data_5388 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5388 _Entry.Title ; 1H,13C and 15N resonance assignments of gads c-terminal SH3 domain in complex with a peptide of SLP76 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-06-06 _Entry.Accession_date 2002-06-06 _Entry.Last_release_date 2002-11-05 _Entry.Original_release_date 2002-11-05 _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 Qin Liu . . . 5388 2 Shawn Li . Shun-cheng . 5388 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5388 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 578 5388 '13C chemical shifts' 355 5388 '15N chemical shifts' 87 5388 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 . . 2002-11-05 2002-06-06 original author . 5388 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5388 _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: 1H,13C and 15N resonance assignments of Gads C-terminal SH3 domain in complex with an RXXK motif-containing peptide derived from SLP-76 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 2 _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 161 _Citation.Page_last 162 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qin Liu . . . 5388 1 2 Shawn Li . Shun-cheng . 5388 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID protein 5388 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5388 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart DS, Bigam CG, Yao J, Abildgaard F, Dyson HJ, Oldfield E, Markley JL, SykesBD. 1H, 13C and 15N chemical shift referencing in biomolecular NMR. J. Biomol. NMR, 6 (1995) 135-140. ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 5388 2 2 'C G' Bigam C. G. . 5388 2 3 J Yao J. . . 5388 2 4 F Abildgaard F. . . 5388 2 5 'H J' Dyson H. J. . 5388 2 6 E Oldfield E. . . 5388 2 7 'J L' Markley J. L. . 5388 2 8 'B D' Sykes B. D. . 5388 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_C-Gads_SH3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_C-Gads_SH3 _Assembly.Entry_ID 5388 _Assembly.ID 1 _Assembly.Name 'Gads C-terminal SH3 domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5388 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 'c-Gads SH3' 1 $c-Gads_sh3 . . . native . . . . . 5388 1 2 'peptide of SLP76' 2 $SLP76 . . . native . . . . . 5388 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Gads C-terminal SH3 domain' system 5388 1 'C-Gads SH3' abbreviation 5388 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'adaptor protein' 5388 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_c-Gads_sh3 _Entity.Sf_category entity _Entity.Sf_framecode c-Gads_sh3 _Entity.Entry_ID 5388 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Gads C-terminal SH3' _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 ; GSRRASVGSVQLQAAGRVRW ARALYDFEALEEDELGFRSG EVVEVLDSSNPSWWTGRLHN KLGLFPANYVAPMMR ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . PDB 1UTI . 'MonaGADS SH3C IN COMPLEX WITH HPK DERIVED PEPTIDE' . . . . . 77.33 58 100.00 100.00 1.32e-26 . . . . 5388 1 . . PDB 2D0N . 'Crystal Structure Of The C-Terminal Sh3 Domain Of The Adaptor Protein Gads In Complex With Slp-76 Motif Peptide Reveals A Unique Sh3-Sh3 Interaction' . . . . . 74.67 59 100.00 100.00 1.84e-25 . . . . 5388 1 . . PDB 1H3H . 'Structural Basis For Specific Recognition Of An Rxxk- Containing Slp-76 Peptide By The Gads C-Terminal Sh3 Domain' . . . . . 78.67 60 100.00 100.00 3.38e-27 . . . . 5388 1 . . PDB 1OEB . 'MonaGADS SH3C DOMAIN' . . . . . 80.00 62 98.33 98.33 3.87e-27 . . . . 5388 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Gads C-terminal SH3' common 5388 1 'C-Gads SH3' abbreviation 5388 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5388 1 2 . SER . 5388 1 3 . ARG . 5388 1 4 . ARG . 5388 1 5 . ALA . 5388 1 6 . SER . 5388 1 7 . VAL . 5388 1 8 . GLY . 5388 1 9 . SER . 5388 1 10 . VAL . 5388 1 11 . GLN . 5388 1 12 . LEU . 