data_4902 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4902 _Entry.Title ; Complete sequence-specific 1H, 13C and 15N resonance assignments of a novel hPTK6 SH2 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-11-25 _Entry.Accession_date 2000-11-27 _Entry.Last_release_date 2001-04-26 _Entry.Original_release_date 2001-04-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Eunmi Hong . . . 4902 2 Joon Shin . . . 4902 3 Weontae Lee . . . 4902 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4902 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 661 4902 '13C chemical shifts' 403 4902 '15N chemical shifts' 96 4902 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 . . 2001-04-26 2000-11-25 original author . 4902 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4902 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Complete sequence-specific 1H, 13C and 15N resonance assignments of the human PTK6 SH2 domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 3 _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 291 _Citation.Page_last 292 _Citation.Year 2001 _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 Eunmi Hong . . . 4902 1 2 Joon Shin . . . 4902 1 3 Eunjung Bang . . . 4902 1 4 Min-Hyung Kim . . . 4902 1 5 Seung-Taek Lee . . . 4902 1 6 Weontae Lee . . . 4902 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Brk(Breast tumor kinase)' 4902 1 'PTK6(Protein tyrosine kinase6)' 4902 1 'sequence-specific assignment' 4902 1 'SH2 domain' 4902 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SH2_domain_of_hPTK6 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SH2_domain_of_hPTK6 _Assembly.Entry_ID 4902 _Assembly.ID 1 _Assembly.Name 'SH2 domain of Human Protein Tyrosine Kinase 6' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.1.112 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4902 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH2 domain' 1 $SH2_domain . . . native . . . . . 4902 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'SH2 domain of Human Protein Tyrosine Kinase 6' system 4902 1 'SH2 domain of hPTK6' abbreviation 4902 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SH2_domain _Entity.Sf_category entity _Entity.Sf_framecode SH2_domain _Entity.Entry_ID 4902 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH2 domian of Human Protein Tyrosine Kinase6' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SEPWFFGCISRSEAVRRLQA EGNATGAFLIRVSEKPSADY VLSVRDTQAVRHYKIWRRAG GRLHLNEAVSFLSLPELVNY HRAQSLSHGLRLAAPCRKHE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 1RJA . "Solution Structure And Backbone Dynamics Of The Nonreceptor Tyrosine Kinase Ptk6BRK SH2 DOMAIN" . . . . . 100.00 100 100.00 100.00 7.63e-66 . . . . 4902 1 2 no DBJ BAG37660 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 451 100.00 100.00 1.39e-61 . . . . 4902 1 3 no DBJ BAI45737 . "PTK6 protein tyrosine kinase 6 [synthetic construct]" . . . . . 100.00 451 100.00 100.00 1.39e-61 . . . . 4902 1 4 no EMBL CAA55295 . "tyrosine kinase [Homo sapiens]" . . . . . 100.00 451 100.00 100.00 1.39e-61 . . . . 4902 1 5 no GB AAC34935 . "non-receptor type protein tyrosine kinase [Homo sapiens]" . . . . . 100.00 451 100.00 100.00 1.39e-61 . . . . 4902 1 6 no GB AAH35843 . "PTK6 protein tyrosine kinase 6 [Homo sapiens]" . . . . . 100.00 451 100.00 100.00 1.39e-61 . . . . 4902 1 7 no GB EAW75262 . "PTK6 protein tyrosine kinase 6, isoform CRA_a [Homo sapiens]" . . . . . 100.00 521 100.00 100.00 1.57e-60 . . . . 4902 1 8 no GB EAW75263 . "PTK6 protein tyrosine kinase 6, isoform CRA_b [Homo sapiens]" . . . . . 100.00 517 100.00 100.00 1.23e-60 . . . . 4902 1 9 no REF NP_005966 . "protein-tyrosine kinase 6 isoform 1 [Homo sapiens]" . . . . . 100.00 451 100.00 100.00 1.39e-61 . . . . 4902 1 10 no REF XP_002830575 . "PREDICTED: protein-tyrosine kinase 6 [Pongo abelii]" . . . . . 100.00 451 97.00 97.00 1.82e-59 . . . . 4902 1 11 no REF XP_003280201 . "PREDICTED: protein-tyrosine kinase 6 [Nomascus leucogenys]" . . . . . 100.00 451 97.00 97.00 1.86e-59 . . . . 4902 1 12 no REF XP_003809959 . "PREDICTED: protein-tyrosine kinase 6 [Pan paniscus]" . . . . . 100.00 451 98.00 99.00 3.19e-60 . . . . 4902 1 13 no REF XP_004062576 . "PREDICTED: protein-tyrosine kinase 6 isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 451 98.00 99.00 2.93e-60 . . . . 4902 1 14 no SP Q13882 . "RecName: Full=Protein-tyrosine kinase 6; AltName: Full=Breast tumor kinase; AltName: Full=Tyrosine-protein kinase BRK [Homo sap" . . . . . 100.00 451 100.00 100.00 1.39e-61 . . . . 4902 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH2 domian of Human Protein Tyrosine Kinase6' common 4902 1 'SH2 domain of hPTK6' abbreviation 4902 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 SER . 4902 1 2 2 GLU . 4902 1 3 3 PRO . 4902 1 4 4 TRP . 4902 1 5 5 PHE . 4902 1 6 6 PHE . 4902 1 7 7 GLY . 4902 1 8 8 CYS . 4902 1 9 9 ILE . 4902 1 10 10 SER . 4902 1 11 11 ARG . 4902 1 12 12 SER . 4902 1 13 13 GLU . 4902 1 14 14 ALA . 4902 1 15 15 VAL . 4902 1 16 16 ARG . 4902 1 17 17 ARG . 4902 1 18 18 LEU . 4902 1 19 19 GLN . 4902 1 20 20 ALA . 4902 1 21 21 GLU . 4902 1 22 22 GLY . 4902 1 23 23 ASN . 4902 1 24 24 ALA . 4902 1 25 25 THR . 4902 1 26 26 GLY . 4902 1 27 27 ALA . 4902 1 28 28 PHE . 4902 1 29 29 LEU . 4902 1 30 30 ILE . 4902 1 31 31 ARG . 4902 1 32 32 VAL . 4902 1 33 33 SER . 4902 1 34 34 GLU . 4902 1 35 35 LYS . 4902 1 36 36 PRO . 4902 1 37 37 SER . 4902 1 38 38 ALA . 4902 1 39 39 ASP . 4902 1 40 40 TYR . 4902 1 41 41 VAL . 4902 1 42 42 LEU . 4902 1 43 43 SER . 4902 1 44 44 VAL . 4902 1 45 45 ARG . 4902 1 46 46 ASP . 4902 1 47 47 THR . 4902 1 48 48 GLN . 4902 1 49 49 ALA . 4902 1 50 50 VAL . 4902 1 51 51 ARG . 4902 1 52 52 HIS . 4902 1 53 53 TYR . 4902 1 54 54 LYS . 4902 1 55 55 ILE . 4902 1 56 56 TRP . 4902 1 57 57 ARG . 4902 1 58 58 ARG . 4902 1 59 59 ALA . 4902 1 60 60 GLY . 4902 1 61 61 GLY . 4902 1 62 62 ARG . 4902 1 63 63 LEU . 4902 1 64 64 HIS . 4902 1 65 65 LEU . 4902 1 66 66 ASN . 4902 1 67 67 GLU . 4902 1 68 68 ALA . 4902 1 69 69 VAL . 4902 1 70 70 SER . 4902 1 71 71 PHE . 4902 1 72 72 LEU . 4902 1 73 73 SER . 4902 1 74 74 LEU . 4902 1 75 75 PRO . 4902 1 76 76 GLU . 4902 1 77 77 LEU . 4902 1 78 78 VAL . 4902 1 79 79 ASN . 4902 1 80 80 TYR . 4902 1 81 81 HIS . 4902 1 82 82 ARG . 4902 1 83 83 ALA . 4902 1 84 84 GLN . 4902 1 85 85 SER . 4902 1 86 86 LEU . 4902 1 87 87 SER . 4902 1 88 88 HIS . 4902 1 89 89 GLY . 4902 1 90 90 LEU . 4902 1 91 91 ARG . 4902 1 92 92 LEU . 4902 1 93 93 ALA . 4902 1 94 94 ALA . 4902 1 95 95 PRO . 4902 1 96 96 CYS . 4902 1 97 97 ARG . 4902 1 98 98 LYS . 4902 1 99 99 HIS . 4902 1 100 100 GLU . 4902 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 4902 1 . GLU 2 2 4902 1 . PRO 3 3 4902 1 . TRP 4 4 4902 1 . PHE 5 5 4902 1 . PHE 6 6 4902 1 . GLY 7 7 4902 1 . CYS 8 8 4902 1 . ILE 9 9 4902 1 . SER 10 10 4902 1 . ARG 11 11 4902 1 . SER 12 12 4902 1 . GLU 13 13 4902 1 . ALA 14 14 4902 1 . VAL 15 15 4902 1 . ARG 16 16 4902 1 . ARG 17 17 4902 1 . LEU 18 18 4902 1 . GLN 19 19 4902 1 . ALA 20 20 4902 1 . GLU 21 21 4902 1 . GLY 22 22 4902 1 . ASN 23 23 4902 1 . ALA 24 24 4902 1 . THR 25 25 4902 1 . GLY 26 26 4902 1 . ALA 27 27 4902 1 . PHE 28 28 4902 1 . LEU 29 29 4902 1 . ILE 30 30 4902 1 . ARG 31 31 4902 1 . VAL 32 32 4902 1 . SER 33 33 4902 1 . GLU 34 34 4902 1 . LYS 35 35 4902 1 . PRO 36 36 4902 1 . SER 37 37 4902 1 . ALA 38 38 4902 1 . ASP 39 39 4902 1 . TYR 40 40 4902 1 . VAL 41 41 4902 1 . LEU 42 42 4902 1 . SER 43 43 4902 1 . VAL 44 44 4902 1 . ARG 45 45 4902 1 . ASP 46 46 4902 1 . THR 47 47 4902 1 . GLN 48 48 4902 1 . ALA 49 49 4902 1 . VAL 50 50 4902 1 . ARG 51 51 4902 1 . HIS 52 52 4902 1 . TYR 53 53 4902 1 . LYS 54 54 4902 1 . ILE 55 55 4902 1 . TRP 56 56 4902 1 . ARG 57 57 4902 1 . ARG 58 58 4902 1 . ALA 59 59 4902 1 . GLY 60 60 4902 1 . GLY 61 61 4902 1 . ARG 62 62 4902 1 . LEU 63 63 4902 1 . HIS 64 64 4902 1 . LEU 65 65 4902 1 . ASN 66 66 4902 1 . GLU 67 67 4902 1 . ALA 68 68 4902 1 . VAL 69 69 4902 1 . SER 70 70 4902 1 . PHE 71 71 4902 1 . LEU 72 72 4902 1 . SER 73 73 4902 1 . LEU 74 74 4902 1 . PRO 75 75 4902 1 . GLU 76 76 4902 1 . LEU 77 77 4902 1 . VAL 78 78 4902 1 . ASN 79 79 4902 1 . TYR 80 80 4902 1 . HIS 81 81 4902 1 . ARG 82 82 4902 1 . ALA 83 83 4902 1 . GLN 84 84 4902 1 . SER 85 85 4902 1 . LEU 86 86 4902 1 . SER 87 87 4902 1 . HIS 88 88 4902 1 . GLY 89 89 4902 1 . LEU 90 90 4902 1 . ARG 91 91 4902 1 . LEU 92 92 4902 1 . ALA 93 93 4902 1 . ALA 94 94 4902 1 . PRO 95 95 4902 1 . CYS 96 96 4902 1 . ARG 97 97 4902 1 . LYS 98 98 4902 1 . HIS 99 99 4902 1 . GLU 100 100 4902 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 4902 _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 $SH2_domain . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4902 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 4902 _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 $SH2_domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample-1 _Sample.Sf_category sample _Sample.Sf_framecode sample-1 _Sample.Entry_ID 4902 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH2 domian of Human Protein Tyrosine Kinase6' '[U-98% 13C; U-99.8% 15N]' . . 1 $SH2_domain . . . 0.5 1.0 mM . . . . 4902 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4902 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.005 n/a 4902 1 temperature 298 0.1 K 4902 1 'ionic strength' 0.15 . M 4902 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 4902 _Software.ID 1 _Software.Name nmrPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4902 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4902 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4902 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4902 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 . . . 4902 1 2 NMR_spectrometer_2 Varian INOVA . 500 . . . 4902 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 4902 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 3 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 4 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 6 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 7 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 8 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 9 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 10 HMQC-J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 11 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 12 HCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 13 HNCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 14 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 15 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4902 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HMQC-J _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4902 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4902 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4902 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect . . 0.251449530 . . . . . . . 4902 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect . . 0.101329118 . . . . . . . 4902 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4902 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample-1 . 