 6 6 ARG HD2 H 1 3 0.02 . 2 . . . A 6 ARG HD2 . 19625 1 47 . 1 1 6 6 ARG HD3 H 1 3 0.02 . 2 . . . A 6 ARG HD3 . 19625 1 48 . 1 1 6 6 ARG HE H 1 8.21 0.02 . 1 . . . A 6 ARG HE . 19625 1 49 . 1 1 6 6 ARG C C 13 176.85 0.2 . 1 . . . A 6 ARG C . 19625 1 50 . 1 1 6 6 ARG CA C 13 57.4 0.2 . 1 . . . A 6 ARG CA . 19625 1 51 . 1 1 6 6 ARG CB C 13 33.4 0.2 . 1 . . . A 6 ARG CB . 19625 1 52 . 1 1 6 6 ARG CG C 13 28.92 0.2 . 1 . . . A 6 ARG CG . 19625 1 53 . 1 1 6 6 ARG CD C 13 44.96 0.2 . 1 . . . A 6 ARG CD . 19625 1 54 . 1 1 6 6 ARG N N 15 122.33 0.15 . 1 . . . A 6 ARG N . 19625 1 55 . 1 1 6 6 ARG NE N 15 98.36 0.15 . 1 . . . A 6 ARG NE . 19625 1 56 . 1 1 7 7 ILE H H 1 8.55 0.02 . 1 . . . A 7 ILE H . 19625 1 57 . 1 1 7 7 ILE HA H 1 4.57 0.02 . 1 . . . A 7 ILE HA . 19625 1 58 . 1 1 7 7 ILE HB H 1 1.91 0.02 . 2 . . . A 7 ILE HB . 19625 1 59 . 1 1 7 7 ILE HG12 H 1 1.29 0.02 . 1 . . . A 7 ILE HG12 . 19625 1 60 . 1 1 7 7 ILE HG21 H 1 0.79 0.02 . 2 . . . A 7 ILE HG21 . 19625 1 61 . 1 1 7 7 ILE HG22 H 1 0.79 0.02 . 2 . . . A 7 ILE HG22 . 19625 1 62 . 1 1 7 7 ILE HG23 H 1 0.79 0.02 . 2 . . . A 7 ILE HG23 . 19625 1 63 . 1 1 7 7 ILE HD11 H 1 0.79 0.02 . 2 . . . A 7 ILE HD11 . 19625 1 64 . 1 1 7 7 ILE HD12 H 1 0.79 0.02 . 2 . . . A 7 ILE HD12 . 19625 1 65 . 1 1 7 7 ILE HD13 H 1 0.79 0.02 . 2 . . . A 7 ILE HD13 . 19625 1 66 . 1 1 7 7 ILE C C 13 177.06 0.2 . 1 . . . A 7 ILE C . 19625 1 67 . 1 1 7 7 ILE CA C 13 62.23 0.2 . 1 . . . A 7 ILE CA . 19625 1 68 . 1 1 7 7 ILE CB C 13 42.18 0.2 . 1 . . . A 7 ILE CB . 19625 1 69 . 1 1 7 7 ILE CG1 C 13 27.7 0.2 . 1 . . . A 7 ILE CG1 . 19625 1 70 . 1 1 7 7 ILE CG2 C 13 18.16 0.2 . 2 . . . A 7 ILE CG2 . 19625 1 71 . 1 1 7 7 ILE CD1 C 13 15.62 0.2 . 2 . . . A 7 ILE CD1 . 19625 1 72 . 1 1 7 7 ILE N N 15 115.27 0.15 . 1 . . . A 7 ILE N . 19625 1 73 . 1 1 8 8 THR H H 1 8.03 0.02 . 1 . . . A 8 THR H . 19625 1 74 . 1 1 8 8 THR HA H 1 4.42 0.02 . 1 . . . A 8 THR HA . 19625 1 75 . 1 1 8 8 THR HB H 1 3.6 0.02 . 1 . . . A 8 THR HB . 19625 1 76 . 1 1 8 8 THR HG21 H 1 0.51 0.02 . 2 . . . A 8 THR HG21 . 19625 1 77 . 1 1 8 8 THR HG22 H 1 0.51 0.02 . 2 . . . A 8 THR HG22 . 19625 1 78 . 1 1 8 8 THR HG23 H 1 0.51 0.02 . 2 . . . A 8 THR HG23 . 19625 1 79 . 1 1 8 8 THR C C 13 172.53 0.2 . 1 . . . A 8 THR C . 19625 1 80 . 1 1 8 8 THR CA C 13 63.1 0.2 . 1 . . . A 8 THR CA . 19625 1 81 . 1 1 8 8 THR CB C 13 69 0.2 . 1 . . . A 8 THR CB . 19625 1 82 . 1 1 8 8 THR CG2 C 13 21.94 0.2 . 1 . . . A 8 THR CG2 . 19625 1 83 . 1 1 8 8 THR N N 15 120.84 0.15 . 1 . . . A 8 THR N . 19625 1 84 . 1 1 9 9 ALA H H 1 9.21 0.02 . 1 . . . A 9 ALA H . 19625 1 85 . 1 1 9 9 ALA HA H 1 4.78 0.02 . 1 . . . A 9 ALA HA . 19625 1 86 . 1 1 9 9 ALA HB1 H 1 0.99 0.02 . 2 . . . A 9 ALA HB1 . 19625 1 87 . 1 1 9 9 ALA HB2 H 1 0.99 0.02 . 2 . . . A 9 ALA HB2 . 19625 1 88 . 1 1 9 9 ALA HB3 H 1 0.99 0.02 . 2 . . . A 9 ALA HB3 . 19625 1 89 . 1 1 9 9 ALA C C 13 173.98 0.2 . 1 . . . A 9 ALA C . 19625 1 90 . 1 1 9 9 ALA CA C 13 51.3 0.2 . 1 . . . A 9 ALA CA . 19625 1 91 . 1 1 9 9 ALA CB C 13 23.4 0.2 . 1 . . . A 9 ALA CB . 19625 1 92 . 1 1 9 9 ALA N N 15 129.2 0.15 . 1 . . . A 9 ALA N . 19625 1 93 . 1 1 10 10 LEU H H 1 8.72 0.02 . 1 . . . A 10 LEU H . 19625 1 94 . 1 1 10 10 LEU HA H 1 4.83 0.02 . 1 . . . A 10 LEU HA . 19625 1 95 . 1 1 10 10 LEU HB2 H 1 1.25 0.02 . 2 . . . A 10 LEU HB2 . 19625 1 96 . 1 1 10 10 LEU HB3 H 1 1.43 0.02 . 2 . . . A 10 LEU HB3 . 19625 1 97 . 1 1 10 10 LEU HG H 1 1.23 0.02 . 1 . . . A 10 LEU HG . 19625 1 98 . 1 1 10 10 LEU HD11 H 1 0.13 0.02 . 2 . . . A 10 LEU HD11 . 19625 1 99 . 1 1 10 10 LEU HD12 H 1 0.13 0.02 . 2 . . . A 10 LEU HD12 . 19625 1 100 . 1 1 10 10 LEU HD13 H 1 0.13 0.02 . 2 . . . A 10 LEU HD13 . 19625 1 101 . 1 1 10 10 LEU HD21 H 1 0.4 0.02 . 2 . . . A 10 LEU HD21 . 19625 1 102 . 1 1 10 10 LEU HD22 H 1 0.4 0.02 . 2 . . . A 10 LEU HD22 . 19625 1 103 . 1 1 10 10 LEU HD23 H 1 0.4 0.02 . 2 . . . A 10 LEU HD23 . 19625 1 104 . 1 1 10 10 LEU C C 13 174.4 0.2 . 1 . . . A 10 LEU C . 19625 1 105 . 1 1 10 10 LEU CA C 13 53.8 0.2 . 1 . . . A 10 LEU CA . 19625 1 106 . 1 1 10 10 LEU CB C 13 41.5 0.2 . 1 . . . A 10 LEU CB . 19625 1 107 . 1 1 10 10 LEU CG C 13 28.18 0.2 . 1 . . . A 10 LEU CG . 19625 1 108 . 1 1 10 10 LEU CD1 C 13 26.7 0.2 . 2 . . . A 10 LEU CD1 . 19625 1 109 . 1 1 10 10 LEU CD2 C 13 26.05 0.2 . 2 . . . A 10 LEU CD2 . 19625 1 110 . 1 1 10 10 LEU N N 15 124.83 0.15 . 1 . . . A 10 LEU N . 19625 1 111 . 1 1 11 11 TYR H H 1 8 0.02 . 1 . . . A 11 TYR H . 19625 1 112 . 1 1 11 11 TYR HA H 1 5.83 0.02 . 1 . . . A 11 TYR HA . 19625 1 113 . 1 1 11 11 TYR HB2 H 1 2.39 0.02 . 2 . . . A 11 TYR HB2 . 19625 1 114 . 1 1 11 11 TYR HB3 H 1 2.68 0.02 . 2 . . . A 11 TYR HB3 . 19625 1 115 . 1 1 11 11 TYR C C 13 174.12 0.2 . 1 . . . A 11 TYR C . 19625 1 116 . 1 1 11 11 TYR CA C 13 57.1 0.2 . 1 . . . A 11 TYR CA . 19625 1 117 . 1 1 11 11 TYR CB C 13 41.5 0.2 . 1 . . . A 11 TYR CB . 19625 1 118 . 1 1 11 11 TYR N N 15 122.47 0.15 . 1 . . . A 11 TYR N . 19625 1 119 . 1 1 12 12 GLU H H 1 7.87 0.02 . 1 . . . A 12 GLU H . 19625 1 120 . 1 1 12 12 GLU HA H 1 4.2 0.02 . 1 . . . A 12 GLU HA . 19625 1 121 . 1 1 12 12 GLU HB2 H 1 1.84 0.02 . 2 . . . A 12 GLU HB2 . 19625 1 122 . 1 1 12 12 GLU HB3 H 1 1.84 0.02 . 2 . . . A 12 GLU HB3 . 19625 1 123 . 1 1 12 12 GLU HG2 H 1 1.84 0.02 . 2 . . . A 12 GLU HG2 . 19625 1 124 . 1 1 12 12 GLU HG3 H 1 1.84 0.02 . 2 . . . A 12 GLU HG3 . 19625 1 125 . 1 1 12 12 GLU C C 13 172.72 0.2 . 1 . . . A 12 GLU C . 19625 1 126 . 1 1 12 12 GLU CA C 13 55.7 0.2 . 1 . . . A 12 GLU CA . 19625 1 127 . 1 1 12 12 GLU CB C 13 30.4 0.2 . 1 . . . A 12 GLU CB . 19625 1 128 . 1 1 12 12 GLU CG C 13 34.03 0.2 . 1 . . . A 12 GLU CG . 19625 1 129 . 1 1 12 12 GLU N N 15 121.36 0.15 . 1 . . . A 12 GLU N . 19625 1 130 . 1 1 13 13 ARG H H 1 7.29 0.02 . 1 . . . A 13 ARG H . 19625 1 131 . 1 1 13 13 ARG HA H 1 4.87 0.02 . 1 . . . A 13 ARG HA . 19625 1 132 . 1 1 13 13 ARG HB2 H 1 1.48 0.02 . 2 . . . A 13 ARG HB2 . 19625 1 133 . 1 1 13 13 ARG HB3 H 1 1.89 0.02 . 2 . . . A 13 ARG HB3 . 19625 1 134 . 1 1 13 13 ARG HG2 H 1 1.83 0.02 . 2 . . . A 13 ARG HG2 . 19625 1 135 . 1 1 13 13 ARG HG3 H 1 1.92 0.02 . 2 . . . A 13 ARG HG3 . 19625 1 136 . 1 1 13 13 ARG HD2 H 1 3.15 0.02 . 2 . . . A 13 ARG HD2 . 19625 1 137 . 1 1 13 13 ARG HD3 H 1 3.15 0.02 . 2 . . . A 13 ARG HD3 . 19625 1 138 . 1 1 13 13 ARG HE H 1 6.82 0.02 . 1 . . . A 13 ARG HE . 19625 1 139 . 1 1 13 13 ARG HH11 H 1 7.09 0.02 . 2 . . . A 13 ARG HH11 . 19625 1 140 . 1 1 13 13 ARG HH12 H 1 6.62 0.02 . 2 . . . A 13 ARG HH12 . 19625 1 141 . 1 1 13 13 ARG C C 13 174.68 0.2 . 1 . . . A 13 ARG C . 19625 1 142 . 1 1 13 13 ARG CA C 13 55.8 0.2 . 1 . . . A 13 ARG CA . 19625 1 143 . 1 1 13 13 ARG CB C 13 35.36 0.2 . 1 . . . A 13 ARG CB . 19625 1 144 . 1 1 13 13 ARG CG C 13 27.13 0.2 . 1 . . . A 13 ARG CG . 19625 1 145 . 1 1 13 13 ARG CD C 13 42.43 0.2 . 1 . . . A 13 ARG CD . 19625 1 146 . 1 1 13 13 ARG N N 15 118.18 0.15 . 1 . . . A 13 ARG N . 19625 1 147 . 1 1 13 13 ARG NE N 15 77.39 0.15 . 1 . . . A 13 ARG NE . 19625 1 148 . 1 1 13 13 ARG NH1 N 15 86.91 0.15 . 2 . . . A 13 ARG NH1 . 19625 1 149 . 1 1 14 14 LEU H H 1 8.01 0.02 . 1 . . . A 14 LEU H . 19625 1 150 . 1 1 14 14 LEU HA H 1 4.39 0.02 . 1 . . . A 14 LEU HA . 19625 1 151 . 1 1 14 14 LEU HB2 H 1 1.16 0.02 . 2 . . . A 14 LEU HB2 . 19625 1 152 . 1 1 14 14 LEU HB3 H 1 1.64 0.02 . 2 . . . A 14 LEU HB3 . 19625 1 153 . 1 1 14 14 LEU HG H 1 0.73 0.02 . 1 . . . A 14 LEU HG . 19625 1 154 . 1 1 14 14 LEU HD11 H 1 0.87 0.02 . 2 . . . A 14 LEU HD11 . 19625 1 155 . 1 1 14 14 LEU HD12 H 1 0.87 0.02 . 2 . . . A 14 LEU HD12 . 19625 1 156 . 1 1 14 14 LEU HD13 H 1 0.87 0.02 . 2 . . . A 14 LEU HD13 . 19625 1 157 . 1 1 14 14 LEU HD21 H 1 0.87 0.02 . 2 . . . A 14 LEU HD21 . 19625 1 158 . 1 1 14 14 LEU HD22 H 1 0.87 0.02 . 2 . . . A 14 LEU HD22 . 19625 1 159 . 1 1 14 14 LEU HD23 H 1 0.87 0.02 . 2 . . . A 14 LEU HD23 . 19625 1 160 . 1 1 14 14 LEU C C 13 172.93 0.2 . 1 . . . A 14 LEU C . 19625 1 161 . 1 1 14 14 LEU CA C 13 56.4 0.2 . 1 . . . A 14 LEU CA . 19625 1 162 . 1 1 14 14 LEU CB C 13 47.8 0.2 . 1 . . . A 14 LEU CB . 19625 1 163 . 1 1 14 14 LEU CG C 13 26.57 0.2 . 1 . . . A 14 LEU CG . 19625 1 164 . 1 1 14 14 LEU CD1 C 13 24.11 0.2 . 2 . . . A 14 LEU CD1 . 19625 1 165 . 1 1 14 14 LEU CD2 C 13 24.27 0.2 . 2 . . . A 14 LEU CD2 . 19625 1 166 . 1 1 14 14 LEU N N 15 131.07 0.15 . 1 . . . A 14 LEU N . 19625 1 167 . 1 1 15 15 SER H H 1 8.58 0.02 . 1 . . . A 15 SER H . 19625 1 168 . 1 1 15 15 SER HA H 1 4.52 0.02 . 1 . . . A 15 SER HA . 19625 1 169 . 1 1 15 15 SER HB2 H 1 3.87 0.02 . 2 . . . A 15 SER HB2 . 19625 1 170 . 1 1 15 15 SER HB3 H 1 3.87 0.02 . 2 . . . A 15 SER HB3 . 19625 1 171 . 1 1 15 15 SER C C 13 175.38 0.2 . 1 . . . A 15 SER C . 19625 1 172 . 1 1 15 15 SER CA C 13 58.3 0.2 . 1 . . . A 15 SER CA . 19625 1 173 . 1 1 15 15 SER CB C 13 65.3 0.2 . 1 . . . A 15 SER CB . 19625 1 174 . 1 1 15 15 SER N N 15 118.94 0.15 . 1 . . . A 15 SER N . 19625 1 175 . 1 1 16 16 ARG H H 1 8.98 0.02 . 1 . . . A 16 ARG H . 19625 1 176 . 1 1 16 16 ARG HA H 1 3.96 0.02 . 1 . . . A 16 ARG HA . 19625 1 177 . 1 1 16 16 ARG HB2 H 1 1.71 0.02 . 2 . . . A 16 ARG HB2 . 19625 1 178 . 1 1 16 16 ARG HB3 H 1 1.71 0.02 . 2 . . . A 16 ARG HB3 . 19625 1 179 . 1 1 16 16 ARG HG2 H 1 1.49 0.02 . 2 . . . A 16 ARG HG2 . 19625 1 180 . 1 1 16 16 ARG HG3 H 1 1.49 0.02 . 2 . . . A 16 ARG HG3 . 19625 1 181 . 1 1 16 16 ARG HD2 H 1 3.04 0.02 . 2 . . . A 16 ARG HD2 . 19625 1 182 . 1 1 16 16 ARG HD3 H 1 3.04 0.02 . 2 . . . A 16 ARG HD3 . 19625 1 183 . 1 1 16 16 ARG C C 13 177.41 0.2 . 1 . . . A 16 ARG C . 19625 1 184 . 1 1 16 16 ARG CA C 13 59.5 0.2 . 1 . . . A 16 ARG CA . 19625 1 185 . 1 1 16 16 ARG CB C 13 30.4 0.2 . 1 . . . A 16 ARG CB . 19625 1 186 . 1 1 16 16 ARG CG C 13 27.75 0.2 . 1 . . . A 16 ARG CG . 19625 1 187 . 1 1 16 16 ARG CD C 13 43.99 0.2 . 1 . . . A 16 ARG CD . 19625 1 188 . 1 1 16 16 ARG N N 15 123.19 0.15 . 1 . . . A 16 ARG N . 19625 1 189 . 1 1 17 17 ASP H H 1 8.16 0.02 . 1 . . . A 17 ASP H . 19625 1 190 . 1 1 17 17 ASP HA H 1 4.3 0.02 . 1 . . . A 17 ASP HA . 19625 1 191 . 1 1 17 17 ASP HB2 H 1 2.44 0.02 . 2 . . . A 17 ASP HB2 . 19625 1 192 . 1 1 17 17 ASP HB3 H 1 2.76 0.02 . 2 . . . A 17 ASP HB3 . 19625 1 193 . 1 1 17 17 ASP C C 13 176.09 0.2 . 1 . . . A 17 ASP C . 19625 1 194 . 1 1 17 17 ASP CA C 13 54.6 0.2 . 1 . . . A 17 ASP CA . 19625 1 195 . 1 1 17 17 ASP CB C 13 40.1 0.2 . 1 . . . A 17 ASP CB . 19625 1 196 . 1 1 17 17 ASP N N 15 115.11 0.15 . 1 . . . A 17 ASP N . 19625 1 197 . 1 1 18 18 ASP H H 1 7.24 0.02 . 1 . . . A 18 ASP H . 19625 1 198 . 1 1 18 18 ASP HA H 1 4.3 0.02 . 1 . . . A 18 ASP HA . 19625 1 199 . 1 1 18 18 ASP HB2 H 1 2.47 0.02 . 2 . . . A 18 ASP HB2 . 19625 1 200 . 1 1 18 18 ASP HB3 H 1 2.86 0.02 . 2 . . . A 18 ASP HB3 . 19625 1 201 . 1 1 18 18 ASP C C 13 175.75 0.2 . 1 . . . A 18 ASP C . 19625 1 202 . 1 1 18 18 ASP CA C 13 56.3 0.2 . 1 . . . A 18 ASP CA . 19625 1 203 . 1 1 18 18 ASP CB C 13 42.74 0.2 . 1 . . . A 18 ASP CB . 19625 1 204 . 1 1 18 18 ASP N N 15 119.39 0.15 . 1 . . . A 18 ASP N . 19625 1 205 . 1 1 19 19 ASP H H 1 8 0.02 . 1 . . . A 19 ASP H . 19625 1 206 . 1 1 19 19 ASP HA H 1 4.23 0.02 . 1 . . . A 19 ASP HA . 19625 1 207 . 1 1 19 19 ASP HB2 H 1 2.34 0.02 . 2 . . . A 19 ASP HB2 . 19625 1 208 . 1 1 19 19 ASP HB3 H 1 2.66 0.02 . 2 . . . A 19 ASP HB3 . 19625 1 209 . 1 1 19 19 ASP C C 13 175.3 0.2 . 1 . . . A 19 ASP C . 19625 1 210 . 1 1 19 19 ASP CA C 13 56.03 0.2 . 1 . . . A 19 ASP CA . 19625 1 211 . 1 1 19 19 ASP CB C 13 41.06 0.2 . 1 . . . A 19 ASP CB . 19625 1 212 . 1 1 19 19 ASP N N 15 117.85 0.15 . 1 . . . A 19 ASP N . 19625 1 213 . 1 1 20 20 LEU H H 1 7.96 0.02 . 1 . . . A 20 LEU H . 19625 1 214 . 1 1 20 20 LEU HA H 1 4.38 0.02 . 1 . . . A 20 LEU HA . 19625 1 215 . 1 1 20 20 LEU HB2 H 1 1.21 0.02 . 2 . . . A 20 LEU HB2 . 19625 1 216 . 1 1 20 20 LEU HB3 H 1 1.4 0.02 . 2 . . . A 20 LEU HB3 . 19625 1 217 . 1 1 20 20 LEU HG H 1 0.63 0.02 . 1 . . . A 20 LEU HG . 19625 1 218 . 1 1 20 20 LEU HD11 H 1 0.62 0.02 . 2 . . . A 20 LEU HD11 . 19625 1 219 . 1 1 20 20 LEU HD12 H 1 0.62 0.02 . 2 . . . A 20 LEU HD12 . 19625 1 220 . 1 1 20 20 LEU HD13 H 1 0.62 0.02 . 2 . . . A 20 LEU HD13 . 19625 1 221 . 1 1 20 20 LEU HD21 H 1 0.62 0.02 . 2 . . . A 20 LEU HD21 . 19625 1 222 . 1 1 20 20 LEU HD22 H 1 0.62 0.02 . 2 . . . A 20 LEU HD22 . 19625 1 223 . 1 1 20 20 LEU HD23 H 1 0.62 0.02 . 2 . . . A 20 LEU HD23 . 19625 1 224 . 1 1 20 20 LEU C C 13 176.83 0.2 . 1 . . . A 20 LEU C . 19625 1 225 . 1 1 20 20 LEU CA C 13 55.1 0.2 . 1 . . . A 20 LEU CA . 19625 1 226 . 