5388 1 13 . GLN . 5388 1 14 . ALA . 5388 1 15 . ALA . 5388 1 16 . GLY . 5388 1 17 . ARG . 5388 1 18 . VAL . 5388 1 19 . ARG . 5388 1 20 . TRP . 5388 1 21 . ALA . 5388 1 22 . ARG . 5388 1 23 . ALA . 5388 1 24 . LEU . 5388 1 25 . TYR . 5388 1 26 . ASP . 5388 1 27 . PHE . 5388 1 28 . GLU . 5388 1 29 . ALA . 5388 1 30 . LEU . 5388 1 31 . GLU . 5388 1 32 . GLU . 5388 1 33 . ASP . 5388 1 34 . GLU . 5388 1 35 . LEU . 5388 1 36 . GLY . 5388 1 37 . PHE . 5388 1 38 . ARG . 5388 1 39 . SER . 5388 1 40 . GLY . 5388 1 41 . GLU . 5388 1 42 . VAL . 5388 1 43 . VAL . 5388 1 44 . GLU . 5388 1 45 . VAL . 5388 1 46 . LEU . 5388 1 47 . ASP . 5388 1 48 . SER . 5388 1 49 . SER . 5388 1 50 . ASN . 5388 1 51 . PRO . 5388 1 52 . SER . 5388 1 53 . TRP . 5388 1 54 . TRP . 5388 1 55 . THR . 5388 1 56 . GLY . 5388 1 57 . ARG . 5388 1 58 . LEU . 5388 1 59 . HIS . 5388 1 60 . ASN . 5388 1 61 . LYS . 5388 1 62 . LEU . 5388 1 63 . GLY . 5388 1 64 . LEU . 5388 1 65 . PHE . 5388 1 66 . PRO . 5388 1 67 . ALA . 5388 1 68 . ASN . 5388 1 69 . TYR . 5388 1 70 . VAL . 5388 1 71 . ALA . 5388 1 72 . PRO . 5388 1 73 . MET . 5388 1 74 . MET . 5388 1 75 . ARG . 5388 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5388 1 . SER 2 2 5388 1 . ARG 3 3 5388 1 . ARG 4 4 5388 1 . ALA 5 5 5388 1 . SER 6 6 5388 1 . VAL 7 7 5388 1 . GLY 8 8 5388 1 . SER 9 9 5388 1 . VAL 10 10 5388 1 . GLN 11 11 5388 1 . LEU 12 12 5388 1 . GLN 13 13 5388 1 . ALA 14 14 5388 1 . ALA 15 15 5388 1 . GLY 16 16 5388 1 . ARG 17 17 5388 1 . VAL 18 18 5388 1 . ARG 19 19 5388 1 . TRP 20 20 5388 1 . ALA 21 21 5388 1 . ARG 22 22 5388 1 . ALA 23 23 5388 1 . LEU 24 24 5388 1 . TYR 25 25 5388 1 . ASP 26 26 5388 1 . PHE 27 27 5388 1 . GLU 28 28 5388 1 . ALA 29 29 5388 1 . LEU 30 30 5388 1 . GLU 31 31 5388 1 . GLU 32 32 5388 1 . ASP 33 33 5388 1 . GLU 34 34 5388 1 . LEU 35 35 5388 1 . GLY 36 36 5388 1 . PHE 37 37 5388 1 . ARG 38 38 5388 1 . SER 39 39 5388 1 . GLY 40 40 5388 1 . GLU 41 41 5388 1 . VAL 42 42 5388 1 . VAL 43 43 5388 1 . GLU 44 44 5388 1 . VAL 45 45 5388 1 . LEU 46 46 5388 1 . ASP 47 47 5388 1 . SER 48 48 5388 1 . SER 49 49 5388 1 . ASN 50 50 5388 1 . PRO 51 51 5388 1 . SER 52 52 5388 1 . TRP 53 53 5388 1 . TRP 54 54 5388 1 . THR 55 55 5388 1 . GLY 56 56 5388 1 . ARG 57 57 5388 1 . LEU 58 58 5388 1 . HIS 59 59 5388 1 . ASN 60 60 5388 1 . LYS 61 61 5388 1 . LEU 62 62 5388 1 . GLY 63 63 5388 1 . LEU 64 64 5388 1 . PHE 65 65 5388 1 . PRO 66 66 5388 1 . ALA 67 67 5388 1 . ASN 68 68 5388 1 . TYR 69 69 5388 1 . VAL 70 70 5388 1 . ALA 71 71 5388 1 . PRO 72 72 5388 1 . MET 73 73 5388 1 . MET 74 74 5388 1 . ARG 75 75 5388 1 stop_ save_ save_SLP76 _Entity.Sf_category entity _Entity.Sf_framecode SLP76 _Entity.Entry_ID 5388 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'peptide of SLP76' _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 APSIDRSTKPA _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 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1142 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2002-11-10 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'peptide of SLP76' common 5388 2 SLP76 abbreviation 5388 2 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 . ALA . 5388 2 2 . PRO . 5388 2 3 . SER . 5388 2 4 . ILE . 5388 2 5 . ASP . 5388 2 6 . ARG . 5388 2 7 . SER . 5388 2 8 . THR . 5388 2 9 . LYS . 5388 2 10 . PRO . 5388 2 11 . ALA . 5388 2 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 . ALA 1 1 5388 2 . PRO 2 2 5388 2 . SER 3 3 5388 2 . ILE 4 4 5388 2 . ASP 5 5 5388 2 . ARG 6 6 5388 2 . SER 7 7 5388 2 . THR 8 8 5388 2 . LYS 9 9 5388 2 . PRO 10 10 5388 2 . ALA 11 11 5388 2 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 5388 _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 $c-Gads_sh3 . 10090 . . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus DE3 . . musculus . . . . . . . . . . . . . . . . . 