4902 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER H H 1 7.65 0.007 . 1 . . . . . . . . 4902 1 2 . 1 1 1 1 SER HA H 1 4.27 0.007 . 1 . . . . . . . . 4902 1 3 . 1 1 1 1 SER HB2 H 1 3.87 0.007 . 1 . . . . . . . . 4902 1 4 . 1 1 1 1 SER HB3 H 1 3.87 0.007 . 1 . . . . . . . . 4902 1 5 . 1 1 1 1 SER C C 13 174.53 0.293 . 1 . . . . . . . . 4902 1 6 . 1 1 1 1 SER CA C 13 59.03 0.293 . 1 . . . . . . . . 4902 1 7 . 1 1 1 1 SER CB C 13 67.87 0.293 . 1 . . . . . . . . 4902 1 8 . 1 1 1 1 SER N N 15 118.11 0.313 . 1 . . . . . . . . 4902 1 9 . 1 1 2 2 GLU H H 1 8.12 0.007 . 1 . . . . . . . . 4902 1 10 . 1 1 2 2 GLU HA H 1 4.61 0.007 . 1 . . . . . . . . 4902 1 11 . 1 1 2 2 GLU HB2 H 1 1.12 0.007 . 1 . . . . . . . . 4902 1 12 . 1 1 2 2 GLU HB3 H 1 1.12 0.007 . 1 . . . . . . . . 4902 1 13 . 1 1 2 2 GLU HG2 H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 14 . 1 1 2 2 GLU HG3 H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 15 . 1 1 2 2 GLU C C 13 179.13 0.293 . 1 . . . . . . . . 4902 1 16 . 1 1 2 2 GLU CA C 13 56.28 0.293 . 1 . . . . . . . . 4902 1 17 . 1 1 2 2 GLU CB C 13 30.36 0.293 . 1 . . . . . . . . 4902 1 18 . 1 1 2 2 GLU CG C 13 37.5 0.293 . 1 . . . . . . . . 4902 1 19 . 1 1 2 2 GLU N N 15 115.86 0.313 . 1 . . . . . . . . 4902 1 20 . 1 1 3 3 PRO HA H 1 4.35 0.007 . 1 . . . . . . . . 4902 1 21 . 1 1 3 3 PRO HB2 H 1 2.28 0.007 . 1 . . . . . . . . 4902 1 22 . 1 1 3 3 PRO HB3 H 1 2.28 0.007 . 1 . . . . . . . . 4902 1 23 . 1 1 3 3 PRO HG2 H 1 2.14 0.007 . 1 . . . . . . . . 4902 1 24 . 1 1 3 3 PRO HG3 H 1 2.14 0.007 . 1 . . . . . . . . 4902 1 25 . 1 1 3 3 PRO HD2 H 1 3.64 0.007 . 1 . . . . . . . . 4902 1 26 . 1 1 3 3 PRO HD3 H 1 3.64 0.007 . 1 . . . . . . . . 4902 1 27 . 1 1 3 3 PRO C C 13 173.62 0.293 . 1 . . . . . . . . 4902 1 28 . 1 1 3 3 PRO CA C 13 56.25 0.293 . 1 . . . . . . . . 4902 1 29 . 1 1 3 3 PRO CB C 13 33.29 0.293 . 1 . . . . . . . . 4902 1 30 . 1 1 3 3 PRO CG C 13 25.19 0.293 . 1 . . . . . . . . 4902 1 31 . 1 1 3 3 PRO CD C 13 48.05 0.293 . 1 . . . . . . . . 4902 1 32 . 1 1 4 4 TRP H H 1 8.97 0.007 . 1 . . . . . . . . 4902 1 33 . 1 1 4 4 TRP HA H 1 4.53 0.007 . 1 . . . . . . . . 4902 1 34 . 1 1 4 4 TRP HB2 H 1 3.45 0.007 . 2 . . . . . . . . 4902 1 35 . 1 1 4 4 TRP HB3 H 1 3.23 0.007 . 2 . . . . . . . . 4902 1 36 . 1 1 4 4 TRP HD1 H 1 7.37 0.007 . 1 . . . . . . . . 4902 1 37 . 1 1 4 4 TRP HE1 H 1 10.98 0.007 . 1 . . . . . . . . 4902 1 38 . 1 1 4 4 TRP C C 13 174.26 0.293 . 1 . . . . . . . . 4902 1 39 . 1 1 4 4 TRP CA C 13 55.28 0.293 . 1 . . . . . . . . 4902 1 40 . 1 1 4 4 TRP CB C 13 30.36 0.293 . 1 . . . . . . . . 4902 1 41 . 1 1 4 4 TRP N N 15 129.42 0.313 . 1 . . . . . . . . 4902 1 42 . 1 1 5 5 PHE H H 1 9.24 0.007 . 1 . . . . . . . . 4902 1 43 . 1 1 5 5 PHE HA H 1 5.42 0.007 . 1 . . . . . . . . 4902 1 44 . 1 1 5 5 PHE HB2 H 1 3.12 0.007 . 1 . . . . . . . . 4902 1 45 . 1 1 5 5 PHE HB3 H 1 3.12 0.007 . 1 . . . . . . . . 4902 1 46 . 1 1 5 5 PHE C C 13 173.69 0.293 . 1 . . . . . . . . 4902 1 47 . 1 1 5 5 PHE CA C 13 51.24 0.293 . 1 . . . . . . . . 4902 1 48 . 1 1 5 5 PHE CB C 13 42.67 0.293 . 1 . . . . . . . . 4902 1 49 . 1 1 5 5 PHE N N 15 121.21 0.313 . 1 . . . . . . . . 4902 1 50 . 1 1 6 6 PHE H H 1 8.48 0.007 . 1 . . . . . . . . 4902 1 51 . 1 1 6 6 PHE HA H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 52 . 1 1 6 6 PHE HB2 H 1 3.44 0.007 . 1 . . . . . . . . 4902 1 53 . 1 1 6 6 PHE HB3 H 1 3.44 0.007 . 1 . . . . . . . . 4902 1 54 . 1 1 6 6 PHE C C 13 173.03 0.293 . 1 . . . . . . . . 4902 1 55 . 1 1 6 6 PHE CA C 13 58.53 0.293 . 1 . . . . . . . . 4902 1 56 . 1 1 6 6 PHE CB C 13 41.5 0.293 . 1 . . . . . . . . 4902 1 57 . 1 1 6 6 PHE N N 15 118.42 0.313 . 1 . . . . . . . . 4902 1 58 . 1 1 7 7 GLY H H 1 8.38 0.007 . 1 . . . . . . . . 4902 1 59 . 1 1 7 7 GLY HA2 H 1 4.61 0.007 . 1 . . . . . . . . 4902 1 60 . 1 1 7 7 GLY HA3 H 1 4.61 0.007 . 1 . . . . . . . . 4902 1 61 . 1 1 7 7 GLY C C 13 174.8 0.293 . 1 . . . . . . . . 4902 1 62 . 1 1 7 7 GLY CA C 13 45.27 0.293 . 1 . . . . . . . . 4902 1 63 . 1 1 7 7 GLY N N 15 107.51 0.313 . 1 . . . . . . . . 4902 1 64 . 1 1 8 8 CYS H H 1 7.75 0.007 . 1 . . . . . . . . 4902 1 65 . 1 1 8 8 CYS HA H 1 4.42 0.007 . 1 . . . . . . . . 4902 1 66 . 1 1 8 8 CYS HB2 H 1 3.44 0.007 . 1 . . . . . . . . 4902 1 67 . 1 1 8 8 CYS HB3 H 1 3.44 0.007 . 1 . . . . . . . . 4902 1 68 . 1 1 8 8 CYS C C 13 173.89 0.293 . 1 . . . . . . . . 4902 1 69 . 1 1 8 8 CYS CA C 13 57.52 0.293 . 1 . . . . . . . . 4902 1 70 . 1 1 8 8 CYS CB C 13 28.95 0.293 . 1 . . . . . . . . 4902 1 71 . 1 1 8 8 CYS N N 15 122.85 0.313 . 1 . . . . . . . . 4902 1 72 . 1 1 9 9 ILE H H 1 7.89 0.007 . 1 . . . . . . . . 4902 1 73 . 1 1 9 9 ILE HA H 1 3.99 0.007 . 1 . . . . . . . . 4902 1 74 . 1 1 9 9 ILE HB H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 75 . 1 1 9 9 ILE HG12 H 1 1.33 0.007 . 1 . . . . . . . . 4902 1 76 . 1 1 9 9 ILE HG13 H 1 1.33 0.007 . 1 . . . . . . . . 4902 1 77 . 1 1 9 9 ILE HG21 H 1 0.82 0.007 . 1 . . . . . . . . 4902 1 78 . 1 1 9 9 ILE HG22 H 1 0.82 0.007 . 1 . . . . . . . . 4902 1 79 . 1 1 9 9 ILE HG23 H 1 0.82 0.007 . 1 . . . . . . . . 4902 1 80 . 1 1 9 9 ILE HD11 H 1 0.59 0.007 . 1 . . . . . . . . 4902 1 81 . 1 1 9 9 ILE HD12 H 1 0.59 0.007 . 1 . . . . . . . . 4902 1 82 . 1 1 9 9 ILE HD13 H 1 0.59 0.007 . 1 . . . . . . . . 4902 1 83 . 1 1 9 9 ILE C C 13 173.03 0.293 . 1 . . . . . . . . 4902 1 84 . 1 1 9 9 ILE CA C 13 55.04 0.293 . 1 . . . . . . . . 4902 1 85 . 1 1 9 9 ILE CB C 13 41.6 0.293 . 1 . . . . . . . . 4902 1 86 . 1 1 9 9 ILE CG1 C 13 25.02 0.293 . 1 . . . . . . . . 4902 1 87 . 1 1 9 9 ILE CG2 C 13 17.23 0.293 . 1 . . . . . . . . 4902 1 88 . 1 1 9 9 ILE CD1 C 13 13.5 0.293 . 1 . . . . . . . . 4902 1 89 . 1 1 9 9 ILE N N 15 119.43 0.313 . 1 . . . . . . . . 4902 1 90 . 1 1 10 10 SER H H 1 7.87 0.007 . 1 . . . . . . . . 4902 1 91 . 1 1 10 10 SER HA H 1 4.09 0.007 . 1 . . . . . . . . 4902 1 92 . 1 1 10 10 SER HB2 H 1 3.54 0.007 . 1 . . . . . . . . 4902 1 93 . 1 1 10 10 SER HB3 H 1 3.54 0.007 . 1 . . . . . . . . 4902 1 94 . 1 1 10 10 SER C C 13 179.79 0.293 . 1 . . . . . . . . 4902 1 95 . 1 1 10 10 SER CA C 13 55.52 0.293 . 1 . . . . . . . . 4902 1 96 . 1 1 10 10 SER CB C 13 63.11 0.293 . 1 . . . . . . . . 4902 1 97 . 1 1 10 10 SER N N 15 114.91 0.313 . 1 . . . . . . . . 4902 1 98 . 1 1 11 11 ARG H H 1 7.93 0.007 . 1 . . . . . . . . 4902 1 99 . 1 1 11 11 ARG HA H 1 3.98 0.007 . 1 . . . . . . . . 4902 1 100 . 1 1 11 11 ARG HB2 H 1 1.91 0.007 . 1 . . . . . . . . 4902 1 101 . 1 1 11 11 ARG HB3 H 1 1.91 0.007 . 1 . . . . . . . . 4902 1 102 . 1 1 11 11 ARG HG2 H 1 1.77 0.007 . 1 . . . . . . . . 4902 1 103 . 1 1 11 11 ARG HG3 H 1 1.77 0.007 . 1 . . . . . . . . 4902 1 104 . 1 1 11 11 ARG HD2 H 1 2.95 0.007 . 1 . . . . . . . . 4902 1 105 . 1 1 11 11 ARG HD3 H 1 2.95 0.007 . 1 . . . . . . . . 4902 1 106 . 1 1 11 11 ARG C C 13 178.51 0.293 . 1 . . . . . . . . 4902 1 107 . 1 1 11 11 ARG CA C 13 61.53 0.293 . 1 . . . . . . . . 4902 1 108 . 1 1 11 11 ARG CB C 13 30.92 0.293 . 1 . . . . . . . . 4902 1 109 . 1 1 11 11 ARG CG C 13 26.16 0.293 . 1 . . . . . . . . 4902 1 110 . 1 1 11 11 ARG CD C 13 42.3 0.293 . 1 . . . . . . . . 4902 1 111 . 1 1 11 11 ARG N N 15 120.92 0.313 . 1 . . . . . . . . 4902 1 112 . 1 1 12 12 SER H H 1 7.62 0.007 . 1 . . . . . . . . 4902 1 113 . 1 1 12 12 SER HA H 1 4.38 0.007 . 1 . . . . . . . . 4902 1 114 . 1 1 12 12 SER HB2 H 1 3.87 0.007 . 1 . . . . . . . . 4902 1 115 . 1 1 12 12 SER HB3 H 1 3.87 0.007 . 1 . . . . . . . . 4902 1 116 . 1 1 12 12 SER C C 13 177.95 0.293 . 1 . . . . . . . . 4902 1 117 . 1 1 12 12 SER CA C 13 58.28 0.293 . 1 . . . . . . . . 4902 1 118 . 1 1 12 12 SER CB C 13 64.39 0.293 . 1 . . . . . . . . 4902 1 119 . 1 1 12 12 SER N N 15 114.84 0.313 . 1 . . . . . . . . 4902 1 120 . 1 1 13 13 GLU H H 1 7.3 0.007 . 1 . . . . . . . . 4902 1 121 . 1 1 13 13 GLU HA H 1 4.14 0.007 . 1 . . . . . . . . 4902 1 122 . 1 1 13 13 GLU HB2 H 1 1.7 0.007 . 1 . . . . . . . . 4902 1 123 . 1 1 13 13 GLU HB3 H 1 1.7 0.007 . 1 . . . . . . . . 4902 1 124 . 1 1 13 13 GLU HG2 H 1 2.12 0.007 . 1 . . . . . . . . 4902 1 125 . 1 1 13 13 GLU HG3 H 1 2.12 0.007 . 1 . . . . . . . . 4902 1 126 . 1 1 13 13 GLU C C 13 177.03 0.293 . 1 . . . . . . . . 4902 1 127 . 1 1 13 13 GLU CA C 13 57.53 0.293 . 1 . . . . . . . . 4902 1 128 . 1 1 13 13 GLU CB C 13 29.78 0.293 . 1 . . . . . . . . 4902 1 129 . 1 1 13 13 GLU CG C 13 36.64 0.293 . 1 . . . . . . . . 4902 1 130 . 1 1 13 13 GLU N N 15 117.72 0.313 . 1 . . . . . . . . 4902 1 131 . 1 1 14 14 ALA H H 1 6.89 0.007 . 1 . . . . . . . . 4902 1 132 . 1 1 14 14 ALA HA H 1 4.11 0.007 . 1 . . . . . . . . 4902 1 133 . 1 1 14 14 ALA HB1 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 134 . 1 1 14 14 ALA HB2 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 135 . 1 1 14 14 ALA HB3 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 136 . 1 1 14 14 ALA C C 13 177.82 0.293 . 1 . . . . . . . . 4902 1 137 . 1 1 14 14 ALA CA C 13 54.02 0.293 . 1 . . . . . . . . 4902 1 138 . 1 1 14 14 ALA CB C 13 18.22 0.293 . 1 . . . . . . . . 4902 1 139 . 1 1 14 14 ALA N N 15 119.46 0.313 . 1 . . . . . . . . 4902 1 140 . 1 1 15 15 VAL H H 1 7.23 0.007 . 1 . . . . . . . . 4902 1 141 . 1 1 15 15 VAL HA H 1 4.08 0.007 . 1 . . . . . . . . 4902 1 142 . 1 1 15 15 VAL HB H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 143 . 1 1 15 15 VAL HG11 H 1 0.93 0.007 . 2 . . . . . . . . 4902 1 144 . 1 1 15 15 VAL HG12 H 1 0.93 0.007 . 2 . . . . . . . . 4902 1 145 . 1 1 15 15 VAL HG13 H 1 0.93 0.007 . 2 . . . . . . . . 4902 1 146 . 1 1 15 15 VAL HG21 H 1 0.81 0.007 . 2 . . . . . . . . 4902 1 147 . 1 1 15 15 VAL HG22 H 1 0.81 0.007 . 2 . . . . . . . . 4902 1 148 . 1 1 15 15 VAL HG23 H 1 0.81 0.007 . 2 . . . . . . . . 4902 1 149 . 1 1 15 15 VAL C C 13 179.52 0.293 . 1 . . . . . . . . 4902 1 150 . 1 1 15 15 VAL CA C 13 62.95 0.293 . 1 . . . . . . . . 4902 1 151 . 1 1 15 15 VAL CB C 13 29.1 0.293 . 1 . . . . . . . . 4902 1 152 . 1 1 15 15 VAL CG1 C 13 24.82 0.293 . 2 . . . . . . . . 4902 1 153 . 1 1 15 15 VAL CG2 C 13 19.91 0.293 . 2 . . . . . . . . 4902 1 154 . 1 1 15 15 VAL N N 15 115.93 0.313 . 1 . . . . . . . . 4902 1 155 . 1 1 16 16 ARG H H 1 6.96 0.007 . 1 . . . . . . . . 4902 1 156 . 1 1 16 16 ARG HA H 1 4.06 0.007 . 1 . . . . . . . . 4902 1 157 . 1 1 16 16 ARG HB2 H 1 1.97 0.007 . 1 . . . . . . . . 4902 1 158 . 1 1 16 16 ARG HB3 H 1 1.97 0.007 . 1 . . . . . . . . 4902 1 159 . 1 1 16 16 ARG HG2 H 1 1.8 0.007 . 1 . . . . . . . . 4902 1 160 . 1 1 16 16 ARG HG3 H 1 1.8 0.007 . 1 . . . . . . . . 4902 1 161 . 1 1 16 16 ARG HD2 H 1 3.05 0.007 . 1 . . . . . . . . 4902 1 162 . 1 1 16 16 ARG HD3 H 1 3.05 0.007 . 1 . . . . . . . . 4902 1 163 . 1 1 16 16 ARG C C 13 179.79 0.293 . 1 . . . . . . . . 4902 1 164 . 1 1 16 16 ARG CA C 13 58.18 0.293 . 1 . . . . . . . . 4902 1 165 . 1 1 16 16 ARG CB C 13 30.36 0.293 . 1 . . . . . . . . 4902 1 166 . 1 1 16 16 ARG CG C 13 26.26 0.293 . 1 . . . . . . . . 4902 1 167 . 1 1 16 16 ARG CD C 13 43.61 0.293 . 1 . . . . . . . . 4902 1 168 . 1 1 16 16 ARG N N 15 117.24 0.313 . 1 . . . . . . . . 4902 1 169 . 1 1 17 17 ARG H H 1 7.79 0.007 . 1 . . . . . . . . 4902 1 170 . 1 1 17 17 ARG HA H 1 3.95 0.007 . 1 . . . . . . . . 