1 1 20 20 LEU CB C 13 43.48 0.2 . 1 . . . A 20 LEU CB . 19625 1 227 . 1 1 20 20 LEU CG C 13 25.61 0.2 . 1 . . . A 20 LEU CG . 19625 1 228 . 1 1 20 20 LEU CD1 C 13 23.95 0.2 . 2 . . . A 20 LEU CD1 . 19625 1 229 . 1 1 20 20 LEU CD2 C 13 23.97 0.2 . 2 . . . A 20 LEU CD2 . 19625 1 230 . 1 1 20 20 LEU N N 15 120.23 0.15 . 1 . . . A 20 LEU N . 19625 1 231 . 1 1 21 21 THR H H 1 8.07 0.02 . 1 . . . A 21 THR H . 19625 1 232 . 1 1 21 21 THR HA H 1 4.29 0.02 . 1 . . . A 21 THR HA . 19625 1 233 . 1 1 21 21 THR HB H 1 4.05 0.02 . 1 . . . A 21 THR HB . 19625 1 234 . 1 1 21 21 THR HG21 H 1 0.96 0.02 . 2 . . . A 21 THR HG21 . 19625 1 235 . 1 1 21 21 THR HG22 H 1 0.96 0.02 . 2 . . . A 21 THR HG22 . 19625 1 236 . 1 1 21 21 THR HG23 H 1 0.96 0.02 . 2 . . . A 21 THR HG23 . 19625 1 237 . 1 1 21 21 THR C C 13 174.9 0.2 . 1 . . . A 21 THR C . 19625 1 238 . 1 1 21 21 THR CA C 13 61.97 0.2 . 1 . . . A 21 THR CA . 19625 1 239 . 1 1 21 21 THR CB C 13 71.2 0.2 . 1 . . . A 21 THR CB . 19625 1 240 . 1 1 21 21 THR CG2 C 13 22.22 0.2 . 1 . . . A 21 THR CG2 . 19625 1 241 . 1 1 21 21 THR N N 15 113.04 0.15 . 1 . . . A 21 THR N . 19625 1 242 . 1 1 22 22 GLY H H 1 8.23 0.02 . 1 . . . A 22 GLY H . 19625 1 243 . 1 1 22 22 GLY HA2 H 1 3.99 0.02 . 2 . . . A 22 GLY HA2 . 19625 1 244 . 1 1 22 22 GLY HA3 H 1 3.76 0.02 . 2 . . . A 22 GLY HA3 . 19625 1 245 . 1 1 22 22 GLY C C 13 175.11 0.2 . 1 . . . A 22 GLY C . 19625 1 246 . 1 1 22 22 GLY CA C 13 45.97 0.2 . 1 . . . A 22 GLY CA . 19625 1 247 . 1 1 22 22 GLY N N 15 110.1 0.15 . 1 . . . A 22 GLY N . 19625 1 248 . 1 1 23 23 GLU H H 1 8.55 0.02 . 1 . . . A 23 GLU H . 19625 1 249 . 1 1 23 23 GLU HA H 1 4 0.02 . 1 . . . A 23 GLU HA . 19625 1 250 . 1 1 23 23 GLU HB2 H 1 1.85 0.02 . 2 . . . A 23 GLU HB2 . 19625 1 251 . 1 1 23 23 GLU HB3 H 1 1.85 0.02 . 2 . . . A 23 GLU HB3 . 19625 1 252 . 1 1 23 23 GLU HG2 H 1 2.08 0.02 . 2 . . . A 23 GLU HG2 . 19625 1 253 . 1 1 23 23 GLU HG3 H 1 2.08 0.02 . 2 . . . A 23 GLU HG3 . 19625 1 254 . 1 1 23 23 GLU C C 13 178.2 0.2 . 1 . . . A 23 GLU C . 19625 1 255 . 1 1 23 23 GLU CA C 13 58.9 0.2 . 1 . . . A 23 GLU CA . 19625 1 256 . 1 1 23 23 GLU CB C 13 30.6 0.2 . 1 . . . A 23 GLU CB . 19625 1 257 . 1 1 23 23 GLU CG C 13 36.73 0.2 . 1 . . . A 23 GLU CG . 19625 1 258 . 1 1 23 23 GLU N N 15 121.94 0.15 . 1 . . . A 23 GLU N . 19625 1 259 . 1 1 24 24 SER H H 1 8.29 0.02 . 1 . . . A 24 SER H . 19625 1 260 . 1 1 24 24 SER HA H 1 3.99 0.02 . 1 . . . A 24 SER HA . 19625 1 261 . 1 1 24 24 SER HB2 H 1 3.67 0.02 . 2 . . . A 24 SER HB2 . 19625 1 262 . 1 1 24 24 SER HB3 H 1 3.67 0.02 . 2 . . . A 24 SER HB3 . 19625 1 263 . 1 1 24 24 SER C C 13 174 0.2 . 1 . . . A 24 SER C . 19625 1 264 . 1 1 24 24 SER CA C 13 61.61 0.2 . 1 . . . A 24 SER CA . 19625 1 265 . 1 1 24 24 SER CB C 13 63.6 0.2 . 1 . . . A 24 SER CB . 19625 1 266 . 1 1 24 24 SER N N 15 114.93 0.15 . 1 . . . A 24 SER N . 19625 1 267 . 1 1 25 25 ASN H H 1 7.62 0.02 . 1 . . . A 25 ASN H . 19625 1 268 . 1 1 25 25 ASN HA H 1 4.73 0.02 . 1 . . . A 25 ASN HA . 19625 1 269 . 1 1 25 25 ASN HB2 H 1 2.15 0.02 . 2 . . . A 25 ASN HB2 . 19625 1 270 . 1 1 25 25 ASN HB3 H 1 2.63 0.02 . 2 . . . A 25 ASN HB3 . 19625 1 271 . 1 1 25 25 ASN HD21 H 1 6.82 0.02 . 2 . . . A 25 ASN HD21 . 19625 1 272 . 1 1 25 25 ASN HD22 H 1 7.26 0.02 . 2 . . . A 25 ASN HD22 . 19625 1 273 . 1 1 25 25 ASN C C 13 174.38 0.2 . 1 . . . A 25 ASN C . 19625 1 274 . 1 1 25 25 ASN CA C 13 53.1 0.2 . 1 . . . A 25 ASN CA . 19625 1 275 . 1 1 25 25 ASN CB C 13 40.8 0.2 . 1 . . . A 25 ASN CB . 19625 1 276 . 1 1 25 25 ASN N N 15 117.82 0.15 . 1 . . . A 25 ASN N . 19625 1 277 . 1 1 25 25 ASN ND2 N 15 114.13 0.15 . 1 . . . A 25 ASN ND2 . 19625 1 278 . 1 1 26 26 SER H H 1 7.51 0.02 . 1 . . . A 26 SER H . 19625 1 279 . 1 1 26 26 SER HA H 1 4.14 0.02 . 1 . . . A 26 SER HA . 19625 1 280 . 1 1 26 26 SER HB2 H 1 3.87 0.02 . 2 . . . A 26 SER HB2 . 19625 1 281 . 1 1 26 26 SER HB3 H 1 4.02 0.02 . 2 . . . A 26 SER HB3 . 19625 1 282 . 1 1 26 26 SER C C 13 174.66 0.2 . 1 . . . A 26 SER C . 19625 1 283 . 1 1 26 26 SER CA C 13 58.5 0.2 . 1 . . . A 26 SER CA . 19625 1 284 . 1 1 26 26 SER CB C 13 65 0.2 . 1 . . . A 26 SER CB . 19625 1 285 . 1 1 26 26 SER N N 15 115.05 0.15 . 1 . . . A 26 SER N . 19625 1 286 . 1 1 27 27 ILE H H 1 8.96 0.02 . 1 . . . A 27 ILE H . 19625 1 287 . 1 1 27 27 ILE HA H 1 3.46 0.02 . 1 . . . A 27 ILE HA . 19625 1 288 . 1 1 27 27 ILE HB H 1 1.84 0.02 . 1 . . . A 27 ILE HB . 19625 1 289 . 1 1 27 27 ILE HG12 H 1 1.11 0.02 . 2 . . . A 27 ILE HG12 . 19625 1 290 . 1 1 27 27 ILE HG13 H 1 1.11 0.02 . 2 . . . A 27 ILE HG13 . 19625 1 291 . 1 1 27 27 ILE HG21 H 1 0.56 0.02 . 2 . . . A 27 ILE HG21 . 19625 1 292 . 1 1 27 27 ILE HG22 H 1 0.56 0.02 . 2 . . . A 27 ILE HG22 . 19625 1 293 . 1 1 27 27 ILE HG23 H 1 0.56 0.02 . 2 . . . A 27 ILE HG23 . 19625 1 294 . 1 1 27 27 ILE HD11 H 1 0.39 0.02 . 2 . . . A 27 ILE HD11 . 19625 1 295 . 1 1 27 27 ILE HD12 H 1 0.39 0.02 . 2 . . . A 27 ILE HD12 . 19625 1 296 . 1 1 27 27 ILE HD13 H 1 0.39 0.02 . 2 . . . A 27 ILE HD13 . 19625 1 297 . 1 1 27 27 ILE C C 13 177.54 0.2 . 1 . . . A 27 ILE C . 19625 1 298 . 1 1 27 27 ILE CA C 13 63.44 0.2 . 1 . . . A 27 ILE CA . 19625 1 299 . 1 1 27 27 ILE CB C 13 36.4 0.2 . 1 . . . A 27 ILE CB . 19625 1 300 . 1 1 27 27 ILE CG1 C 13 28.44 0.2 . 1 . . . A 27 ILE CG1 . 19625 1 301 . 1 1 27 27 ILE CG2 C 13 19.11 0.2 . 1 . . . A 27 ILE CG2 . 19625 1 302 . 1 1 27 27 ILE CD1 C 13 11.38 0.2 . 1 . . . A 27 ILE CD1 . 19625 1 303 . 1 1 27 27 ILE N N 15 124.2 0.15 . 1 . . . A 27 ILE N . 19625 1 304 . 1 1 28 28 THR H H 1 8.03 0.02 . 1 . . . A 28 THR H . 19625 1 305 . 1 1 28 28 THR HA H 1 3.51 0.02 . 1 . . . A 28 THR HA . 19625 1 306 . 1 1 28 28 THR HB H 1 3.77 0.02 . 1 . . . A 28 THR HB . 19625 1 307 . 1 1 28 28 THR HG21 H 1 0.98 0.02 . 2 . . . A 28 THR HG21 . 19625 1 308 . 1 1 28 28 THR HG22 H 1 0.98 0.02 . 2 . . . A 28 THR HG22 . 19625 1 309 . 1 1 28 28 THR HG23 H 1 0.98 0.02 . 2 . . . A 28 THR HG23 . 19625 1 310 . 1 1 28 28 THR C C 13 176.21 0.2 . 1 . . . A 28 THR C . 19625 1 311 . 1 1 28 28 THR CA C 13 67.3 0.2 . 1 . . . A 28 THR CA . 19625 1 312 . 1 1 28 28 THR CB C 13 69.24 0.2 . 1 . . . A 28 THR CB . 19625 1 313 . 1 1 28 28 THR CG2 C 13 22.63 0.2 . 1 . . . A 28 THR CG2 . 19625 1 314 . 1 1 28 28 THR N N 15 114.81 0.15 . 1 . . . A 28 THR N . 19625 1 315 . 1 1 29 29 ASN H H 1 7.64 0.02 . 1 . . . A 29 ASN H . 19625 1 316 . 1 1 29 29 ASN HA H 1 4.4 0.02 . 1 . . . A 29 ASN HA . 19625 1 317 . 1 1 29 29 ASN HB2 H 1 2.51 0.02 . 2 . . . A 29 ASN HB2 . 19625 1 318 . 1 1 29 29 ASN HB3 H 1 2.65 0.02 . 2 . . . A 29 ASN HB3 . 19625 1 319 . 1 1 29 29 ASN HD21 H 1 6.89 0.02 . 2 . . . A 29 ASN HD21 . 19625 1 320 . 1 1 29 29 ASN HD22 H 1 7.47 0.02 . 2 . . . A 29 ASN HD22 . 19625 1 321 . 1 1 29 29 ASN C C 13 175.11 0.2 . 1 . . . A 29 ASN C . 19625 1 322 . 1 1 29 29 ASN CA C 13 57.1 0.2 . 1 . . . A 29 ASN CA . 19625 1 323 . 1 1 29 29 ASN CB C 13 38.7 0.2 . 1 . . . A 29 ASN CB . 19625 1 324 . 1 1 29 29 ASN N N 15 120.67 0.15 . 1 . . . A 29 ASN N . 19625 1 325 . 1 1 29 29 ASN ND2 N 15 114.15 0.15 . 1 . . . A 29 ASN ND2 . 19625 1 326 . 1 1 30 30 GLN H H 1 8.62 0.02 . 1 . . . A 30 GLN H . 19625 1 327 . 1 1 30 30 GLN HA H 1 3.85 0.02 . 1 . . . A 30 GLN HA . 19625 1 328 . 1 1 30 30 GLN HB2 H 1 2.01 0.02 . 2 . . . A 30 GLN HB2 . 19625 1 329 . 1 1 30 30 GLN HB3 H 1 2.01 0.02 . 2 . . . A 30 GLN HB3 . 19625 1 330 . 1 1 30 30 GLN HG2 H 1 1.98 0.02 . 2 . . . A 30 GLN HG2 . 19625 1 331 . 1 1 30 30 GLN HG3 H 1 1.98 0.02 . 2 . . . A 30 GLN HG3 . 19625 1 332 . 1 1 30 30 GLN HE21 H 1 7.72 0.02 . 2 . . . A 30 GLN HE21 . 19625 1 333 . 1 1 30 30 GLN HE22 H 1 6.78 0.02 . 2 . . . A 30 GLN HE22 . 19625 1 334 . 1 1 30 30 GLN CA C 13 61.51 0.2 . 1 . . . A 30 GLN CA . 19625 1 335 . 1 1 30 30 GLN CB C 13 32.06 0.2 . 1 . . . A 30 GLN CB . 19625 1 336 . 1 1 30 30 GLN CG C 13 36.8 0.2 . 1 . . . A 30 GLN CG . 19625 1 337 . 1 1 30 30 GLN N N 15 122.18 0.15 . 1 . . . A 30 GLN N . 19625 1 338 . 1 1 30 30 GLN NE2 N 15 110.69 0.15 . 1 . . . A 30 GLN NE2 . 19625 1 339 . 1 1 31 31 LYS H H 1 8.23 0.02 . 1 . . . A 31 LYS H . 19625 1 340 . 1 1 31 31 LYS HA H 1 3.83 0.02 . 1 . . . A 31 LYS HA . 19625 1 341 . 1 1 31 31 LYS HB2 H 1 1.58 0.02 . 2 . . . A 31 LYS HB2 . 19625 1 342 . 1 1 31 31 LYS HB3 H 1 1.2 0.02 . 2 . . . A 31 LYS HB3 . 19625 1 343 . 1 1 31 31 LYS HG2 H 1 0.53 0.02 . 2 . . . A 31 LYS HG2 . 19625 1 344 . 1 1 31 31 LYS HG3 H 1 1.24 0.02 . 2 . . . A 31 LYS HG3 . 19625 1 345 . 1 1 31 31 LYS HD2 H 1 0.88 0.02 . 2 . . . A 31 LYS HD2 . 19625 1 346 . 1 1 31 31 LYS HD3 H 1 1.06 0.02 . 2 . . . A 31 LYS HD3 . 19625 1 347 . 1 1 31 31 LYS HE2 H 1 1.74 0.02 . 2 . . . A 31 LYS HE2 . 19625 1 348 . 1 1 31 31 LYS HE3 H 1 2.06 0.02 . 2 . . . A 31 LYS HE3 . 19625 1 349 . 1 1 31 31 LYS C C 13 178.37 0.2 . 1 . . . A 31 LYS C . 19625 1 350 . 1 1 31 31 LYS CA C 13 61.3 0.2 . 1 . . . A 31 LYS CA . 19625 1 351 . 1 1 31 31 LYS CB C 13 33.58 0.2 . 1 . . . A 31 LYS CB . 19625 1 352 . 1 1 31 31 LYS CG C 13 25.67 0.2 . 1 . . . A 31 LYS CG . 19625 1 353 . 1 1 31 31 LYS CD C 13 29.96 0.2 . 1 . . . A 31 LYS CD . 19625 1 354 . 1 1 31 31 LYS CE C 13 42.05 0.2 . 1 . . . A 31 LYS CE . 19625 1 355 . 1 1 31 31 LYS N N 15 116.86 0.15 . 1 . . . A 31 LYS N . 19625 1 356 . 1 1 32 32 LYS H H 1 7.47 0.02 . 1 . . . A 32 LYS H . 19625 1 357 . 1 1 32 32 LYS HA H 1 3.85 0.02 . 1 . . . A 32 LYS HA . 19625 1 358 . 1 1 32 32 LYS HB2 H 1 1.74 0.02 . 2 . . . A 32 LYS HB2 . 19625 1 359 . 1 1 32 32 LYS HB3 H 1 1.74 0.02 . 2 . . . A 32 LYS HB3 . 19625 1 360 . 1 1 32 32 LYS HG2 H 1 1.25 0.02 . 2 . . . A 32 LYS HG2 . 19625 1 361 . 1 1 32 32 LYS HG3 H 1 1.38 0.02 . 2 . . . A 32 LYS HG3 . 19625 1 362 . 1 1 32 32 LYS HD2 H 1 1.47 0.02 . 2 . . . A 32 LYS HD2 . 19625 1 363 . 1 1 32 32 LYS HD3 H 1 1.47 0.02 . 2 . . . A 32 LYS HD3 . 19625 1 364 . 1 1 32 32 LYS HE2 H 1 2.78 0.02 . 2 . . . A 32 LYS HE2 . 19625 1 365 . 1 1 32 32 LYS HE3 H 1 2.78 0.02 . 2 . . . A 32 LYS HE3 . 19625 1 366 . 1 1 32 32 LYS C C 13 177.84 0.2 . 1 . . . A 32 LYS C . 19625 1 367 . 1 1 32 32 LYS CA C 13 60.2 0.2 . 1 . . . A 32 LYS CA . 19625 1 368 . 1 1 32 32 LYS CB C 13 33.5 0.2 . 1 . . . A 32 LYS CB . 19625 1 369 . 1 1 32 32 LYS CG C 13 25.47 0.2 . 1 . . . A 32 LYS CG . 19625 1 370 . 1 1 32 32 LYS CD C 13 29.68 0.2 . 1 . . . A 32 LYS CD . 19625 1 371 . 1 1 32 32 LYS CE C 13 43.16 0.2 . 1 . . . A 32 LYS CE . 19625 1 372 . 1 1 32 32 LYS N N 15 117.72 0.15 . 1 . . . A 32 LYS N . 19625 1 373 . 1 1 33 33 TYR H H 1 8.21 0.02 . 1 . . . A 33 TYR H . 19625 1 374 . 1 1 33 33 TYR HA H 1 4.14 0.02 . 1 . . . A 33 TYR HA . 19625 1 375 . 1 1 33 33 TYR HB2 H 1 2.89 0.02 . 2 . . . A 33 TYR HB2 . 19625 1 376 . 1 1 33 33 TYR HB3 H 1 3.16 0.02 . 2 . . . A 33 TYR HB3 . 19625 1 377 . 1 1 33 33 TYR HD1 H 1 6.88 0.02 . 3 . . . A 33 TYR HD1 . 19625 1 378 . 1 1 33 33 TYR HD2 H 1 6.88 0.02 . 3 . . . A 33 TYR HD2 . 19625 1 379 . 1 1 33 33 TYR HE1 H 1 6.61 0.02 . 3 . . . A 33 TYR HE1 . 19625 1 380 . 1 1 33 33 TYR HE2 H 1 6.61 0.02 . 3 . . . A 33 TYR HE2 . 19625 1 381 . 1 1 33 33 TYR C C 13 178.99 0.2 . 1 . . . A 33 TYR C . 19625 1 382 . 1 1 33 33 TYR CA C 13 61.9 0.2 . 1 . . . A 33 TYR CA . 19625 1 383 . 1 1 33 33 TYR CB C 13 40.25 0.2 . 1 . . . A 33 TYR CB . 19625 1 384 . 1 1 33 33 TYR CD1 C 13 133.77 0.2 . 3 . . . A 33 TYR CD1 . 19625 1 385 . 1 1 33 33 TYR CE1 C 13 118.98 0.2 . 3 . . . A 33 TYR CE1 . 19625 1 386 . 1 1 33 33 TYR N N 15 120.23 0.15 . 1 . . . A 33 TYR N . 19625 1 387 . 1 1 34 34 LEU H H 1 8.27 0.02 . 1 . . . A 34 LEU H . 19625 1 388 . 1 1 34 34 LEU HA H 1 3.78 0.02 . 1 . . . A 34 LEU HA . 19625 1 389 . 1 1 34 34 LEU HB2 H 1 1.33 0.02 . 2 . . . A 34 LEU HB2 . 19625 1 390 . 1 1 34 34 LEU HB3 H 1 1.92 0.02 . 2 . . . A 34 LEU HB3 . 19625 1 391 . 1 1 34 34 LEU HG H 1 1.92 0.02 . 1 . . . A 34 LEU HG . 19625 1 392 . 1 1 34 34 LEU HD11 H 1 0.57 0.02 . 2 . . . A 34 LEU HD11 . 19625 1 393 . 1 1 34 34 LEU HD12 H 1 0.57 0.02 . 2 . . . A 34 LEU HD12 . 19625 1 394 . 1 1 34 34 LEU HD13 H 1 0.57 0.02 . 2 . . . A 34 LEU HD13 . 19625 1 395 . 1 1 34 34 LEU HD21 H 1 1 0.02 . 2 . . . A 34 LEU HD21 . 19625 1 396 . 1 1 34 34 LEU HD22 H 1 1 0.02 . 2 . . . A 34 LEU HD22 . 19625 1 397 . 1 1 34 34 LEU HD23 H 1 1 0.02 . 2 . . . A 34 LEU HD23 . 19625 1 398 . 1 1 34 34 LEU C C 13 178.37 0.2 . 1 . . . A 34 LEU C . 19625 1 399 . 1 1 34 34 LEU CA C 13 59 0.2 . 1 . . . A 34 LEU CA . 19625 1 400 . 1 1 34 34 LEU CB C 13 43 0.2 . 1 . . . A 34 LEU CB . 19625 1 401 . 1 1 34 34 LEU CG C 13 28.76 0.2 . 1 . . . A 34 LEU CG . 19625 1 402 . 1 1 34 34 LEU CD1 C 13 24.69 0.2 . 2 . . . A 34 LEU CD1 . 19625 1 403 . 1 1 34 34 LEU CD2 C 13 26.91 0.2 . 