5388 1 2 2 $SLP76 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens DE3 . . . . . . . . . . . . . . . . . . . . 5388 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 5388 _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 $c-Gads_sh3 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 1 2 2 $SLP76 . 'organic synthesis and recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5388 _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 'Gads C-terminal SH3' '[U-13C; U-15N]' . . 1 $c-Gads_sh3 . . 1.0 . . mM . . . . 5388 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5388 _Sample.ID 2 _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 'peptide of SLP76' '[U-13C; U-15N]' . . 2 $SLP76 . . 1.0 . . mM . . . . 5388 2 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 5388 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.05 n/a 5388 1 temperature 285 0.1 K 5388 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5388 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5388 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 5388 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 5388 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 1 3 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 1 5 '13C,15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 1 6 'half-filtered NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 1 7 HCC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 1 8 CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 1 9 (HB)CB(CGCD)HD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 1 10 (HB)CB(CGCDCE)HE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5388 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 5388 _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 5388 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5388 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5388 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5388 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '13C,15N NOESY-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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5388 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'half-filtered NOESY-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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5388 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCC(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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5388 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CC(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 5388 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name (HB)CB(CGCD)HD _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 5388 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name (HB)CB(CGCDCE)HE _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 5388 _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 0.00 internal direct 1.0 external cylindrical parallel 2 $ref_1 . . . . 5388 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 external cylindrical parallel 2 $ref_1 . . . . 5388 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 external cylindrical parallel 2 $ref_1 . . . . 5388 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 5388 _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 . 5388 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CA C 13 58.8 0.5 . 1 . . . . . . . . 5388 1 2 . 1 1 2 2 SER HA H 1 4.38 0.02 . 1 . . . . . . . . 5388 1 3 . 1 1 2 2 SER CB C 13 64.4 0.5 . 1 . . . . . . . . 5388 1 4 . 1 1 2 2 SER HB3 H 1 3.74 0.02 . 1 . . . . . . . . 5388 1 5 . 1 1 2 2 SER HB2 H 1 3.74 0.02 . 1 . . . . . . . . 5388 1 6 . 1 1 2 2 SER C C 13 174.4 0.5 . 1 . . . . . . . . 5388 1 7 . 1 1 3 3 ARG N N 15 123.5 0.4 . 1 . . . . . . . . 5388 1 8 . 1 1 3 3 ARG H H 1 8.51 0.02 . 1 . . . . . . . . 5388 1 9 . 1 1 3 3 ARG CA C 13 56.6 0.5 . 1 . . . . . . . . 5388 1 10 . 1 1 3 3 ARG HA H 1 4.22 0.02 . 