4902 1 171 . 1 1 17 17 ARG HB2 H 1 1.61 0.007 . 1 . . . . . . . . 4902 1 172 . 1 1 17 17 ARG HB3 H 1 1.61 0.007 . 1 . . . . . . . . 4902 1 173 . 1 1 17 17 ARG HG2 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 174 . 1 1 17 17 ARG HG3 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 175 . 1 1 17 17 ARG HD2 H 1 3.01 0.007 . 1 . . . . . . . . 4902 1 176 . 1 1 17 17 ARG HD3 H 1 3.01 0.007 . 1 . . . . . . . . 4902 1 177 . 1 1 17 17 ARG C C 13 177.89 0.293 . 1 . . . . . . . . 4902 1 178 . 1 1 17 17 ARG CA C 13 60.59 0.293 . 1 . . . . . . . . 4902 1 179 . 1 1 17 17 ARG CB C 13 31.4 0.293 . 1 . . . . . . . . 4902 1 180 . 1 1 17 17 ARG CG C 13 26.36 0.293 . 1 . . . . . . . . 4902 1 181 . 1 1 17 17 ARG CD C 13 42.3 0.293 . 1 . . . . . . . . 4902 1 182 . 1 1 17 17 ARG N N 15 123.74 0.313 . 1 . . . . . . . . 4902 1 183 . 1 1 18 18 LEU H H 1 7.03 0.007 . 1 . . . . . . . . 4902 1 184 . 1 1 18 18 LEU HA H 1 3.98 0.007 . 1 . . . . . . . . 4902 1 185 . 1 1 18 18 LEU HB2 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 186 . 1 1 18 18 LEU HB3 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 187 . 1 1 18 18 LEU HG H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 188 . 1 1 18 18 LEU HD11 H 1 0.27 0.007 . 1 . . . . . . . . 4902 1 189 . 1 1 18 18 LEU HD12 H 1 0.27 0.007 . 1 . . . . . . . . 4902 1 190 . 1 1 18 18 LEU HD13 H 1 0.27 0.007 . 1 . . . . . . . . 4902 1 191 . 1 1 18 18 LEU HD21 H 1 0.27 0.007 . 1 . . . . . . . . 4902 1 192 . 1 1 18 18 LEU HD22 H 1 0.27 0.007 . 1 . . . . . . . . 4902 1 193 . 1 1 18 18 LEU HD23 H 1 0.27 0.007 . 1 . . . . . . . . 4902 1 194 . 1 1 18 18 LEU C C 13 177.03 0.293 . 1 . . . . . . . . 4902 1 195 . 1 1 18 18 LEU CA C 13 57.54 0.293 . 1 . . . . . . . . 4902 1 196 . 1 1 18 18 LEU CB C 13 41.59 0.293 . 1 . . . . . . . . 4902 1 197 . 1 1 18 18 LEU CG C 13 26.78 0.293 . 1 . . . . . . . . 4902 1 198 . 1 1 18 18 LEU CD1 C 13 25.12 0.293 . 1 . . . . . . . . 4902 1 199 . 1 1 18 18 LEU CD2 C 13 25.12 0.293 . 1 . . . . . . . . 4902 1 200 . 1 1 18 18 LEU N N 15 124 0.313 . 1 . . . . . . . . 4902 1 201 . 1 1 19 19 GLN H H 1 7.85 0.007 . 1 . . . . . . . . 4902 1 202 . 1 1 19 19 GLN HA H 1 3.98 0.007 . 1 . . . . . . . . 4902 1 203 . 1 1 19 19 GLN HB2 H 1 2.12 0.007 . 1 . . . . . . . . 4902 1 204 . 1 1 19 19 GLN HB3 H 1 2.12 0.007 . 1 . . . . . . . . 4902 1 205 . 1 1 19 19 GLN HG2 H 1 2.28 0.007 . 1 . . . . . . . . 4902 1 206 . 1 1 19 19 GLN HG3 H 1 2.28 0.007 . 1 . . . . . . . . 4902 1 207 . 1 1 19 19 GLN HE21 H 1 7.71 0.007 . 1 . . . . . . . . 4902 1 208 . 1 1 19 19 GLN HE22 H 1 6.93 0.007 . 1 . . . . . . . . 4902 1 209 . 1 1 19 19 GLN C C 13 178.8 0.293 . 1 . . . . . . . . 4902 1 210 . 1 1 19 19 GLN CA C 13 55.66 0.293 . 1 . . . . . . . . 4902 1 211 . 1 1 19 19 GLN CB C 13 28.49 0.293 . 1 . . . . . . . . 4902 1 212 . 1 1 19 19 GLN CG C 13 31.4 0.293 . 1 . . . . . . . . 4902 1 213 . 1 1 19 19 GLN N N 15 119.41 0.313 . 1 . . . . . . . . 4902 1 214 . 1 1 20 20 ALA H H 1 7.69 0.007 . 1 . . . . . . . . 4902 1 215 . 1 1 20 20 ALA HA H 1 4.31 0.007 . 1 . . . . . . . . 4902 1 216 . 1 1 20 20 ALA HB1 H 1 0.29 0.007 . 1 . . . . . . . . 4902 1 217 . 1 1 20 20 ALA HB2 H 1 0.29 0.007 . 1 . . . . . . . . 4902 1 218 . 1 1 20 20 ALA HB3 H 1 0.29 0.007 . 1 . . . . . . . . 4902 1 219 . 1 1 20 20 ALA C C 13 179.07 0.293 . 1 . . . . . . . . 4902 1 220 . 1 1 20 20 ALA CA C 13 51.27 0.293 . 1 . . . . . . . . 4902 1 221 . 1 1 20 20 ALA CB C 13 18.4 0.293 . 1 . . . . . . . . 4902 1 222 . 1 1 20 20 ALA N N 15 121.27 0.313 . 1 . . . . . . . . 4902 1 223 . 1 1 21 21 GLU H H 1 9.33 0.007 . 1 . . . . . . . . 4902 1 224 . 1 1 21 21 GLU HA H 1 4.31 0.007 . 1 . . . . . . . . 4902 1 225 . 1 1 21 21 GLU HB2 H 1 1.36 0.007 . 2 . . . . . . . . 4902 1 226 . 1 1 21 21 GLU HB3 H 1 1.25 0.007 . 2 . . . . . . . . 4902 1 227 . 1 1 21 21 GLU HG2 H 1 2.12 0.007 . 1 . . . . . . . . 4902 1 228 . 1 1 21 21 GLU HG3 H 1 2.12 0.007 . 1 . . . . . . . . 4902 1 229 . 1 1 21 21 GLU C C 13 175.13 0.293 . 1 . . . . . . . . 4902 1 230 . 1 1 21 21 GLU CA C 13 56.53 0.293 . 1 . . . . . . . . 4902 1 231 . 1 1 21 21 GLU CB C 13 27.54 0.293 . 1 . . . . . . . . 4902 1 232 . 1 1 21 21 GLU CG C 13 36.4 0.293 . 1 . . . . . . . . 4902 1 233 . 1 1 21 21 GLU N N 15 120.55 0.313 . 1 . . . . . . . . 4902 1 234 . 1 1 22 22 GLY H H 1 7.37 0.007 . 1 . . . . . . . . 4902 1 235 . 1 1 22 22 GLY HA2 H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 236 . 1 1 22 22 GLY HA3 H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 237 . 1 1 22 22 GLY C C 13 173.91 0.293 . 1 . . . . . . . . 4902 1 238 . 1 1 22 22 GLY CA C 13 44.02 0.293 . 1 . . . . . . . . 4902 1 239 . 1 1 22 22 GLY N N 15 108.35 0.313 . 1 . . . . . . . . 4902 1 240 . 1 1 23 23 ASN H H 1 9.99 0.007 . 1 . . . . . . . . 4902 1 241 . 1 1 23 23 ASN HA H 1 4.62 0.007 . 1 . . . . . . . . 4902 1 242 . 1 1 23 23 ASN HB2 H 1 2.82 0.007 . 2 . . . . . . . . 4902 1 243 . 1 1 23 23 ASN HB3 H 1 2.21 0.007 . 2 . . . . . . . . 4902 1 244 . 1 1 23 23 ASN HD21 H 1 7.44 0.007 . 1 . . . . . . . . 4902 1 245 . 1 1 23 23 ASN HD22 H 1 6.79 0.007 . 1 . . . . . . . . 4902 1 246 . 1 1 23 23 ASN C C 13 179.99 0.293 . 1 . . . . . . . . 4902 1 247 . 1 1 23 23 ASN CA C 13 56.83 0.293 . 1 . . . . . . . . 4902 1 248 . 1 1 23 23 ASN CB C 13 40.43 0.293 . 1 . . . . . . . . 4902 1 249 . 1 1 23 23 ASN N N 15 116.54 0.313 . 1 . . . . . . . . 4902 1 250 . 1 1 24 24 ALA H H 1 8.55 0.007 . 1 . . . . . . . . 4902 1 251 . 1 1 24 24 ALA HA H 1 4.09 0.007 . 1 . . . . . . . . 4902 1 252 . 1 1 24 24 ALA HB1 H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 253 . 1 1 24 24 ALA HB2 H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 254 . 1 1 24 24 ALA HB3 H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 255 . 1 1 24 24 ALA C C 13 176.05 0.293 . 1 . . . . . . . . 4902 1 256 . 1 1 24 24 ALA CA C 13 56.78 0.293 . 1 . . . . . . . . 4902 1 257 . 1 1 24 24 ALA CB C 13 18.16 0.293 . 1 . . . . . . . . 4902 1 258 . 1 1 24 24 ALA N N 15 128.76 0.313 . 1 . . . . . . . . 4902 1 259 . 1 1 25 25 THR H H 1 8.64 0.007 . 1 . . . . . . . . 4902 1 260 . 1 1 25 25 THR HA H 1 4.44 0.007 . 1 . . . . . . . . 4902 1 261 . 1 1 25 25 THR HB H 1 4.09 0.007 . 1 . . . . . . . . 4902 1 262 . 1 1 25 25 THR HG21 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 263 . 1 1 25 25 THR HG22 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 264 . 1 1 25 25 THR HG23 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 265 . 1 1 25 25 THR C C 13 176.45 0.293 . 1 . . . . . . . . 4902 1 266 . 1 1 25 25 THR CA C 13 55.87 0.293 . 1 . . . . . . . . 4902 1 267 . 1 1 25 25 THR CB C 13 69.18 0.293 . 1 . . . . . . . . 4902 1 268 . 1 1 25 25 THR CG2 C 13 19.92 0.293 . 1 . . . . . . . . 4902 1 269 . 1 1 25 25 THR N N 15 123.96 0.313 . 1 . . . . . . . . 4902 1 270 . 1 1 26 26 GLY H H 1 8.39 0.007 . 1 . . . . . . . . 4902 1 271 . 1 1 26 26 GLY HA2 H 1 4.09 0.007 . 1 . . . . . . . . 4902 1 272 . 1 1 26 26 GLY HA3 H 1 4.09 0.007 . 1 . . . . . . . . 4902 1 273 . 1 1 26 26 GLY C C 13 177.03 0.293 . 1 . . . . . . . . 4902 1 274 . 1 1 26 26 GLY CA C 13 45.77 0.293 . 1 . . . . . . . . 4902 1 275 . 1 1 26 26 GLY N N 15 111.89 0.313 . 1 . . . . . . . . 4902 1 276 . 1 1 27 27 ALA H H 1 6.9 0.007 . 1 . . . . . . . . 4902 1 277 . 1 1 27 27 ALA HA H 1 4.86 0.007 . 1 . . . . . . . . 4902 1 278 . 1 1 27 27 ALA HB1 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 279 . 1 1 27 27 ALA HB2 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 280 . 1 1 27 27 ALA HB3 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 281 . 1 1 27 27 ALA C C 13 175.15 0.293 . 1 . . . . . . . . 4902 1 282 . 1 1 27 27 ALA CA C 13 51.77 0.293 . 1 . . . . . . . . 4902 1 283 . 1 1 27 27 ALA CB C 13 18.23 0.293 . 1 . . . . . . . . 4902 1 284 . 1 1 27 27 ALA N N 15 122.15 0.313 . 1 . . . . . . . . 4902 1 285 . 1 1 28 28 PHE H H 1 8.45 0.007 . 1 . . . . . . . . 4902 1 286 . 1 1 28 28 PHE HA H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 287 . 1 1 28 28 PHE HB2 H 1 3.05 0.007 . 1 . . . . . . . . 4902 1 288 . 1 1 28 28 PHE HB3 H 1 3.05 0.007 . 1 . . . . . . . . 4902 1 289 . 1 1 28 28 PHE C C 13 171.61 0.293 . 1 . . . . . . . . 4902 1 290 . 1 1 28 28 PHE CA C 13 57.03 0.293 . 1 . . . . . . . . 4902 1 291 . 1 1 28 28 PHE CB C 13 43.84 0.293 . 1 . . . . . . . . 4902 1 292 . 1 1 28 28 PHE N N 15 120.12 0.313 . 1 . . . . . . . . 4902 1 293 . 1 1 29 29 LEU H H 1 7.96 0.007 . 1 . . . . . . . . 4902 1 294 . 1 1 29 29 LEU HA H 1 4.98 0.007 . 1 . . . . . . . . 4902 1 295 . 1 1 29 29 LEU HB2 H 1 1.9 0.007 . 2 . . . . . . . . 4902 1 296 . 1 1 29 29 LEU HB3 H 1 1.7 0.007 . 2 . . . . . . . . 4902 1 297 . 1 1 29 29 LEU HG H 1 1.82 0.007 . 1 . . . . . . . . 4902 1 298 . 1 1 29 29 LEU HD11 H 1 0.84 0.007 . 1 . . . . . . . . 4902 1 299 . 1 1 29 29 LEU HD12 H 1 0.84 0.007 . 1 . . . . . . . . 4902 1 300 . 1 1 29 29 LEU HD13 H 1 0.84 0.007 . 1 . . . . . . . . 4902 1 301 . 1 1 29 29 LEU HD21 H 1 0.59 0.007 . 1 . . . . . . . . 4902 1 302 . 1 1 29 29 LEU HD22 H 1 0.59 0.007 . 1 . . . . . . . . 4902 1 303 . 1 1 29 29 LEU HD23 H 1 0.59 0.007 . 1 . . . . . . . . 4902 1 304 . 1 1 29 29 LEU C C 13 174.03 0.293 . 1 . . . . . . . . 4902 1 305 . 1 1 29 29 LEU CA C 13 56.02 0.293 . 1 . . . . . . . . 4902 1 306 . 1 1 29 29 LEU CB C 13 43.26 0.293 . 1 . . . . . . . . 4902 1 307 . 1 1 29 29 LEU CG C 13 26.03 0.293 . 1 . . . . . . . . 4902 1 308 . 1 1 29 29 LEU CD1 C 13 25.87 0.293 . 1 . . . . . . . . 4902 1 309 . 1 1 29 29 LEU CD2 C 13 23.64 0.293 . 1 . . . . . . . . 4902 1 310 . 1 1 29 29 LEU N N 15 115.12 0.313 . 1 . . . . . . . . 4902 1 311 . 1 1 30 30 ILE H H 1 7.87 0.007 . 1 . . . . . . . . 4902 1 312 . 1 1 30 30 ILE HA H 1 4.09 0.007 . 1 . . . . . . . . 4902 1 313 . 1 1 30 30 ILE HB H 1 1.98 0.007 . 1 . . . . . . . . 4902 1 314 . 1 1 30 30 ILE HG12 H 1 1.54 0.007 . 1 . . . . . . . . 4902 1 315 . 1 1 30 30 ILE HG13 H 1 1.54 0.007 . 1 . . . . . . . . 4902 1 316 . 1 1 30 30 ILE HG21 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 317 . 1 1 30 30 ILE HG22 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 318 . 1 1 30 30 ILE HG23 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 319 . 1 1 30 30 ILE HD11 H 1 0.73 0.007 . 1 . . . . . . . . 4902 1 320 . 1 1 30 30 ILE HD12 H 1 0.73 0.007 . 1 . . . . . . . . 4902 1 321 . 1 1 30 30 ILE HD13 H 1 0.73 0.007 . 1 . . . . . . . . 4902 1 322 . 1 1 30 30 ILE C C 13 173.51 0.293 . 1 . . . . . . . . 4902 1 323 . 1 1 30 30 ILE CA C 13 61.73 0.293 . 1 . . . . . . . . 4902 1 324 . 1 1 30 30 ILE CB C 13 41.5 0.293 . 1 . . . . . . . . 4902 1 325 . 1 1 30 30 ILE CG1 C 13 26.95 0.293 . 2 . . . . . . . . 4902 1 326 . 1 1 30 30 ILE CG2 C 13 17.23 0.293 . 2 . . . . . . . . 4902 1 327 . 1 1 30 30 ILE CD1 C 13 14.07 0.293 . 1 . . . . . . . . 4902 1 328 . 1 1 30 30 ILE N N 15 114.98 0.313 . 1 . . . . . . . . 4902 1 329 . 1 1 31 31 ARG H H 1 7.93 0.007 . 1 . . . . . . . . 4902 1 330 . 1 1 31 31 ARG HA H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 331 . 1 1 31 31 ARG HB2 H 1 1.81 0.007 . 1 . . . . . . . . 4902 1 332 . 1 1 31 31 ARG HB3 H 1 1.81 0.007 . 1 . . . . . . . . 4902 1 333 . 1 1 31 31 ARG HG2 H 1 1.72 0.007 . 1 . . . . . . . . 4902 1 334 . 1 1 31 31 ARG HG3 H 1 1.72 0.007 . 1 . . . . . . . . 4902 1 335 . 