2 . . . A 34 LEU CD2 . 19625 1 404 . 1 1 34 34 LEU N N 15 117.68 0.15 . 1 . . . A 34 LEU N . 19625 1 405 . 1 1 35 35 GLU H H 1 8.49 0.02 . 1 . . . A 35 GLU H . 19625 1 406 . 1 1 35 35 GLU HA H 1 3.6 0.02 . 1 . . . A 35 GLU HA . 19625 1 407 . 1 1 35 35 GLU HB2 H 1 1.99 0.02 . 2 . . . A 35 GLU HB2 . 19625 1 408 . 1 1 35 35 GLU HB3 H 1 1.99 0.02 . 2 . . . A 35 GLU HB3 . 19625 1 409 . 1 1 35 35 GLU HG2 H 1 2.08 0.02 . 2 . . . A 35 GLU HG2 . 19625 1 410 . 1 1 35 35 GLU HG3 H 1 2.3 0.02 . 2 . . . A 35 GLU HG3 . 19625 1 411 . 1 1 35 35 GLU C C 13 178.48 0.2 . 1 . . . A 35 GLU C . 19625 1 412 . 1 1 35 35 GLU CA C 13 61.5 0.2 . 1 . . . A 35 GLU CA . 19625 1 413 . 1 1 35 35 GLU CB C 13 30.4 0.2 . 1 . . . A 35 GLU CB . 19625 1 414 . 1 1 35 35 GLU CG C 13 38.05 0.2 . 1 . . . A 35 GLU CG . 19625 1 415 . 1 1 35 35 GLU N N 15 120.04 0.15 . 1 . . . A 35 GLU N . 19625 1 416 . 1 1 36 36 ASP H H 1 8.41 0.02 . 1 . . . A 36 ASP H . 19625 1 417 . 1 1 36 36 ASP HA H 1 4.2 0.02 . 1 . . . A 36 ASP HA . 19625 1 418 . 1 1 36 36 ASP HB2 H 1 2.41 0.02 . 2 . . . A 36 ASP HB2 . 19625 1 419 . 1 1 36 36 ASP HB3 H 1 2.64 0.02 . 2 . . . A 36 ASP HB3 . 19625 1 420 . 1 1 36 36 ASP CA C 13 58.4 0.2 . 1 . . . A 36 ASP CA . 19625 1 421 . 1 1 36 36 ASP CB C 13 41.4 0.2 . 1 . . . A 36 ASP CB . 19625 1 422 . 1 1 36 36 ASP N N 15 119.54 0.15 . 1 . . . A 36 ASP N . 19625 1 423 . 1 1 37 37 TYR H H 1 7.56 0.02 . 1 . . . A 37 TYR H . 19625 1 424 . 1 1 37 37 TYR HA H 1 3.58 0.02 . 1 . . . A 37 TYR HA . 19625 1 425 . 1 1 37 37 TYR HB2 H 1 2.68 0.02 . 2 . . . A 37 TYR HB2 . 19625 1 426 . 1 1 37 37 TYR HB3 H 1 2.83 0.02 . 2 . . . A 37 TYR HB3 . 19625 1 427 . 1 1 37 37 TYR HD1 H 1 6.66 0.02 . 3 . . . A 37 TYR HD1 . 19625 1 428 . 1 1 37 37 TYR HD2 H 1 6.66 0.02 . 3 . . . A 37 TYR HD2 . 19625 1 429 . 1 1 37 37 TYR HE1 H 1 6.53 0.02 . 3 . . . A 37 TYR HE1 . 19625 1 430 . 1 1 37 37 TYR HE2 H 1 6.53 0.02 . 3 . . . A 37 TYR HE2 . 19625 1 431 . 1 1 37 37 TYR C C 13 178.27 0.2 . 1 . . . A 37 TYR C . 19625 1 432 . 1 1 37 37 TYR CA C 13 63 0.2 . 1 . . . A 37 TYR CA . 19625 1 433 . 1 1 37 37 TYR CB C 13 39.66 0.2 . 1 . . . A 37 TYR CB . 19625 1 434 . 1 1 37 37 TYR CD1 C 13 133.64 0.2 . 3 . . . A 37 TYR CD1 . 19625 1 435 . 1 1 37 37 TYR CE1 C 13 119.56 0.2 . 3 . . . A 37 TYR CE1 . 19625 1 436 . 1 1 37 37 TYR N N 15 120.12 0.15 . 1 . . . A 37 TYR N . 19625 1 437 . 1 1 38 38 ALA H H 1 8.74 0.02 . 1 . . . A 38 ALA H . 19625 1 438 . 1 1 38 38 ALA HA H 1 3.92 0.02 . 1 . . . A 38 ALA HA . 19625 1 439 . 1 1 38 38 ALA HB1 H 1 1.36 0.02 . 2 . . . A 38 ALA HB1 . 19625 1 440 . 1 1 38 38 ALA HB2 H 1 1.36 0.02 . 2 . . . A 38 ALA HB2 . 19625 1 441 . 1 1 38 38 ALA HB3 H 1 1.36 0.02 . 2 . . . A 38 ALA HB3 . 19625 1 442 . 1 1 38 38 ALA C C 13 178.77 0.2 . 1 . . . A 38 ALA C . 19625 1 443 . 1 1 38 38 ALA CA C 13 56.1 0.2 . 1 . . . A 38 ALA CA . 19625 1 444 . 1 1 38 38 ALA CB C 13 18.9 0.2 . 1 . . . A 38 ALA CB . 19625 1 445 . 1 1 38 38 ALA N N 15 122.29 0.15 . 1 . . . A 38 ALA N . 19625 1 446 . 1 1 39 39 ARG H H 1 8.39 0.02 . 1 . . . A 39 ARG H . 19625 1 447 . 1 1 39 39 ARG HA H 1 3.94 0.02 . 1 . . . A 39 ARG HA . 19625 1 448 . 1 1 39 39 ARG HB2 H 1 1.71 0.02 . 2 . . . A 39 ARG HB2 . 19625 1 449 . 1 1 39 39 ARG HB3 H 1 1.78 0.02 . 2 . . . A 39 ARG HB3 . 19625 1 450 . 1 1 39 39 ARG HG2 H 1 1.42 0.02 . 2 . . . A 39 ARG HG2 . 19625 1 451 . 1 1 39 39 ARG HG3 H 1 1.63 0.02 . 2 . . . A 39 ARG HG3 . 19625 1 452 . 1 1 39 39 ARG HD2 H 1 3.06 0.02 . 2 . . . A 39 ARG HD2 . 19625 1 453 . 1 1 39 39 ARG HD3 H 1 3.06 0.02 . 2 . . . A 39 ARG HD3 . 19625 1 454 . 1 1 39 39 ARG C C 13 180.55 0.2 . 1 . . . A 39 ARG C . 19625 1 455 . 1 1 39 39 ARG CA C 13 60.2 0.2 . 1 . . . A 39 ARG CA . 19625 1 456 . 1 1 39 39 ARG CB C 13 30.6 0.2 . 1 . . . A 39 ARG CB . 19625 1 457 . 1 1 39 39 ARG CG C 13 28.85 0.2 . 1 . . . A 39 ARG CG . 19625 1 458 . 1 1 39 39 ARG CD C 13 43.92 0.2 . 1 . . . A 39 ARG CD . 19625 1 459 . 1 1 39 39 ARG N N 15 117.07 0.15 . 1 . . . A 39 ARG N . 19625 1 460 . 1 1 40 40 ARG H H 1 8.03 0.02 . 1 . . . A 40 ARG H . 19625 1 461 . 1 1 40 40 ARG HA H 1 3.85 0.02 . 1 . . . A 40 ARG HA . 19625 1 462 . 1 1 40 40 ARG HB2 H 1 1.47 0.02 . 2 . . . A 40 ARG HB2 . 19625 1 463 . 1 1 40 40 ARG HB3 H 1 1.61 0.02 . 2 . . . A 40 ARG HB3 . 19625 1 464 . 1 1 40 40 ARG HG2 H 1 1.39 0.02 . 2 . . . A 40 ARG HG2 . 19625 1 465 . 1 1 40 40 ARG HG3 H 1 1.39 0.02 . 2 . . . A 40 ARG HG3 . 19625 1 466 . 1 1 40 40 ARG HD2 H 1 2.91 0.02 . 2 . . . A 40 ARG HD2 . 19625 1 467 . 1 1 40 40 ARG HD3 H 1 2.95 0.02 . 2 . . . A 40 ARG HD3 . 19625 1 468 . 1 1 40 40 ARG C C 13 177.01 0.2 . 1 . . . A 40 ARG C . 19625 1 469 . 1 1 40 40 ARG CA C 13 59.5 0.2 . 1 . . . A 40 ARG CA . 19625 1 470 . 1 1 40 40 ARG CB C 13 30.7 0.2 . 1 . . . A 40 ARG CB . 19625 1 471 . 1 1 40 40 ARG CG C 13 28.51 0.2 . 1 . . . A 40 ARG CG . 19625 1 472 . 1 1 40 40 ARG CD C 13 44.2 0.2 . 1 . . . A 40 ARG CD . 19625 1 473 . 1 1 40 40 ARG N N 15 118.99 0.15 . 1 . . . A 40 ARG N . 19625 1 474 . 1 1 41 41 ASN H H 1 7.02 0.02 . 1 . . . A 41 ASN H . 19625 1 475 . 1 1 41 41 ASN HA H 1 4.32 0.02 . 1 . . . A 41 ASN HA . 19625 1 476 . 1 1 41 41 ASN HB2 H 1 1.85 0.02 . 2 . . . A 41 ASN HB2 . 19625 1 477 . 1 1 41 41 ASN HB3 H 1 2.27 0.02 . 2 . . . A 41 ASN HB3 . 19625 1 478 . 1 1 41 41 ASN HD21 H 1 6.07 0.02 . 2 . . . A 41 ASN HD21 . 19625 1 479 . 1 1 41 41 ASN HD22 H 1 6.07 0.02 . 2 . . . A 41 ASN HD22 . 19625 1 480 . 1 1 41 41 ASN C C 13 173.55 0.2 . 1 . . . A 41 ASN C . 19625 1 481 . 1 1 41 41 ASN CA C 13 54.4 0.2 . 1 . . . A 41 ASN CA . 19625 1 482 . 1 1 41 41 ASN CB C 13 40.7 0.2 . 1 . . . A 41 ASN CB . 19625 1 483 . 1 1 41 41 ASN N N 15 113.57 0.15 . 1 . . . A 41 ASN N . 19625 1 484 . 1 1 41 41 ASN ND2 N 15 114.65 0.15 . 1 . . . A 41 ASN ND2 . 19625 1 485 . 1 1 42 42 GLY H H 1 7.23 0.02 . 1 . . . A 42 GLY H . 19625 1 486 . 1 1 42 42 GLY HA2 H 1 3.57 0.02 . 2 . . . A 42 GLY HA2 . 19625 1 487 . 1 1 42 42 GLY HA3 H 1 3.57 0.02 . 2 . . . A 42 GLY HA3 . 19625 1 488 . 1 1 42 42 GLY C C 13 174.12 0.2 . 1 . . . A 42 GLY C . 19625 1 489 . 1 1 42 42 GLY CA C 13 47.3 0.2 . 1 . . . A 42 GLY CA . 19625 1 490 . 1 1 42 42 GLY N N 15 106.67 0.15 . 1 . . . A 42 GLY N . 19625 1 491 . 1 1 43 43 PHE H H 1 7.87 0.02 . 1 . . . A 43 PHE H . 19625 1 492 . 1 1 43 43 PHE HA H 1 4.34 0.02 . 1 . . . A 43 PHE HA . 19625 1 493 . 1 1 43 43 PHE HB2 H 1 2.41 0.02 . 2 . . . A 43 PHE HB2 . 19625 1 494 . 1 1 43 43 PHE HB3 H 1 3.35 0.02 . 2 . . . A 43 PHE HB3 . 19625 1 495 . 1 1 43 43 PHE HD1 H 1 7.1 0.02 . 3 . . . A 43 PHE HD1 . 19625 1 496 . 1 1 43 43 PHE HD2 H 1 7.1 0.02 . 3 . . . A 43 PHE HD2 . 19625 1 497 . 1 1 43 43 PHE HE1 H 1 7.04 0.02 . 3 . . . A 43 PHE HE1 . 19625 1 498 . 1 1 43 43 PHE HE2 H 1 7.04 0.02 . 3 . . . A 43 PHE HE2 . 19625 1 499 . 1 1 43 43 PHE C C 13 174.9 0.2 . 1 . . . A 43 PHE C . 19625 1 500 . 1 1 43 43 PHE CA C 13 59 0.2 . 1 . . . A 43 PHE CA . 19625 1 501 . 1 1 43 43 PHE CB C 13 39.5 0.2 . 1 . . . A 43 PHE CB . 19625 1 502 . 1 1 43 43 PHE CD1 C 13 132.11 0.2 . 3 . . . A 43 PHE CD1 . 19625 1 503 . 1 1 43 43 PHE CE1 C 13 138.48 0.2 . 3 . . . A 43 PHE CE1 . 19625 1 504 . 1 1 43 43 PHE N N 15 119.36 0.15 . 1 . . . A 43 PHE N . 19625 1 505 . 1 1 44 44 GLU H H 1 8.51 0.02 . 1 . . . A 44 GLU H . 19625 1 506 . 1 1 44 44 GLU HA H 1 4.37 0.02 . 1 . . . A 44 GLU HA . 19625 1 507 . 1 1 44 44 GLU HB2 H 1 1.68 0.02 . 2 . . . A 44 GLU HB2 . 19625 1 508 . 1 1 44 44 GLU HB3 H 1 1.9 0.02 . 2 . . . A 44 GLU HB3 . 19625 1 509 . 1 1 44 44 GLU HG2 H 1 1.96 0.02 . 2 . . . A 44 GLU HG2 . 19625 1 510 . 1 1 44 44 GLU HG3 H 1 2.04 0.02 . 2 . . . A 44 GLU HG3 . 19625 1 511 . 1 1 44 44 GLU C C 13 175.87 0.2 . 1 . . . A 44 GLU C . 19625 1 512 . 1 1 44 44 GLU CA C 13 55.51 0.2 . 1 . . . A 44 GLU CA . 19625 1 513 . 1 1 44 44 GLU CB C 13 33.7 0.2 . 1 . . . A 44 GLU CB . 19625 1 514 . 1 1 44 44 GLU CG C 13 37.01 0.2 . 1 . . . A 44 GLU CG . 19625 1 515 . 1 1 44 44 GLU N N 15 119.76 0.15 . 1 . . . A 44 GLU N . 19625 1 516 . 1 1 45 45 ASN H H 1 8.71 0.02 . 1 . . . A 45 ASN H . 19625 1 517 . 1 1 45 45 ASN HA H 1 4.16 0.02 . 1 . . . A 45 ASN HA . 19625 1 518 . 1 1 45 45 ASN HB2 H 1 2.87 0.02 . 2 . . . A 45 ASN HB2 . 19625 1 519 . 1 1 45 45 ASN HB3 H 1 2.87 0.02 . 2 . . . A 45 ASN HB3 . 19625 1 520 . 1 1 45 45 ASN HD21 H 1 6.69 0.02 . 2 . . . A 45 ASN HD21 . 19625 1 521 . 1 1 45 45 ASN HD22 H 1 6.94 0.02 . 2 . . . A 45 ASN HD22 . 19625 1 522 . 1 1 45 45 ASN C C 13 174.73 0.2 . 1 . . . A 45 ASN C . 19625 1 523 . 1 1 45 45 ASN CA C 13 54.2 0.2 . 1 . . . A 45 ASN CA . 19625 1 524 . 1 1 45 45 ASN CB C 13 37.7 0.2 . 1 . . . A 45 ASN CB . 19625 1 525 . 1 1 45 45 ASN N N 15 118.28 0.15 . 1 . . . A 45 ASN N . 19625 1 526 . 1 1 45 45 ASN ND2 N 15 113.35 0.15 . 1 . . . A 45 ASN ND2 . 19625 1 527 . 1 1 46 46 ILE H H 1 7.84 0.02 . 1 . . . A 46 ILE H . 19625 1 528 . 1 1 46 46 ILE HA H 1 4.38 0.02 . 1 . . . A 46 ILE HA . 19625 1 529 . 1 1 46 46 ILE HB H 1 1.39 0.02 . 1 . . . A 46 ILE HB . 19625 1 530 . 1 1 46 46 ILE HG12 H 1 0.68 0.02 . 2 . . . A 46 ILE HG12 . 19625 1 531 . 1 1 46 46 ILE HG13 H 1 1.22 0.02 . 2 . . . A 46 ILE HG13 . 19625 1 532 . 1 1 46 46 ILE HG21 H 1 0.37 0.02 . 2 . . . A 46 ILE HG21 . 19625 1 533 . 1 1 46 46 ILE HG22 H 1 0.37 0.02 . 2 . . . A 46 ILE HG22 . 19625 1 534 . 1 1 46 46 ILE HG23 H 1 0.37 0.02 . 2 . . . A 46 ILE HG23 . 19625 1 535 . 1 1 46 46 ILE HD11 H 1 0.56 0.02 . 2 . . . A 46 ILE HD11 . 19625 1 536 . 1 1 46 46 ILE HD12 H 1 0.56 0.02 . 2 . . . A 46 ILE HD12 . 19625 1 537 . 1 1 46 46 ILE HD13 H 1 0.56 0.02 . 2 . . . A 46 ILE HD13 . 19625 1 538 . 1 1 46 46 ILE C C 13 177.37 0.2 . 1 . . . A 46 ILE C . 19625 1 539 . 1 1 46 46 ILE CA C 13 62.3 0.2 . 1 . . . A 46 ILE CA . 19625 1 540 . 1 1 46 46 ILE CB C 13 39.9 0.2 . 1 . . . A 46 ILE CB . 19625 1 541 . 1 1 46 46 ILE CG1 C 13 28.92 0.2 . 1 . . . A 46 ILE CG1 . 19625 1 542 . 1 1 46 46 ILE CG2 C 13 19.11 0.2 . 1 . . . A 46 ILE CG2 . 19625 1 543 . 1 1 46 46 ILE CD1 C 13 15.03 0.2 . 1 . . . A 46 ILE CD1 . 19625 1 544 . 1 1 46 46 ILE N N 15 117.44 0.15 . 1 . . . A 46 ILE N . 19625 1 545 . 1 1 47 47 ARG H H 1 8.44 0.02 . 1 . . . A 47 ARG H . 19625 1 546 . 1 1 47 47 ARG HA H 1 4.25 0.02 . 1 . . . A 47 ARG HA . 19625 1 547 . 1 1 47 47 ARG HB2 H 1 1.37 0.02 . 2 . . . A 47 ARG HB2 . 19625 1 548 . 1 1 47 47 ARG HB3 H 1 1.47 0.02 . 2 . . . A 47 ARG HB3 . 19625 1 549 . 1 1 47 47 ARG HG2 H 1 1 0.02 . 2 . . . A 47 ARG HG2 . 19625 1 550 . 1 1 47 47 ARG HG3 H 1 1.35 0.02 . 2 . . . A 47 ARG HG3 . 19625 1 551 . 1 1 47 47 ARG HD2 H 1 2.86 0.02 . 2 . . . A 47 ARG HD2 . 19625 1 552 . 1 1 47 47 ARG HD3 H 1 2.86 0.02 . 2 . . . A 47 ARG HD3 . 19625 1 553 . 1 1 47 47 ARG C C 13 173.9 0.2 . 1 . . . A 47 ARG C . 19625 1 554 . 1 1 47 47 ARG CA C 13 55.9 0.2 . 1 . . . A 47 ARG CA . 19625 1 555 . 1 1 47 47 ARG CB C 13 35.1 0.2 . 1 . . . A 47 ARG CB . 19625 1 556 . 1 1 47 47 ARG CG C 13 27.3 0.2 . 1 . . . A 47 ARG CG . 19625 1 557 . 1 1 47 47 ARG CD C 13 44.13 0.2 . 1 . . . A 47 ARG CD . 19625 1 558 . 1 1 47 47 ARG N N 15 126.6 0.15 . 1 . . . A 47 ARG N . 19625 1 559 . 1 1 48 48 HIS H H 1 8.53 0.02 . 1 . . . A 48 HIS H . 19625 1 560 . 1 1 48 48 HIS HA H 1 5.18 0.02 . 1 . . . A 48 HIS HA . 19625 1 561 . 1 1 48 48 HIS HB2 H 1 2.64 0.02 . 2 . . . A 48 HIS HB2 . 19625 1 562 . 1 1 48 48 HIS HB3 H 1 2.97 0.02 . 2 . . . A 48 HIS HB3 . 19625 1 563 . 1 1 48 48 HIS HD2 H 1 6.89 0.02 . 1 . . . A 48 HIS HD2 . 19625 1 564 . 1 1 48 48 HIS HE1 H 1 7.68 0.02 . 1 . . . A 48 HIS HE1 . 19625 1 565 . 1 1 48 48 HIS C C 13 175.37 0.2 . 1 . . . A 48 HIS C . 19625 1 566 . 1 1 48 48 HIS CA C 13 57.5 0.2 . 1 . . . A 48 HIS CA . 19625 1 567 . 1 1 48 48 HIS CB C 13 32.5 0.2 . 1 . . . A 48 HIS CB . 19625 1 568 . 1 1 48 48 HIS CD2 C 13 119.52 0.2 . 1 . . . A 48 HIS CD2 . 19625 1 569 . 1 1 48 48 HIS CE1 C 13 138.48 0.2 . 1 . . . A 48 HIS CE1 . 19625 1 570 . 1 1 48 48 HIS N N 15 122.6 0.15 . 1 . . . A 48 HIS N . 19625 1 571 . 1 1 49 49 PHE H H 1 9.34 0.02 . 1 . . . A 49 PHE H . 19625 1 572 . 1 1 49 49 PHE HA H 1 4.48 0.02 . 1 . . . A 49 PHE HA . 19625 1 573 . 1 1 49 49 PHE HB2 H 1 2.74 0.02 . 2 . . . A 49 PHE HB2 . 19625 1 574 . 1 1 49 49 PHE HB3 H 1 2.93 0.02 . 2 . . . A 49 PHE HB3 . 19625 1 575 . 1 1 49 49 PHE HD1 H 1 7.17 0.02 . 3 . . . A 49 PHE HD1 . 19625 1 576 . 1 1 49 49 PHE HD2 H 1 7.17 0.02 . 3 . . . A 49 PHE HD2 . 19625 1 577 . 1 1 49 49 PHE HE1 H 1 6.87 0.02 . 3 . . . A 49 PHE HE1 . 19625 1 578 . 1 1 49 49 PHE HE2 H 1 6.87 0.02 . 3 . . . A 49 PHE HE2 . 19625 1 579 . 1 1 49 49 PHE HZ H 1 6.74 0.02 . 1 . . . A 49 PHE HZ . 19625 1 580 . 1 1 49 49 PHE C C 13 173.76 0.2 . 1 . . . A 49 PHE C . 19625 1 581 . 