1 . . . . . . . . 5388 1 11 . 1 1 3 3 ARG CB C 13 31.2 0.5 . 1 . . . . . . . . 5388 1 12 . 1 1 3 3 ARG HB3 H 1 1.72 0.02 . 2 . . . . . . . . 5388 1 13 . 1 1 3 3 ARG HB2 H 1 1.64 0.02 . 2 . . . . . . . . 5388 1 14 . 1 1 3 3 ARG CG C 13 27.7 0.5 . 1 . . . . . . . . 5388 1 15 . 1 1 3 3 ARG HG3 H 1 1.51 0.02 . 1 . . . . . . . . 5388 1 16 . 1 1 3 3 ARG HG2 H 1 1.51 0.02 . 1 . . . . . . . . 5388 1 17 . 1 1 3 3 ARG CD C 13 43.8 0.5 . 1 . . . . . . . . 5388 1 18 . 1 1 3 3 ARG HD3 H 1 3.07 0.02 . 1 . . . . . . . . 5388 1 19 . 1 1 3 3 ARG HD2 H 1 3.07 0.02 . 1 . . . . . . . . 5388 1 20 . 1 1 3 3 ARG C C 13 176.0 0.5 . 1 . . . . . . . . 5388 1 21 . 1 1 4 4 ARG N N 15 123.2 0.4 . 1 . . . . . . . . 5388 1 22 . 1 1 4 4 ARG H H 1 8.39 0.02 . 1 . . . . . . . . 5388 1 23 . 1 1 4 4 ARG CA C 13 56.6 0.5 . 1 . . . . . . . . 5388 1 24 . 1 1 4 4 ARG HA H 1 4.19 0.02 . 1 . . . . . . . . 5388 1 25 . 1 1 4 4 ARG CB C 13 31.3 0.5 . 1 . . . . . . . . 5388 1 26 . 1 1 4 4 ARG HB3 H 1 1.63 0.02 . 2 . . . . . . . . 5388 1 27 . 1 1 4 4 ARG HB2 H 1 1.72 0.02 . 2 . . . . . . . . 5388 1 28 . 1 1 4 4 ARG CG C 13 27.7 0.5 . 1 . . . . . . . . 5388 1 29 . 1 1 4 4 ARG HG3 H 1 1.51 0.02 . 1 . . . . . . . . 5388 1 30 . 1 1 4 4 ARG HG2 H 1 1.51 0.02 . 1 . . . . . . . . 5388 1 31 . 1 1 4 4 ARG CD C 13 43.9 0.5 . 1 . . . . . . . . 5388 1 32 . 1 1 4 4 ARG HD3 H 1 3.07 0.02 . 1 . . . . . . . . 5388 1 33 . 1 1 4 4 ARG HD2 H 1 3.07 0.02 . 1 . . . . . . . . 5388 1 34 . 1 1 4 4 ARG C C 13 175.7 0.5 . 1 . . . . . . . . 5388 1 35 . 1 1 5 5 ALA N N 15 125.9 0.4 . 1 . . . . . . . . 5388 1 36 . 1 1 5 5 ALA H H 1 8.35 0.02 . 1 . . . . . . . . 5388 1 37 . 1 1 5 5 ALA CA C 13 52.8 0.5 . 1 . . . . . . . . 5388 1 38 . 1 1 5 5 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 5388 1 39 . 1 1 5 5 ALA CB C 13 19.7 0.5 . 1 . . . . . . . . 5388 1 40 . 1 1 5 5 ALA HB1 H 1 1.26 0.02 . 1 . . . . . . . . 5388 1 41 . 1 1 5 5 ALA HB2 H 1 1.26 0.02 . 1 . . . . . . . . 5388 1 42 . 1 1 5 5 ALA HB3 H 1 1.26 0.02 . 1 . . . . . . . . 5388 1 43 . 1 1 5 5 ALA C C 13 177.5 0.5 . 1 . . . . . . . . 5388 1 44 . 1 1 6 6 SER N N 15 115.7 0.4 . 1 . . . . . . . . 5388 1 45 . 1 1 6 6 SER H H 1 8.29 0.02 . 1 . . . . . . . . 5388 1 46 . 1 1 6 6 SER CA C 13 58.6 0.5 . 1 . . . . . . . . 5388 1 47 . 1 1 6 6 SER HA H 1 4.34 0.02 . 1 . . . . . . . . 5388 1 48 . 1 1 6 6 SER CB C 13 64.3 0.5 . 1 . . . . . . . . 5388 1 49 . 1 1 6 6 SER HB3 H 1 3.74 0.02 . 1 . . . . . . . . 5388 1 50 . 1 1 6 6 SER HB2 H 1 3.74 0.02 . 1 . . . . . . . . 5388 1 51 . 1 1 6 6 SER C C 13 174.5 0.5 . 1 . . . . . . . . 5388 1 52 . 1 1 7 7 VAL N N 15 121.8 0.4 . 1 . . . . . . . . 5388 1 53 . 1 1 7 7 VAL H H 1 8.16 0.02 . 1 . . . . . . . . 5388 1 54 . 1 1 7 7 VAL CA C 13 62.8 0.5 . 1 . . . . . . . . 5388 1 55 . 1 1 7 7 VAL HA H 1 4.01 0.02 . 1 . . . . . . . . 5388 1 56 . 1 1 7 7 VAL CB C 13 33.1 0.5 . 1 . . . . . . . . 5388 1 57 . 1 1 7 7 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 5388 1 58 . 1 1 7 7 VAL CG2 C 13 21.3 0.5 . 1 . . . . . . . . 5388 1 59 . 1 1 7 7 VAL HG21 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 60 . 1 1 7 7 VAL HG22 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 61 . 1 1 7 7 VAL HG23 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 62 . 1 1 7 7 VAL CG1 C 13 21.3 0.5 . 1 . . . . . . . . 5388 1 63 . 1 1 7 7 VAL HG11 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 64 . 1 1 7 7 VAL HG12 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 65 . 1 1 7 7 VAL HG13 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 66 . 1 1 7 7 VAL C C 13 176.5 0.5 . 1 . . . . . . . . 5388 1 67 . 1 1 8 8 GLY N N 15 112.4 0.4 . 1 . . . . . . . . 5388 1 68 . 1 1 8 8 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 5388 1 69 . 1 1 8 8 GLY CA C 13 45.5 0.5 . 1 . . . . . . . . 5388 1 70 . 1 1 8 8 GLY HA3 H 1 3.86 0.02 . 1 . . . . . . . . 5388 1 71 . 1 1 8 8 GLY HA2 H 1 3.86 0.02 . 1 . . . . . . . . 