1 1 31 31 ARG HD2 H 1 2.78 0.007 . 1 . . . . . . . . 4902 1 336 . 1 1 31 31 ARG HD3 H 1 2.78 0.007 . 1 . . . . . . . . 4902 1 337 . 1 1 31 31 ARG C C 13 173.57 0.293 . 1 . . . . . . . . 4902 1 338 . 1 1 31 31 ARG CA C 13 55.51 0.293 . 1 . . . . . . . . 4902 1 339 . 1 1 31 31 ARG CB C 13 34.47 0.293 . 1 . . . . . . . . 4902 1 340 . 1 1 31 31 ARG CG C 13 29.27 0.293 . 1 . . . . . . . . 4902 1 341 . 1 1 31 31 ARG CD C 13 41.6 0.293 . 1 . . . . . . . . 4902 1 342 . 1 1 31 31 ARG N N 15 117.99 0.313 . 1 . . . . . . . . 4902 1 343 . 1 1 32 32 VAL H H 1 8.64 0.007 . 1 . . . . . . . . 4902 1 344 . 1 1 32 32 VAL HA H 1 3.87 0.007 . 1 . . . . . . . . 4902 1 345 . 1 1 32 32 VAL HB H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 346 . 1 1 32 32 VAL HG11 H 1 1.05 0.007 . 2 . . . . . . . . 4902 1 347 . 1 1 32 32 VAL HG12 H 1 1.05 0.007 . 2 . . . . . . . . 4902 1 348 . 1 1 32 32 VAL HG13 H 1 1.05 0.007 . 2 . . . . . . . . 4902 1 349 . 1 1 32 32 VAL HG21 H 1 0.98 0.007 . 2 . . . . . . . . 4902 1 350 . 1 1 32 32 VAL HG22 H 1 0.98 0.007 . 2 . . . . . . . . 4902 1 351 . 1 1 32 32 VAL HG23 H 1 0.98 0.007 . 2 . . . . . . . . 4902 1 352 . 1 1 32 32 VAL C C 13 174.62 0.293 . 1 . . . . . . . . 4902 1 353 . 1 1 32 32 VAL CA C 13 64.27 0.293 . 1 . . . . . . . . 4902 1 354 . 1 1 32 32 VAL CB C 13 32.47 0.293 . 1 . . . . . . . . 4902 1 355 . 1 1 32 32 VAL CG1 C 13 22.47 0.293 . 2 . . . . . . . . 4902 1 356 . 1 1 32 32 VAL CG2 C 13 21.92 0.293 . 2 . . . . . . . . 4902 1 357 . 1 1 32 32 VAL N N 15 123.03 0.313 . 1 . . . . . . . . 4902 1 358 . 1 1 33 33 SER H H 1 9.03 0.007 . 1 . . . . . . . . 4902 1 359 . 1 1 33 33 SER HA H 1 5.31 0.007 . 1 . . . . . . . . 4902 1 360 . 1 1 33 33 SER HB2 H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 361 . 1 1 33 33 SER HB3 H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 362 . 1 1 33 33 SER C C 13 174.89 0.293 . 1 . . . . . . . . 4902 1 363 . 1 1 33 33 SER CA C 13 56.78 0.293 . 1 . . . . . . . . 4902 1 364 . 1 1 33 33 SER CB C 13 63.76 0.293 . 1 . . . . . . . . 4902 1 365 . 1 1 33 33 SER N N 15 127.62 0.313 . 1 . . . . . . . . 4902 1 366 . 1 1 34 34 GLU H H 1 9.39 0.007 . 1 . . . . . . . . 4902 1 367 . 1 1 34 34 GLU HA H 1 4.19 0.007 . 1 . . . . . . . . 4902 1 368 . 1 1 34 34 GLU HB2 H 1 1.8 0.007 . 1 . . . . . . . . 4902 1 369 . 1 1 34 34 GLU HB3 H 1 1.8 0.007 . 1 . . . . . . . . 4902 1 370 . 1 1 34 34 GLU HG2 H 1 2.23 0.007 . 1 . . . . . . . . 4902 1 371 . 1 1 34 34 GLU HG3 H 1 2.23 0.007 . 1 . . . . . . . . 4902 1 372 . 1 1 34 34 GLU C C 13 174.23 0.293 . 1 . . . . . . . . 4902 1 373 . 1 1 34 34 GLU CA C 13 59.53 0.293 . 1 . . . . . . . . 4902 1 374 . 1 1 34 34 GLU CB C 13 28.71 0.293 . 1 . . . . . . . . 4902 1 375 . 1 1 34 34 GLU CG C 13 37.98 0.293 . 1 . . . . . . . . 4902 1 376 . 1 1 34 34 GLU N N 15 122.95 0.313 . 1 . . . . . . . . 4902 1 377 . 1 1 35 35 LYS H H 1 9.03 0.007 . 1 . . . . . . . . 4902 1 378 . 1 1 35 35 LYS HA H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 379 . 1 1 35 35 LYS HB2 H 1 1.81 0.007 . 1 . . . . . . . . 4902 1 380 . 1 1 35 35 LYS HB3 H 1 1.81 0.007 . 1 . . . . . . . . 4902 1 381 . 1 1 35 35 LYS HG2 H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 382 . 1 1 35 35 LYS HG3 H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 383 . 1 1 35 35 LYS HD2 H 1 1.72 0.007 . 1 . . . . . . . . 4902 1 384 . 1 1 35 35 LYS HD3 H 1 1.72 0.007 . 1 . . . . . . . . 4902 1 385 . 1 1 35 35 LYS HE2 H 1 2.89 0.007 . 1 . . . . . . . . 4902 1 386 . 1 1 35 35 LYS HE3 H 1 2.89 0.007 . 1 . . . . . . . . 4902 1 387 . 1 1 35 35 LYS C C 13 173.42 0.293 . 1 . . . . . . . . 4902 1 388 . 1 1 35 35 LYS CA C 13 54.02 0.293 . 1 . . . . . . . . 4902 1 389 . 1 1 35 35 LYS CB C 13 34.88 0.293 . 1 . . . . . . . . 4902 1 390 . 1 1 35 35 LYS CG C 13 24.61 0.293 . 1 . . . . . . . . 4902 1 391 . 1 1 35 35 LYS CD C 13 28.12 0.293 . 1 . . . . . . . . 4902 1 392 . 1 1 35 35 LYS CE C 13 42.43 0.293 . 1 . . . . . . . . 4902 1 393 . 1 1 35 35 LYS N N 15 125.93 0.313 . 1 . . . . . . . . 4902 1 394 . 1 1 36 36 PRO HA H 1 4.57 0.007 . 1 . . . . . . . . 4902 1 395 . 1 1 36 36 PRO HB2 H 1 2.05 0.007 . 1 . . . . . . . . 4902 1 396 . 1 1 36 36 PRO HB3 H 1 2.05 0.007 . 1 . . . . . . . . 4902 1 397 . 1 1 36 36 PRO HG2 H 1 1.97 0.007 . 1 . . . . . . . . 4902 1 398 . 1 1 36 36 PRO HG3 H 1 1.97 0.007 . 1 . . . . . . . . 4902 1 399 . 1 1 36 36 PRO HD2 H 1 3.57 0.007 . 1 . . . . . . . . 4902 1 400 . 1 1 36 36 PRO HD3 H 1 3.57 0.007 . 1 . . . . . . . . 4902 1 401 . 1 1 36 36 PRO C C 13 174.74 0.293 . 1 . . . . . . . . 4902 1 402 . 1 1 36 36 PRO CA C 13 63.34 0.293 . 1 . . . . . . . . 4902 1 403 . 1 1 36 36 PRO CB C 13 33.31 0.293 . 1 . . . . . . . . 4902 1 404 . 1 1 36 36 PRO CG C 13 27.45 0.293 . 1 . . . . . . . . 4902 1 405 . 1 1 36 36 PRO CD C 13 49.8 0.293 . 1 . . . . . . . . 4902 1 406 . 1 1 37 37 SER H H 1 5.56 0.007 . 1 . . . . . . . . 4902 1 407 . 1 1 37 37 SER HA H 1 4.21 0.007 . 1 . . . . . . . . 4902 1 408 . 1 1 37 37 SER HB2 H 1 4.04 0.007 . 1 . . . . . . . . 4902 1 409 . 1 1 37 37 SER HB3 H 1 4.04 0.007 . 1 . . . . . . . . 4902 1 410 . 1 1 37 37 SER C C 13 175.98 0.293 . 1 . . . . . . . . 4902 1 411 . 1 1 37 37 SER CA C 13 58.01 0.293 . 1 . . . . . . . . 4902 1 412 . 1 1 37 37 SER CB C 13 62.69 0.293 . 1 . . . . . . . . 4902 1 413 . 1 1 37 37 SER N N 15 103.36 0.313 . 1 . . . . . . . . 4902 1 414 . 1 1 38 38 ALA H H 1 7.5 0.007 . 1 . . . . . . . . 4902 1 415 . 1 1 38 38 ALA HA H 1 4.42 0.007 . 1 . . . . . . . . 4902 1 416 . 1 1 38 38 ALA HB1 H 1 1.12 0.007 . 1 . . . . . . . . 4902 1 417 . 1 1 38 38 ALA HB2 H 1 1.12 0.007 . 1 . . . . . . . . 4902 1 418 . 1 1 38 38 ALA HB3 H 1 1.12 0.007 . 1 . . . . . . . . 4902 1 419 . 1 1 38 38 ALA C C 13 179.07 0.293 . 1 . . . . . . . . 4902 1 420 . 1 1 38 38 ALA CA C 13 56.28 0.293 . 1 . . . . . . . . 4902 1 421 . 1 1 38 38 ALA CB C 13 19.5 0.293 . 1 . . . . . . . . 4902 1 422 . 1 1 38 38 ALA N N 15 118.84 0.313 . 1 . . . . . . . . 4902 1 423 . 1 1 39 39 ASP H H 1 9.36 0.007 . 1 . . . . . . . . 4902 1 424 . 1 1 39 39 ASP HA H 1 4.32 0.007 . 1 . . . . . . . . 4902 1 425 . 1 1 39 39 ASP HB2 H 1 2.89 0.007 . 1 . . . . . . . . 4902 1 426 . 1 1 39 39 ASP HB3 H 1 2.89 0.007 . 1 . . . . . . . . 4902 1 427 . 1 1 39 39 ASP C C 13 174.1 0.293 . 1 . . . . . . . . 4902 1 428 . 1 1 39 39 ASP CA C 13 53.04 0.293 . 1 . . . . . . . . 4902 1 429 . 1 1 39 39 ASP CB C 13 39.84 0.293 . 1 . . . . . . . . 4902 1 430 . 1 1 39 39 ASP N N 15 120.65 0.313 . 1 . . . . . . . . 4902 1 431 . 1 1 40 40 TYR H H 1 9.33 0.007 . 1 . . . . . . . . 4902 1 432 . 1 1 40 40 TYR HA H 1 4.86 0.007 . 1 . . . . . . . . 4902 1 433 . 1 1 40 40 TYR HB2 H 1 2.97 0.007 . 1 . . . . . . . . 4902 1 434 . 1 1 40 40 TYR HB3 H 1 2.97 0.007 . 1 . . . . . . . . 4902 1 435 . 1 1 40 40 TYR C C 13 174.43 0.293 . 1 . . . . . . . . 4902 1 436 . 1 1 40 40 TYR CA C 13 57.03 0.293 . 1 . . . . . . . . 4902 1 437 . 1 1 40 40 TYR CB C 13 39.82 0.293 . 1 . . . . . . . . 4902 1 438 . 1 1 40 40 TYR N N 15 117.43 0.313 . 1 . . . . . . . . 4902 1 439 . 1 1 41 41 VAL H H 1 7.26 0.007 . 1 . . . . . . . . 4902 1 440 . 1 1 41 41 VAL HA H 1 4.75 0.007 . 1 . . . . . . . . 4902 1 441 . 1 1 41 41 VAL HB H 1 2.49 0.007 . 1 . . . . . . . . 4902 1 442 . 1 1 41 41 VAL HG11 H 1 0.95 0.007 . 2 . . . . . . . . 4902 1 443 . 1 1 41 41 VAL HG12 H 1 0.95 0.007 . 2 . . . . . . . . 4902 1 444 . 1 1 41 41 VAL HG13 H 1 0.95 0.007 . 2 . . . . . . . . 4902 1 445 . 1 1 41 41 VAL HG21 H 1 0.92 0.007 . 2 . . . . . . . . 4902 1 446 . 1 1 41 41 VAL HG22 H 1 0.92 0.007 . 2 . . . . . . . . 4902 1 447 . 1 1 41 41 VAL HG23 H 1 0.92 0.007 . 2 . . . . . . . . 4902 1 448 . 1 1 41 41 VAL C C 13 172.46 0.293 . 1 . . . . . . . . 4902 1 449 . 1 1 41 41 VAL CA C 13 56.06 0.293 . 1 . . . . . . . . 4902 1 450 . 1 1 41 41 VAL CB C 13 35.05 0.293 . 1 . . . . . . . . 4902 1 451 . 1 1 41 41 VAL CG1 C 13 22.26 0.293 . 1 . . . . . . . . 4902 1 452 . 1 1 41 41 VAL CG2 C 13 22.26 0.293 . 1 . . . . . . . . 4902 1 453 . 1 1 41 41 VAL N N 15 125.06 0.313 . 1 . . . . . . . . 4902 1 454 . 1 1 42 42 LEU H H 1 8.43 0.007 . 1 . . . . . . . . 4902 1 455 . 1 1 42 42 LEU HA H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 456 . 1 1 42 42 LEU HB2 H 1 2.23 0.007 . 1 . . . . . . . . 4902 1 457 . 1 1 42 42 LEU HB3 H 1 2.23 0.007 . 1 . . . . . . . . 4902 1 458 . 1 1 42 42 LEU HG H 1 2.12 0.007 . 1 . . . . . . . . 4902 1 459 . 1 1 42 42 LEU HD11 H 1 0.94 0.007 . 2 . . . . . . . . 4902 1 460 . 1 1 42 42 LEU HD12 H 1 0.94 0.007 . 2 . . . . . . . . 4902 1 461 . 1 1 42 42 LEU HD13 H 1 0.94 0.007 . 2 . . . . . . . . 4902 1 462 . 1 1 42 42 LEU HD21 H 1 0.91 0.007 . 2 . . . . . . . . 4902 1 463 . 1 1 42 42 LEU HD22 H 1 0.91 0.007 . 2 . . . . . . . . 4902 1 464 . 1 1 42 42 LEU HD23 H 1 0.91 0.007 . 2 . . . . . . . . 4902 1 465 . 1 1 42 42 LEU C C 13 174.1 0.293 . 1 . . . . . . . . 4902 1 466 . 1 1 42 42 LEU CA C 13 54.77 0.293 . 1 . . . . . . . . 4902 1 467 . 1 1 42 42 LEU CB C 13 45.5 0.293 . 1 . . . . . . . . 4902 1 468 . 1 1 42 42 LEU CG C 13 25.19 0.293 . 1 . . . . . . . . 4902 1 469 . 1 1 42 42 LEU CD1 C 13 22.23 0.293 . 2 . . . . . . . . 4902 1 470 . 1 1 42 42 LEU CD2 C 13 21.09 0.293 . 2 . . . . . . . . 4902 1 471 . 1 1 42 42 LEU N N 15 116.41 0.313 . 1 . . . . . . . . 4902 1 472 . 1 1 43 43 SER H H 1 9.3 0.007 . 1 . . . . . . . . 4902 1 473 . 1 1 43 43 SER HA H 1 4.53 0.007 . 1 . . . . . . . . 4902 1 474 . 1 1 43 43 SER HB2 H 1 3.89 0.007 . 1 . . . . . . . . 4902 1 475 . 1 1 43 43 SER HB3 H 1 3.89 0.007 . 1 . . . . . . . . 4902 1 476 . 1 1 43 43 SER C C 13 173.67 0.293 . 1 . . . . . . . . 4902 1 477 . 1 1 43 43 SER CA C 13 58.24 0.293 . 1 . . . . . . . . 4902 1 478 . 1 1 43 43 SER CB C 13 63.95 0.293 . 1 . . . . . . . . 4902 1 479 . 1 1 43 43 SER N N 15 118.11 0.313 . 1 . . . . . . . . 4902 1 480 . 1 1 44 44 VAL H H 1 9.26 0.007 . 1 . . . . . . . . 4902 1 481 . 1 1 44 44 VAL HA H 1 5.08 0.007 . 1 . . . . . . . . 4902 1 482 . 1 1 44 44 VAL HB H 1 2.02 0.007 . 1 . . . . . . . . 4902 1 483 . 1 1 44 44 VAL HG11 H 1 0.79 0.007 . 2 . . . . . . . . 4902 1 484 . 1 1 44 44 VAL HG12 H 1 0.79 0.007 . 2 . . . . . . . . 4902 1 485 . 1 1 44 44 VAL HG13 H 1 0.79 0.007 . 2 . . . . . . . . 4902 1 486 . 1 1 44 44 VAL HG21 H 1 0.71 0.007 . 2 . . . . . . . . 4902 1 487 . 1 1 44 44 VAL HG22 H 1 0.71 0.007 . 2 . . . . . . . . 4902 1 488 . 1 1 44 44 VAL HG23 H 1 0.71 0.007 . 2 . . . . . . . . 4902 1 489 . 1 1 44 44 VAL C C 13 174.89 0.293 . 1 . . . . . . . . 4902 1 490 . 1 1 44 44 VAL CA C 13 60.52 0.293 . 1 . . . . . . . . 4902 1 491 . 1 1 44 44 VAL CB C 13 36.81 0.293 . 1 . . . . . . . . 4902 1 492 . 1 1 44 44 VAL CG1 C 13 23.16 0.293 . 2 . . . . . . . . 4902 1 493 . 1 1 44 44 VAL CG2 C 13 22.61 0.293 . 2 . . . . . . . . 4902 1 494 . 1 1 44 44 VAL N N 15 130.49 0.313 . 1 . . . . . . . . 4902 1 495 . 1 1 45 45 ARG H H 1 8.43 0.007 . 1 . . . . . . . . 4902 1 496 . 1 1 45 45 ARG HA H 1 5.19 0.007 . 1 . . . . . . . . 4902 1 497 . 1 1 45 45 ARG HB2 H 1 1.85 0.007 . 2 . . . . . . . . 4902 1 498 . 1 1 45 45 ARG HB3 H 1 1.75 0.007 . 2 . . . . . . . . 4902 1 499 . 1 1 45 45 ARG HG2 H 1 1.63 0.007 . 1 . . . . . . . . 4902 1 500 . 1 1 45 45 ARG HG3 H 1 1.63 0.007 . 1 . . . . . . . . 4902 1 501 . 1 1 45 45 ARG HD2 H 1 3.4 0.007 . 