1 1 49 49 PHE CA C 13 58.4 0.2 . 1 . . . A 49 PHE CA . 19625 1 582 . 1 1 49 49 PHE CB C 13 42.5 0.2 . 1 . . . A 49 PHE CB . 19625 1 583 . 1 1 49 49 PHE CD1 C 13 133.7 0.2 . 3 . . . A 49 PHE CD1 . 19625 1 584 . 1 1 49 49 PHE CE1 C 13 131.44 0.2 . 3 . . . A 49 PHE CE1 . 19625 1 585 . 1 1 49 49 PHE CZ C 13 128.89 0.2 . 1 . . . A 49 PHE CZ . 19625 1 586 . 1 1 49 49 PHE N N 15 124.09 0.15 . 1 . . . A 49 PHE N . 19625 1 587 . 1 1 50 50 THR H H 1 8.53 0.02 . 1 . . . A 50 THR H . 19625 1 588 . 1 1 50 50 THR HA H 1 4.72 0.02 . 1 . . . A 50 THR HA . 19625 1 589 . 1 1 50 50 THR HB H 1 3.55 0.02 . 1 . . . A 50 THR HB . 19625 1 590 . 1 1 50 50 THR HG21 H 1 1 0.02 . 2 . . . A 50 THR HG21 . 19625 1 591 . 1 1 50 50 THR HG22 H 1 1 0.02 . 2 . . . A 50 THR HG22 . 19625 1 592 . 1 1 50 50 THR HG23 H 1 1 0.02 . 2 . . . A 50 THR HG23 . 19625 1 593 . 1 1 50 50 THR C C 13 172.64 0.2 . 1 . . . A 50 THR C . 19625 1 594 . 1 1 50 50 THR CA C 13 63.2 0.2 . 1 . . . A 50 THR CA . 19625 1 595 . 1 1 50 50 THR CB C 13 72.3 0.2 . 1 . . . A 50 THR CB . 19625 1 596 . 1 1 50 50 THR CG2 C 13 24.36 0.2 . 1 . . . A 50 THR CG2 . 19625 1 597 . 1 1 50 50 THR N N 15 117.9 0.15 . 1 . . . A 50 THR N . 19625 1 598 . 1 1 51 51 ASP H H 1 8.56 0.02 . 1 . . . A 51 ASP H . 19625 1 599 . 1 1 51 51 ASP HA H 1 5.27 0.02 . 1 . . . A 51 ASP HA . 19625 1 600 . 1 1 51 51 ASP HB2 H 1 2.47 0.02 . 2 . . . A 51 ASP HB2 . 19625 1 601 . 1 1 51 51 ASP HB3 H 1 2.47 0.02 . 2 . . . A 51 ASP HB3 . 19625 1 602 . 1 1 51 51 ASP C C 13 173.53 0.2 . 1 . . . A 51 ASP C . 19625 1 603 . 1 1 51 51 ASP CA C 13 55 0.2 . 1 . . . A 51 ASP CA . 19625 1 604 . 1 1 51 51 ASP CB C 13 44.3 0.2 . 1 . . . A 51 ASP CB . 19625 1 605 . 1 1 51 51 ASP N N 15 127.24 0.15 . 1 . . . A 51 ASP N . 19625 1 606 . 1 1 52 52 ASP H H 1 9.21 0.02 . 1 . . . A 52 ASP H . 19625 1 607 . 1 1 52 52 ASP HA H 1 4.51 0.02 . 1 . . . A 52 ASP HA . 19625 1 608 . 1 1 52 52 ASP HB2 H 1 2.09 0.02 . 2 . . . A 52 ASP HB2 . 19625 1 609 . 1 1 52 52 ASP HB3 H 1 2.92 0.02 . 2 . . . A 52 ASP HB3 . 19625 1 610 . 1 1 52 52 ASP C C 13 175.09 0.2 . 1 . . . A 52 ASP C . 19625 1 611 . 1 1 52 52 ASP CA C 13 54.85 0.2 . 1 . . . A 52 ASP CA . 19625 1 612 . 1 1 52 52 ASP CB C 13 42.1 0.2 . 1 . . . A 52 ASP CB . 19625 1 613 . 1 1 52 52 ASP N N 15 125.7 0.15 . 1 . . . A 52 ASP N . 19625 1 614 . 1 1 53 53 GLY H H 1 8.66 0.02 . 1 . . . A 53 GLY H . 19625 1 615 . 1 1 53 53 GLY HA2 H 1 4.01 0.02 . 2 . . . A 53 GLY HA2 . 19625 1 616 . 1 1 53 53 GLY HA3 H 1 3.63 0.02 . 2 . . . A 53 GLY HA3 . 19625 1 617 . 1 1 53 53 GLY C C 13 173.95 0.2 . 1 . . . A 53 GLY C . 19625 1 618 . 1 1 53 53 GLY CA C 13 46.6 0.2 . 1 . . . A 53 GLY CA . 19625 1 619 . 1 1 53 53 GLY N N 15 113.64 0.15 . 1 . . . A 53 GLY N . 19625 1 620 . 1 1 54 54 PHE H H 1 6.78 0.02 . 1 . . . A 54 PHE H . 19625 1 621 . 1 1 54 54 PHE HA H 1 4.48 0.02 . 1 . . . A 54 PHE HA . 19625 1 622 . 1 1 54 54 PHE HB2 H 1 3.08 0.02 . 2 . . . A 54 PHE HB2 . 19625 1 623 . 1 1 54 54 PHE HB3 H 1 3.08 0.02 . 2 . . . A 54 PHE HB3 . 19625 1 624 . 1 1 54 54 PHE HD1 H 1 6.96 0.02 . 3 . . . A 54 PHE HD1 . 19625 1 625 . 1 1 54 54 PHE HD2 H 1 6.96 0.02 . 3 . . . A 54 PHE HD2 . 19625 1 626 . 1 1 54 54 PHE HE1 H 1 7.34 0.02 . 3 . . . A 54 PHE HE1 . 19625 1 627 . 1 1 54 54 PHE HE2 H 1 7.34 0.02 . 3 . . . A 54 PHE HE2 . 19625 1 628 . 1 1 54 54 PHE HZ H 1 5.23 0.02 . 1 . . . A 54 PHE HZ . 19625 1 629 . 1 1 54 54 PHE C C 13 174.24 0.2 . 1 . . . A 54 PHE C . 19625 1 630 . 1 1 54 54 PHE CA C 13 58.2 0.2 . 1 . . . A 54 PHE CA . 19625 1 631 . 1 1 54 54 PHE CB C 13 42.9 0.2 . 1 . . . A 54 PHE CB . 19625 1 632 . 1 1 54 54 PHE CD1 C 13 132.58 0.2 . 3 . . . A 54 PHE CD1 . 19625 1 633 . 1 1 54 54 PHE CE1 C 13 133.01 0.2 . 3 . . . A 54 PHE CE1 . 19625 1 634 . 1 1 54 54 PHE CZ C 13 130.98 0.2 . 1 . . . A 54 PHE CZ . 19625 1 635 . 1 1 54 54 PHE N N 15 116.49 0.15 . 1 . . . A 54 PHE N . 19625 1 636 . 1 1 55 55 SER H H 1 8.62 0.02 . 1 . . . A 55 SER H . 19625 1 637 . 1 1 55 55 SER HA H 1 4.19 0.02 . 1 . . . A 55 SER HA . 19625 1 638 . 1 1 55 55 SER HB2 H 1 3.4 0.02 . 2 . . . A 55 SER HB2 . 19625 1 639 . 1 1 55 55 SER HB3 H 1 3.94 0.02 . 2 . . . A 55 SER HB3 . 19625 1 640 . 1 1 55 55 SER C C 13 175.49 0.2 . 1 . . . A 55 SER C . 19625 1 641 . 1 1 55 55 SER CA C 13 59 0.2 . 1 . . . A 55 SER CA . 19625 1 642 . 1 1 55 55 SER CB C 13 63.6 0.2 . 1 . . . A 55 SER CB . 19625 1 643 . 1 1 55 55 SER N N 15 118.16 0.15 . 1 . . . A 55 SER N . 19625 1 644 . 1 1 56 56 GLY H H 1 8.99 0.02 . 1 . . . A 56 GLY H . 19625 1 645 . 1 1 56 56 GLY HA2 H 1 4.01 0.02 . 2 . . . A 56 GLY HA2 . 19625 1 646 . 1 1 56 56 GLY HA3 H 1 3.15 0.02 . 2 . . . A 56 GLY HA3 . 19625 1 647 . 1 1 56 56 GLY CA C 13 45.8 0.2 . 1 . . . A 56 GLY CA . 19625 1 648 . 1 1 56 56 GLY N N 15 113.64 0.15 . 1 . . . A 56 GLY N . 19625 1 649 . 1 1 57 57 VAL H H 1 8.25 0.02 . 1 . . . A 57 VAL H . 19625 1 650 . 1 1 57 57 VAL HA H 1 3.62 0.02 . 1 . . . A 57 VAL HA . 19625 1 651 . 1 1 57 57 VAL HB H 1 2.03 0.02 . 1 . . . A 57 VAL HB . 19625 1 652 . 1 1 57 57 VAL HG11 H 1 0.73 0.02 . 2 . . . A 57 VAL HG11 . 19625 1 653 . 1 1 57 57 VAL HG12 H 1 0.73 0.02 . 2 . . . A 57 VAL HG12 . 19625 1 654 . 1 1 57 57 VAL HG13 H 1 0.73 0.02 . 2 . . . A 57 VAL HG13 . 19625 1 655 . 1 1 57 57 VAL HG21 H 1 0.7 0.02 . 2 . . . A 57 VAL HG21 . 19625 1 656 . 1 1 57 57 VAL HG22 H 1 0.7 0.02 . 2 . . . A 57 VAL HG22 . 19625 1 657 . 1 1 57 57 VAL HG23 H 1 0.7 0.02 . 2 . . . A 57 VAL HG23 . 19625 1 658 . 1 1 57 57 VAL C C 13 173.8 0.2 . 1 . . . A 57 VAL C . 19625 1 659 . 1 1 57 57 VAL CA C 13 64.55 0.2 . 1 . . . A 57 VAL CA . 19625 1 660 . 1 1 57 57 VAL CB C 13 32.61 0.2 . 1 . . . A 57 VAL CB . 19625 1 661 . 1 1 57 57 VAL CG1 C 13 20.6 0.2 . 2 . . . A 57 VAL CG1 . 19625 1 662 . 1 1 57 57 VAL CG2 C 13 21.73 0.2 . 2 . . . A 57 VAL CG2 . 19625 1 663 . 1 1 57 57 VAL N N 15 118.02 0.15 . 1 . . . A 57 VAL N . 19625 1 664 . 1 1 58 58 ASN H H 1 6.83 0.02 . 1 . . . A 58 ASN H . 19625 1 665 . 1 1 58 58 ASN HA H 1 4.48 0.02 . 1 . . . A 58 ASN HA . 19625 1 666 . 1 1 58 58 ASN HB2 H 1 2.61 0.02 . 2 . . . A 58 ASN HB2 . 19625 1 667 . 1 1 58 58 ASN HB3 H 1 2.85 0.02 . 2 . . . A 58 ASN HB3 . 19625 1 668 . 1 1 58 58 ASN HD21 H 1 7.04 0.02 . 2 . . . A 58 ASN HD21 . 19625 1 669 . 1 1 58 58 ASN HD22 H 1 7.64 0.02 . 2 . . . A 58 ASN HD22 . 19625 1 670 . 1 1 58 58 ASN C C 13 174.31 0.2 . 1 . . . A 58 ASN C . 19625 1 671 . 1 1 58 58 ASN CA C 13 52.52 0.2 . 1 . . . A 58 ASN CA . 19625 1 672 . 1 1 58 58 ASN CB C 13 41.9 0.2 . 1 . . . A 58 ASN CB . 19625 1 673 . 1 1 58 58 ASN N N 15 112.78 0.15 . 1 . . . A 58 ASN N . 19625 1 674 . 1 1 58 58 ASN ND2 N 15 116.67 0.15 . 1 . . . A 58 ASN ND2 . 19625 1 675 . 1 1 59 59 PHE H H 1 8.95 0.02 . 1 . . . A 59 PHE H . 19625 1 676 . 1 1 59 59 PHE HA H 1 3.94 0.02 . 1 . . . A 59 PHE HA . 19625 1 677 . 1 1 59 59 PHE HB2 H 1 2.52 0.02 . 2 . . . A 59 PHE HB2 . 19625 1 678 . 1 1 59 59 PHE HB3 H 1 3.29 0.02 . 2 . . . A 59 PHE HB3 . 19625 1 679 . 1 1 59 59 PHE HD1 H 1 6.33 0.02 . 3 . . . A 59 PHE HD1 . 19625 1 680 . 1 1 59 59 PHE HD2 H 1 6.33 0.02 . 3 . . . A 59 PHE HD2 . 19625 1 681 . 1 1 59 59 PHE HE1 H 1 6.79 0.02 . 3 . . . A 59 PHE HE1 . 19625 1 682 . 1 1 59 59 PHE HE2 H 1 6.79 0.02 . 3 . . . A 59 PHE HE2 . 19625 1 683 . 1 1 59 59 PHE C C 13 175.31 0.2 . 1 . . . A 59 PHE C . 19625 1 684 . 1 1 59 59 PHE CA C 13 59.3 0.2 . 1 . . . A 59 PHE CA . 19625 1 685 . 1 1 59 59 PHE CB C 13 38.6 0.2 . 1 . . . A 59 PHE CB . 19625 1 686 . 1 1 59 59 PHE CD1 C 13 133.05 0.2 . 3 . . . A 59 PHE CD1 . 19625 1 687 . 1 1 59 59 PHE CE1 C 13 131.67 0.2 . 3 . . . A 59 PHE CE1 . 19625 1 688 . 1 1 59 59 PHE N N 15 118.57 0.15 . 1 . . . A 59 PHE N . 19625 1 689 . 1 1 60 60 ASN H H 1 8.62 0.02 . 1 . . . A 60 ASN H . 19625 1 690 . 1 1 60 60 ASN HA H 1 4.73 0.02 . 1 . . . A 60 ASN HA . 19625 1 691 . 1 1 60 60 ASN HB2 H 1 2.55 0.02 . 2 . . . A 60 ASN HB2 . 19625 1 692 . 1 1 60 60 ASN HB3 H 1 2.75 0.02 . 2 . . . A 60 ASN HB3 . 19625 1 693 . 1 1 60 60 ASN HD21 H 1 6.82 0.02 . 2 . . . A 60 ASN HD21 . 19625 1 694 . 1 1 60 60 ASN HD22 H 1 7.49 0.02 . 2 . . . A 60 ASN HD22 . 19625 1 695 . 1 1 60 60 ASN C C 13 172.86 0.2 . 1 . . . A 60 ASN C . 19625 1 696 . 1 1 60 60 ASN CA C 13 53 0.2 . 1 . . . A 60 ASN CA . 19625 1 697 . 1 1 60 60 ASN CB C 13 37.1 0.2 . 1 . . . A 60 ASN CB . 19625 1 698 . 1 1 60 60 ASN N N 15 124.69 0.15 . 1 . . . A 60 ASN N . 19625 1 699 . 1 1 60 60 ASN ND2 N 15 111.51 0.15 . 1 . . . A 60 ASN ND2 . 19625 1 700 . 1 1 61 61 ARG H H 1 7.44 0.02 . 1 . . . A 61 ARG H . 19625 1 701 . 1 1 61 61 ARG HA H 1 4.4 0.02 . 1 . . . A 61 ARG HA . 19625 1 702 . 1 1 61 61 ARG HB2 H 1 1.36 0.02 . 2 . . . A 61 ARG HB2 . 19625 1 703 . 1 1 61 61 ARG HB3 H 1 1.5 0.02 . 2 . . . A 61 ARG HB3 . 19625 1 704 . 1 1 61 61 ARG HG2 H 1 1.16 0.02 . 2 . . . A 61 ARG HG2 . 19625 1 705 . 1 1 61 61 ARG HG3 H 1 1.51 0.02 . 2 . . . A 61 ARG HG3 . 19625 1 706 . 1 1 61 61 ARG HD2 H 1 2.69 0.02 . 2 . . . A 61 ARG HD2 . 19625 1 707 . 1 1 61 61 ARG HD3 H 1 2.69 0.02 . 2 . . . A 61 ARG HD3 . 19625 1 708 . 1 1 61 61 ARG CA C 13 50.59 0.2 . 1 . . . A 61 ARG CA . 19625 1 709 . 1 1 61 61 ARG CB C 13 32.06 0.2 . 1 . . . A 61 ARG CB . 19625 1 710 . 1 1 61 61 ARG CG C 13 28.48 0.2 . 1 . . . A 61 ARG CG . 19625 1 711 . 1 1 61 61 ARG CD C 13 44.96 0.2 . 1 . . . A 61 ARG CD . 19625 1 712 . 1 1 61 61 ARG N N 15 119.26 0.15 . 1 . . . A 61 ARG N . 19625 1 713 . 1 1 62 62 PRO HA H 1 4.15 0.02 . 1 . . . A 62 PRO HA . 19625 1 714 . 1 1 62 62 PRO HB2 H 1 1.86 0.02 . 2 . . . A 62 PRO HB2 . 19625 1 715 . 1 1 62 62 PRO HB3 H 1 2.12 0.02 . 2 . . . A 62 PRO HB3 . 19625 1 716 . 1 1 62 62 PRO HG2 H 1 1.8 0.02 . 2 . . . A 62 PRO HG2 . 19625 1 717 . 1 1 62 62 PRO HG3 H 1 1.93 0.02 . 2 . . . A 62 PRO HG3 . 19625 1 718 . 1 1 62 62 PRO HD2 H 1 2.2 0.02 . 2 . . . A 62 PRO HD2 . 19625 1 719 . 1 1 62 62 PRO HD3 H 1 3.04 0.02 . 2 . . . A 62 PRO HD3 . 19625 1 720 . 1 1 62 62 PRO C C 13 179.79 0.2 . 1 . . . A 62 PRO C . 19625 1 721 . 1 1 62 62 PRO CA C 13 66.2 0.2 . 1 . . . A 62 PRO CA . 19625 1 722 . 1 1 62 62 PRO CB C 13 32.9 0.2 . 1 . . . A 62 PRO CB . 19625 1 723 . 1 1 62 62 PRO CG C 13 27.82 0.2 . 1 . . . A 62 PRO CG . 19625 1 724 . 1 1 62 62 PRO CD C 13 51.81 0.2 . 1 . . . A 62 PRO CD . 19625 1 725 . 1 1 63 63 GLY H H 1 10.74 0.02 . 1 . . . A 63 GLY H . 19625 1 726 . 1 1 63 63 GLY HA2 H 1 3.91 0.02 . 2 . . . A 63 GLY HA2 . 19625 1 727 . 1 1 63 63 GLY HA3 H 1 3.4 0.02 . 2 . . . A 63 GLY HA3 . 19625 1 728 . 1 1 63 63 GLY C C 13 176.58 0.2 . 1 . . . A 63 GLY C . 19625 1 729 . 1 1 63 63 GLY CA C 13 47.7 0.2 . 1 . . . A 63 GLY CA . 19625 1 730 . 1 1 63 63 GLY N N 15 117.02 0.15 . 1 . . . A 63 GLY N . 19625 1 731 . 1 1 64 64 PHE H H 1 9.18 0.02 . 1 . . . A 64 PHE H . 19625 1 732 . 1 1 64 64 PHE HA H 1 3.56 0.02 . 1 . . . A 64 PHE HA . 19625 1 733 . 1 1 64 64 PHE HB2 H 1 2.75 0.02 . 2 . . . A 64 PHE HB2 . 19625 1 734 . 1 1 64 64 PHE HB3 H 1 3.02 0.02 . 2 . . . A 64 PHE HB3 . 19625 1 735 . 1 1 64 64 PHE HD1 H 1 6.43 0.02 . 3 . . . A 64 PHE HD1 . 19625 1 736 . 1 1 64 64 PHE HD2 H 1 6.43 0.02 . 3 . . . A 64 PHE HD2 . 19625 1 737 . 1 1 64 64 PHE HE1 H 1 6.48 0.02 . 3 . . . A 64 PHE HE1 . 19625 1 738 . 1 1 64 64 PHE HE2 H 1 6.48 0.02 . 3 . . . A 64 PHE HE2 . 19625 1 739 . 1 1 64 64 PHE HZ H 1 5.34 0.02 . 1 . . . A 64 PHE HZ . 19625 1 740 . 1 1 64 64 PHE C C 13 176.33 0.2 . 1 . . . A 64 PHE C . 19625 1 741 . 1 1 64 64 PHE CA C 13 63.3 0.2 . 1 . . . A 64 PHE CA . 19625 1 742 . 1 1 64 64 PHE CB C 13 40.6 0.2 . 1 . . . A 64 PHE CB . 19625 1 743 . 1 1 64 64 PHE N N 15 125.39 0.15 . 1 . . . A 64 PHE N . 19625 1 744 . 1 1 65 65 GLN H H 1 8.48 0.02 . 1 . . . A 65 GLN H . 19625 1 745 . 1 1 65 65 GLN HA H 1 3.69 0.02 . 1 . . . A 65 GLN HA . 19625 1 746 . 1 1 65 65 GLN HB2 H 1 1.99 0.02 . 2 . . . A 65 GLN HB2 . 19625 1 747 . 1 1 65 65 GLN HB3 H 1 1.99 0.02 . 2 . . . A 65 GLN HB3 . 19625 1 748 . 1 1 65 65 GLN HG2 H 1 2.61 0.02 . 2 . . . A 65 GLN HG2 . 19625 1 749 . 1 1 65 65 GLN HG3 H 1 2.61 0.02 . 2 . . . A 65 GLN HG3 . 19625 1 750 . 1 1 65 65 GLN C C 13 179.24 0.2 . 1 . . . A 65 GLN C . 19625 1 751 . 1 1 65 65 GLN CA C 13 60.1 0.2 . 1 . . . A 65 GLN CA . 19625 1 752 . 1 1 65 65 GLN CB C 13 28.4 0.2 . 1 . . . A 65 GLN CB . 19625 1 753 . 1 1 65 65 GLN CG C 13 35.28 0.2 . 1 . . . A 65 GLN CG . 19625 1 754 . 1 1 65 65 GLN N N 15 115.56 0.15 . 1 . . . A 65 GLN N . 19625 1 755 . 1 1 66 66 SER H H 1 8.01 0.02 . 1 . . . A 66 SER H . 19625 1 756 . 1 1 66 66 SER HA H 1 4.08 0.02 . 1 . . . A 66 SER HA . 19625 1 757 . 1 1 66 66 SER HB2 H 1 4.13 0.02 . 2 . . . A 66 SER HB2 . 19625 1 758 . 1 1 66 66 SER HB3 H 1 4.17 0.02 . 2 . . . A 66 SER HB3 . 