5388 1 72 . 1 1 8 8 GLY C C 13 173.9 0.5 . 1 . . . . . . . . 5388 1 73 . 1 1 9 9 SER N N 15 115.9 0.4 . 1 . . . . . . . . 5388 1 74 . 1 1 9 9 SER H H 1 8.13 0.02 . 1 . . . . . . . . 5388 1 75 . 1 1 9 9 SER CA C 13 58.8 0.5 . 1 . . . . . . . . 5388 1 76 . 1 1 9 9 SER HA H 1 4.33 0.02 . 1 . . . . . . . . 5388 1 77 . 1 1 9 9 SER CB C 13 64.2 0.5 . 1 . . . . . . . . 5388 1 78 . 1 1 9 9 SER HB3 H 1 3.73 0.02 . 1 . . . . . . . . 5388 1 79 . 1 1 9 9 SER HB2 H 1 3.73 0.02 . 1 . . . . . . . . 5388 1 80 . 1 1 9 9 SER C C 13 174.7 0.5 . 1 . . . . . . . . 5388 1 81 . 1 1 10 10 VAL N N 15 122.1 0.4 . 1 . . . . . . . . 5388 1 82 . 1 1 10 10 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 5388 1 83 . 1 1 10 10 VAL CA C 13 62.9 0.5 . 1 . . . . . . . . 5388 1 84 . 1 1 10 10 VAL HA H 1 3.96 0.02 . 1 . . . . . . . . 5388 1 85 . 1 1 10 10 VAL CB C 13 33.1 0.5 . 1 . . . . . . . . 5388 1 86 . 1 1 10 10 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 5388 1 87 . 1 1 10 10 VAL CG2 C 13 21.5 0.5 . 1 . . . . . . . . 5388 1 88 . 1 1 10 10 VAL HG21 H 1 0.79 0.02 . 1 . . . . . . . . 5388 1 89 . 1 1 10 10 VAL HG22 H 1 0.79 0.02 . 1 . . . . . . . . 5388 1 90 . 1 1 10 10 VAL HG23 H 1 0.79 0.02 . 1 . . . . . . . . 5388 1 91 . 1 1 10 10 VAL CG1 C 13 21.5 0.5 . 1 . . . . . . . . 5388 1 92 . 1 1 10 10 VAL HG11 H 1 0.79 0.02 . 1 . . . . . . . . 5388 1 93 . 1 1 10 10 VAL HG12 H 1 0.79 0.02 . 1 . . . . . . . . 5388 1 94 . 1 1 10 10 VAL HG13 H 1 0.79 0.02 . 1 . . . . . . . . 5388 1 95 . 1 1 10 10 VAL C C 13 176.2 0.5 . 1 . . . . . . . . 5388 1 96 . 1 1 11 11 GLN N N 15 124.0 0.4 . 1 . . . . . . . . 5388 1 97 . 1 1 11 11 GLN H H 1 8.37 0.02 . 1 . . . . . . . . 5388 1 98 . 1 1 11 11 GLN CA C 13 56.3 0.5 . 1 . . . . . . . . 5388 1 99 . 1 1 11 11 GLN HA H 1 4.17 0.02 . 1 . . . . . . . . 5388 1 100 . 1 1 11 11 GLN CB C 13 29.9 0.5 . 1 . . . . . . . . 5388 1 101 . 1 1 11 11 GLN HB3 H 1 1.85 0.02 . 2 . . . . . . . . 5388 1 102 . 1 1 11 11 GLN HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5388 1 103 . 1 1 11 11 GLN CG C 13 34.3 0.5 . 1 . . . . . . . . 5388 1 104 . 1 1 11 11 GLN HG3 H 1 2.23 0.02 . 1 . . . . . . . . 5388 1 105 . 1 1 11 11 GLN HG2 H 1 2.23 0.02 . 1 . . . . . . . . 5388 1 106 . 1 1 11 11 GLN CD C 13 180.2 0.5 . 1 . . . . . . . . 5388 1 107 . 1 1 11 11 GLN NE2 N 15 112.1 0.4 . 1 . . . . . . . . 5388 1 108 . 1 1 11 11 GLN HE21 H 1 7.47 0.02 . 2 . . . . . . . . 5388 1 109 . 1 1 11 11 GLN HE22 H 1 6.78 0.02 . 2 . . . . . . . . 5388 1 110 . 1 1 11 11 GLN C C 13 175.9 0.5 . 1 . . . . . . . . 5388 1 111 . 1 1 12 12 LEU N N 15 123.9 0.4 . 1 . . . . . . . . 5388 1 112 . 1 1 12 12 LEU H H 1 8.23 0.02 . 1 . . . . . . . . 5388 1 113 . 1 1 12 12 LEU CA C 13 55.9 0.5 . 1 . . . . . . . . 5388 1 114 . 1 1 12 12 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 5388 1 115 . 1 1 12 12 LEU CB C 13 42.6 0.5 . 1 . . . . . . . . 5388 1 116 . 1 1 12 12 LEU HB3 H 1 1.51 0.02 . 2 . . . . . . . . 5388 1 117 . 1 1 12 12 LEU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 5388 1 118 . 1 1 12 12 LEU CG C 13 27.6 0.5 . 1 . . . . . . . . 5388 1 119 . 1 1 12 12 LEU HG H 1 1.49 0.02 . 1 . . . . . . . . 5388 1 120 . 1 1 12 12 LEU CD1 C 13 24.1 0.5 . 1 . . . . . . . . 5388 1 121 . 1 1 12 12 LEU HD11 H 1 0.73 0.02 . 1 . . . . . . . . 5388 1 122 . 1 1 12 12 LEU HD12 H 1 0.73 0.02 . 1 . . . . . . . . 5388 1 123 . 1 1 12 12 LEU HD13 H 1 0.73 0.02 . 1 . . . . . . . . 5388 1 124 . 1 1 12 12 LEU CD2 C 13 25.4 0.5 . 1 . . . . . . . . 5388 1 125 . 1 1 12 12 LEU HD21 H 1 0.79 0.02 . 1 . . . . . . . . 5388 1 126 . 1 1 12 12 LEU HD22 H 1 0.79 0.02 . 1 . . . . . . . . 5388 1 127 . 1 1 12 12 LEU HD23 H 1 0.79 0.02 . 1 . . . . . . . . 5388 1 128 . 1 1 12 12 LEU C C 13 177.4 0.5 . 1 . . . . . . . . 5388 1 129 . 1 1 13 13 GLN N N 15 121.0 0.4 . 1 . . . . . . . . 5388 1 130 . 1 1 13 13 GLN H H 1 8.28 0.02 . 1 . . . . . . . . 5388 1 131 . 1 1 13 13 GLN CA C 13 56.2 0.5 . 