1 . . . . . . . . 4902 1 502 . 1 1 45 45 ARG HD3 H 1 3.4 0.007 . 1 . . . . . . . . 4902 1 503 . 1 1 45 45 ARG C C 13 173.71 0.293 . 1 . . . . . . . . 4902 1 504 . 1 1 45 45 ARG CA C 13 55.28 0.293 . 1 . . . . . . . . 4902 1 505 . 1 1 45 45 ARG CB C 13 31.98 0.293 . 1 . . . . . . . . 4902 1 506 . 1 1 45 45 ARG CG C 13 24.61 0.293 . 1 . . . . . . . . 4902 1 507 . 1 1 45 45 ARG CD C 13 41.01 0.293 . 1 . . . . . . . . 4902 1 508 . 1 1 45 45 ARG N N 15 116.41 0.313 . 1 . . . . . . . . 4902 1 509 . 1 1 46 46 ASP H H 1 8.51 0.007 . 1 . . . . . . . . 4902 1 510 . 1 1 46 46 ASP HA H 1 3.87 0.007 . 1 . . . . . . . . 4902 1 511 . 1 1 46 46 ASP HB2 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 512 . 1 1 46 46 ASP HB3 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 513 . 1 1 46 46 ASP C C 13 178.74 0.293 . 1 . . . . . . . . 4902 1 514 . 1 1 46 46 ASP CA C 13 55.02 0.293 . 1 . . . . . . . . 4902 1 515 . 1 1 46 46 ASP CB C 13 38.67 0.293 . 1 . . . . . . . . 4902 1 516 . 1 1 46 46 ASP N N 15 123.51 0.313 . 1 . . . . . . . . 4902 1 517 . 1 1 47 47 THR H H 1 8.2 0.007 . 1 . . . . . . . . 4902 1 518 . 1 1 47 47 THR HA H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 519 . 1 1 47 47 THR HB H 1 4.09 0.007 . 1 . . . . . . . . 4902 1 520 . 1 1 47 47 THR HG21 H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 521 . 1 1 47 47 THR HG22 H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 522 . 1 1 47 47 THR HG23 H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 523 . 1 1 47 47 THR C C 13 177.69 0.293 . 1 . . . . . . . . 4902 1 524 . 1 1 47 47 THR CA C 13 57.53 0.293 . 1 . . . . . . . . 4902 1 525 . 1 1 47 47 THR CB C 13 68.59 0.293 . 1 . . . . . . . . 4902 1 526 . 1 1 47 47 THR CG2 C 13 20.5 0.293 . 1 . . . . . . . . 4902 1 527 . 1 1 47 47 THR N N 15 127.68 0.313 . 1 . . . . . . . . 4902 1 528 . 1 1 48 48 GLN H H 1 8.51 0.007 . 1 . . . . . . . . 4902 1 529 . 1 1 48 48 GLN HA H 1 3.98 0.007 . 1 . . . . . . . . 4902 1 530 . 1 1 48 48 GLN HB2 H 1 1.7 0.007 . 1 . . . . . . . . 4902 1 531 . 1 1 48 48 GLN HB3 H 1 1.7 0.007 . 1 . . . . . . . . 4902 1 532 . 1 1 48 48 GLN HG2 H 1 1.96 0.007 . 1 . . . . . . . . 4902 1 533 . 1 1 48 48 GLN HG3 H 1 1.96 0.007 . 1 . . . . . . . . 4902 1 534 . 1 1 48 48 GLN HE21 H 1 7.01 0.007 . 1 . . . . . . . . 4902 1 535 . 1 1 48 48 GLN HE22 H 1 6.7 0.007 . 1 . . . . . . . . 4902 1 536 . 1 1 48 48 GLN C C 13 178.8 0.293 . 1 . . . . . . . . 4902 1 537 . 1 1 48 48 GLN CA C 13 57.51 0.293 . 1 . . . . . . . . 4902 1 538 . 1 1 48 48 GLN CB C 13 27.49 0.293 . 1 . . . . . . . . 4902 1 539 . 1 1 48 48 GLN CG C 13 30.41 0.293 . 1 . . . . . . . . 4902 1 540 . 1 1 48 48 GLN N N 15 125.78 0.313 . 1 . . . . . . . . 4902 1 541 . 1 1 49 49 ALA H H 1 7.69 0.007 . 1 . . . . . . . . 4902 1 542 . 1 1 49 49 ALA HA H 1 4.33 0.007 . 1 . . . . . . . . 4902 1 543 . 1 1 49 49 ALA HB1 H 1 0.92 0.007 . 1 . . . . . . . . 4902 1 544 . 1 1 49 49 ALA HB2 H 1 0.92 0.007 . 1 . . . . . . . . 4902 1 545 . 1 1 49 49 ALA HB3 H 1 0.92 0.007 . 1 . . . . . . . . 4902 1 546 . 1 1 49 49 ALA C C 13 176.92 0.293 . 1 . . . . . . . . 4902 1 547 . 1 1 49 49 ALA CA C 13 51.27 0.293 . 1 . . . . . . . . 4902 1 548 . 1 1 49 49 ALA CB C 13 18.75 0.293 . 1 . . . . . . . . 4902 1 549 . 1 1 49 49 ALA N N 15 121.27 0.313 . 1 . . . . . . . . 4902 1 550 . 1 1 50 50 VAL H H 1 7.99 0.007 . 1 . . . . . . . . 4902 1 551 . 1 1 50 50 VAL HA H 1 5.84 0.007 . 1 . . . . . . . . 4902 1 552 . 1 1 50 50 VAL HB H 1 2.58 0.007 . 1 . . . . . . . . 4902 1 553 . 1 1 50 50 VAL HG11 H 1 1.25 0.007 . 2 . . . . . . . . 4902 1 554 . 1 1 50 50 VAL HG12 H 1 1.25 0.007 . 2 . . . . . . . . 4902 1 555 . 1 1 50 50 VAL HG13 H 1 1.25 0.007 . 2 . . . . . . . . 4902 1 556 . 1 1 50 50 VAL HG21 H 1 1.14 0.007 . 2 . . . . . . . . 4902 1 557 . 1 1 50 50 VAL HG22 H 1 1.14 0.007 . 2 . . . . . . . . 4902 1 558 . 1 1 50 50 VAL HG23 H 1 1.14 0.007 . 2 . . . . . . . . 4902 1 559 . 1 1 50 50 VAL C C 13 174.74 0.293 . 1 . . . . . . . . 4902 1 560 . 1 1 50 50 VAL CA C 13 55.27 0.293 . 1 . . . . . . . . 4902 1 561 . 1 1 50 50 VAL CB C 13 34.47 0.293 . 1 . . . . . . . . 4902 1 562 . 1 1 50 50 VAL CG1 C 13 19.11 0.293 . 2 . . . . . . . . 4902 1 563 . 1 1 50 50 VAL CG2 C 13 18.56 0.293 . 2 . . . . . . . . 4902 1 564 . 1 1 50 50 VAL N N 15 117.2 0.313 . 1 . . . . . . . . 4902 1 565 . 1 1 51 51 ARG H H 1 9.16 0.007 . 1 . . . . . . . . 4902 1 566 . 1 1 51 51 ARG HA H 1 4.97 0.007 . 1 . . . . . . . . 4902 1 567 . 1 1 51 51 ARG HB2 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 568 . 1 1 51 51 ARG HB3 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 569 . 1 1 51 51 ARG HG2 H 1 1.27 0.007 . 1 . . . . . . . . 4902 1 570 . 1 1 51 51 ARG HG3 H 1 1.27 0.007 . 1 . . . . . . . . 4902 1 571 . 1 1 51 51 ARG HD2 H 1 2.79 0.007 . 1 . . . . . . . . 4902 1 572 . 1 1 51 51 ARG HD3 H 1 2.79 0.007 . 1 . . . . . . . . 4902 1 573 . 1 1 51 51 ARG C C 13 174.02 0.293 . 1 . . . . . . . . 4902 1 574 . 1 1 51 51 ARG CA C 13 55.53 0.293 . 1 . . . . . . . . 4902 1 575 . 1 1 51 51 ARG CB C 13 32.71 0.293 . 1 . . . . . . . . 4902 1 576 . 1 1 51 51 ARG CG C 13 28.61 0.293 . 1 . . . . . . . . 4902 1 577 . 1 1 51 51 ARG CD C 13 43.12 0.293 . 1 . . . . . . . . 4902 1 578 . 1 1 51 51 ARG N N 15 115.65 0.313 . 1 . . . . . . . . 4902 1 579 . 1 1 52 52 HIS H H 1 9.42 0.007 . 1 . . . . . . . . 4902 1 580 . 1 1 52 52 HIS HA H 1 5.3 0.007 . 1 . . . . . . . . 4902 1 581 . 1 1 52 52 HIS HB2 H 1 3.57 0.007 . 1 . . . . . . . . 4902 1 582 . 1 1 52 52 HIS HB3 H 1 3.57 0.007 . 1 . . . . . . . . 4902 1 583 . 1 1 52 52 HIS HD2 H 1 7.62 0.007 . 1 . . . . . . . . 4902 1 584 . 1 1 52 52 HIS HE1 H 1 7.73 0.007 . 1 . . . . . . . . 4902 1 585 . 1 1 52 52 HIS C C 13 172.59 0.293 . 1 . . . . . . . . 4902 1 586 . 1 1 52 52 HIS CA C 13 55.03 0.293 . 1 . . . . . . . . 4902 1 587 . 1 1 52 52 HIS CB C 13 32.12 0.293 . 1 . . . . . . . . 4902 1 588 . 1 1 52 52 HIS N N 15 119.56 0.313 . 1 . . . . . . . . 4902 1 589 . 1 1 53 53 TYR H H 1 9.16 0.007 . 1 . . . . . . . . 4902 1 590 . 1 1 53 53 TYR HA H 1 5.32 0.007 . 1 . . . . . . . . 4902 1 591 . 1 1 53 53 TYR HB2 H 1 3.12 0.007 . 1 . . . . . . . . 4902 1 592 . 1 1 53 53 TYR HB3 H 1 3.12 0.007 . 1 . . . . . . . . 4902 1 593 . 1 1 53 53 TYR C C 13 173.57 0.293 . 1 . . . . . . . . 4902 1 594 . 1 1 53 53 TYR CA C 13 50.77 0.293 . 1 . . . . . . . . 4902 1 595 . 1 1 53 53 TYR CB C 13 43.84 0.293 . 1 . . . . . . . . 4902 1 596 . 1 1 53 53 TYR N N 15 123.86 0.313 . 1 . . . . . . . . 4902 1 597 . 1 1 54 54 LYS H H 1 8.39 0.007 . 1 . . . . . . . . 4902 1 598 . 1 1 54 54 LYS HA H 1 4.98 0.007 . 1 . . . . . . . . 4902 1 599 . 1 1 54 54 LYS HB2 H 1 1.73 0.007 . 1 . . . . . . . . 4902 1 600 . 1 1 54 54 LYS HB3 H 1 1.73 0.007 . 1 . . . . . . . . 4902 1 601 . 1 1 54 54 LYS HG2 H 1 1.31 0.007 . 1 . . . . . . . . 4902 1 602 . 1 1 54 54 LYS HG3 H 1 1.31 0.007 . 1 . . . . . . . . 4902 1 603 . 1 1 54 54 LYS HD2 H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 604 . 1 1 54 54 LYS HD3 H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 605 . 1 1 54 54 LYS HE2 H 1 2.89 0.007 . 1 . . . . . . . . 4902 1 606 . 1 1 54 54 LYS HE3 H 1 2.89 0.007 . 1 . . . . . . . . 4902 1 607 . 1 1 54 54 LYS C C 13 172.98 0.293 . 1 . . . . . . . . 4902 1 608 . 1 1 54 54 LYS CA C 13 56.79 0.293 . 1 . . . . . . . . 4902 1 609 . 1 1 54 54 LYS CB C 13 33.29 0.293 . 1 . . . . . . . . 4902 1 610 . 1 1 54 54 LYS CG C 13 25.78 0.293 . 1 . . . . . . . . 4902 1 611 . 1 1 54 54 LYS CD C 13 29.54 0.293 . 1 . . . . . . . . 4902 1 612 . 1 1 54 54 LYS CE C 13 42.36 0.293 . 1 . . . . . . . . 4902 1 613 . 1 1 54 54 LYS N N 15 123.94 0.313 . 1 . . . . . . . . 4902 1 614 . 1 1 55 55 ILE H H 1 7.49 0.007 . 1 . . . . . . . . 4902 1 615 . 1 1 55 55 ILE HA H 1 3.98 0.007 . 1 . . . . . . . . 4902 1 616 . 1 1 55 55 ILE HB H 1 1.85 0.007 . 1 . . . . . . . . 4902 1 617 . 1 1 55 55 ILE HG12 H 1 1.48 0.007 . 1 . . . . . . . . 4902 1 618 . 1 1 55 55 ILE HG13 H 1 1.48 0.007 . 1 . . . . . . . . 4902 1 619 . 1 1 55 55 ILE HG21 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 620 . 1 1 55 55 ILE HG22 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 621 . 1 1 55 55 ILE HG23 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 622 . 1 1 55 55 ILE HD11 H 1 0.72 0.007 . 1 . . . . . . . . 4902 1 623 . 1 1 55 55 ILE HD12 H 1 0.72 0.007 . 1 . . . . . . . . 4902 1 624 . 1 1 55 55 ILE HD13 H 1 0.72 0.007 . 1 . . . . . . . . 4902 1 625 . 1 1 55 55 ILE C C 13 176.92 0.293 . 1 . . . . . . . . 4902 1 626 . 1 1 55 55 ILE CA C 13 57.78 0.293 . 1 . . . . . . . . 4902 1 627 . 1 1 55 55 ILE CB C 13 37.88 0.293 . 1 . . . . . . . . 4902 1 628 . 1 1 55 55 ILE CG1 C 13 25.5 0.293 . 2 . . . . . . . . 4902 1 629 . 1 1 55 55 ILE CG2 C 13 17.19 0.293 . 2 . . . . . . . . 4902 1 630 . 1 1 55 55 ILE CD1 C 13 13.92 0.293 . 1 . . . . . . . . 4902 1 631 . 1 1 55 55 ILE N N 15 120.01 0.313 . 1 . . . . . . . . 4902 1 632 . 1 1 56 56 TRP H H 1 9.07 0.007 . 1 . . . . . . . . 4902 1 633 . 1 1 56 56 TRP HA H 1 4.97 0.007 . 1 . . . . . . . . 4902 1 634 . 1 1 56 56 TRP HB2 H 1 3.55 0.007 . 1 . . . . . . . . 4902 1 635 . 1 1 56 56 TRP HB3 H 1 3.55 0.007 . 1 . . . . . . . . 4902 1 636 . 1 1 56 56 TRP HD1 H 1 7.21 0.007 . 1 . . . . . . . . 4902 1 637 . 1 1 56 56 TRP HE1 H 1 9.91 0.007 . 1 . . . . . . . . 4902 1 638 . 1 1 56 56 TRP C C 13 175.28 0.293 . 1 . . . . . . . . 4902 1 639 . 1 1 56 56 TRP CA C 13 55.03 0.293 . 1 . . . . . . . . 4902 1 640 . 1 1 56 56 TRP CB C 13 29.19 0.293 . 1 . . . . . . . . 4902 1 641 . 1 1 56 56 TRP N N 15 122.54 0.313 . 1 . . . . . . . . 4902 1 642 . 1 1 57 57 ARG H H 1 9.44 0.007 . 1 . . . . . . . . 4902 1 643 . 1 1 57 57 ARG HA H 1 4.09 0.007 . 1 . . . . . . . . 4902 1 644 . 1 1 57 57 ARG HB2 H 1 1.83 0.007 . 1 . . . . . . . . 4902 1 645 . 1 1 57 57 ARG HB3 H 1 1.83 0.007 . 1 . . . . . . . . 4902 1 646 . 1 1 57 57 ARG HG2 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 647 . 1 1 57 57 ARG HG3 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 648 . 1 1 57 57 ARG HD2 H 1 3.55 0.007 . 1 . . . . . . . . 4902 1 649 . 1 1 57 57 ARG HD3 H 1 3.55 0.007 . 1 . . . . . . . . 4902 1 650 . 1 1 57 57 ARG C C 13 176.4 0.293 . 1 . . . . . . . . 4902 1 651 . 1 1 57 57 ARG CA C 13 56.53 0.293 . 1 . . . . . . . . 4902 1 652 . 1 1 57 57 ARG CB C 13 32.71 0.293 . 1 . . . . . . . . 4902 1 653 . 1 1 57 57 ARG CG C 13 27.43 0.293 . 1 . . . . . . . . 4902 1 654 . 1 1 57 57 ARG CD C 13 43.42 0.293 . 1 . . . . . . . . 4902 1 655 . 1 1 57 57 ARG N N 15 128.28 0.313 . 1 . . . . . . . . 4902 1 656 . 1 1 58 58 ARG H H 1 8.79 0.007 . 1 . . . . . . . . 4902 1 657 . 1 1 58 58 ARG HA H 1 5.19 0.007 . 1 . . . . . . . . 4902 1 658 . 1 1 58 58 ARG HB2 H 1 2.25 0.007 . 1 . . . . . . . . 4902 1 659 . 1 1 58 58 ARG HB3 H 1 2.25 0.007 . 1 . . . . . . . . 4902 1 660 . 1 1 58 58 ARG HG2 H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 661 . 1 1 58 58 ARG HG3 H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 662 . 1 1 58 58 ARG HD2 H 1 3.21 0.007 . 1 . . . . . . . . 4902 1 663 . 1 1 58 58 ARG HD3 H 1 3.21 0.007 . 1 . . . . . . . . 4902 1 664 . 1 1 58 58 ARG C C 13 173.3 0.293 . 1 . . . . . . . . 4902 1 665 . 1 1 58 58 ARG CA C 13 51.02 0.293 . 1 . . . . . . . . 4902 1 666 . 1 1 58 58 ARG CB C 13 31.05 0.293 . 