19625 1 759 . 1 1 66 66 SER C C 13 175.92 0.2 . 1 . . . A 66 SER C . 19625 1 760 . 1 1 66 66 SER CA C 13 62.93 0.2 . 1 . . . A 66 SER CA . 19625 1 761 . 1 1 66 66 SER CB C 13 63.88 0.2 . 1 . . . A 66 SER CB . 19625 1 762 . 1 1 66 66 SER N N 15 116.7 0.15 . 1 . . . A 66 SER N . 19625 1 763 . 1 1 67 67 LEU H H 1 7.83 0.02 . 1 . . . A 67 LEU H . 19625 1 764 . 1 1 67 67 LEU HA H 1 2.82 0.02 . 1 . . . A 67 LEU HA . 19625 1 765 . 1 1 67 67 LEU HB2 H 1 0.35 0.02 . 2 . . . A 67 LEU HB2 . 19625 1 766 . 1 1 67 67 LEU HB3 H 1 1.51 0.02 . 2 . . . A 67 LEU HB3 . 19625 1 767 . 1 1 67 67 LEU HG H 1 0.43 0.02 . 1 . . . A 67 LEU HG . 19625 1 768 . 1 1 67 67 LEU HD11 H 1 -0.23 0.02 . 2 . . . A 67 LEU HD11 . 19625 1 769 . 1 1 67 67 LEU HD12 H 1 -0.23 0.02 . 2 . . . A 67 LEU HD12 . 19625 1 770 . 1 1 67 67 LEU HD13 H 1 -0.23 0.02 . 2 . . . A 67 LEU HD13 . 19625 1 771 . 1 1 67 67 LEU HD21 H 1 0.07 0.02 . 2 . . . A 67 LEU HD21 . 19625 1 772 . 1 1 67 67 LEU HD22 H 1 0.07 0.02 . 2 . . . A 67 LEU HD22 . 19625 1 773 . 1 1 67 67 LEU HD23 H 1 0.07 0.02 . 2 . . . A 67 LEU HD23 . 19625 1 774 . 1 1 67 67 LEU C C 13 177.79 0.2 . 1 . . . A 67 LEU C . 19625 1 775 . 1 1 67 67 LEU CA C 13 58.4 0.2 . 1 . . . A 67 LEU CA . 19625 1 776 . 1 1 67 67 LEU CB C 13 41.1 0.2 . 1 . . . A 67 LEU CB . 19625 1 777 . 1 1 67 67 LEU CG C 13 27.7 0.2 . 1 . . . A 67 LEU CG . 19625 1 778 . 1 1 67 67 LEU CD1 C 13 23.89 0.2 . 2 . . . A 67 LEU CD1 . 19625 1 779 . 1 1 67 67 LEU CD2 C 13 26.58 0.2 . 2 . . . A 67 LEU CD2 . 19625 1 780 . 1 1 67 67 LEU N N 15 124.1 0.15 . 1 . . . A 67 LEU N . 19625 1 781 . 1 1 68 68 ILE H H 1 8.03 0.02 . 1 . . . A 68 ILE H . 19625 1 782 . 1 1 68 68 ILE HA H 1 3.24 0.02 . 1 . . . A 68 ILE HA . 19625 1 783 . 1 1 68 68 ILE HB H 1 1.67 0.02 . 1 . . . A 68 ILE HB . 19625 1 784 . 1 1 68 68 ILE HG12 H 1 0.55 0.02 . 2 . . . A 68 ILE HG12 . 19625 1 785 . 1 1 68 68 ILE HG13 H 1 0.55 0.02 . 2 . . . A 68 ILE HG13 . 19625 1 786 . 1 1 68 68 ILE HG21 H 1 0.67 0.02 . 2 . . . A 68 ILE HG21 . 19625 1 787 . 1 1 68 68 ILE HG22 H 1 0.67 0.02 . 2 . . . A 68 ILE HG22 . 19625 1 788 . 1 1 68 68 ILE HG23 H 1 0.67 0.02 . 2 . . . A 68 ILE HG23 . 19625 1 789 . 1 1 68 68 ILE HD11 H 1 0.02 0.02 . 2 . . . A 68 ILE HD11 . 19625 1 790 . 1 1 68 68 ILE HD12 H 1 0.02 0.02 . 2 . . . A 68 ILE HD12 . 19625 1 791 . 1 1 68 68 ILE HD13 H 1 0.02 0.02 . 2 . . . A 68 ILE HD13 . 19625 1 792 . 1 1 68 68 ILE C C 13 177.73 0.2 . 1 . . . A 68 ILE C . 19625 1 793 . 1 1 68 68 ILE CA C 13 62.1 0.2 . 1 . . . A 68 ILE CA . 19625 1 794 . 1 1 68 68 ILE CB C 13 35.1 0.2 . 1 . . . A 68 ILE CB . 19625 1 795 . 1 1 68 68 ILE CG1 C 13 27.62 0.2 . 1 . . . A 68 ILE CG1 . 19625 1 796 . 1 1 68 68 ILE CG2 C 13 18.83 0.2 . 1 . . . A 68 ILE CG2 . 19625 1 797 . 1 1 68 68 ILE CD1 C 13 9.22 0.2 . 1 . . . A 68 ILE CD1 . 19625 1 798 . 1 1 68 68 ILE N N 15 118.61 0.15 . 1 . . . A 68 ILE N . 19625 1 799 . 1 1 69 69 LYS H H 1 7.5 0.02 . 1 . . . A 69 LYS H . 19625 1 800 . 1 1 69 69 LYS HA H 1 3.9 0.02 . 1 . . . A 69 LYS HA . 19625 1 801 . 1 1 69 69 LYS HB2 H 1 1.81 0.02 . 2 . . . A 69 LYS HB2 . 19625 1 802 . 1 1 69 69 LYS HB3 H 1 1.81 0.02 . 2 . . . A 69 LYS HB3 . 19625 1 803 . 1 1 69 69 LYS HG2 H 1 1.41 0.02 . 2 . . . A 69 LYS HG2 . 19625 1 804 . 1 1 69 69 LYS HG3 H 1 1.25 0.02 . 2 . . . A 69 LYS HG3 . 19625 1 805 . 1 1 69 69 LYS HD2 H 1 1.52 0.02 . 2 . . . A 69 LYS HD2 . 19625 1 806 . 1 1 69 69 LYS HD3 H 1 1.52 0.02 . 2 . . . A 69 LYS HD3 . 19625 1 807 . 1 1 69 69 LYS HE2 H 1 2.81 0.02 . 2 . . . A 69 LYS HE2 . 19625 1 808 . 1 1 69 69 LYS HE3 H 1 2.81 0.02 . 2 . . . A 69 LYS HE3 . 19625 1 809 . 1 1 69 69 LYS C C 13 180.05 0.2 . 1 . . . A 69 LYS C . 19625 1 810 . 1 1 69 69 LYS CA C 13 60.8 0.2 . 1 . . . A 69 LYS CA . 19625 1 811 . 1 1 69 69 LYS CB C 13 32.6 0.2 . 1 . . . A 69 LYS CB . 19625 1 812 . 1 1 69 69 LYS CG C 13 25.67 0.2 . 1 . . . A 69 LYS CG . 19625 1 813 . 1 1 69 69 LYS CD C 13 29.82 0.2 . 1 . . . A 69 LYS CD . 19625 1 814 . 1 1 69 69 LYS CE C 13 43.05 0.2 . 1 . . . A 69 LYS CE . 19625 1 815 . 1 1 69 69 LYS N N 15 120.68 0.15 . 1 . . . A 69 LYS N . 19625 1 816 . 1 1 70 70 GLU H H 1 7.3 0.02 . 1 . . . A 70 GLU H . 19625 1 817 . 1 1 70 70 GLU HA H 1 4.06 0.02 . 1 . . . A 70 GLU HA . 19625 1 818 . 1 1 70 70 GLU HB2 H 1 1.8 0.02 . 2 . . . A 70 GLU HB2 . 19625 1 819 . 1 1 70 70 GLU HB3 H 1 1.8 0.02 . 2 . . . A 70 GLU HB3 . 19625 1 820 . 1 1 70 70 GLU C C 13 178.86 0.2 . 1 . . . A 70 GLU C . 19625 1 821 . 1 1 70 70 GLU CA C 13 59.5 0.2 . 1 . . . A 70 GLU CA . 19625 1 822 . 1 1 70 70 GLU CB C 13 29.7 0.2 . 1 . . . A 70 GLU CB . 19625 1 823 . 1 1 70 70 GLU CG C 13 35.97 0.2 . 1 . . . A 70 GLU CG . 19625 1 824 . 1 1 70 70 GLU N N 15 118.7 0.15 . 1 . . . A 70 GLU N . 19625 1 825 . 1 1 71 71 VAL H H 1 8.38 0.02 . 1 . . . A 71 VAL H . 19625 1 826 . 1 1 71 71 VAL HA H 1 3.48 0.02 . 1 . . . A 71 VAL HA . 19625 1 827 . 1 1 71 71 VAL HB H 1 2.22 0.02 . 1 . . . A 71 VAL HB . 19625 1 828 . 1 1 71 71 VAL HG11 H 1 0.68 0.02 . 2 . . . A 71 VAL HG11 . 19625 1 829 . 1 1 71 71 VAL HG12 H 1 0.68 0.02 . 2 . . . A 71 VAL HG12 . 19625 1 830 . 1 1 71 71 VAL HG13 H 1 0.68 0.02 . 2 . . . A 71 VAL HG13 . 19625 1 831 . 1 1 71 71 VAL HG21 H 1 0.48 0.02 . 2 . . . A 71 VAL HG21 . 19625 1 832 . 1 1 71 71 VAL HG22 H 1 0.48 0.02 . 2 . . . A 71 VAL HG22 . 19625 1 833 . 1 1 71 71 VAL HG23 H 1 0.48 0.02 . 2 . . . A 71 VAL HG23 . 19625 1 834 . 1 1 71 71 VAL C C 13 180.38 0.2 . 1 . . . A 71 VAL C . 19625 1 835 . 1 1 71 71 VAL CA C 13 66.1 0.2 . 1 . . . A 71 VAL CA . 19625 1 836 . 1 1 71 71 VAL CB C 13 32.2 0.2 . 1 . . . A 71 VAL CB . 19625 1 837 . 1 1 71 71 VAL CG1 C 13 22.11 0.2 . 2 . . . A 71 VAL CG1 . 19625 1 838 . 1 1 71 71 VAL CG2 C 13 22.92 0.2 . 2 . . . A 71 VAL CG2 . 19625 1 839 . 1 1 71 71 VAL N N 15 121.57 0.15 . 1 . . . A 71 VAL N . 19625 1 840 . 1 1 72 72 GLU H H 1 9.01 0.02 . 1 . . . A 72 GLU H . 19625 1 841 . 1 1 72 72 GLU HA H 1 3.56 0.02 . 1 . . . A 72 GLU HA . 19625 1 842 . 1 1 72 72 GLU HB2 H 1 1.84 0.02 . 2 . . . A 72 GLU HB2 . 19625 1 843 . 1 1 72 72 GLU HB3 H 1 1.84 0.02 . 2 . . . A 72 GLU HB3 . 19625 1 844 . 1 1 72 72 GLU HG2 H 1 1.97 0.02 . 2 . . . A 72 GLU HG2 . 19625 1 845 . 1 1 72 72 GLU HG3 H 1 2.37 0.02 . 2 . . . A 72 GLU HG3 . 19625 1 846 . 1 1 72 72 GLU C C 13 177.47 0.2 . 1 . . . A 72 GLU C . 19625 1 847 . 1 1 72 72 GLU CA C 13 60.8 0.2 . 1 . . . A 72 GLU CA . 19625 1 848 . 1 1 72 72 GLU CB C 13 30.44 0.2 . 1 . . . A 72 GLU CB . 19625 1 849 . 1 1 72 72 GLU CG C 13 38.39 0.2 . 1 . . . A 72 GLU CG . 19625 1 850 . 1 1 72 72 GLU N N 15 120.09 0.15 . 1 . . . A 72 GLU N . 19625 1 851 . 1 1 73 73 ALA H H 1 7.32 0.02 . 1 . . . A 73 ALA H . 19625 1 852 . 1 1 73 73 ALA HA H 1 4.12 0.02 . 1 . . . A 73 ALA HA . 19625 1 853 . 1 1 73 73 ALA HB1 H 1 1.32 0.02 . 2 . . . A 73 ALA HB1 . 19625 1 854 . 1 1 73 73 ALA HB2 H 1 1.32 0.02 . 2 . . . A 73 ALA HB2 . 19625 1 855 . 1 1 73 73 ALA HB3 H 1 1.32 0.02 . 2 . . . A 73 ALA HB3 . 19625 1 856 . 1 1 73 73 ALA C C 13 177.35 0.2 . 1 . . . A 73 ALA C . 19625 1 857 . 1 1 73 73 ALA CA C 13 53.4 0.2 . 1 . . . A 73 ALA CA . 19625 1 858 . 1 1 73 73 ALA CB C 13 20 0.2 . 1 . . . A 73 ALA CB . 19625 1 859 . 1 1 73 73 ALA N N 15 118.56 0.15 . 1 . . . A 73 ALA N . 19625 1 860 . 1 1 74 74 GLY H H 1 7.69 0.02 . 1 . . . A 74 GLY H . 19625 1 861 . 1 1 74 74 GLY HA2 H 1 4.05 0.02 . 2 . . . A 74 GLY HA2 . 19625 1 862 . 1 1 74 74 GLY HA3 H 1 3.8 0.02 . 2 . . . A 74 GLY HA3 . 19625 1 863 . 1 1 74 74 GLY C C 13 176.28 0.2 . 1 . . . A 74 GLY C . 19625 1 864 . 1 1 74 74 GLY CA C 13 46.5 0.2 . 1 . . . A 74 GLY CA . 19625 1 865 . 1 1 74 74 GLY N N 15 105.06 0.15 . 1 . . . A 74 GLY N . 19625 1 866 . 1 1 75 75 ASN H H 1 7.71 0.02 . 1 . . . A 75 ASN H . 19625 1 867 . 1 1 75 75 ASN HA H 1 4.7 0.02 . 1 . . . A 75 ASN HA . 19625 1 868 . 1 1 75 75 ASN HB2 H 1 2.62 0.02 . 2 . . . A 75 ASN HB2 . 19625 1 869 . 1 1 75 75 ASN HB3 H 1 3.04 0.02 . 2 . . . A 75 ASN HB3 . 19625 1 870 . 1 1 75 75 ASN HD21 H 1 6.62 0.02 . 2 . . . A 75 ASN HD21 . 19625 1 871 . 1 1 75 75 ASN HD22 H 1 7.97 0.02 . 2 . . . A 75 ASN HD22 . 19625 1 872 . 1 1 75 75 ASN C C 13 174.1 0.2 . 1 . . . A 75 ASN C . 19625 1 873 . 1 1 75 75 ASN CA C 13 54.4 0.2 . 1 . . . A 75 ASN CA . 19625 1 874 . 1 1 75 75 ASN CB C 13 40.6 0.2 . 1 . . . A 75 ASN CB . 19625 1 875 . 1 1 75 75 ASN N N 15 115.69 0.15 . 1 . . . A 75 ASN N . 19625 1 876 . 1 1 75 75 ASN ND2 N 15 112.67 0.15 . 1 . . . A 75 ASN ND2 . 19625 1 877 . 1 1 76 76 VAL H H 1 8.15 0.02 . 1 . . . A 76 VAL H . 19625 1 878 . 1 1 76 76 VAL HA H 1 3.95 0.02 . 1 . . . A 76 VAL HA . 19625 1 879 . 1 1 76 76 VAL HB H 1 1.62 0.02 . 1 . . . A 76 VAL HB . 19625 1 880 . 1 1 76 76 VAL HG11 H 1 0.37 0.02 . 2 . . . A 76 VAL HG11 . 19625 1 881 . 1 1 76 76 VAL HG12 H 1 0.37 0.02 . 2 . . . A 76 VAL HG12 . 19625 1 882 . 1 1 76 76 VAL HG13 H 1 0.37 0.02 . 2 . . . A 76 VAL HG13 . 19625 1 883 . 1 1 76 76 VAL HG21 H 1 0.37 0.02 . 2 . . . A 76 VAL HG21 . 19625 1 884 . 1 1 76 76 VAL HG22 H 1 0.37 0.02 . 2 . . . A 76 VAL HG22 . 19625 1 885 . 1 1 76 76 VAL HG23 H 1 0.37 0.02 . 2 . . . A 76 VAL HG23 . 19625 1 886 . 1 1 76 76 VAL C C 13 173.19 0.2 . 1 . . . A 76 VAL C . 19625 1 887 . 1 1 76 76 VAL CA C 13 62.7 0.2 . 1 . . . A 76 VAL CA . 19625 1 888 . 1 1 76 76 VAL CB C 13 34.2 0.2 . 1 . . . A 76 VAL CB . 19625 1 889 . 1 1 76 76 VAL CG1 C 13 22.19 0.2 . 2 . . . A 76 VAL CG1 . 19625 1 890 . 1 1 76 76 VAL CG2 C 13 23.12 0.2 . 2 . . . A 76 VAL CG2 . 19625 1 891 . 1 1 76 76 VAL N N 15 120.71 0.15 . 1 . . . A 76 VAL N . 19625 1 892 . 1 1 77 77 GLU H H 1 9.04 0.02 . 1 . . . A 77 GLU H . 19625 1 893 . 1 1 77 77 GLU HA H 1 4.32 0.02 . 1 . . . A 77 GLU HA . 19625 1 894 . 1 1 77 77 GLU HB2 H 1 1.68 0.02 . 2 . . . A 77 GLU HB2 . 19625 1 895 . 1 1 77 77 GLU HB3 H 1 1.81 0.02 . 2 . . . A 77 GLU HB3 . 19625 1 896 . 1 1 77 77 GLU HG2 H 1 2.06 0.02 . 2 . . . A 77 GLU HG2 . 19625 1 897 . 1 1 77 77 GLU HG3 H 1 2.06 0.02 . 2 . . . A 77 GLU HG3 . 19625 1 898 . 1 1 77 77 GLU C C 13 175.85 0.2 . 1 . . . A 77 GLU C . 19625 1 899 . 1 1 77 77 GLU CA C 13 58.6 0.2 . 1 . . . A 77 GLU CA . 19625 1 900 . 1 1 77 77 GLU CB C 13 32.1 0.2 . 1 . . . A 77 GLU CB . 19625 1 901 . 1 1 77 77 GLU CG C 13 36.94 0.2 . 1 . . . A 77 GLU CG . 19625 1 902 . 1 1 77 77 GLU N N 15 127.93 0.15 . 1 . . . A 77 GLU N . 19625 1 903 . 1 1 78 78 THR H H 1 7.15 0.02 . 1 . . . A 78 THR H . 19625 1 904 . 1 1 78 78 THR HA H 1 5.01 0.02 . 1 . . . A 78 THR HA . 19625 1 905 . 1 1 78 78 THR HB H 1 3.29 0.02 . 1 . . . A 78 THR HB . 19625 1 906 . 1 1 78 78 THR HG21 H 1 0.51 0.02 . 2 . . . A 78 THR HG21 . 19625 1 907 . 1 1 78 78 THR HG22 H 1 0.51 0.02 . 2 . . . A 78 THR HG22 . 19625 1 908 . 1 1 78 78 THR HG23 H 1 0.51 0.02 . 2 . . . A 78 THR HG23 . 19625 1 909 . 1 1 78 78 THR C C 13 170.34 0.2 . 1 . . . A 78 THR C . 19625 1 910 . 1 1 78 78 THR CA C 13 61.5 0.2 . 1 . . . A 78 THR CA . 19625 1 911 . 1 1 78 78 THR CB C 13 72.1 0.2 . 1 . . . A 78 THR CB . 19625 1 912 . 1 1 78 78 THR CG2 C 13 22.36 0.2 . 1 . . . A 78 THR CG2 . 19625 1 913 . 1 1 78 78 THR N N 15 115.08 0.15 . 1 . . . A 78 THR N . 19625 1 914 . 1 1 79 79 LEU H H 1 8.81 0.02 . 1 . . . A 79 LEU H . 19625 1 915 . 1 1 79 79 LEU HA H 1 5.11 0.02 . 1 . . . A 79 LEU HA . 19625 1 916 . 1 1 79 79 LEU HB2 H 1 0.52 0.02 . 2 . . . A 79 LEU HB2 . 19625 1 917 . 1 1 79 79 LEU HB3 H 1 1.12 0.02 . 2 . . . A 79 LEU HB3 . 19625 1 918 . 1 1 79 79 LEU HG H 1 1.22 0.02 . 1 . . . A 79 LEU HG . 19625 1 919 . 1 1 79 79 LEU HD11 H 1 0.3 0.02 . 2 . . . A 79 LEU HD11 . 19625 1 920 . 1 1 79 79 LEU HD12 H 1 0.3 0.02 . 2 . . . A 79 LEU HD12 . 19625 1 921 . 1 1 79 79 LEU HD13 H 1 0.3 0.02 . 2 . . . A 79 LEU HD13 . 19625 1 922 . 1 1 79 79 LEU HD21 H 1 0.36 0.02 . 2 . . . A 79 LEU HD21 . 19625 1 923 . 1 1 79 79 LEU HD22 H 1 0.36 0.02 . 2 . . . A 79 LEU HD22 . 19625 1 924 . 1 1 79 79 LEU HD23 H 1 0.36 0.02 . 2 . . . A 79 LEU HD23 . 19625 1 925 . 1 1 79 79 LEU C C 13 172.64 0.2 . 1 . . . A 79 LEU C . 19625 1 926 . 1 1 79 79 LEU CA C 13 54.2 0.2 . 1 . . . A 79 LEU CA . 19625 1 927 . 1 1 79 79 LEU CB C 13 46.3 0.2 . 1 . . . A 79 LEU CB . 19625 1 928 . 1 1 79 79 LEU CG C 13 29.22 0.2 . 1 . . . A 79 LEU CG . 19625 1 929 . 1 1 79 79 LEU CD1 C 13 26.54 0.2 . 2 . . . A 79 LEU CD1 . 19625 1 930 . 1 1 79 79 LEU CD2 C 13 27.04 0.2 . 2 . . . A 79 LEU CD2 . 19625 1 931 . 1 1 79 79 LEU N N 15 130.19 0.15 . 1 . . . A 79 LEU N . 19625 1 932 . 1 1 80 80 ILE H H 1 8.76 0.02 . 1 . . . A 80 ILE H . 19625 1 933 . 1 1 80 80 ILE HA H 1 4.89 0.02 . 1 . . . A 80 ILE HA . 19625 1 934 . 1 1 80 80 ILE HB H 1 1.36 0.02 . 1 . . . A 80 ILE HB . 19625 1 935 . 1 1 80 80 ILE HG12 H 1 0.39 0.02 . 2 . . . A 80 ILE HG12 . 