1 . . . . . . . . 5388 1 132 . 1 1 13 13 GLN HA H 1 4.17 0.02 . 1 . . . . . . . . 5388 1 133 . 1 1 13 13 GLN CB C 13 29.6 0.5 . 1 . . . . . . . . 5388 1 134 . 1 1 13 13 GLN HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5388 1 135 . 1 1 13 13 GLN HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5388 1 136 . 1 1 13 13 GLN CG C 13 34.4 0.5 . 1 . . . . . . . . 5388 1 137 . 1 1 13 13 GLN HG3 H 1 2.23 0.02 . 1 . . . . . . . . 5388 1 138 . 1 1 13 13 GLN HG2 H 1 2.23 0.02 . 1 . . . . . . . . 5388 1 139 . 1 1 13 13 GLN CD C 13 180.2 0.5 . 1 . . . . . . . . 5388 1 140 . 1 1 13 13 GLN NE2 N 15 112.8 0.4 . 1 . . . . . . . . 5388 1 141 . 1 1 13 13 GLN HE21 H 1 7.45 0.02 . 2 . . . . . . . . 5388 1 142 . 1 1 13 13 GLN HE22 H 1 6.82 0.02 . 2 . . . . . . . . 5388 1 143 . 1 1 13 13 GLN C C 13 175.6 0.5 . 1 . . . . . . . . 5388 1 144 . 1 1 14 14 ALA N N 15 125.2 0.4 . 1 . . . . . . . . 5388 1 145 . 1 1 14 14 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 5388 1 146 . 1 1 14 14 ALA CA C 13 53.1 0.5 . 1 . . . . . . . . 5388 1 147 . 1 1 14 14 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 5388 1 148 . 1 1 14 14 ALA CB C 13 19.3 0.5 . 1 . . . . . . . . 5388 1 149 . 1 1 14 14 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 5388 1 150 . 1 1 14 14 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 5388 1 151 . 1 1 14 14 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 5388 1 152 . 1 1 14 14 ALA C C 13 177.4 0.5 . 1 . . . . . . . . 5388 1 153 . 1 1 15 15 ALA N N 15 123.1 0.4 . 1 . . . . . . . . 5388 1 154 . 1 1 15 15 ALA H H 1 8.19 0.02 . 1 . . . . . . . . 5388 1 155 . 1 1 15 15 ALA CA C 13 53.2 0.5 . 1 . . . . . . . . 5388 1 156 . 1 1 15 15 ALA HA H 1 4.17 0.02 . 1 . . . . . . . . 5388 1 157 . 1 1 15 15 ALA CB C 13 19.7 0.5 . 1 . . . . . . . . 5388 1 158 . 1 1 15 15 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 5388 1 159 . 1 1 15 15 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 5388 1 160 . 1 1 15 15 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 5388 1 161 . 1 1 15 15 ALA C C 13 178.2 0.5 . 1 . . . . . . . . 5388 1 162 . 1 1 16 16 GLY N N 15 107.9 0.4 . 1 . . . . . . . . 5388 1 163 . 1 1 16 16 GLY H H 1 8.21 0.02 . 1 . . . . . . . . 5388 1 164 . 1 1 16 16 GLY CA C 13 45.4 0.5 . 1 . . . . . . . . 5388 1 165 . 1 1 16 16 GLY HA3 H 1 3.76 0.02 . 1 . . . . . . . . 5388 1 166 . 1 1 16 16 GLY HA2 H 1 3.76 0.02 . 1 . . . . . . . . 5388 1 167 . 1 1 16 16 GLY C C 13 173.8 0.5 . 1 . . . . . . . . 5388 1 168 . 1 1 17 17 ARG N N 15 120.1 0.4 . 1 . . . . . . . . 5388 1 169 . 1 1 17 17 ARG H H 1 7.95 0.02 . 1 . . . . . . . . 5388 1 170 . 1 1 17 17 ARG CA C 13 56.3 0.5 . 1 . . . . . . . . 5388 1 171 . 1 1 17 17 ARG HA H 1 4.09 0.02 . 1 . . . . . . . . 5388 1 172 . 1 1 17 17 ARG CB C 13 31.3 0.5 . 1 . . . . . . . . 5388 1 173 . 1 1 17 17 ARG HB3 H 1 1.61 0.02 . 2 . . . . . . . . 5388 1 174 . 1 1 17 17 ARG HB2 H 1 1.55 0.02 . 2 . . . . . . . . 5388 1 175 . 1 1 17 17 ARG CG C 13 27.6 0.5 . 1 . . . . . . . . 5388 1 176 . 1 1 17 17 ARG HG3 H 1 1.36 0.02 . 1 . . . . . . . . 5388 1 177 . 1 1 17 17 ARG HG2 H 1 1.36 0.02 . 1 . . . . . . . . 5388 1 178 . 1 1 17 17 ARG CD C 13 43.7 0.5 . 1 . . . . . . . . 5388 1 179 . 1 1 17 17 ARG HD3 H 1 2.97 0.02 . 1 . . . . . . . . 5388 1 180 . 1 1 17 17 ARG HD2 H 1 2.97 0.02 . 1 . . . . . . . . 5388 1 181 . 1 1 17 17 ARG C C 13 175.7 0.5 . 1 . . . . . . . . 5388 1 182 . 1 1 18 18 VAL N N 15 123.6 0.4 . 1 . . . . . . . . 5388 1 183 . 1 1 18 18 VAL H H 1 7.82 0.02 . 1 . . . . . . . . 5388 1 184 . 1 1 18 18 VAL CA C 13 63.2 0.5 . 1 . . . . . . . . 5388 1 185 . 1 1 18 18 VAL HA H 1 3.76 0.02 . 1 . . . . . . . . 5388 1 186 . 1 1 18 18 VAL CB C 13 33.1 0.5 . 1 . . . . . . . . 5388 1 187 . 1 1 18 18 VAL HB H 1 1.45 0.02 . 1 . . . . . . . . 5388 1 188 . 1 1 18 18 VAL CG2 C 13 22.1 0.5 . 1 . . . . . . . . 5388 1 189 . 1 1 18 18 VAL HG21 H 1 0.65 0.02 . 1 . . . . . . . . 5388 1 190 . 