1 . . . . . . . . 4902 1 667 . 1 1 58 58 ARG CG C 13 25.78 0.293 . 1 . . . . . . . . 4902 1 668 . 1 1 58 58 ARG CD C 13 40.41 0.293 . 1 . . . . . . . . 4902 1 669 . 1 1 58 58 ARG N N 15 130.79 0.313 . 1 . . . . . . . . 4902 1 670 . 1 1 59 59 ALA H H 1 8.26 0.007 . 1 . . . . . . . . 4902 1 671 . 1 1 59 59 ALA HA H 1 4.01 0.007 . 1 . . . . . . . . 4902 1 672 . 1 1 59 59 ALA HB1 H 1 1.03 0.007 . 1 . . . . . . . . 4902 1 673 . 1 1 59 59 ALA HB2 H 1 1.03 0.007 . 1 . . . . . . . . 4902 1 674 . 1 1 59 59 ALA HB3 H 1 1.03 0.007 . 1 . . . . . . . . 4902 1 675 . 1 1 59 59 ALA C C 13 174.94 0.293 . 1 . . . . . . . . 4902 1 676 . 1 1 59 59 ALA CA C 13 52.79 0.293 . 1 . . . . . . . . 4902 1 677 . 1 1 59 59 ALA CB C 13 16.4 0.293 . 1 . . . . . . . . 4902 1 678 . 1 1 59 59 ALA N N 15 123.28 0.313 . 1 . . . . . . . . 4902 1 679 . 1 1 60 60 GLY H H 1 8.72 0.007 . 1 . . . . . . . . 4902 1 680 . 1 1 60 60 GLY HA2 H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 681 . 1 1 60 60 GLY HA3 H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 682 . 1 1 60 60 GLY C C 13 175.15 0.293 . 1 . . . . . . . . 4902 1 683 . 1 1 60 60 GLY CA C 13 44.01 0.293 . 1 . . . . . . . . 4902 1 684 . 1 1 60 60 GLY N N 15 110.7 0.313 . 1 . . . . . . . . 4902 1 685 . 1 1 61 61 GLY H H 1 8.43 0.007 . 1 . . . . . . . . 4902 1 686 . 1 1 61 61 GLY HA2 H 1 4.86 0.007 . 1 . . . . . . . . 4902 1 687 . 1 1 61 61 GLY HA3 H 1 4.86 0.007 . 1 . . . . . . . . 4902 1 688 . 1 1 61 61 GLY C C 13 175.15 0.293 . 1 . . . . . . . . 4902 1 689 . 1 1 61 61 GLY CA C 13 41.47 0.293 . 1 . . . . . . . . 4902 1 690 . 1 1 61 61 GLY N N 15 111.89 0.313 . 1 . . . . . . . . 4902 1 691 . 1 1 62 62 ARG H H 1 8.45 0.007 . 1 . . . . . . . . 4902 1 692 . 1 1 62 62 ARG HA H 1 4.23 0.007 . 1 . . . . . . . . 4902 1 693 . 1 1 62 62 ARG HB2 H 1 1.8 0.007 . 1 . . . . . . . . 4902 1 694 . 1 1 62 62 ARG HB3 H 1 1.8 0.007 . 1 . . . . . . . . 4902 1 695 . 1 1 62 62 ARG HG2 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 696 . 1 1 62 62 ARG HG3 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 697 . 1 1 62 62 ARG C C 13 176.51 0.293 . 1 . . . . . . . . 4902 1 698 . 1 1 62 62 ARG CA C 13 57.03 0.293 . 1 . . . . . . . . 4902 1 699 . 1 1 62 62 ARG CB C 13 28.71 0.293 . 1 . . . . . . . . 4902 1 700 . 1 1 62 62 ARG CG C 13 23.43 0.293 . 1 . . . . . . . . 4902 1 701 . 1 1 62 62 ARG CD C 13 40.43 0.293 . 1 . . . . . . . . 4902 1 702 . 1 1 62 62 ARG N N 15 119.97 0.313 . 1 . . . . . . . . 4902 1 703 . 1 1 63 63 LEU H H 1 8.36 0.007 . 1 . . . . . . . . 4902 1 704 . 1 1 63 63 LEU HA H 1 4.61 0.007 . 1 . . . . . . . . 4902 1 705 . 1 1 63 63 LEU HB2 H 1 1.56 0.007 . 1 . . . . . . . . 4902 1 706 . 1 1 63 63 LEU HB3 H 1 1.56 0.007 . 1 . . . . . . . . 4902 1 707 . 1 1 63 63 LEU HG H 1 1.55 0.007 . 1 . . . . . . . . 4902 1 708 . 1 1 63 63 LEU HD11 H 1 0.92 0.007 . 2 . . . . . . . . 4902 1 709 . 1 1 63 63 LEU HD12 H 1 0.92 0.007 . 2 . . . . . . . . 4902 1 710 . 1 1 63 63 LEU HD13 H 1 0.92 0.007 . 2 . . . . . . . . 4902 1 711 . 1 1 63 63 LEU HD21 H 1 0.84 0.007 . 2 . . . . . . . . 4902 1 712 . 1 1 63 63 LEU HD22 H 1 0.84 0.007 . 2 . . . . . . . . 4902 1 713 . 1 1 63 63 LEU HD23 H 1 0.84 0.007 . 2 . . . . . . . . 4902 1 714 . 1 1 63 63 LEU C C 13 173.95 0.293 . 1 . . . . . . . . 4902 1 715 . 1 1 63 63 LEU CA C 13 53.27 0.293 . 1 . . . . . . . . 4902 1 716 . 1 1 63 63 LEU CB C 13 42.67 0.293 . 1 . . . . . . . . 4902 1 717 . 1 1 63 63 LEU CG C 13 26.61 0.293 . 1 . . . . . . . . 4902 1 718 . 1 1 63 63 LEU CD1 C 13 24.61 0.293 . 2 . . . . . . . . 4902 1 719 . 1 1 63 63 LEU CD2 C 13 23.45 0.293 . 2 . . . . . . . . 4902 1 720 . 1 1 63 63 LEU N N 15 121.12 0.313 . 1 . . . . . . . . 4902 1 721 . 1 1 64 64 HIS H H 1 7.36 0.007 . 1 . . . . . . . . 4902 1 722 . 1 1 64 64 HIS HA H 1 4.98 0.007 . 1 . . . . . . . . 4902 1 723 . 1 1 64 64 HIS HB2 H 1 3.42 0.007 . 1 . . . . . . . . 4902 1 724 . 1 1 64 64 HIS HD2 H 1 6.92 0.007 . 1 . . . . . . . . 4902 1 725 . 1 1 64 64 HIS HE1 H 1 7.65 0.007 . 1 . . . . . . . . 4902 1 726 . 1 1 64 64 HIS C C 13 174.13 0.293 . 1 . . . . . . . . 4902 1 727 . 1 1 64 64 HIS CA C 13 55.03 0.293 . 1 . . . . . . . . 4902 1 728 . 1 1 64 64 HIS CB C 13 33.64 0.293 . 1 . . . . . . . . 4902 1 729 . 1 1 64 64 HIS N N 15 116.12 0.313 . 1 . . . . . . . . 4902 1 730 . 1 1 65 65 LEU H H 1 7.65 0.007 . 1 . . . . . . . . 4902 1 731 . 1 1 65 65 LEU HA H 1 4.53 0.007 . 1 . . . . . . . . 4902 1 732 . 1 1 65 65 LEU HB2 H 1 1.48 0.007 . 1 . . . . . . . . 4902 1 733 . 1 1 65 65 LEU HB3 H 1 1.48 0.007 . 1 . . . . . . . . 4902 1 734 . 1 1 65 65 LEU HG H 1 1.41 0.007 . 1 . . . . . . . . 4902 1 735 . 1 1 65 65 LEU HD11 H 1 0.37 0.007 . 1 . . . . . . . . 4902 1 736 . 1 1 65 65 LEU HD12 H 1 0.37 0.007 . 1 . . . . . . . . 4902 1 737 . 1 1 65 65 LEU HD13 H 1 0.37 0.007 . 1 . . . . . . . . 4902 1 738 . 1 1 65 65 LEU HD21 H 1 0.37 0.007 . 1 . . . . . . . . 4902 1 739 . 1 1 65 65 LEU HD22 H 1 0.37 0.007 . 1 . . . . . . . . 4902 1 740 . 1 1 65 65 LEU HD23 H 1 0.37 0.007 . 1 . . . . . . . . 4902 1 741 . 1 1 65 65 LEU C C 13 173.55 0.293 . 1 . . . . . . . . 4902 1 742 . 1 1 65 65 LEU CA C 13 52.52 0.293 . 1 . . . . . . . . 4902 1 743 . 1 1 65 65 LEU CB C 13 43.26 0.293 . 1 . . . . . . . . 4902 1 744 . 1 1 65 65 LEU CG C 13 25.19 0.293 . 1 . . . . . . . . 4902 1 745 . 1 1 65 65 LEU CD1 C 13 21.63 0.293 . 1 . . . . . . . . 4902 1 746 . 1 1 65 65 LEU CD2 C 13 21.63 0.293 . 1 . . . . . . . . 4902 1 747 . 1 1 65 65 LEU N N 15 118.59 0.313 . 1 . . . . . . . . 4902 1 748 . 1 1 66 66 ASN H H 1 8.95 0.007 . 1 . . . . . . . . 4902 1 749 . 1 1 66 66 ASN HA H 1 4.26 0.007 . 1 . . . . . . . . 4902 1 750 . 1 1 66 66 ASN HB2 H 1 3.09 0.007 . 1 . . . . . . . . 4902 1 751 . 1 1 66 66 ASN HB3 H 1 3.09 0.007 . 1 . . . . . . . . 4902 1 752 . 1 1 66 66 ASN C C 13 174.92 0.293 . 1 . . . . . . . . 4902 1 753 . 1 1 66 66 ASN CA C 13 55.77 0.293 . 1 . . . . . . . . 4902 1 754 . 1 1 66 66 ASN CB C 13 39.84 0.293 . 1 . . . . . . . . 4902 1 755 . 1 1 66 66 ASN N N 15 116.29 0.313 . 1 . . . . . . . . 4902 1 756 . 1 1 67 67 GLU H H 1 9.08 0.007 . 1 . . . . . . . . 4902 1 757 . 1 1 67 67 GLU HA H 1 4.33 0.007 . 1 . . . . . . . . 4902 1 758 . 1 1 67 67 GLU HB2 H 1 2.19 0.007 . 1 . . . . . . . . 4902 1 759 . 1 1 67 67 GLU HB3 H 1 2.19 0.007 . 1 . . . . . . . . 4902 1 760 . 1 1 67 67 GLU HG2 H 1 2.34 0.007 . 1 . . . . . . . . 4902 1 761 . 1 1 67 67 GLU HG3 H 1 2.34 0.007 . 1 . . . . . . . . 4902 1 762 . 1 1 67 67 GLU C C 13 177.23 0.293 . 1 . . . . . . . . 4902 1 763 . 1 1 67 67 GLU CA C 13 51.77 0.293 . 1 . . . . . . . . 4902 1 764 . 1 1 67 67 GLU CB C 13 29.27 0.293 . 1 . . . . . . . . 4902 1 765 . 1 1 67 67 GLU CG C 13 36.64 0.293 . 1 . . . . . . . . 4902 1 766 . 1 1 67 67 GLU N N 15 118.94 0.313 . 1 . . . . . . . . 4902 1 767 . 1 1 68 68 ALA H H 1 7.6 0.007 . 1 . . . . . . . . 4902 1 768 . 1 1 68 68 ALA HA H 1 4.86 0.007 . 1 . . . . . . . . 4902 1 769 . 1 1 68 68 ALA HB1 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 770 . 1 1 68 68 ALA HB2 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 771 . 1 1 68 68 ALA HB3 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 772 . 1 1 68 68 ALA C C 13 174.21 0.293 . 1 . . . . . . . . 4902 1 773 . 1 1 68 68 ALA CA C 13 59.51 0.293 . 1 . . . . . . . . 4902 1 774 . 1 1 68 68 ALA CB C 13 18.75 0.293 . 1 . . . . . . . . 4902 1 775 . 1 1 68 68 ALA N N 15 123.53 0.313 . 1 . . . . . . . . 4902 1 776 . 1 1 69 69 VAL H H 1 8.08 0.007 . 1 . . . . . . . . 4902 1 777 . 1 1 69 69 VAL HA H 1 4.75 0.007 . 1 . . . . . . . . 4902 1 778 . 1 1 69 69 VAL HB H 1 2.13 0.007 . 1 . . . . . . . . 4902 1 779 . 1 1 69 69 VAL HG11 H 1 0.48 0.007 . 1 . . . . . . . . 4902 1 780 . 1 1 69 69 VAL HG12 H 1 0.48 0.007 . 1 . . . . . . . . 4902 1 781 . 1 1 69 69 VAL HG13 H 1 0.48 0.007 . 1 . . . . . . . . 4902 1 782 . 1 1 69 69 VAL HG21 H 1 0.48 0.007 . 1 . . . . . . . . 4902 1 783 . 1 1 69 69 VAL HG22 H 1 0.48 0.007 . 1 . . . . . . . . 4902 1 784 . 1 1 69 69 VAL HG23 H 1 0.48 0.007 . 1 . . . . . . . . 4902 1 785 . 1 1 69 69 VAL C C 13 175.26 0.293 . 1 . . . . . . . . 4902 1 786 . 1 1 69 69 VAL CA C 13 64.79 0.293 . 1 . . . . . . . . 4902 1 787 . 1 1 69 69 VAL CB C 13 32.59 0.293 . 1 . . . . . . . . 4902 1 788 . 1 1 69 69 VAL CG1 C 13 20.07 0.293 . 1 . . . . . . . . 4902 1 789 . 1 1 69 69 VAL CG2 C 13 20.07 0.293 . 1 . . . . . . . . 4902 1 790 . 1 1 69 69 VAL N N 15 115.64 0.313 . 1 . . . . . . . . 4902 1 791 . 1 1 70 70 SER H H 1 9.75 0.007 . 1 . . . . . . . . 4902 1 792 . 1 1 70 70 SER HA H 1 4.78 0.007 . 1 . . . . . . . . 4902 1 793 . 1 1 70 70 SER HB2 H 1 3.87 0.007 . 1 . . . . . . . . 4902 1 794 . 1 1 70 70 SER HB3 H 1 3.87 0.007 . 1 . . . . . . . . 4902 1 795 . 1 1 70 70 SER C C 13 175.21 0.293 . 1 . . . . . . . . 4902 1 796 . 1 1 70 70 SER CA C 13 54.51 0.293 . 1 . . . . . . . . 4902 1 797 . 1 1 70 70 SER CB C 13 64.94 0.293 . 1 . . . . . . . . 4902 1 798 . 1 1 70 70 SER N N 15 117.1 0.313 . 1 . . . . . . . . 4902 1 799 . 1 1 71 71 PHE H H 1 8.44 0.007 . 1 . . . . . . . . 4902 1 800 . 1 1 71 71 PHE HA H 1 4.33 0.007 . 1 . . . . . . . . 4902 1 801 . 1 1 71 71 PHE HB2 H 1 3.44 0.007 . 1 . . . . . . . . 4902 1 802 . 1 1 71 71 PHE HB3 H 1 3.44 0.007 . 1 . . . . . . . . 4902 1 803 . 1 1 71 71 PHE C C 13 176.72 0.293 . 1 . . . . . . . . 4902 1 804 . 1 1 71 71 PHE CA C 13 51.02 0.293 . 1 . . . . . . . . 4902 1 805 . 1 1 71 71 PHE CB C 13 41.5 0.293 . 1 . . . . . . . . 4902 1 806 . 1 1 71 71 PHE N N 15 126.01 0.313 . 1 . . . . . . . . 4902 1 807 . 1 1 72 72 LEU H H 1 7.8 0.007 . 1 . . . . . . . . 4902 1 808 . 1 1 72 72 LEU HA H 1 4.32 0.007 . 1 . . . . . . . . 4902 1 809 . 1 1 72 72 LEU HB2 H 1 1.68 0.007 . 1 . . . . . . . . 4902 1 810 . 1 1 72 72 LEU HB3 H 1 1.68 0.007 . 1 . . . . . . . . 4902 1 811 . 1 1 72 72 LEU HG H 1 1.68 0.007 . 1 . . . . . . . . 4902 1 812 . 1 1 72 72 LEU HD11 H 1 0.76 0.007 . 2 . . . . . . . . 4902 1 813 . 1 1 72 72 LEU HD12 H 1 0.76 0.007 . 2 . . . . . . . . 4902 1 814 . 1 1 72 72 LEU HD13 H 1 0.76 0.007 . 2 . . . . . . . . 4902 1 815 . 1 1 72 72 LEU HD21 H 1 0.73 0.007 . 2 . . . . . . . . 4902 1 816 . 1 1 72 72 LEU HD22 H 1 0.73 0.007 . 2 . . . . . . . . 4902 1 817 . 1 1 72 72 LEU HD23 H 1 0.73 0.007 . 2 . . . . . . . . 4902 1 818 . 1 1 72 72 LEU C C 13 174.36 0.293 . 1 . . . . . . . . 4902 1 819 . 1 1 72 72 LEU CA C 13 55.27 0.293 . 1 . . . . . . . . 4902 1 820 . 1 1 72 72 LEU CB C 13 41.67 0.293 . 1 . . . . . . . . 4902 1 821 . 1 1 72 72 LEU CG C 13 25.37 0.293 . 1 . . . . . . . . 4902 1 822 . 1 1 72 72 LEU CD1 C 13 23.21 0.293 . 2 . . . . . . . . 4902 1 823 . 1 1 72 72 LEU CD2 C 13 22.53 0.293 . 2 . . . . . . . . 4902 1 824 . 1 1 72 72 LEU N N 15 113.66 0.313 . 1 . . . . . . . . 4902 1 825 . 1 1 73 73 SER H H 1 7.54 0.007 . 1 . . . . . . . . 4902 1 826 . 1 1 73 73 SER HA H 1 4.8 0.007 . 1 . . . . . . . . 4902 1 827 . 1 1 73 73 SER HB2 H 1 3.77 0.007 . 1 . . . . . . . . 4902 1 828 . 1 1 73 73 SER HB3 H 1 3.77 0.007 . 1 . . . . . . . . 4902 1 829 . 1 1 73 73 SER C C 13 179.92 0.293 . 1 . . . . . . . . 4902 1 830 . 1 1 73 73 SER CA C 13 60.03 0.293 . 1 . . . . . . . . 4902 1 831 . 1 1 73 73 SER CB C 13 65.18 0.293 . 1 . . . . . . . . 4902 1 832 . 1 1 73 73 SER N N 15 111.79 0.313 . 1 . . . . . . . . 4902 1 833 . 