19625 1 936 . 1 1 80 80 ILE HG13 H 1 1.05 0.02 . 2 . . . A 80 ILE HG13 . 19625 1 937 . 1 1 80 80 ILE HG21 H 1 0.4 0.02 . 2 . . . A 80 ILE HG21 . 19625 1 938 . 1 1 80 80 ILE HG22 H 1 0.4 0.02 . 2 . . . A 80 ILE HG22 . 19625 1 939 . 1 1 80 80 ILE HG23 H 1 0.4 0.02 . 2 . . . A 80 ILE HG23 . 19625 1 940 . 1 1 80 80 ILE HD11 H 1 0.12 0.02 . 2 . . . A 80 ILE HD11 . 19625 1 941 . 1 1 80 80 ILE HD12 H 1 0.12 0.02 . 2 . . . A 80 ILE HD12 . 19625 1 942 . 1 1 80 80 ILE HD13 H 1 0.12 0.02 . 2 . . . A 80 ILE HD13 . 19625 1 943 . 1 1 80 80 ILE C C 13 174.26 0.2 . 1 . . . A 80 ILE C . 19625 1 944 . 1 1 80 80 ILE CA C 13 60.5 0.2 . 1 . . . A 80 ILE CA . 19625 1 945 . 1 1 80 80 ILE CB C 13 40.6 0.2 . 1 . . . A 80 ILE CB . 19625 1 946 . 1 1 80 80 ILE CG1 C 13 28.37 0.2 . 1 . . . A 80 ILE CG1 . 19625 1 947 . 1 1 80 80 ILE CG2 C 13 19.11 0.2 . 1 . . . A 80 ILE CG2 . 19625 1 948 . 1 1 80 80 ILE CD1 C 13 13.4 0.2 . 1 . . . A 80 ILE CD1 . 19625 1 949 . 1 1 80 80 ILE N N 15 125.29 0.15 . 1 . . . A 80 ILE N . 19625 1 950 . 1 1 81 81 VAL H H 1 8.03 0.02 . 1 . . . A 81 VAL H . 19625 1 951 . 1 1 81 81 VAL HA H 1 4.91 0.02 . 1 . . . A 81 VAL HA . 19625 1 952 . 1 1 81 81 VAL HB H 1 2.17 0.02 . 1 . . . A 81 VAL HB . 19625 1 953 . 1 1 81 81 VAL HG11 H 1 0.71 0.02 . 2 . . . A 81 VAL HG11 . 19625 1 954 . 1 1 81 81 VAL HG12 H 1 0.71 0.02 . 2 . . . A 81 VAL HG12 . 19625 1 955 . 1 1 81 81 VAL HG13 H 1 0.71 0.02 . 2 . . . A 81 VAL HG13 . 19625 1 956 . 1 1 81 81 VAL HG21 H 1 1.18 0.02 . 2 . . . A 81 VAL HG21 . 19625 1 957 . 1 1 81 81 VAL HG22 H 1 1.18 0.02 . 2 . . . A 81 VAL HG22 . 19625 1 958 . 1 1 81 81 VAL HG23 H 1 1.18 0.02 . 2 . . . A 81 VAL HG23 . 19625 1 959 . 1 1 81 81 VAL C C 13 175.31 0.2 . 1 . . . A 81 VAL C . 19625 1 960 . 1 1 81 81 VAL CA C 13 59.1 0.2 . 1 . . . A 81 VAL CA . 19625 1 961 . 1 1 81 81 VAL CB C 13 37.6 0.2 . 1 . . . A 81 VAL CB . 19625 1 962 . 1 1 81 81 VAL CG1 C 13 21.39 0.2 . 2 . . . A 81 VAL CG1 . 19625 1 963 . 1 1 81 81 VAL CG2 C 13 24.28 0.2 . 2 . . . A 81 VAL CG2 . 19625 1 964 . 1 1 81 81 VAL N N 15 114.53 0.15 . 1 . . . A 81 VAL N . 19625 1 965 . 1 1 82 82 LYS H H 1 9.54 0.02 . 1 . . . A 82 LYS H . 19625 1 966 . 1 1 82 82 LYS HA H 1 3.65 0.02 . 1 . . . A 82 LYS HA . 19625 1 967 . 1 1 82 82 LYS HB2 H 1 1.59 0.02 . 2 . . . A 82 LYS HB2 . 19625 1 968 . 1 1 82 82 LYS HB3 H 1 1.59 0.02 . 2 . . . A 82 LYS HB3 . 19625 1 969 . 1 1 82 82 LYS HG2 H 1 1.1 0.02 . 2 . . . A 82 LYS HG2 . 19625 1 970 . 1 1 82 82 LYS HG3 H 1 1.1 0.02 . 2 . . . A 82 LYS HG3 . 19625 1 971 . 1 1 82 82 LYS HD2 H 1 1.35 0.02 . 2 . . . A 82 LYS HD2 . 19625 1 972 . 1 1 82 82 LYS HD3 H 1 1.17 0.02 . 2 . . . A 82 LYS HD3 . 19625 1 973 . 1 1 82 82 LYS HE2 H 1 2.12 0.02 . 2 . . . A 82 LYS HE2 . 19625 1 974 . 1 1 82 82 LYS HE3 H 1 2.31 0.02 . 2 . . . A 82 LYS HE3 . 19625 1 975 . 1 1 82 82 LYS C C 13 174.47 0.2 . 1 . . . A 82 LYS C . 19625 1 976 . 1 1 82 82 LYS CA C 13 61.5 0.2 . 1 . . . A 82 LYS CA . 19625 1 977 . 1 1 82 82 LYS CB C 13 34.3 0.2 . 1 . . . A 82 LYS CB . 19625 1 978 . 1 1 82 82 LYS CG C 13 26.23 0.2 . 1 . . . A 82 LYS CG . 19625 1 979 . 1 1 82 82 LYS CD C 13 31.13 0.2 . 1 . . . A 82 LYS CD . 19625 1 980 . 1 1 82 82 LYS CE C 13 42.27 0.2 . 1 . . . A 82 LYS CE . 19625 1 981 . 1 1 82 82 LYS N N 15 122.73 0.15 . 1 . . . A 82 LYS N . 19625 1 982 . 1 1 83 83 ASP H H 1 7.08 0.02 . 1 . . . A 83 ASP H . 19625 1 983 . 1 1 83 83 ASP HA H 1 4.56 0.02 . 1 . . . A 83 ASP HA . 19625 1 984 . 1 1 83 83 ASP HB2 H 1 2.72 0.02 . 2 . . . A 83 ASP HB2 . 19625 1 985 . 1 1 83 83 ASP HB3 H 1 2.77 0.02 . 2 . . . A 83 ASP HB3 . 19625 1 986 . 1 1 83 83 ASP C C 13 175.31 0.2 . 1 . . . A 83 ASP C . 19625 1 987 . 1 1 83 83 ASP CA C 13 53.8 0.2 . 1 . . . A 83 ASP CA . 19625 1 988 . 1 1 83 83 ASP CB C 13 44.4 0.2 . 1 . . . A 83 ASP CB . 19625 1 989 . 1 1 83 83 ASP N N 15 108.02 0.15 . 1 . . . A 83 ASP N . 19625 1 990 . 1 1 84 84 MET H H 1 9.29 0.02 . 1 . . . A 84 MET H . 19625 1 991 . 1 1 84 84 MET HA H 1 4.19 0.02 . 1 . . . A 84 MET HA . 19625 1 992 . 1 1 84 84 MET HB2 H 1 2.03 0.02 . 2 . . . A 84 MET HB2 . 19625 1 993 . 1 1 84 84 MET HB3 H 1 2.03 0.02 . 2 . . . A 84 MET HB3 . 19625 1 994 . 1 1 84 84 MET HG2 H 1 2.43 0.02 . 2 . . . A 84 MET HG2 . 19625 1 995 . 1 1 84 84 MET HG3 H 1 2.6 0.02 . 2 . . . A 84 MET HG3 . 19625 1 996 . 1 1 84 84 MET HE1 H 1 1.94 0.02 . 2 . . . A 84 MET HE1 . 19625 1 997 . 1 1 84 84 MET HE2 H 1 1.94 0.02 . 2 . . . A 84 MET HE2 . 19625 1 998 . 1 1 84 84 MET HE3 H 1 1.94 0.02 . 2 . . . A 84 MET HE3 . 19625 1 999 . 1 1 84 84 MET C C 13 177.91 0.2 . 1 . . . A 84 MET C . 19625 1 1000 . 1 1 84 84 MET CA C 13 59 0.2 . 1 . . . A 84 MET CA . 19625 1 1001 . 1 1 84 84 MET CB C 13 32.46 0.2 . 1 . . . A 84 MET CB . 19625 1 1002 . 1 1 84 84 MET CG C 13 32.93 0.2 . 1 . . . A 84 MET CG . 19625 1 1003 . 1 1 84 84 MET CE C 13 17.61 0.2 . 1 . . . A 84 MET CE . 19625 1 1004 . 1 1 84 84 MET N N 15 120.99 0.15 . 1 . . . A 84 MET N . 19625 1 1005 . 1 1 85 85 SER H H 1 8.52 0.02 . 1 . . . A 85 SER H . 19625 1 1006 . 1 1 85 85 SER HA H 1 4.31 0.02 . 1 . . . A 85 SER HA . 19625 1 1007 . 1 1 85 85 SER HB2 H 1 3.7 0.02 . 2 . . . A 85 SER HB2 . 19625 1 1008 . 1 1 85 85 SER HB3 H 1 3.91 0.02 . 2 . . . A 85 SER HB3 . 19625 1 1009 . 1 1 85 85 SER C C 13 177.01 0.2 . 1 . . . A 85 SER C . 19625 1 1010 . 1 1 85 85 SER CA C 13 61.7 0.2 . 1 . . . A 85 SER CA . 19625 1 1011 . 1 1 85 85 SER CB C 13 63.9 0.2 . 1 . . . A 85 SER CB . 19625 1 1012 . 1 1 85 85 SER N N 15 113.93 0.15 . 1 . . . A 85 SER N . 19625 1 1013 . 1 1 86 86 ARG H H 1 7.99 0.02 . 1 . . . A 86 ARG H . 19625 1 1014 . 1 1 86 86 ARG HA H 1 3.72 0.02 . 1 . . . A 86 ARG HA . 19625 1 1015 . 1 1 86 86 ARG HB2 H 1 1.83 0.02 . 2 . . . A 86 ARG HB2 . 19625 1 1016 . 1 1 86 86 ARG HB3 H 1 2.21 0.02 . 2 . . . A 86 ARG HB3 . 19625 1 1017 . 1 1 86 86 ARG HG2 H 1 2.13 0.02 . 2 . . . A 86 ARG HG2 . 19625 1 1018 . 1 1 86 86 ARG HG3 H 1 2.52 0.02 . 2 . . . A 86 ARG HG3 . 19625 1 1019 . 1 1 86 86 ARG HD2 H 1 3.18 0.02 . 2 . . . A 86 ARG HD2 . 19625 1 1020 . 1 1 86 86 ARG HD3 H 1 3.18 0.02 . 2 . . . A 86 ARG HD3 . 19625 1 1021 . 1 1 86 86 ARG C C 13 179.51 0.2 . 1 . . . A 86 ARG C . 19625 1 1022 . 1 1 86 86 ARG CA C 13 59.36 0.2 . 1 . . . A 86 ARG CA . 19625 1 1023 . 1 1 86 86 ARG CB C 13 33.58 0.2 . 1 . . . A 86 ARG CB . 19625 1 1024 . 1 1 86 86 ARG CG C 13 25.82 0.2 . 1 . . . A 86 ARG CG . 19625 1 1025 . 1 1 86 86 ARG CD C 13 44.65 0.2 . 1 . . . A 86 ARG CD . 19625 1 1026 . 1 1 86 86 ARG N N 15 120.92 0.15 . 1 . . . A 86 ARG N . 19625 1 1027 . 1 1 87 87 LEU H H 1 7.4 0.02 . 1 . . . A 87 LEU H . 19625 1 1028 . 1 1 87 87 LEU HA H 1 3.91 0.02 . 1 . . . A 87 LEU HA . 19625 1 1029 . 1 1 87 87 LEU HB2 H 1 1.77 0.02 . 2 . . . A 87 LEU HB2 . 19625 1 1030 . 1 1 87 87 LEU HB3 H 1 1.77 0.02 . 2 . . . A 87 LEU HB3 . 19625 1 1031 . 1 1 87 87 LEU HG H 1 1.63 0.02 . 1 . . . A 87 LEU HG . 19625 1 1032 . 1 1 87 87 LEU HD11 H 1 0.75 0.02 . 2 . . . A 87 LEU HD11 . 19625 1 1033 . 1 1 87 87 LEU HD12 H 1 0.75 0.02 . 2 . . . A 87 LEU HD12 . 19625 1 1034 . 1 1 87 87 LEU HD13 H 1 0.75 0.02 . 2 . . . A 87 LEU HD13 . 19625 1 1035 . 1 1 87 87 LEU HD21 H 1 0.68 0.02 . 2 . . . A 87 LEU HD21 . 19625 1 1036 . 1 1 87 87 LEU HD22 H 1 0.68 0.02 . 2 . . . A 87 LEU HD22 . 19625 1 1037 . 1 1 87 87 LEU HD23 H 1 0.68 0.02 . 2 . . . A 87 LEU HD23 . 19625 1 1038 . 1 1 87 87 LEU C C 13 177.08 0.2 . 1 . . . A 87 LEU C . 19625 1 1039 . 1 1 87 87 LEU CA C 13 59.1 0.2 . 1 . . . A 87 LEU CA . 19625 1 1040 . 1 1 87 87 LEU CB C 13 43.7 0.2 . 1 . . . A 87 LEU CB . 19625 1 1041 . 1 1 87 87 LEU CG C 13 28.41 0.2 . 1 . . . A 87 LEU CG . 19625 1 1042 . 1 1 87 87 LEU CD1 C 13 26.59 0.2 . 2 . . . A 87 LEU CD1 . 19625 1 1043 . 1 1 87 87 LEU CD2 C 13 25.74 0.2 . 2 . . . A 87 LEU CD2 . 19625 1 1044 . 1 1 87 87 LEU N N 15 117.29 0.15 . 1 . . . A 87 LEU N . 19625 1 1045 . 1 1 88 88 GLY H H 1 7.43 0.02 . 1 . . . A 88 GLY H . 19625 1 1046 . 1 1 88 88 GLY HA2 H 1 3.6 0.02 . 2 . . . A 88 GLY HA2 . 19625 1 1047 . 1 1 88 88 GLY HA3 H 1 3.42 0.02 . 2 . . . A 88 GLY HA3 . 19625 1 1048 . 1 1 88 88 GLY C C 13 169.84 0.2 . 1 . . . A 88 GLY C . 19625 1 1049 . 1 1 88 88 GLY CA C 13 46.2 0.2 . 1 . . . A 88 GLY CA . 19625 1 1050 . 1 1 88 88 GLY N N 15 102.42 0.15 . 1 . . . A 88 GLY N . 19625 1 1051 . 1 1 89 89 ARG H H 1 7.16 0.02 . 1 . . . A 89 ARG H . 19625 1 1052 . 1 1 89 89 ARG HA H 1 4.04 0.02 . 1 . . . A 89 ARG HA . 19625 1 1053 . 1 1 89 89 ARG HB2 H 1 1.12 0.02 . 2 . . . A 89 ARG HB2 . 19625 1 1054 . 1 1 89 89 ARG HB3 H 1 1.62 0.02 . 2 . . . A 89 ARG HB3 . 19625 1 1055 . 1 1 89 89 ARG HG2 H 1 1.26 0.02 . 2 . . . A 89 ARG HG2 . 19625 1 1056 . 1 1 89 89 ARG HG3 H 1 1.26 0.02 . 2 . . . A 89 ARG HG3 . 19625 1 1057 . 1 1 89 89 ARG HD2 H 1 2.91 0.02 . 2 . . . A 89 ARG HD2 . 19625 1 1058 . 1 1 89 89 ARG HD3 H 1 2.95 0.02 . 2 . . . A 89 ARG HD3 . 19625 1 1059 . 1 1 89 89 ARG C C 13 177.54 0.2 . 1 . . . A 89 ARG C . 19625 1 1060 . 1 1 89 89 ARG CA C 13 57 0.2 . 1 . . . A 89 ARG CA . 19625 1 1061 . 1 1 89 89 ARG CB C 13 32.61 0.2 . 1 . . . A 89 ARG CB . 19625 1 1062 . 1 1 89 89 ARG CG C 13 27.96 0.2 . 1 . . . A 89 ARG CG . 19625 1 1063 . 1 1 89 89 ARG CD C 13 43.85 0.2 . 1 . . . A 89 ARG CD . 19625 1 1064 . 1 1 89 89 ARG N N 15 115.91 0.15 . 1 . . . A 89 ARG N . 19625 1 1065 . 1 1 90 90 ASN H H 1 7.93 0.02 . 1 . . . A 90 ASN H . 19625 1 1066 . 1 1 90 90 ASN HA H 1 4.62 0.02 . 1 . . . A 90 ASN HA . 19625 1 1067 . 1 1 90 90 ASN HB2 H 1 2.58 0.02 . 2 . . . A 90 ASN HB2 . 19625 1 1068 . 1 1 90 90 ASN HB3 H 1 2.82 0.02 . 2 . . . A 90 ASN HB3 . 19625 1 1069 . 1 1 90 90 ASN HD21 H 1 6.81 0.02 . 2 . . . A 90 ASN HD21 . 19625 1 1070 . 1 1 90 90 ASN HD22 H 1 7.49 0.02 . 2 . . . A 90 ASN HD22 . 19625 1 1071 . 1 1 90 90 ASN C C 13 175.42 0.2 . 1 . . . A 90 ASN C . 19625 1 1072 . 1 1 90 90 ASN CA C 13 53.35 0.2 . 1 . . . A 90 ASN CA . 19625 1 1073 . 1 1 90 90 ASN CB C 13 39.46 0.2 . 1 . . . A 90 ASN CB . 19625 1 1074 . 1 1 90 90 ASN N N 15 117.42 0.15 . 1 . . . A 90 ASN N . 19625 1 1075 . 1 1 90 90 ASN ND2 N 15 112.75 0.15 . 1 . . . A 90 ASN ND2 . 19625 1 1076 . 1 1 91 91 TYR H H 1 8.59 0.02 . 1 . . . A 91 TYR H . 19625 1 1077 . 1 1 91 91 TYR HA H 1 3.99 0.02 . 1 . . . A 91 TYR HA . 19625 1 1078 . 1 1 91 91 TYR HB2 H 1 2.87 0.02 . 2 . . . A 91 TYR HB2 . 19625 1 1079 . 1 1 91 91 TYR HB3 H 1 2.94 0.02 . 2 . . . A 91 TYR HB3 . 19625 1 1080 . 1 1 91 91 TYR HD1 H 1 6.9 0.02 . 3 . . . A 91 TYR HD1 . 19625 1 1081 . 1 1 91 91 TYR HD2 H 1 6.9 0.02 . 3 . . . A 91 TYR HD2 . 19625 1 1082 . 1 1 91 91 TYR HE1 H 1 6.65 0.02 . 3 . . . A 91 TYR HE1 . 19625 1 1083 . 1 1 91 91 TYR HE2 H 1 6.65 0.02 . 3 . . . A 91 TYR HE2 . 19625 1 1084 . 1 1 91 91 TYR C C 13 177.47 0.2 . 1 . . . A 91 TYR C . 19625 1 1085 . 1 1 91 91 TYR CA C 13 61.97 0.2 . 1 . . . A 91 TYR CA . 19625 1 1086 . 1 1 91 91 TYR CB C 13 38.29 0.2 . 1 . . . A 91 TYR CB . 19625 1 1087 . 1 1 91 91 TYR CD1 C 13 133.61 0.2 . 3 . . . A 91 TYR CD1 . 19625 1 1088 . 1 1 91 91 TYR CE1 C 13 119.28 0.2 . 3 . . . A 91 TYR CE1 . 19625 1 1089 . 1 1 91 91 TYR N N 15 126.42 0.15 . 1 . . . A 91 TYR N . 19625 1 1090 . 1 1 92 92 LEU H H 1 7.86 0.02 . 1 . . . A 92 LEU H . 19625 1 1091 . 1 1 92 92 LEU HA H 1 3.84 0.02 . 1 . . . A 92 LEU HA . 19625 1 1092 . 1 1 92 92 LEU HB2 H 1 1.53 0.02 . 2 . . . A 92 LEU HB2 . 19625 1 1093 . 1 1 92 92 LEU HB3 H 1 1.3 0.02 . 2 . . . A 92 LEU HB3 . 19625 1 1094 . 1 1 92 92 LEU HG H 1 1.28 0.02 . 1 . . . A 92 LEU HG . 19625 1 1095 . 1 1 92 92 LEU HD11 H 1 0.64 0.02 . 2 . . . A 92 LEU HD11 . 19625 1 1096 . 1 1 92 92 LEU HD12 H 1 0.64 0.02 . 2 . . . A 92 LEU HD12 . 19625 1 1097 . 1 1 92 92 LEU HD13 H 1 0.64 0.02 . 2 . . . A 92 LEU HD13 . 19625 1 1098 . 1 1 92 92 LEU HD21 H 1 0.7 0.02 . 2 . . . A 92 LEU HD21 . 19625 1 1099 . 1 1 92 92 LEU HD22 H 1 0.7 0.02 . 2 . . . A 92 LEU HD22 . 19625 1 1100 . 1 1 92 92 LEU HD23 H 1 0.7 0.02 . 2 . . . A 92 LEU HD23 . 19625 1 1101 . 1 1 92 92 LEU C C 13 179.58 0.2 . 1 . . . A 92 LEU C . 19625 1 1102 . 1 1 92 92 LEU CA C 13 58.5 0.2 . 1 . . . A 92 LEU CA . 19625 1 1103 . 1 1 92 92 LEU CB C 13 42.2 0.2 . 1 . . . A 92 LEU CB . 19625 1 1104 . 1 1 92 92 LEU CG C 13 27.78 0.2 . 1 . . . A 92 LEU CG . 19625 1 1105 . 1 1 92 92 LEU CD1 C 13 24.49 0.2 . 2 . . . A 92 LEU CD1 . 19625 1 1106 . 1 1 92 92 LEU CD2 C 13 25.73 0.2 . 2 . . . A 92 LEU CD2 . 19625 1 1107 . 1 1 92 92 LEU N N 15 121.09 0.15 . 1 . . . A 92 LEU N . 19625 1 1108 . 1 1 93 93 GLN H H 1 7.35 0.02 . 1 . . . A 93 GLN H . 19625 1 1109 . 1 1 93 93 GLN HA H 1 3.94 0.02 . 1 . . . A 93 GLN HA . 19625 1 1110 . 1 1 93 93 GLN HB2 H 1 1.99 0.02 . 2 . . . A 93 GLN HB2 . 19625 1 1111 . 