1 1 18 18 VAL HG22 H 1 0.65 0.02 . 1 . . . . . . . . 5388 1 191 . 1 1 18 18 VAL HG23 H 1 0.65 0.02 . 1 . . . . . . . . 5388 1 192 . 1 1 18 18 VAL CG1 C 13 22.1 0.5 . 1 . . . . . . . . 5388 1 193 . 1 1 18 18 VAL HG11 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 194 . 1 1 18 18 VAL HG12 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 195 . 1 1 18 18 VAL HG13 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 196 . 1 1 18 18 VAL C C 13 174.5 0.5 . 1 . . . . . . . . 5388 1 197 . 1 1 19 19 ARG N N 15 125.9 0.4 . 1 . . . . . . . . 5388 1 198 . 1 1 19 19 ARG H H 1 8.51 0.02 . 1 . . . . . . . . 5388 1 199 . 1 1 19 19 ARG CA C 13 56.1 0.5 . 1 . . . . . . . . 5388 1 200 . 1 1 19 19 ARG HA H 1 4.41 0.02 . 1 . . . . . . . . 5388 1 201 . 1 1 19 19 ARG CB C 13 33.1 0.5 . 1 . . . . . . . . 5388 1 202 . 1 1 19 19 ARG HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5388 1 203 . 1 1 19 19 ARG HB2 H 1 1.51 0.02 . 2 . . . . . . . . 5388 1 204 . 1 1 19 19 ARG CG C 13 27.8 0.5 . 1 . . . . . . . . 5388 1 205 . 1 1 19 19 ARG HG3 H 1 1.12 0.02 . 2 . . . . . . . . 5388 1 206 . 1 1 19 19 ARG HG2 H 1 1.30 0.02 . 2 . . . . . . . . 5388 1 207 . 1 1 19 19 ARG CD C 13 43.5 0.5 . 1 . . . . . . . . 5388 1 208 . 1 1 19 19 ARG HD3 H 1 2.95 0.02 . 1 . . . . . . . . 5388 1 209 . 1 1 19 19 ARG HD2 H 1 2.95 0.02 . 1 . . . . . . . . 5388 1 210 . 1 1 19 19 ARG C C 13 174.8 0.5 . 1 . . . . . . . . 5388 1 211 . 1 1 20 20 TRP N N 15 119.4 0.4 . 1 . . . . . . . . 5388 1 212 . 1 1 20 20 TRP H H 1 8.01 0.02 . 1 . . . . . . . . 5388 1 213 . 1 1 20 20 TRP CA C 13 55.9 0.5 . 1 . . . . . . . . 5388 1 214 . 1 1 20 20 TRP HA H 1 5.36 0.02 . 1 . . . . . . . . 5388 1 215 . 1 1 20 20 TRP CB C 13 34.2 0.5 . 1 . . . . . . . . 5388 1 216 . 1 1 20 20 TRP HB3 H 1 3.02 0.02 . 2 . . . . . . . . 5388 1 217 . 1 1 20 20 TRP HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5388 1 218 . 1 1 20 20 TRP CD1 C 13 127.3 0.5 . 1 . . . . . . . . 5388 1 219 . 1 1 20 20 TRP HD1 H 1 7.04 0.02 . 1 . . . . . . . . 5388 1 220 . 1 1 20 20 TRP NE1 N 15 128.6 0.4 . 1 . . . . . . . . 5388 1 221 . 1 1 20 20 TRP HE1 H 1 9.99 0.02 . 1 . . . . . . . . 5388 1 222 . 1 1 20 20 TRP HZ2 H 1 7.28 0.02 . 1 . . . . . . . . 5388 1 223 . 1 1 20 20 TRP C C 13 174.6 0.5 . 1 . . . . . . . . 5388 1 224 . 1 1 21 21 ALA N N 15 122.8 0.4 . 1 . . . . . . . . 5388 1 225 . 1 1 21 21 ALA H H 1 9.11 0.02 . 1 . . . . . . . . 5388 1 226 . 1 1 21 21 ALA CA C 13 51.6 0.5 . 1 . . . . . . . . 5388 1 227 . 1 1 21 21 ALA HA H 1 4.81 0.02 . 1 . . . . . . . . 5388 1 228 . 1 1 21 21 ALA CB C 13 23.5 0.5 . 1 . . . . . . . . 5388 1 229 . 1 1 21 21 ALA HB1 H 1 0.99 0.02 . 1 . . . . . . . . 5388 1 230 . 1 1 21 21 ALA HB2 H 1 0.99 0.02 . 1 . . . . . . . . 5388 1 231 . 1 1 21 21 ALA HB3 H 1 0.99 0.02 . 1 . . . . . . . . 5388 1 232 . 1 1 21 21 ALA C C 13 173.0 0.5 . 1 . . . . . . . . 5388 1 233 . 1 1 22 22 ARG N N 15 121.8 0.4 . 1 . . . . . . . . 5388 1 234 . 1 1 22 22 ARG H H 1 8.60 0.02 . 1 . . . . . . . . 5388 1 235 . 1 1 22 22 ARG CA C 13 54.4 0.5 . 1 . . . . . . . . 5388 1 236 . 1 1 22 22 ARG HA H 1 4.71 0.02 . 1 . . . . . . . . 5388 1 237 . 1 1 22 22 ARG CB C 13 32.9 0.5 . 1 . . . . . . . . 5388 1 238 . 1 1 22 22 ARG HB3 H 1 1.65 0.02 . 2 . . . . . . . . 5388 1 239 . 1 1 22 22 ARG HB2 H 1 1.58 0.02 . 2 . . . . . . . . 5388 1 240 . 1 1 22 22 ARG CG C 13 28.1 0.5 . 1 . . . . . . . . 5388 1 241 . 1 1 22 22 ARG HG3 H 1 1.24 0.02 . 2 . . . . . . . . 5388 1 242 . 1 1 22 22 ARG HG2 H 1 1.17 0.02 . 2 . . . . . . . . 5388 1 243 . 1 1 22 22 ARG CD C 13 43.4 0.5 . 1 . . . . . . . . 5388 1 244 . 1 1 22 22 ARG HD3 H 1 3.03 0.02 . 2 . . . . . . . . 5388 1 245 . 1 1 22 22 ARG HD2 H 1 2.96 0.02 . 2 . . . . . . . . 5388 1 246 . 1 1 22 22 ARG C C 13 175.8 0.5 . 1 . . . . . . . . 5388 1 247 . 1 1 23 23 ALA N N 15 128.6 0.4 . 1 . . . . . . . . 5388 1 248 . 1 1 23 23 ALA H H 1 8.97 0.02 . 1 . . . . . . . . 5388 1 249 . 