1 1 74 74 LEU H H 1 9.08 0.007 . 1 . . . . . . . . 4902 1 834 . 1 1 74 74 LEU HA H 1 3.87 0.007 . 1 . . . . . . . . 4902 1 835 . 1 1 74 74 LEU HB2 H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 836 . 1 1 74 74 LEU HB3 H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 837 . 1 1 74 74 LEU HG H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 838 . 1 1 74 74 LEU HD11 H 1 0.75 0.007 . 2 . . . . . . . . 4902 1 839 . 1 1 74 74 LEU HD12 H 1 0.75 0.007 . 2 . . . . . . . . 4902 1 840 . 1 1 74 74 LEU HD13 H 1 0.75 0.007 . 2 . . . . . . . . 4902 1 841 . 1 1 74 74 LEU HD21 H 1 0.71 0.007 . 2 . . . . . . . . 4902 1 842 . 1 1 74 74 LEU HD22 H 1 0.71 0.007 . 2 . . . . . . . . 4902 1 843 . 1 1 74 74 LEU HD23 H 1 0.71 0.007 . 2 . . . . . . . . 4902 1 844 . 1 1 74 74 LEU C C 13 177.51 0.293 . 1 . . . . . . . . 4902 1 845 . 1 1 74 74 LEU CA C 13 59.03 0.293 . 1 . . . . . . . . 4902 1 846 . 1 1 74 74 LEU CB C 13 43.84 0.293 . 1 . . . . . . . . 4902 1 847 . 1 1 74 74 LEU CG C 13 26.43 0.293 . 1 . . . . . . . . 4902 1 848 . 1 1 74 74 LEU CD1 C 13 23.45 0.293 . 2 . . . . . . . . 4902 1 849 . 1 1 74 74 LEU CD2 C 13 22.21 0.293 . 2 . . . . . . . . 4902 1 850 . 1 1 74 74 LEU N N 15 122.6 0.313 . 1 . . . . . . . . 4902 1 851 . 1 1 75 75 PRO HA H 1 3.38 0.007 . 1 . . . . . . . . 4902 1 852 . 1 1 75 75 PRO HB2 H 1 1.41 0.007 . 1 . . . . . . . . 4902 1 853 . 1 1 75 75 PRO HB3 H 1 1.41 0.007 . 1 . . . . . . . . 4902 1 854 . 1 1 75 75 PRO HG2 H 1 1.35 0.007 . 1 . . . . . . . . 4902 1 855 . 1 1 75 75 PRO HG3 H 1 1.35 0.007 . 1 . . . . . . . . 4902 1 856 . 1 1 75 75 PRO HD2 H 1 3.81 0.007 . 1 . . . . . . . . 4902 1 857 . 1 1 75 75 PRO HD3 H 1 3.81 0.007 . 1 . . . . . . . . 4902 1 858 . 1 1 75 75 PRO C C 13 178.02 0.293 . 1 . . . . . . . . 4902 1 859 . 1 1 75 75 PRO CA C 13 66.71 0.293 . 1 . . . . . . . . 4902 1 860 . 1 1 75 75 PRO CB C 13 32.11 0.293 . 1 . . . . . . . . 4902 1 861 . 1 1 75 75 PRO CG C 13 27.51 0.293 . 1 . . . . . . . . 4902 1 862 . 1 1 75 75 PRO CD C 13 49.13 0.293 . 1 . . . . . . . . 4902 1 863 . 1 1 76 76 GLU H H 1 8.83 0.007 . 1 . . . . . . . . 4902 1 864 . 1 1 76 76 GLU HA H 1 4.36 0.007 . 1 . . . . . . . . 4902 1 865 . 1 1 76 76 GLU HB2 H 1 1.8 0.007 . 1 . . . . . . . . 4902 1 866 . 1 1 76 76 GLU HB3 H 1 1.8 0.007 . 1 . . . . . . . . 4902 1 867 . 1 1 76 76 GLU HG2 H 1 2.02 0.007 . 1 . . . . . . . . 4902 1 868 . 1 1 76 76 GLU HG3 H 1 2.02 0.007 . 1 . . . . . . . . 4902 1 869 . 1 1 76 76 GLU C C 13 179.13 0.293 . 1 . . . . . . . . 4902 1 870 . 1 1 76 76 GLU CA C 13 58.33 0.293 . 1 . . . . . . . . 4902 1 871 . 1 1 76 76 GLU CB C 13 29.05 0.293 . 1 . . . . . . . . 4902 1 872 . 1 1 76 76 GLU CG C 13 35.95 0.293 . 1 . . . . . . . . 4902 1 873 . 1 1 76 76 GLU N N 15 124.67 0.313 . 1 . . . . . . . . 4902 1 874 . 1 1 77 77 LEU H H 1 7.7 0.007 . 1 . . . . . . . . 4902 1 875 . 1 1 77 77 LEU HA H 1 3.73 0.007 . 1 . . . . . . . . 4902 1 876 . 1 1 77 77 LEU HB2 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 877 . 1 1 77 77 LEU HB3 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 878 . 1 1 77 77 LEU HG H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 879 . 1 1 77 77 LEU HD11 H 1 0.77 0.007 . 2 . . . . . . . . 4902 1 880 . 1 1 77 77 LEU HD12 H 1 0.77 0.007 . 2 . . . . . . . . 4902 1 881 . 1 1 77 77 LEU HD13 H 1 0.77 0.007 . 2 . . . . . . . . 4902 1 882 . 1 1 77 77 LEU HD21 H 1 0.74 0.007 . 2 . . . . . . . . 4902 1 883 . 1 1 77 77 LEU HD22 H 1 0.74 0.007 . 2 . . . . . . . . 4902 1 884 . 1 1 77 77 LEU HD23 H 1 0.74 0.007 . 2 . . . . . . . . 4902 1 885 . 1 1 77 77 LEU C C 13 177.79 0.293 . 1 . . . . . . . . 4902 1 886 . 1 1 77 77 LEU CA C 13 59.03 0.293 . 1 . . . . . . . . 4902 1 887 . 1 1 77 77 LEU CB C 13 41.19 0.293 . 1 . . . . . . . . 4902 1 888 . 1 1 77 77 LEU CG C 13 24.98 0.293 . 1 . . . . . . . . 4902 1 889 . 1 1 77 77 LEU CD1 C 13 21.5 0.293 . 2 . . . . . . . . 4902 1 890 . 1 1 77 77 LEU CD2 C 13 21.23 0.293 . 2 . . . . . . . . 4902 1 891 . 1 1 77 77 LEU N N 15 118.05 0.313 . 1 . . . . . . . . 4902 1 892 . 1 1 78 78 VAL H H 1 8.36 0.007 . 1 . . . . . . . . 4902 1 893 . 1 1 78 78 VAL HA H 1 3.83 0.007 . 1 . . . . . . . . 4902 1 894 . 1 1 78 78 VAL HB H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 895 . 1 1 78 78 VAL HG11 H 1 0.82 0.007 . 2 . . . . . . . . 4902 1 896 . 1 1 78 78 VAL HG12 H 1 0.82 0.007 . 2 . . . . . . . . 4902 1 897 . 1 1 78 78 VAL HG13 H 1 0.82 0.007 . 2 . . . . . . . . 4902 1 898 . 1 1 78 78 VAL HG21 H 1 0.81 0.007 . 2 . . . . . . . . 4902 1 899 . 1 1 78 78 VAL HG22 H 1 0.81 0.007 . 2 . . . . . . . . 4902 1 900 . 1 1 78 78 VAL HG23 H 1 0.81 0.007 . 2 . . . . . . . . 4902 1 901 . 1 1 78 78 VAL C C 13 178.51 0.293 . 1 . . . . . . . . 4902 1 902 . 1 1 78 78 VAL CA C 13 64.28 0.293 . 1 . . . . . . . . 4902 1 903 . 1 1 78 78 VAL CB C 13 27.59 0.293 . 1 . . . . . . . . 4902 1 904 . 1 1 78 78 VAL CG1 C 13 18.92 0.293 . 2 . . . . . . . . 4902 1 905 . 1 1 78 78 VAL CG2 C 13 18.9 0.293 . 2 . . . . . . . . 4902 1 906 . 1 1 78 78 VAL N N 15 116.61 0.313 . 1 . . . . . . . . 4902 1 907 . 1 1 79 79 ASN H H 1 8.39 0.007 . 1 . . . . . . . . 4902 1 908 . 1 1 79 79 ASN HA H 1 3.94 0.007 . 1 . . . . . . . . 4902 1 909 . 1 1 79 79 ASN HB2 H 1 2.81 0.007 . 1 . . . . . . . . 4902 1 910 . 1 1 79 79 ASN HB3 H 1 2.81 0.007 . 1 . . . . . . . . 4902 1 911 . 1 1 79 79 ASN HD21 H 1 7.1 0.007 . 1 . . . . . . . . 4902 1 912 . 1 1 79 79 ASN HD22 H 1 6.52 0.007 . 1 . . . . . . . . 4902 1 913 . 1 1 79 79 ASN C C 13 179.03 0.293 . 1 . . . . . . . . 4902 1 914 . 1 1 79 79 ASN CA C 13 54.52 0.293 . 1 . . . . . . . . 4902 1 915 . 1 1 79 79 ASN CB C 13 37.01 0.293 . 1 . . . . . . . . 4902 1 916 . 1 1 79 79 ASN N N 15 121.77 0.313 . 1 . . . . . . . . 4902 1 917 . 1 1 80 80 TYR H H 1 7.8 0.007 . 1 . . . . . . . . 4902 1 918 . 1 1 80 80 TYR HA H 1 4.39 0.007 . 1 . . . . . . . . 4902 1 919 . 1 1 80 80 TYR HB2 H 1 2.8 0.007 . 1 . . . . . . . . 4902 1 920 . 1 1 80 80 TYR HB3 H 1 2.8 0.007 . 1 . . . . . . . . 4902 1 921 . 1 1 80 80 TYR C C 13 177.79 0.293 . 1 . . . . . . . . 4902 1 922 . 1 1 80 80 TYR CA C 13 58.52 0.293 . 1 . . . . . . . . 4902 1 923 . 1 1 80 80 TYR CB C 13 39.51 0.293 . 1 . . . . . . . . 4902 1 924 . 1 1 80 80 TYR N N 15 122.97 0.313 . 1 . . . . . . . . 4902 1 925 . 1 1 81 81 HIS H H 1 7.94 0.007 . 1 . . . . . . . . 4902 1 926 . 1 1 81 81 HIS HA H 1 4.52 0.007 . 1 . . . . . . . . 4902 1 927 . 1 1 81 81 HIS HB2 H 1 3.12 0.007 . 1 . . . . . . . . 4902 1 928 . 1 1 81 81 HIS HB3 H 1 3.12 0.007 . 1 . . . . . . . . 4902 1 929 . 1 1 81 81 HIS HD2 H 1 6.93 0.007 . 1 . . . . . . . . 4902 1 930 . 1 1 81 81 HIS HE1 H 1 7.62 0.007 . 1 . . . . . . . . 4902 1 931 . 1 1 81 81 HIS C C 13 177.79 0.293 . 1 . . . . . . . . 4902 1 932 . 1 1 81 81 HIS CA C 13 58.77 0.293 . 1 . . . . . . . . 4902 1 933 . 1 1 81 81 HIS CB C 13 33.54 0.293 . 1 . . . . . . . . 4902 1 934 . 1 1 81 81 HIS N N 15 117.31 0.313 . 1 . . . . . . . . 4902 1 935 . 1 1 82 82 ARG H H 1 8.01 0.007 . 1 . . . . . . . . 4902 1 936 . 1 1 82 82 ARG HA H 1 4.39 0.007 . 1 . . . . . . . . 4902 1 937 . 1 1 82 82 ARG HB2 H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 938 . 1 1 82 82 ARG HB3 H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 939 . 1 1 82 82 ARG HG2 H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 940 . 1 1 82 82 ARG HG3 H 1 1.47 0.007 . 1 . . . . . . . . 4902 1 941 . 1 1 82 82 ARG HD2 H 1 3.11 0.007 . 1 . . . . . . . . 4902 1 942 . 1 1 82 82 ARG HD3 H 1 3.11 0.007 . 1 . . . . . . . . 4902 1 943 . 1 1 82 82 ARG C C 13 178.05 0.293 . 1 . . . . . . . . 4902 1 944 . 1 1 82 82 ARG CA C 13 58.74 0.293 . 1 . . . . . . . . 4902 1 945 . 1 1 82 82 ARG CB C 13 27.54 0.293 . 1 . . . . . . . . 4902 1 946 . 1 1 82 82 ARG CG C 13 25.19 0.293 . 1 . . . . . . . . 4902 1 947 . 1 1 82 82 ARG CD C 13 40.37 0.293 . 1 . . . . . . . . 4902 1 948 . 1 1 82 82 ARG N N 15 118.59 0.313 . 1 . . . . . . . . 4902 1 949 . 1 1 83 83 ALA H H 1 8.6 0.007 . 1 . . . . . . . . 4902 1 950 . 1 1 83 83 ALA HA H 1 3.84 0.007 . 1 . . . . . . . . 4902 1 951 . 1 1 83 83 ALA HB1 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 952 . 1 1 83 83 ALA HB2 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 953 . 1 1 83 83 ALA HB3 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 954 . 1 1 83 83 ALA C C 13 179.43 0.293 . 1 . . . . . . . . 4902 1 955 . 1 1 83 83 ALA CA C 13 56.52 0.293 . 1 . . . . . . . . 4902 1 956 . 1 1 83 83 ALA CB C 13 17.82 0.293 . 1 . . . . . . . . 4902 1 957 . 1 1 83 83 ALA N N 15 125.87 0.313 . 1 . . . . . . . . 4902 1 958 . 1 1 84 84 GLN H H 1 9.74 0.007 . 1 . . . . . . . . 4902 1 959 . 1 1 84 84 GLN HA H 1 4.66 0.007 . 1 . . . . . . . . 4902 1 960 . 1 1 84 84 GLN HB2 H 1 2.11 0.007 . 1 . . . . . . . . 4902 1 961 . 1 1 84 84 GLN HB3 H 1 2.11 0.007 . 1 . . . . . . . . 4902 1 962 . 1 1 84 84 GLN HG2 H 1 2.45 0.007 . 1 . . . . . . . . 4902 1 963 . 1 1 84 84 GLN HG3 H 1 2.45 0.007 . 1 . . . . . . . . 4902 1 964 . 1 1 84 84 GLN HE21 H 1 7.65 0.007 . 1 . . . . . . . . 4902 1 965 . 1 1 84 84 GLN HE22 H 1 6.93 0.007 . 1 . . . . . . . . 4902 1 966 . 1 1 84 84 GLN C C 13 176.36 0.293 . 1 . . . . . . . . 4902 1 967 . 1 1 84 84 GLN CA C 13 52.74 0.293 . 1 . . . . . . . . 4902 1 968 . 1 1 84 84 GLN CB C 13 30.36 0.293 . 1 . . . . . . . . 4902 1 969 . 1 1 84 84 GLN CG C 13 33.98 0.293 . 1 . . . . . . . . 4902 1 970 . 1 1 84 84 GLN N N 15 123.78 0.313 . 1 . . . . . . . . 4902 1 971 . 1 1 85 85 SER H H 1 7.97 0.007 . 1 . . . . . . . . 4902 1 972 . 1 1 85 85 SER HA H 1 4.49 0.007 . 1 . . . . . . . . 4902 1 973 . 1 1 85 85 SER HB2 H 1 3.35 0.007 . 1 . . . . . . . . 4902 1 974 . 1 1 85 85 SER HB3 H 1 3.35 0.007 . 1 . . . . . . . . 4902 1 975 . 1 1 85 85 SER C C 13 176.67 0.293 . 1 . . . . . . . . 4902 1 976 . 1 1 85 85 SER CA C 13 56.26 0.293 . 1 . . . . . . . . 4902 1 977 . 1 1 85 85 SER CB C 13 64.35 0.293 . 1 . . . . . . . . 4902 1 978 . 1 1 85 85 SER N N 15 118.88 0.313 . 1 . . . . . . . . 4902 1 979 . 1 1 86 86 LEU H H 1 8.48 0.007 . 1 . . . . . . . . 4902 1 980 . 1 1 86 86 LEU HA H 1 4.53 0.007 . 1 . . . . . . . . 4902 1 981 . 1 1 86 86 LEU HB2 H 1 2.22 0.007 . 1 . . . . . . . . 4902 1 982 . 1 1 86 86 LEU HB3 H 1 2.22 0.007 . 1 . . . . . . . . 4902 1 983 . 1 1 86 86 LEU HG H 1 2.12 0.007 . 1 . . . . . . . . 4902 1 984 . 1 1 86 86 LEU HD11 H 1 0.98 0.007 . 2 . . . . . . . . 4902 1 985 . 1 1 86 86 LEU HD12 H 1 0.98 0.007 . 2 . . . . . . . . 4902 1 986 . 1 1 86 86 LEU HD13 H 1 0.98 0.007 . 2 . . . . . . . . 4902 1 987 . 1 1 86 86 LEU HD21 H 1 0.93 0.007 . 2 . . . . . . . . 4902 1 988 . 1 1 86 86 LEU HD22 H 1 0.93 0.007 . 2 . . . . . . . . 4902 1 989 . 1 1 86 86 LEU HD23 H 1 0.93 0.007 . 2 . . . . . . . . 4902 1 990 . 1 1 86 86 LEU C C 13 175.57 0.293 . 1 . . . . . . . . 4902 1 991 . 1 1 86 86 LEU CA C 13 57.53 0.293 . 1 . . . . . . . . 4902 1 992 . 1 1 86 86 LEU CB C 13 41.52 0.293 . 1 . . . . . . . . 4902 1 993 . 1 1 86 86 LEU CG C 13 25.19 0.293 . 1 . . . . . . . . 4902 1 994 . 1 1 86 86 LEU CD1 C 13 22.39 0.293 . 2 . . . . . . . . 4902 1 995 . 1 1 86 86 LEU CD2 C 13 21.09 0.293 . 2 . . . . . . . . 4902 1 996 . 1 1 86 86 LEU N N 15 124.98 0.313 . 1 . . . . . . . . 4902 1 997 . 1 1 87 87 SER H H 1 5.79 0.007 . 1 . . . . . . . . 4902 1 998 . 1 1 87 87 SER HA H 1 4.52 0.007 . 