1 1 93 93 GLN HB3 H 1 1.99 0.02 . 2 . . . A 93 GLN HB3 . 19625 1 1112 . 1 1 93 93 GLN HG2 H 1 2.14 0.02 . 2 . . . A 93 GLN HG2 . 19625 1 1113 . 1 1 93 93 GLN HG3 H 1 2.14 0.02 . 2 . . . A 93 GLN HG3 . 19625 1 1114 . 1 1 93 93 GLN C C 13 178.63 0.2 . 1 . . . A 93 GLN C . 19625 1 1115 . 1 1 93 93 GLN CA C 13 58.8 0.2 . 1 . . . A 93 GLN CA . 19625 1 1116 . 1 1 93 93 GLN CB C 13 30.1 0.2 . 1 . . . A 93 GLN CB . 19625 1 1117 . 1 1 93 93 GLN CG C 13 34.87 0.2 . 1 . . . A 93 GLN CG . 19625 1 1118 . 1 1 93 93 GLN N N 15 117.49 0.15 . 1 . . . A 93 GLN N . 19625 1 1119 . 1 1 94 94 VAL H H 1 8.23 0.02 . 1 . . . A 94 VAL H . 19625 1 1120 . 1 1 94 94 VAL HA H 1 3.52 0.02 . 1 . . . A 94 VAL HA . 19625 1 1121 . 1 1 94 94 VAL HB H 1 1.88 0.02 . 1 . . . A 94 VAL HB . 19625 1 1122 . 1 1 94 94 VAL HG11 H 1 0.77 0.02 . 2 . . . A 94 VAL HG11 . 19625 1 1123 . 1 1 94 94 VAL HG12 H 1 0.77 0.02 . 2 . . . A 94 VAL HG12 . 19625 1 1124 . 1 1 94 94 VAL HG13 H 1 0.77 0.02 . 2 . . . A 94 VAL HG13 . 19625 1 1125 . 1 1 94 94 VAL HG21 H 1 0.77 0.02 . 2 . . . A 94 VAL HG21 . 19625 1 1126 . 1 1 94 94 VAL HG22 H 1 0.77 0.02 . 2 . . . A 94 VAL HG22 . 19625 1 1127 . 1 1 94 94 VAL HG23 H 1 0.77 0.02 . 2 . . . A 94 VAL HG23 . 19625 1 1128 . 1 1 94 94 VAL C C 13 177.42 0.2 . 1 . . . A 94 VAL C . 19625 1 1129 . 1 1 94 94 VAL CA C 13 67.5 0.2 . 1 . . . A 94 VAL CA . 19625 1 1130 . 1 1 94 94 VAL CB C 13 32.8 0.2 . 1 . . . A 94 VAL CB . 19625 1 1131 . 1 1 94 94 VAL CG1 C 13 23.35 0.2 . 2 . . . A 94 VAL CG1 . 19625 1 1132 . 1 1 94 94 VAL CG2 C 13 23.09 0.2 . 2 . . . A 94 VAL CG2 . 19625 1 1133 . 1 1 94 94 VAL N N 15 118.58 0.15 . 1 . . . A 94 VAL N . 19625 1 1134 . 1 1 95 95 GLY H H 1 7.76 0.02 . 1 . . . A 95 GLY H . 19625 1 1135 . 1 1 95 95 GLY HA2 H 1 3.82 0.02 . 2 . . . A 95 GLY HA2 . 19625 1 1136 . 1 1 95 95 GLY HA3 H 1 3.42 0.02 . 2 . . . A 95 GLY HA3 . 19625 1 1137 . 1 1 95 95 GLY C C 13 174.81 0.2 . 1 . . . A 95 GLY C . 19625 1 1138 . 1 1 95 95 GLY CA C 13 46.8 0.2 . 1 . . . A 95 GLY CA . 19625 1 1139 . 1 1 95 95 GLY N N 15 106.45 0.15 . 1 . . . A 95 GLY N . 19625 1 1140 . 1 1 96 96 PHE H H 1 7 0.02 . 1 . . . A 96 PHE H . 19625 1 1141 . 1 1 96 96 PHE HA H 1 3.79 0.02 . 1 . . . A 96 PHE HA . 19625 1 1142 . 1 1 96 96 PHE HB2 H 1 2.16 0.02 . 2 . . . A 96 PHE HB2 . 19625 1 1143 . 1 1 96 96 PHE HB3 H 1 2.85 0.02 . 2 . . . A 96 PHE HB3 . 19625 1 1144 . 1 1 96 96 PHE HD1 H 1 6.05 0.02 . 3 . . . A 96 PHE HD1 . 19625 1 1145 . 1 1 96 96 PHE HD2 H 1 6.05 0.02 . 3 . . . A 96 PHE HD2 . 19625 1 1146 . 1 1 96 96 PHE HE1 H 1 6.81 0.02 . 3 . . . A 96 PHE HE1 . 19625 1 1147 . 1 1 96 96 PHE HE2 H 1 6.81 0.02 . 3 . . . A 96 PHE HE2 . 19625 1 1148 . 1 1 96 96 PHE C C 13 176.78 0.2 . 1 . . . A 96 PHE C . 19625 1 1149 . 1 1 96 96 PHE CA C 13 62.1 0.2 . 1 . . . A 96 PHE CA . 19625 1 1150 . 1 1 96 96 PHE CB C 13 39.3 0.2 . 1 . . . A 96 PHE CB . 19625 1 1151 . 1 1 96 96 PHE CD1 C 13 131.92 0.2 . 3 . . . A 96 PHE CD1 . 19625 1 1152 . 1 1 96 96 PHE CE1 C 13 131.73 0.2 . 3 . . . A 96 PHE CE1 . 19625 1 1153 . 1 1 96 96 PHE N N 15 120.59 0.15 . 1 . . . A 96 PHE N . 19625 1 1154 . 1 1 97 97 TYR H H 1 7.03 0.02 . 1 . . . A 97 TYR H . 19625 1 1155 . 1 1 97 97 TYR HA H 1 2.93 0.02 . 1 . . . A 97 TYR HA . 19625 1 1156 . 1 1 97 97 TYR HB2 H 1 1.63 0.02 . 2 . . . A 97 TYR HB2 . 19625 1 1157 . 1 1 97 97 TYR HB3 H 1 2.29 0.02 . 2 . . . A 97 TYR HB3 . 19625 1 1158 . 1 1 97 97 TYR HD1 H 1 6.54 0.02 . 3 . . . A 97 TYR HD1 . 19625 1 1159 . 1 1 97 97 TYR HD2 H 1 6.54 0.02 . 3 . . . A 97 TYR HD2 . 19625 1 1160 . 1 1 97 97 TYR HE1 H 1 5.93 0.02 . 3 . . . A 97 TYR HE1 . 19625 1 1161 . 1 1 97 97 TYR HE2 H 1 5.93 0.02 . 3 . . . A 97 TYR HE2 . 19625 1 1162 . 1 1 97 97 TYR C C 13 175.5 0.2 . 1 . . . A 97 TYR C . 19625 1 1163 . 1 1 97 97 TYR CA C 13 62.7 0.2 . 1 . . . A 97 TYR CA . 19625 1 1164 . 1 1 97 97 TYR CB C 13 37.8 0.2 . 1 . . . A 97 TYR CB . 19625 1 1165 . 1 1 97 97 TYR CD1 C 13 133.14 0.2 . 3 . . . A 97 TYR CD1 . 19625 1 1166 . 1 1 97 97 TYR CE1 C 13 119.17 0.2 . 3 . . . A 97 TYR CE1 . 19625 1 1167 . 1 1 97 97 TYR N N 15 116.7 0.15 . 1 . . . A 97 TYR N . 19625 1 1168 . 1 1 98 98 THR H H 1 7.54 0.02 . 1 . . . A 98 THR H . 19625 1 1169 . 1 1 98 98 THR HA H 1 3.39 0.02 . 1 . . . A 98 THR HA . 19625 1 1170 . 1 1 98 98 THR HB H 1 3.82 0.02 . 1 . . . A 98 THR HB . 19625 1 1171 . 1 1 98 98 THR HG21 H 1 0.35 0.02 . 2 . . . A 98 THR HG21 . 19625 1 1172 . 1 1 98 98 THR HG22 H 1 0.35 0.02 . 2 . . . A 98 THR HG22 . 19625 1 1173 . 1 1 98 98 THR HG23 H 1 0.35 0.02 . 2 . . . A 98 THR HG23 . 19625 1 1174 . 1 1 98 98 THR C C 13 176.83 0.2 . 1 . . . A 98 THR C . 19625 1 1175 . 1 1 98 98 THR CA C 13 65.2 0.2 . 1 . . . A 98 THR CA . 19625 1 1176 . 1 1 98 98 THR CB C 13 68.8 0.2 . 1 . . . A 98 THR CB . 19625 1 1177 . 1 1 98 98 THR CG2 C 13 23.25 0.2 . 1 . . . A 98 THR CG2 . 19625 1 1178 . 1 1 98 98 THR N N 15 104.71 0.15 . 1 . . . A 98 THR N . 19625 1 1179 . 1 1 99 99 GLU H H 1 8.39 0.02 . 1 . . . A 99 GLU H . 19625 1 1180 . 1 1 99 99 GLU HA H 1 4.21 0.02 . 1 . . . A 99 GLU HA . 19625 1 1181 . 1 1 99 99 GLU HB2 H 1 1.79 0.02 . 2 . . . A 99 GLU HB2 . 19625 1 1182 . 1 1 99 99 GLU HB3 H 1 1.79 0.02 . 2 . . . A 99 GLU HB3 . 19625 1 1183 . 1 1 99 99 GLU HG2 H 1 1.99 0.02 . 2 . . . A 99 GLU HG2 . 19625 1 1184 . 1 1 99 99 GLU HG3 H 1 2.15 0.02 . 2 . . . A 99 GLU HG3 . 19625 1 1185 . 1 1 99 99 GLU C C 13 176.82 0.2 . 1 . . . A 99 GLU C . 19625 1 1186 . 1 1 99 99 GLU CA C 13 57.2 0.2 . 1 . . . A 99 GLU CA . 19625 1 1187 . 1 1 99 99 GLU CB C 13 30.7 0.2 . 1 . . . A 99 GLU CB . 19625 1 1188 . 1 1 99 99 GLU CG C 13 37.01 0.2 . 1 . . . A 99 GLU CG . 19625 1 1189 . 1 1 99 99 GLU N N 15 116.67 0.15 . 1 . . . A 99 GLU N . 19625 1 1190 . 1 1 100 100 VAL H H 1 6.59 0.02 . 1 . . . A 100 VAL H . 19625 1 1191 . 1 1 100 100 VAL HA H 1 3.82 0.02 . 1 . . . A 100 VAL HA . 19625 1 1192 . 1 1 100 100 VAL HB H 1 1.65 0.02 . 1 . . . A 100 VAL HB . 19625 1 1193 . 1 1 100 100 VAL HG11 H 1 0.54 0.02 . 2 . . . A 100 VAL HG11 . 19625 1 1194 . 1 1 100 100 VAL HG12 H 1 0.54 0.02 . 2 . . . A 100 VAL HG12 . 19625 1 1195 . 1 1 100 100 VAL HG13 H 1 0.54 0.02 . 2 . . . A 100 VAL HG13 . 19625 1 1196 . 1 1 100 100 VAL HG21 H 1 0.46 0.02 . 2 . . . A 100 VAL HG21 . 19625 1 1197 . 1 1 100 100 VAL HG22 H 1 0.46 0.02 . 2 . . . A 100 VAL HG22 . 19625 1 1198 . 1 1 100 100 VAL HG23 H 1 0.46 0.02 . 2 . . . A 100 VAL HG23 . 19625 1 1199 . 1 1 100 100 VAL C C 13 176.2 0.2 . 1 . . . A 100 VAL C . 19625 1 1200 . 1 1 100 100 VAL CA C 13 65 0.2 . 1 . . . A 100 VAL CA . 19625 1 1201 . 1 1 100 100 VAL CB C 13 32.7 0.2 . 1 . . . A 100 VAL CB . 19625 1 1202 . 1 1 100 100 VAL CG1 C 13 21.14 0.2 . 2 . . . A 100 VAL CG1 . 19625 1 1203 . 1 1 100 100 VAL CG2 C 13 21.53 0.2 . 2 . . . A 100 VAL CG2 . 19625 1 1204 . 1 1 100 100 VAL N N 15 117.33 0.15 . 1 . . . A 100 VAL N . 19625 1 1205 . 1 1 101 101 LEU H H 1 7.18 0.02 . 1 . . . A 101 LEU H . 19625 1 1206 . 1 1 101 101 LEU HA H 1 3.62 0.02 . 1 . . . A 101 LEU HA . 19625 1 1207 . 1 1 101 101 LEU HB2 H 1 0.62 0.02 . 2 . . . A 101 LEU HB2 . 19625 1 1208 . 1 1 101 101 LEU HB3 H 1 1.15 0.02 . 2 . . . A 101 LEU HB3 . 19625 1 1209 . 1 1 101 101 LEU HG H 1 0.87 0.02 . 1 . . . A 101 LEU HG . 19625 1 1210 . 1 1 101 101 LEU HD11 H 1 0.75 0.02 . 2 . . . A 101 LEU HD11 . 19625 1 1211 . 1 1 101 101 LEU HD12 H 1 0.75 0.02 . 2 . . . A 101 LEU HD12 . 19625 1 1212 . 1 1 101 101 LEU HD13 H 1 0.75 0.02 . 2 . . . A 101 LEU HD13 . 19625 1 1213 . 1 1 101 101 LEU HD21 H 1 0.75 0.02 . 2 . . . A 101 LEU HD21 . 19625 1 1214 . 1 1 101 101 LEU HD22 H 1 0.75 0.02 . 2 . . . A 101 LEU HD22 . 19625 1 1215 . 1 1 101 101 LEU HD23 H 1 0.75 0.02 . 2 . . . A 101 LEU HD23 . 19625 1 1216 . 1 1 101 101 LEU C C 13 177.51 0.2 . 1 . . . A 101 LEU C . 19625 1 1217 . 1 1 101 101 LEU CA C 13 59.7 0.2 . 1 . . . A 101 LEU CA . 19625 1 1218 . 1 1 101 101 LEU CB C 13 43.11 0.2 . 1 . . . A 101 LEU CB . 19625 1 1219 . 1 1 101 101 LEU CG C 13 27.19 0.2 . 1 . . . A 101 LEU CG . 19625 1 1220 . 1 1 101 101 LEU CD1 C 13 24.28 0.2 . 2 . . . A 101 LEU CD1 . 19625 1 1221 . 1 1 101 101 LEU CD2 C 13 24.26 0.2 . 2 . . . A 101 LEU CD2 . 19625 1 1222 . 1 1 101 101 LEU N N 15 120.39 0.15 . 1 . . . A 101 LEU N . 19625 1 1223 . 1 1 102 102 PHE H H 1 8.66 0.02 . 1 . . . A 102 PHE H . 19625 1 1224 . 1 1 102 102 PHE HA H 1 4.35 0.02 . 1 . . . A 102 PHE HA . 19625 1 1225 . 1 1 102 102 PHE HB2 H 1 3.1 0.02 . 2 . . . A 102 PHE HB2 . 19625 1 1226 . 1 1 102 102 PHE HB3 H 1 3.17 0.02 . 2 . . . A 102 PHE HB3 . 19625 1 1227 . 1 1 102 102 PHE HD1 H 1 6.54 0.02 . 3 . . . A 102 PHE HD1 . 19625 1 1228 . 1 1 102 102 PHE HD2 H 1 6.54 0.02 . 3 . . . A 102 PHE HD2 . 19625 1 1229 . 1 1 102 102 PHE HE1 H 1 6.45 0.02 . 3 . . . A 102 PHE HE1 . 19625 1 1230 . 1 1 102 102 PHE HE2 H 1 6.45 0.02 . 3 . . . A 102 PHE HE2 . 19625 1 1231 . 1 1 102 102 PHE CA C 13 59.61 0.2 . 1 . . . A 102 PHE CA . 19625 1 1232 . 1 1 102 102 PHE CB C 13 33.77 0.2 . 1 . . . A 102 PHE CB . 19625 1 1233 . 1 1 102 102 PHE CD1 C 13 130.27 0.2 . 3 . . . A 102 PHE CD1 . 19625 1 1234 . 1 1 102 102 PHE CE1 C 13 130.61 0.2 . 3 . . . A 102 PHE CE1 . 19625 1 1235 . 1 1 102 102 PHE N N 15 114.03 0.15 . 1 . . . A 102 PHE N . 19625 1 1236 . 1 1 103 103 PRO HA H 1 4.23 0.02 . 1 . . . A 103 PRO HA . 19625 1 1237 . 1 1 103 103 PRO HB2 H 1 1.56 0.02 . 2 . . . A 103 PRO HB2 . 19625 1 1238 . 1 1 103 103 PRO HB3 H 1 2.18 0.02 . 2 . . . A 103 PRO HB3 . 19625 1 1239 . 1 1 103 103 PRO HG2 H 1 1.69 0.02 . 2 . . . A 103 PRO HG2 . 19625 1 1240 . 1 1 103 103 PRO HG3 H 1 1.69 0.02 . 2 . . . A 103 PRO HG3 . 19625 1 1241 . 1 1 103 103 PRO HD2 H 1 3.34 0.02 . 2 . . . A 103 PRO HD2 . 19625 1 1242 . 1 1 103 103 PRO HD3 H 1 2.85 0.02 . 2 . . . A 103 PRO HD3 . 19625 1 1243 . 1 1 103 103 PRO C C 13 180.71 0.2 . 1 . . . A 103 PRO C . 19625 1 1244 . 1 1 103 103 PRO CA C 13 66.8 0.2 . 1 . . . A 103 PRO CA . 19625 1 1245 . 1 1 103 103 PRO CB C 13 31.66 0.2 . 1 . . . A 103 PRO CB . 19625 1 1246 . 1 1 103 103 PRO CG C 13 29.13 0.2 . 1 . . . A 103 PRO CG . 19625 1 1247 . 1 1 103 103 PRO CD C 13 51.05 0.2 . 1 . . . A 103 PRO CD . 19625 1 1248 . 1 1 104 104 GLN H H 1 7.29 0.02 . 1 . . . A 104 GLN H . 19625 1 1249 . 1 1 104 104 GLN HA H 1 3.88 0.02 . 1 . . . A 104 GLN HA . 19625 1 1250 . 1 1 104 104 GLN HB2 H 1 2.09 0.02 . 2 . . . A 104 GLN HB2 . 19625 1 1251 . 1 1 104 104 GLN HB3 H 1 1.97 0.02 . 2 . . . A 104 GLN HB3 . 19625 1 1252 . 1 1 104 104 GLN HG2 H 1 2.4 0.02 . 2 . . . A 104 GLN HG2 . 19625 1 1253 . 1 1 104 104 GLN HG3 H 1 2.18 0.02 . 2 . . . A 104 GLN HG3 . 19625 1 1254 . 1 1 104 104 GLN C C 13 177.7 0.2 . 1 . . . A 104 GLN C . 19625 1 1255 . 1 1 104 104 GLN CA C 13 59.7 0.2 . 1 . . . A 104 GLN CA . 19625 1 1256 . 1 1 104 104 GLN CB C 13 29.4 0.2 . 1 . . . A 104 GLN CB . 19625 1 1257 . 1 1 104 104 GLN CG C 13 35.28 0.2 . 1 . . . A 104 GLN CG . 19625 1 1258 . 1 1 104 104 GLN N N 15 117.11 0.15 . 1 . . . A 104 GLN N . 19625 1 1259 . 1 1 105 105 LYS H H 1 7.65 0.02 . 1 . . . A 105 LYS H . 19625 1 1260 . 1 1 105 105 LYS HA H 1 4.32 0.02 . 1 . . . A 105 LYS HA . 19625 1 1261 . 1 1 105 105 LYS HB2 H 1 1.48 0.02 . 2 . . . A 105 LYS HB2 . 19625 1 1262 . 1 1 105 105 LYS HB3 H 1 1.92 0.02 . 2 . . . A 105 LYS HB3 . 19625 1 1263 . 1 1 105 105 LYS HG2 H 1 1.32 0.02 . 2 . . . A 105 LYS HG2 . 19625 1 1264 . 1 1 105 105 LYS HG3 H 1 1.05 0.02 . 2 . . . A 105 LYS HG3 . 19625 1 1265 . 1 1 105 105 LYS HD2 H 1 1.5 0.02 . 2 . . . A 105 LYS HD2 . 19625 1 1266 . 1 1 105 105 LYS HD3 H 1 1.5 0.02 . 2 . . . A 105 LYS HD3 . 19625 1 1267 . 1 1 105 105 LYS HE2 H 1 2.79 0.02 . 2 . . . A 105 LYS HE2 . 19625 1 1268 . 1 1 105 105 LYS HE3 H 1 2.79 0.02 . 2 . . . A 105 LYS HE3 . 19625 1 1269 . 1 1 105 105 LYS C C 13 174.88 0.2 . 1 . . . A 105 LYS C . 19625 1 1270 . 1 1 105 105 LYS CA C 13 53.8 0.2 . 1 . . . A 105 LYS CA . 19625 1 1271 . 1 1 105 105 LYS CB C 13 31.7 0.2 . 1 . . . A 105 LYS CB . 19625 1 1272 . 1 1 105 105 LYS CG C 13 25.19 0.2 . 1 . . . A 105 LYS CG . 19625 1 1273 . 1 1 105 105 LYS CD C 13 27.68 0.2 . 1 . . . A 105 LYS CD . 19625 1 1274 . 1 1 105 105 LYS CE C 13 43.23 0.2 . 1 . . . A 105 LYS CE . 19625 1 1275 . 1 1 105 105 LYS N N 15 115.38 0.15 . 1 . . . A 105 LYS N . 19625 1 1276 . 1 1 106 106 ASN H H 1 7.73 0.02 . 1 . . . A 106 ASN H . 19625 1 1277 . 1 1 106 106 ASN HA H 1 4.14 0.02 . 1 . . . A 106 ASN HA . 19625 1 1278 . 1 1 106 106 ASN HB2 H 1 2.58 0.02 . 2 . . . A 106 ASN HB2 . 19625 1 1279 . 1 1 106 106 ASN HB3 H 1 2.95 0.02 . 2 . . . A 106 ASN HB3 . 19625 1 1280 . 1 1 106 106 ASN HD21 H 1 6.66 0.02 . 2 . . . A 106 ASN HD21 . 19625 1 1281 . 1 1 106 106 ASN HD22 H 1 7.37 0.02 . 2 . . . A 106 ASN HD22 . 