1 . . . . . . . . 4902 1 999 . 1 1 87 87 SER HB2 H 1 3.48 0.007 . 1 . . . . . . . . 4902 1 1000 . 1 1 87 87 SER HB3 H 1 3.48 0.007 . 1 . . . . . . . . 4902 1 1001 . 1 1 87 87 SER C C 13 176.82 0.293 . 1 . . . . . . . . 4902 1 1002 . 1 1 87 87 SER CA C 13 52.52 0.293 . 1 . . . . . . . . 4902 1 1003 . 1 1 87 87 SER CB C 13 64.94 0.293 . 1 . . . . . . . . 4902 1 1004 . 1 1 87 87 SER N N 15 108.06 0.313 . 1 . . . . . . . . 4902 1 1005 . 1 1 88 88 HIS H H 1 9.32 0.007 . 1 . . . . . . . . 4902 1 1006 . 1 1 88 88 HIS HA H 1 4.52 0.007 . 1 . . . . . . . . 4902 1 1007 . 1 1 88 88 HIS HB2 H 1 3.22 0.007 . 1 . . . . . . . . 4902 1 1008 . 1 1 88 88 HIS HB3 H 1 3.22 0.007 . 1 . . . . . . . . 4902 1 1009 . 1 1 88 88 HIS HD2 H 1 7.01 0.007 . 1 . . . . . . . . 4902 1 1010 . 1 1 88 88 HIS HE1 H 1 8.02 0.007 . 1 . . . . . . . . 4902 1 1011 . 1 1 88 88 HIS C C 13 176.03 0.293 . 1 . . . . . . . . 4902 1 1012 . 1 1 88 88 HIS CA C 13 58.03 0.293 . 1 . . . . . . . . 4902 1 1013 . 1 1 88 88 HIS CB C 13 31.54 0.293 . 1 . . . . . . . . 4902 1 1014 . 1 1 88 88 HIS N N 15 126.09 0.313 . 1 . . . . . . . . 4902 1 1015 . 1 1 89 89 GLY H H 1 8.52 0.007 . 1 . . . . . . . . 4902 1 1016 . 1 1 89 89 GLY HA2 H 1 4.62 0.007 . 1 . . . . . . . . 4902 1 1017 . 1 1 89 89 GLY HA3 H 1 4.62 0.007 . 1 . . . . . . . . 4902 1 1018 . 1 1 89 89 GLY C C 13 174.13 0.293 . 1 . . . . . . . . 4902 1 1019 . 1 1 89 89 GLY CA C 13 45.13 0.293 . 1 . . . . . . . . 4902 1 1020 . 1 1 89 89 GLY N N 15 106.62 0.313 . 1 . . . . . . . . 4902 1 1021 . 1 1 90 90 LEU H H 1 7.95 0.007 . 1 . . . . . . . . 4902 1 1022 . 1 1 90 90 LEU HA H 1 3.98 0.007 . 1 . . . . . . . . 4902 1 1023 . 1 1 90 90 LEU HB2 H 1 1.8 0.007 . 1 . . . . . . . . 4902 1 1024 . 1 1 90 90 LEU HB3 H 1 1.8 0.007 . 1 . . . . . . . . 4902 1 1025 . 1 1 90 90 LEU HG H 1 1.56 0.007 . 1 . . . . . . . . 4902 1 1026 . 1 1 90 90 LEU HD11 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 1027 . 1 1 90 90 LEU HD12 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 1028 . 1 1 90 90 LEU HD13 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 1029 . 1 1 90 90 LEU HD21 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 1030 . 1 1 90 90 LEU HD22 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 1031 . 1 1 90 90 LEU HD23 H 1 0.88 0.007 . 1 . . . . . . . . 4902 1 1032 . 1 1 90 90 LEU C C 13 176.95 0.293 . 1 . . . . . . . . 4902 1 1033 . 1 1 90 90 LEU CA C 13 52.73 0.293 . 1 . . . . . . . . 4902 1 1034 . 1 1 90 90 LEU CB C 13 44.43 0.293 . 1 . . . . . . . . 4902 1 1035 . 1 1 90 90 LEU CG C 13 24.61 0.293 . 1 . . . . . . . . 4902 1 1036 . 1 1 90 90 LEU CD1 C 13 20.5 0.293 . 1 . . . . . . . . 4902 1 1037 . 1 1 90 90 LEU CD2 C 13 20.5 0.293 . 1 . . . . . . . . 4902 1 1038 . 1 1 90 90 LEU N N 15 124.29 0.313 . 1 . . . . . . . . 4902 1 1039 . 1 1 91 91 ARG H H 1 7.34 0.007 . 1 . . . . . . . . 4902 1 1040 . 1 1 91 91 ARG HA H 1 4.69 0.007 . 1 . . . . . . . . 4902 1 1041 . 1 1 91 91 ARG HB2 H 1 1.92 0.007 . 1 . . . . . . . . 4902 1 1042 . 1 1 91 91 ARG HB3 H 1 1.92 0.007 . 1 . . . . . . . . 4902 1 1043 . 1 1 91 91 ARG HG2 H 1 1.81 0.007 . 1 . . . . . . . . 4902 1 1044 . 1 1 91 91 ARG HG3 H 1 1.81 0.007 . 1 . . . . . . . . 4902 1 1045 . 1 1 91 91 ARG HD2 H 1 3.01 0.007 . 1 . . . . . . . . 4902 1 1046 . 1 1 91 91 ARG HD3 H 1 3.01 0.007 . 1 . . . . . . . . 4902 1 1047 . 1 1 91 91 ARG C C 13 176.3 0.293 . 1 . . . . . . . . 4902 1 1048 . 1 1 91 91 ARG CA C 13 50.52 0.293 . 1 . . . . . . . . 4902 1 1049 . 1 1 91 91 ARG CB C 13 29.05 0.293 . 1 . . . . . . . . 4902 1 1050 . 1 1 91 91 ARG CG C 13 22.26 0.293 . 1 . . . . . . . . 4902 1 1051 . 1 1 91 91 ARG CD C 13 40.43 0.293 . 1 . . . . . . . . 4902 1 1052 . 1 1 91 91 ARG N N 15 120.65 0.313 . 1 . . . . . . . . 4902 1 1053 . 1 1 92 92 LEU H H 1 8.26 0.007 . 1 . . . . . . . . 4902 1 1054 . 1 1 92 92 LEU HA H 1 4.31 0.007 . 1 . . . . . . . . 4902 1 1055 . 1 1 92 92 LEU HB2 H 1 1.64 0.007 . 1 . . . . . . . . 4902 1 1056 . 1 1 92 92 LEU HB3 H 1 1.64 0.007 . 1 . . . . . . . . 4902 1 1057 . 1 1 92 92 LEU HG H 1 1.53 0.007 . 1 . . . . . . . . 4902 1 1058 . 1 1 92 92 LEU HD11 H 1 0.72 0.007 . 1 . . . . . . . . 4902 1 1059 . 1 1 92 92 LEU HD12 H 1 0.72 0.007 . 1 . . . . . . . . 4902 1 1060 . 1 1 92 92 LEU HD13 H 1 0.72 0.007 . 1 . . . . . . . . 4902 1 1061 . 1 1 92 92 LEU HD21 H 1 0.72 0.007 . 1 . . . . . . . . 4902 1 1062 . 1 1 92 92 LEU HD22 H 1 0.72 0.007 . 1 . . . . . . . . 4902 1 1063 . 1 1 92 92 LEU HD23 H 1 0.72 0.007 . 1 . . . . . . . . 4902 1 1064 . 1 1 92 92 LEU C C 13 178.85 0.293 . 1 . . . . . . . . 4902 1 1065 . 1 1 92 92 LEU CA C 13 61.03 0.293 . 1 . . . . . . . . 4902 1 1066 . 1 1 92 92 LEU CB C 13 44.43 0.293 . 1 . . . . . . . . 4902 1 1067 . 1 1 92 92 LEU CG C 13 26.36 0.293 . 1 . . . . . . . . 4902 1 1068 . 1 1 92 92 LEU CD1 C 13 21.43 0.293 . 1 . . . . . . . . 4902 1 1069 . 1 1 92 92 LEU CD2 C 13 21.43 0.293 . 1 . . . . . . . . 4902 1 1070 . 1 1 92 92 LEU N N 15 119.33 0.313 . 1 . . . . . . . . 4902 1 1071 . 1 1 93 93 ALA H H 1 8.86 0.007 . 1 . . . . . . . . 4902 1 1072 . 1 1 93 93 ALA HA H 1 4.2 0.007 . 1 . . . . . . . . 4902 1 1073 . 1 1 93 93 ALA HB1 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 1074 . 1 1 93 93 ALA HB2 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 1075 . 1 1 93 93 ALA HB3 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 1076 . 1 1 93 93 ALA C C 13 177.02 0.293 . 1 . . . . . . . . 4902 1 1077 . 1 1 93 93 ALA CA C 13 53.27 0.293 . 1 . . . . . . . . 4902 1 1078 . 1 1 93 93 ALA CB C 13 18.57 0.293 . 1 . . . . . . . . 4902 1 1079 . 1 1 93 93 ALA N N 15 125.64 0.313 . 1 . . . . . . . . 4902 1 1080 . 1 1 94 94 ALA H H 1 8.79 0.007 . 1 . . . . . . . . 4902 1 1081 . 1 1 94 94 ALA HA H 1 4.53 0.007 . 1 . . . . . . . . 4902 1 1082 . 1 1 94 94 ALA HB1 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 1083 . 1 1 94 94 ALA HB2 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 1084 . 1 1 94 94 ALA HB3 H 1 1.36 0.007 . 1 . . . . . . . . 4902 1 1085 . 1 1 94 94 ALA C C 13 174.61 0.293 . 1 . . . . . . . . 4902 1 1086 . 1 1 94 94 ALA CA C 13 51.52 0.293 . 1 . . . . . . . . 4902 1 1087 . 1 1 94 94 ALA CB C 13 18.55 0.293 . 1 . . . . . . . . 4902 1 1088 . 1 1 94 94 ALA N N 15 125.93 0.313 . 1 . . . . . . . . 4902 1 1089 . 1 1 95 95 PRO HA H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 1090 . 1 1 95 95 PRO HB2 H 1 2.42 0.007 . 1 . . . . . . . . 4902 1 1091 . 1 1 95 95 PRO HB3 H 1 2.42 0.007 . 1 . . . . . . . . 4902 1 1092 . 1 1 95 95 PRO HG2 H 1 2.21 0.007 . 1 . . . . . . . . 4902 1 1093 . 1 1 95 95 PRO HG3 H 1 2.21 0.007 . 1 . . . . . . . . 4902 1 1094 . 1 1 95 95 PRO HD2 H 1 3.54 0.007 . 1 . . . . . . . . 4902 1 1095 . 1 1 95 95 PRO HD3 H 1 3.54 0.007 . 1 . . . . . . . . 4902 1 1096 . 1 1 95 95 PRO C C 13 174.32 0.293 . 1 . . . . . . . . 4902 1 1097 . 1 1 95 95 PRO CA C 13 57.49 0.293 . 1 . . . . . . . . 4902 1 1098 . 1 1 95 95 PRO CB C 13 33.98 0.293 . 1 . . . . . . . . 4902 1 1099 . 1 1 95 95 PRO CG C 13 27.54 0.293 . 1 . . . . . . . . 4902 1 1100 . 1 1 95 95 PRO CD C 13 49.98 0.293 . 1 . . . . . . . . 4902 1 1101 . 1 1 96 96 CYS H H 1 7.17 0.007 . 1 . . . . . . . . 4902 1 1102 . 1 1 96 96 CYS HA H 1 3.87 0.007 . 1 . . . . . . . . 4902 1 1103 . 1 1 96 96 CYS HB2 H 1 2.14 0.007 . 1 . . . . . . . . 4902 1 1104 . 1 1 96 96 CYS HB3 H 1 2.14 0.007 . 1 . . . . . . . . 4902 1 1105 . 1 1 96 96 CYS C C 13 178.48 0.293 . 1 . . . . . . . . 4902 1 1106 . 1 1 96 96 CYS CA C 13 58.78 0.293 . 1 . . . . . . . . 4902 1 1107 . 1 1 96 96 CYS CB C 13 29.01 0.293 . 1 . . . . . . . . 4902 1 1108 . 1 1 96 96 CYS N N 15 116.06 0.313 . 1 . . . . . . . . 4902 1 1109 . 1 1 97 97 ARG H H 1 8.69 0.007 . 1 . . . . . . . . 4902 1 1110 . 1 1 97 97 ARG HA H 1 4.31 0.007 . 1 . . . . . . . . 4902 1 1111 . 1 1 97 97 ARG HB2 H 1 2.12 0.007 . 1 . . . . . . . . 4902 1 1112 . 1 1 97 97 ARG HB3 H 1 2.12 0.007 . 1 . . . . . . . . 4902 1 1113 . 1 1 97 97 ARG HG2 H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 1114 . 1 1 97 97 ARG HG3 H 1 1.69 0.007 . 1 . . . . . . . . 4902 1 1115 . 1 1 97 97 ARG HD2 H 1 2.89 0.007 . 1 . . . . . . . . 4902 1 1116 . 1 1 97 97 ARG HD3 H 1 2.89 0.007 . 1 . . . . . . . . 4902 1 1117 . 1 1 97 97 ARG C C 13 175.46 0.293 . 1 . . . . . . . . 4902 1 1118 . 1 1 97 97 ARG CA C 13 56.53 0.293 . 1 . . . . . . . . 4902 1 1119 . 1 1 97 97 ARG CB C 13 32.98 0.293 . 1 . . . . . . . . 4902 1 1120 . 1 1 97 97 ARG CG C 13 24.61 0.293 . 1 . . . . . . . . 4902 1 1121 . 1 1 97 97 ARG CD C 13 41.01 0.293 . 1 . . . . . . . . 4902 1 1122 . 1 1 97 97 ARG N N 15 118.63 0.313 . 1 . . . . . . . . 4902 1 1123 . 1 1 98 98 LYS H H 1 8.82 0.007 . 1 . . . . . . . . 4902 1 1124 . 1 1 98 98 LYS HA H 1 4.25 0.007 . 1 . . . . . . . . 4902 1 1125 . 1 1 98 98 LYS HB2 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 1126 . 1 1 98 98 LYS HB3 H 1 1.58 0.007 . 1 . . . . . . . . 4902 1 1127 . 1 1 98 98 LYS HG2 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 1128 . 1 1 98 98 LYS HG3 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 1129 . 1 1 98 98 LYS HD2 H 1 1.53 0.007 . 1 . . . . . . . . 4902 1 1130 . 1 1 98 98 LYS HD3 H 1 1.53 0.007 . 1 . . . . . . . . 4902 1 1131 . 1 1 98 98 LYS HE2 H 1 3.33 0.007 . 1 . . . . . . . . 4902 1 1132 . 1 1 98 98 LYS HE3 H 1 3.33 0.007 . 1 . . . . . . . . 4902 1 1133 . 1 1 98 98 LYS C C 13 175.57 0.293 . 1 . . . . . . . . 4902 1 1134 . 1 1 98 98 LYS CA C 13 59.53 0.293 . 1 . . . . . . . . 4902 1 1135 . 1 1 98 98 LYS CB C 13 33.27 0.293 . 1 . . . . . . . . 4902 1 1136 . 1 1 98 98 LYS CG C 13 25.26 0.293 . 1 . . . . . . . . 4902 1 1137 . 1 1 98 98 LYS CD C 13 30.54 0.293 . 1 . . . . . . . . 4902 1 1138 . 1 1 98 98 LYS CE C 13 43.01 0.293 . 1 . . . . . . . . 4902 1 1139 . 1 1 98 98 LYS N N 15 121.42 0.313 . 1 . . . . . . . . 4902 1 1140 . 1 1 99 99 HIS H H 1 7.05 0.007 . 1 . . . . . . . . 4902 1 1141 . 1 1 99 99 HIS HA H 1 4.64 0.007 . 1 . . . . . . . . 4902 1 1142 . 1 1 99 99 HIS HB2 H 1 3.67 0.007 . 1 . . . . . . . . 4902 1 1143 . 1 1 99 99 HIS HB3 H 1 3.67 0.007 . 1 . . . . . . . . 4902 1 1144 . 1 1 99 99 HIS HD2 H 1 6.81 0.007 . 1 . . . . . . . . 4902 1 1145 . 1 1 99 99 HIS HE1 H 1 7.43 0.007 . 1 . . . . . . . . 4902 1 1146 . 1 1 99 99 HIS C C 13 177.03 0.293 . 1 . . . . . . . . 4902 1 1147 . 1 1 99 99 HIS CA C 13 61.03 0.293 . 1 . . . . . . . . 4902 1 1148 . 1 1 99 99 HIS CB C 13 31.54 0.293 . 1 . . . . . . . . 4902 1 1149 . 1 1 99 99 HIS N N 15 125.56 0.313 . 1 . . . . . . . . 4902 1 1150 . 1 1 100 100 GLU H H 1 6.92 0.007 . 1 . . . . . . . . 4902 1 1151 . 1 1 100 100 GLU HA H 1 4.36 0.007 . 1 . . . . . . . . 4902 1 1152 . 1 1 100 100 GLU HB2 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 1153 . 1 1 100 100 GLU HB3 H 1 1.25 0.007 . 1 . . . . . . . . 4902 1 1154 . 1 1 100 100 GLU HG2 H 1 1.75 0.007 . 1 . . . . . . . . 4902 1 1155 . 1 1 100 100 GLU HG3 H 1 1.75 0.007 . 1 . . . . . . . . 4902 1 1156 . 1 1 100 100 GLU C C 13 175.13 0.293 . 1 . . . . . . . . 4902 1 1157 . 1 1 100 100 GLU CA C 13 61.52 0.293 . 1 . . . . . . . . 4902 1 1158 . 1 1 100 100 GLU CB C 13 30.95 0.293 . 1 . . . . . . . . 4902 1 1159 . 1 1 100 100 GLU CG C 13 37.05 0.293 . 1 . . . . . . . . 4902 1 1160 . 1 1 100 100 GLU N N 15 119.2 0.313 . 1 . . . . . . . . 4902 1 stop_ save_