19625 1 1282 . 1 1 106 106 ASN C C 13 173.4 0.2 . 1 . . . A 106 ASN C . 19625 1 1283 . 1 1 106 106 ASN CA C 13 55.2 0.2 . 1 . . . A 106 ASN CA . 19625 1 1284 . 1 1 106 106 ASN CB C 13 37.8 0.2 . 1 . . . A 106 ASN CB . 19625 1 1285 . 1 1 106 106 ASN N N 15 116.1 0.15 . 1 . . . A 106 ASN N . 19625 1 1286 . 1 1 106 106 ASN ND2 N 15 112 0.15 . 1 . . . A 106 ASN ND2 . 19625 1 1287 . 1 1 107 107 VAL H H 1 7.97 0.02 . 1 . . . A 107 VAL H . 19625 1 1288 . 1 1 107 107 VAL HA H 1 3.73 0.02 . 1 . . . A 107 VAL HA . 19625 1 1289 . 1 1 107 107 VAL HB H 1 1.5 0.02 . 1 . . . A 107 VAL HB . 19625 1 1290 . 1 1 107 107 VAL HG11 H 1 0.63 0.02 . 2 . . . A 107 VAL HG11 . 19625 1 1291 . 1 1 107 107 VAL HG12 H 1 0.63 0.02 . 2 . . . A 107 VAL HG12 . 19625 1 1292 . 1 1 107 107 VAL HG13 H 1 0.63 0.02 . 2 . . . A 107 VAL HG13 . 19625 1 1293 . 1 1 107 107 VAL HG21 H 1 -0.06 0.02 . 2 . . . A 107 VAL HG21 . 19625 1 1294 . 1 1 107 107 VAL HG22 H 1 -0.06 0.02 . 2 . . . A 107 VAL HG22 . 19625 1 1295 . 1 1 107 107 VAL HG23 H 1 -0.06 0.02 . 2 . . . A 107 VAL HG23 . 19625 1 1296 . 1 1 107 107 VAL C C 13 175.28 0.2 . 1 . . . A 107 VAL C . 19625 1 1297 . 1 1 107 107 VAL CA C 13 62.1 0.2 . 1 . . . A 107 VAL CA . 19625 1 1298 . 1 1 107 107 VAL CB C 13 34.2 0.2 . 1 . . . A 107 VAL CB . 19625 1 1299 . 1 1 107 107 VAL CG1 C 13 23.43 0.2 . 2 . . . A 107 VAL CG1 . 19625 1 1300 . 1 1 107 107 VAL CG2 C 13 22.3 0.2 . 2 . . . A 107 VAL CG2 . 19625 1 1301 . 1 1 107 107 VAL N N 15 119.06 0.15 . 1 . . . A 107 VAL N . 19625 1 1302 . 1 1 108 108 ARG H H 1 8.23 0.02 . 1 . . . A 108 ARG H . 19625 1 1303 . 1 1 108 108 ARG HA H 1 4.17 0.02 . 1 . . . A 108 ARG HA . 19625 1 1304 . 1 1 108 108 ARG HB2 H 1 1.67 0.02 . 2 . . . A 108 ARG HB2 . 19625 1 1305 . 1 1 108 108 ARG HB3 H 1 1.8 0.02 . 2 . . . A 108 ARG HB3 . 19625 1 1306 . 1 1 108 108 ARG HG2 H 1 1.17 0.02 . 2 . . . A 108 ARG HG2 . 19625 1 1307 . 1 1 108 108 ARG HG3 H 1 1.17 0.02 . 2 . . . A 108 ARG HG3 . 19625 1 1308 . 1 1 108 108 ARG HD2 H 1 3.04 0.02 . 2 . . . A 108 ARG HD2 . 19625 1 1309 . 1 1 108 108 ARG HD3 H 1 3.04 0.02 . 2 . . . A 108 ARG HD3 . 19625 1 1310 . 1 1 108 108 ARG C C 13 173.02 0.2 . 1 . . . A 108 ARG C . 19625 1 1311 . 1 1 108 108 ARG CA C 13 56.69 0.2 . 1 . . . A 108 ARG CA . 19625 1 1312 . 1 1 108 108 ARG CB C 13 31.1 0.2 . 1 . . . A 108 ARG CB . 19625 1 1313 . 1 1 108 108 ARG CG C 13 27.89 0.2 . 1 . . . A 108 ARG CG . 19625 1 1314 . 1 1 108 108 ARG CD C 13 44.82 0.2 . 1 . . . A 108 ARG CD . 19625 1 1315 . 1 1 108 108 ARG N N 15 129.92 0.15 . 1 . . . A 108 ARG N . 19625 1 1316 . 1 1 109 109 PHE H H 1 8.55 0.02 . 1 . . . A 109 PHE H . 19625 1 1317 . 1 1 109 109 PHE HA H 1 5.11 0.02 . 1 . . . A 109 PHE HA . 19625 1 1318 . 1 1 109 109 PHE HB2 H 1 2.6 0.02 . 2 . . . A 109 PHE HB2 . 19625 1 1319 . 1 1 109 109 PHE HB3 H 1 2.91 0.02 . 2 . . . A 109 PHE HB3 . 19625 1 1320 . 1 1 109 109 PHE HD1 H 1 6.93 0.02 . 3 . . . A 109 PHE HD1 . 19625 1 1321 . 1 1 109 109 PHE HD2 H 1 6.93 0.02 . 3 . . . A 109 PHE HD2 . 19625 1 1322 . 1 1 109 109 PHE HE1 H 1 6.98 0.02 . 3 . . . A 109 PHE HE1 . 19625 1 1323 . 1 1 109 109 PHE HE2 H 1 6.98 0.02 . 3 . . . A 109 PHE HE2 . 19625 1 1324 . 1 1 109 109 PHE CA C 13 57.13 0.2 . 1 . . . A 109 PHE CA . 19625 1 1325 . 1 1 109 109 PHE CB C 13 42.89 0.2 . 1 . . . A 109 PHE CB . 19625 1 1326 . 1 1 109 109 PHE CD1 C 13 132.69 0.2 . 3 . . . A 109 PHE CD1 . 19625 1 1327 . 1 1 109 109 PHE N N 15 129.39 0.15 . 1 . . . A 109 PHE N . 19625 1 1328 . 1 1 110 110 LEU H H 1 8.29 0.02 . 1 . . . A 110 LEU H . 19625 1 1329 . 1 1 110 110 LEU HA H 1 4.09 0.02 . 1 . . . A 110 LEU HA . 19625 1 1330 . 1 1 110 110 LEU HB2 H 1 0.97 0.02 . 2 . . . A 110 LEU HB2 . 19625 1 1331 . 1 1 110 110 LEU HB3 H 1 1.11 0.02 . 2 . . . A 110 LEU HB3 . 19625 1 1332 . 1 1 110 110 LEU HG H 1 0.58 0.02 . 1 . . . A 110 LEU HG . 19625 1 1333 . 1 1 110 110 LEU HD11 H 1 0.62 0.02 . 2 . . . A 110 LEU HD11 . 19625 1 1334 . 1 1 110 110 LEU HD12 H 1 0.62 0.02 . 2 . . . A 110 LEU HD12 . 19625 1 1335 . 1 1 110 110 LEU HD13 H 1 0.62 0.02 . 2 . . . A 110 LEU HD13 . 19625 1 1336 . 1 1 110 110 LEU HD21 H 1 0.62 0.02 . 2 . . . A 110 LEU HD21 . 19625 1 1337 . 1 1 110 110 LEU HD22 H 1 0.62 0.02 . 2 . . . A 110 LEU HD22 . 19625 1 1338 . 1 1 110 110 LEU HD23 H 1 0.62 0.02 . 2 . . . A 110 LEU HD23 . 19625 1 1339 . 1 1 110 110 LEU C C 13 172.36 0.2 . 1 . . . A 110 LEU C . 19625 1 1340 . 1 1 110 110 LEU CA C 13 54.61 0.2 . 1 . . . A 110 LEU CA . 19625 1 1341 . 1 1 110 110 LEU CB C 13 46.7 0.2 . 1 . . . A 110 LEU CB . 19625 1 1342 . 1 1 110 110 LEU CG C 13 26.78 0.2 . 1 . . . A 110 LEU CG . 19625 1 1343 . 1 1 110 110 LEU CD1 C 13 25.43 0.2 . 2 . . . A 110 LEU CD1 . 19625 1 1344 . 1 1 110 110 LEU CD2 C 13 25.43 0.2 . 2 . . . A 110 LEU CD2 . 19625 1 1345 . 1 1 110 110 LEU N N 15 130.22 0.15 . 1 . . . A 110 LEU N . 19625 1 1346 . 1 1 111 111 ALA H H 1 7.59 0.02 . 1 . . . A 111 ALA H . 19625 1 1347 . 1 1 111 111 ALA HA H 1 4.58 0.02 . 1 . . . A 111 ALA HA . 19625 1 1348 . 1 1 111 111 ALA HB1 H 1 0.87 0.02 . 2 . . . A 111 ALA HB1 . 19625 1 1349 . 1 1 111 111 ALA HB2 H 1 0.87 0.02 . 2 . . . A 111 ALA HB2 . 19625 1 1350 . 1 1 111 111 ALA HB3 H 1 0.87 0.02 . 2 . . . A 111 ALA HB3 . 19625 1 1351 . 1 1 111 111 ALA C C 13 177.47 0.2 . 1 . . . A 111 ALA C . 19625 1 1352 . 1 1 111 111 ALA CA C 13 49.8 0.2 . 1 . . . A 111 ALA CA . 19625 1 1353 . 1 1 111 111 ALA CB C 13 20 0.2 . 1 . . . A 111 ALA CB . 19625 1 1354 . 1 1 111 111 ALA N N 15 123.89 0.15 . 1 . . . A 111 ALA N . 19625 1 1355 . 1 1 112 112 ILE H H 1 7.7 0.02 . 1 . . . A 112 ILE H . 19625 1 1356 . 1 1 112 112 ILE HA H 1 3.14 0.02 . 1 . . . A 112 ILE HA . 19625 1 1357 . 1 1 112 112 ILE HB H 1 1.49 0.02 . 1 . . . A 112 ILE HB . 19625 1 1358 . 1 1 112 112 ILE HG12 H 1 -0.2 0.02 . 2 . . . A 112 ILE HG12 . 19625 1 1359 . 1 1 112 112 ILE HG13 H 1 0.87 0.02 . 2 . . . A 112 ILE HG13 . 19625 1 1360 . 1 1 112 112 ILE HG21 H 1 0.47 0.02 . 2 . . . A 112 ILE HG21 . 19625 1 1361 . 1 1 112 112 ILE HG22 H 1 0.47 0.02 . 2 . . . A 112 ILE HG22 . 19625 1 1362 . 1 1 112 112 ILE HG23 H 1 0.47 0.02 . 2 . . . A 112 ILE HG23 . 19625 1 1363 . 1 1 112 112 ILE HD11 H 1 -0.04 0.02 . 2 . . . A 112 ILE HD11 . 19625 1 1364 . 1 1 112 112 ILE HD12 H 1 -0.04 0.02 . 2 . . . A 112 ILE HD12 . 19625 1 1365 . 1 1 112 112 ILE HD13 H 1 -0.04 0.02 . 2 . . . A 112 ILE HD13 . 19625 1 1366 . 1 1 112 112 ILE C C 13 177.35 0.2 . 1 . . . A 112 ILE C . 19625 1 1367 . 1 1 112 112 ILE CA C 13 66.3 0.2 . 1 . . . A 112 ILE CA . 19625 1 1368 . 1 1 112 112 ILE CB C 13 39.04 0.2 . 1 . . . A 112 ILE CB . 19625 1 1369 . 1 1 112 112 ILE CG1 C 13 27.9 0.2 . 1 . . . A 112 ILE CG1 . 19625 1 1370 . 1 1 112 112 ILE CG2 C 13 18.11 0.2 . 1 . . . A 112 ILE CG2 . 19625 1 1371 . 1 1 112 112 ILE CD1 C 13 15.48 0.2 . 1 . . . A 112 ILE CD1 . 19625 1 1372 . 1 1 112 112 ILE N N 15 121.69 0.15 . 1 . . . A 112 ILE N . 19625 1 1373 . 1 1 113 113 ASN H H 1 8.35 0.02 . 1 . . . A 113 ASN H . 19625 1 1374 . 1 1 113 113 ASN HA H 1 4.74 0.02 . 1 . . . A 113 ASN HA . 19625 1 1375 . 1 1 113 113 ASN HB2 H 1 2.79 0.02 . 2 . . . A 113 ASN HB2 . 19625 1 1376 . 1 1 113 113 ASN HB3 H 1 2.79 0.02 . 2 . . . A 113 ASN HB3 . 19625 1 1377 . 1 1 113 113 ASN C C 13 175.11 0.2 . 1 . . . A 113 ASN C . 19625 1 1378 . 1 1 113 113 ASN CA C 13 53.61 0.2 . 1 . . . A 113 ASN CA . 19625 1 1379 . 1 1 113 113 ASN CB C 13 39.66 0.2 . 1 . . . A 113 ASN CB . 19625 1 1380 . 1 1 113 113 ASN N N 15 116.22 0.15 . 1 . . . A 113 ASN N . 19625 1 1381 . 1 1 114 114 ASN H H 1 8.11 0.02 . 1 . . . A 114 ASN H . 19625 1 1382 . 1 1 114 114 ASN HA H 1 4.6 0.02 . 1 . . . A 114 ASN HA . 19625 1 1383 . 1 1 114 114 ASN HB2 H 1 2.51 0.02 . 2 . . . A 114 ASN HB2 . 19625 1 1384 . 1 1 114 114 ASN HB3 H 1 2.79 0.02 . 2 . . . A 114 ASN HB3 . 19625 1 1385 . 1 1 114 114 ASN C C 13 174.87 0.2 . 1 . . . A 114 ASN C . 19625 1 1386 . 1 1 114 114 ASN CA C 13 54.34 0.2 . 1 . . . A 114 ASN CA . 19625 1 1387 . 1 1 114 114 ASN CB C 13 40.6 0.2 . 1 . . . A 114 ASN CB . 19625 1 1388 . 1 1 114 114 ASN N N 15 118.56 0.15 . 1 . . . A 114 ASN N . 19625 1 1389 . 1 1 115 115 SER H H 1 8.01 0.02 . 1 . . . A 115 SER H . 19625 1 1390 . 1 1 115 115 SER HA H 1 4.32 0.02 . 1 . . . A 115 SER HA . 19625 1 1391 . 1 1 115 115 SER HB2 H 1 3.77 0.02 . 2 . . . A 115 SER HB2 . 19625 1 1392 . 1 1 115 115 SER HB3 H 1 3.77 0.02 . 2 . . . A 115 SER HB3 . 19625 1 1393 . 1 1 115 115 SER C C 13 174.12 0.2 . 1 . . . A 115 SER C . 19625 1 1394 . 1 1 115 115 SER CA C 13 59.26 0.2 . 1 . . . A 115 SER CA . 19625 1 1395 . 1 1 115 115 SER CB C 13 64.2 0.2 . 1 . . . A 115 SER CB . 19625 1 1396 . 1 1 115 115 SER N N 15 114.6 0.15 . 1 . . . A 115 SER N . 19625 1 1397 . 1 1 116 116 ILE H H 1 7.92 0.02 . 1 . . . A 116 ILE H . 19625 1 1398 . 1 1 116 116 ILE HA H 1 4.02 0.02 . 1 . . . A 116 ILE HA . 19625 1 1399 . 1 1 116 116 ILE HB H 1 1.64 0.02 . 1 . . . A 116 ILE HB . 19625 1 1400 . 1 1 116 116 ILE HG12 H 1 0.98 0.02 . 2 . . . A 116 ILE HG12 . 19625 1 1401 . 1 1 116 116 ILE HG13 H 1 1.3 0.02 . 2 . . . A 116 ILE HG13 . 19625 1 1402 . 1 1 116 116 ILE HG21 H 1 0.73 0.02 . 2 . . . A 116 ILE HG21 . 19625 1 1403 . 1 1 116 116 ILE HG22 H 1 0.73 0.02 . 2 . . . A 116 ILE HG22 . 19625 1 1404 . 1 1 116 116 ILE HG23 H 1 0.73 0.02 . 2 . . . A 116 ILE HG23 . 19625 1 1405 . 1 1 116 116 ILE HD11 H 1 0.69 0.02 . 2 . . . A 116 ILE HD11 . 19625 1 1406 . 1 1 116 116 ILE HD12 H 1 0.69 0.02 . 2 . . . A 116 ILE HD12 . 19625 1 1407 . 1 1 116 116 ILE HD13 H 1 0.69 0.02 . 2 . . . A 116 ILE HD13 . 19625 1 1408 . 1 1 116 116 ILE C C 13 175.59 0.2 . 1 . . . A 116 ILE C . 19625 1 1409 . 1 1 116 116 ILE CA C 13 62.19 0.2 . 1 . . . A 116 ILE CA . 19625 1 1410 . 1 1 116 116 ILE CB C 13 39.9 0.2 . 1 . . . A 116 ILE CB . 19625 1 1411 . 1 1 116 116 ILE CG1 C 13 28.09 0.2 . 1 . . . A 116 ILE CG1 . 19625 1 1412 . 1 1 116 116 ILE CG2 C 13 18.21 0.2 . 1 . . . A 116 ILE CG2 . 19625 1 1413 . 1 1 116 116 ILE CD1 C 13 14.17 0.2 . 1 . . . A 116 ILE CD1 . 19625 1 1414 . 1 1 116 116 ILE N N 15 121.02 0.15 . 1 . . . A 116 ILE N . 19625 1 1415 . 1 1 117 117 ASP H H 1 8.16 0.02 . 1 . . . A 117 ASP H . 19625 1 1416 . 1 1 117 117 ASP HA H 1 4.59 0.02 . 1 . . . A 117 ASP HA . 19625 1 1417 . 1 1 117 117 ASP HB2 H 1 2.42 0.02 . 2 . . . A 117 ASP HB2 . 19625 1 1418 . 1 1 117 117 ASP HB3 H 1 2.57 0.02 . 2 . . . A 117 ASP HB3 . 19625 1 1419 . 1 1 117 117 ASP C C 13 174.87 0.2 . 1 . . . A 117 ASP C . 19625 1 1420 . 1 1 117 117 ASP CA C 13 54.78 0.2 . 1 . . . A 117 ASP CA . 19625 1 1421 . 1 1 117 117 ASP CB C 13 42.49 0.2 . 1 . . . A 117 ASP CB . 19625 1 1422 . 1 1 117 117 ASP N N 15 124.19 0.15 . 1 . . . A 117 ASP N . 19625 1 1423 . 1 1 118 118 SER H H 1 8.22 0.02 . 1 . . . A 118 SER H . 19625 1 1424 . 1 1 118 118 SER HA H 1 4.25 0.02 . 1 . . . A 118 SER HA . 19625 1 1425 . 1 1 118 118 SER HB2 H 1 3.72 0.02 . 2 . . . A 118 SER HB2 . 19625 1 1426 . 1 1 118 118 SER HB3 H 1 3.8 0.02 . 2 . . . A 118 SER HB3 . 19625 1 1427 . 1 1 118 118 SER C C 13 174.26 0.2 . 1 . . . A 118 SER C . 19625 1 1428 . 1 1 118 118 SER CA C 13 59.77 0.2 . 1 . . . A 118 SER CA . 19625 1 1429 . 1 1 118 118 SER CB C 13 64.5 0.2 . 1 . . . A 118 SER CB . 19625 1 1430 . 1 1 118 118 SER N N 15 116.92 0.15 . 1 . . . A 118 SER N . 19625 1 1431 . 1 1 119 119 ASN H H 1 8.33 0.02 . 1 . . . A 119 ASN H . 19625 1 1432 . 1 1 119 119 ASN HA H 1 4.58 0.02 . 1 . . . A 119 ASN HA . 19625 1 1433 . 1 1 119 119 ASN HB2 H 1 2.55 0.02 . 2 . . . A 119 ASN HB2 . 19625 1 1434 . 1 1 119 119 ASN HB3 H 1 2.68 0.02 . 2 . . . A 119 ASN HB3 . 19625 1 1435 . 1 1 119 119 ASN HD21 H 1 6.73 0.02 . 2 . . . A 119 ASN HD21 . 19625 1 1436 . 1 1 119 119 ASN HD22 H 1 7.42 0.02 . 2 . . . A 119 ASN HD22 . 19625 1 1437 . 1 1 119 119 ASN C C 13 174.12 0.2 . 1 . . . A 119 ASN C . 19625 1 1438 . 1 1 119 119 ASN CA C 13 54.2 0.2 . 1 . . . A 119 ASN CA . 19625 1 1439 . 1 1 119 119 ASN CB C 13 39.7 0.2 . 1 . . . A 119 ASN CB . 19625 1 1440 . 1 1 119 119 ASN N N 15 120.83 0.15 . 1 . . . A 119 ASN N . 19625 1 1441 . 1 1 119 119 ASN ND2 N 15 112.61 0.15 . 1 . . . A 119 ASN ND2 . 19625 1 1442 . 1 1 120 120 ASN H H 1 7.79 0.02 . 1 . . . A 120 ASN H . 19625 1 1443 . 1 1 120 120 ASN HA H 1 4.29 0.02 . 1 . . . A 120 ASN HA . 19625 1 1444 . 1 1 120 120 ASN HB2 H 1 2.49 0.02 . 2 . . . A 120 ASN HB2 . 19625 1 1445 . 1 1 120 120 ASN HB3 H 1 2.58 0.02 . 2 . . . A 120 ASN HB3 . 19625 1 1446 . 1 1 120 120 ASN CA C 13 55.77 0.2 . 1 . . . A 120 ASN CA . 19625 1 1447 . 1 1 120 120 ASN CB C 13 41.32 0.2 . 1 . . . A 120 ASN CB . 19625 1 1448 . 1 1 120 120 ASN N N 15 124.01 0.15 . 1 . . . A 120 ASN N . 19625 1 stop_ save_