1 1 23 23 ALA CA C 13 53.5 0.5 . 1 . . . . . . . . 5388 1 250 . 1 1 23 23 ALA HA H 1 4.02 0.02 . 1 . . . . . . . . 5388 1 251 . 1 1 23 23 ALA CB C 13 21.1 0.5 . 1 . . . . . . . . 5388 1 252 . 1 1 23 23 ALA HB1 H 1 1.05 0.02 . 1 . . . . . . . . 5388 1 253 . 1 1 23 23 ALA HB2 H 1 1.05 0.02 . 1 . . . . . . . . 5388 1 254 . 1 1 23 23 ALA HB3 H 1 1.05 0.02 . 1 . . . . . . . . 5388 1 255 . 1 1 23 23 ALA C C 13 178.9 0.5 . 1 . . . . . . . . 5388 1 256 . 1 1 24 24 LEU N N 15 126.7 0.4 . 1 . . . . . . . . 5388 1 257 . 1 1 24 24 LEU H H 1 9.32 0.02 . 1 . . . . . . . . 5388 1 258 . 1 1 24 24 LEU CA C 13 55.7 0.5 . 1 . . . . . . . . 5388 1 259 . 1 1 24 24 LEU HA H 1 3.81 0.02 . 1 . . . . . . . . 5388 1 260 . 1 1 24 24 LEU CB C 13 44.4 0.5 . 1 . . . . . . . . 5388 1 261 . 1 1 24 24 LEU HB3 H 1 0.86 0.02 . 2 . . . . . . . . 5388 1 262 . 1 1 24 24 LEU HB2 H 1 0.31 0.02 . 2 . . . . . . . . 5388 1 263 . 1 1 24 24 LEU CG C 13 27.2 0.5 . 1 . . . . . . . . 5388 1 264 . 1 1 24 24 LEU HG H 1 1.19 0.02 . 1 . . . . . . . . 5388 1 265 . 1 1 24 24 LEU CD1 C 13 22.5 0.5 . 1 . . . . . . . . 5388 1 266 . 1 1 24 24 LEU HD11 H 1 0.51 0.02 . 1 . . . . . . . . 5388 1 267 . 1 1 24 24 LEU HD12 H 1 0.51 0.02 . 1 . . . . . . . . 5388 1 268 . 1 1 24 24 LEU HD13 H 1 0.51 0.02 . 1 . . . . . . . . 5388 1 269 . 1 1 24 24 LEU CD2 C 13 26.1 0.5 . 1 . . . . . . . . 5388 1 270 . 1 1 24 24 LEU HD21 H 1 0.48 0.02 . 1 . . . . . . . . 5388 1 271 . 1 1 24 24 LEU HD22 H 1 0.48 0.02 . 1 . . . . . . . . 5388 1 272 . 1 1 24 24 LEU HD23 H 1 0.48 0.02 . 1 . . . . . . . . 5388 1 273 . 1 1 24 24 LEU C C 13 175.5 0.5 . 1 . . . . . . . . 5388 1 274 . 1 1 25 25 TYR N N 15 113.7 0.4 . 1 . . . . . . . . 5388 1 275 . 1 1 25 25 TYR H H 1 7.16 0.02 . 1 . . . . . . . . 5388 1 276 . 1 1 25 25 TYR CA C 13 54.4 0.5 . 1 . . . . . . . . 5388 1 277 . 1 1 25 25 TYR HA H 1 4.68 0.02 . 1 . . . . . . . . 5388 1 278 . 1 1 25 25 TYR CB C 13 43.1 0.5 . 1 . . . . . . . . 5388 1 279 . 1 1 25 25 TYR HB3 H 1 3.14 0.02 . 2 . . . . . . . . 5388 1 280 . 1 1 25 25 TYR HB2 H 1 2.37 0.02 . 2 . . . . . . . . 5388 1 281 . 1 1 25 25 TYR CD1 C 13 134.2 0.5 . 1 . . . . . . . . 5388 1 282 . 1 1 25 25 TYR HD1 H 1 6.56 0.02 . 1 . . . . . . . . 5388 1 283 . 1 1 25 25 TYR CE1 C 13 117.4 0.5 . 1 . . . . . . . . 5388 1 284 . 1 1 25 25 TYR HE1 H 1 6.68 0.02 . 1 . . . . . . . . 5388 1 285 . 1 1 25 25 TYR CE2 C 13 117.4 0.5 . 1 . . . . . . . . 5388 1 286 . 1 1 25 25 TYR HE2 H 1 6.68 0.02 . 1 . . . . . . . . 5388 1 287 . 1 1 25 25 TYR CD2 C 13 134.2 0.5 . 1 . . . . . . . . 5388 1 288 . 1 1 25 25 TYR HD2 H 1 6.56 0.02 . 1 . . . . . . . . 5388 1 289 . 1 1 25 25 TYR C C 13 173.5 0.5 . 1 . . . . . . . . 5388 1 290 . 1 1 26 26 ASP N N 15 118.6 0.4 . 1 . . . . . . . . 5388 1 291 . 1 1 26 26 ASP H H 1 8.44 0.02 . 1 . . . . . . . . 5388 1 292 . 1 1 26 26 ASP CA C 13 55.4 0.5 . 1 . . . . . . . . 5388 1 293 . 1 1 26 26 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . 5388 1 294 . 1 1 26 26 ASP CB C 13 41.4 0.5 . 1 . . . . . . . . 5388 1 295 . 1 1 26 26 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 5388 1 296 . 1 1 26 26 ASP HB2 H 1 2.58 0.02 . 2 . . . . . . . . 5388 1 297 . 1 1 26 26 ASP C C 13 175.6 0.5 . 1 . . . . . . . . 5388 1 298 . 1 1 27 27 PHE N N 15 122.5 0.4 . 1 . . . . . . . . 5388 1 299 . 1 1 27 27 PHE H H 1 8.75 0.02 . 1 . . . . . . . . 5388 1 300 . 1 1 27 27 PHE CA C 13 56.3 0.5 . 1 . . . . . . . . 5388 1 301 . 1 1 27 27 PHE HA H 1 4.83 0.02 . 1 . . . . . . . . 5388 1 302 . 1 1 27 27 PHE CB C 13 42.4 0.5 . 1 . . . . . . . . 5388 1 303 . 1 1 27 27 PHE HB3 H 1 2.52 0.02 . 2 . . . . . . . . 5388 1 304 . 1 1 27 27 PHE HB2 H 1 1.32 0.02 . 2 . . . . . . . . 5388 1 305 . 1 1 27 27 PHE HD1 H 1 7.09 0.02 . 1 . . . . . . . . 5388 1 306 . 1 1 27 27 PHE HE1 H 1 6.83 0.02 . 1 . . . . . . . . 5388 1 307 . 1 1 27 27 PHE HZ H 1 6.64 0.02 . 1 . . . . . . . . 5388 1 308 . 1 1 27 27 PHE HE2 H 1 6.83 0.02 . 1 . . . . . . . . 5388 1 309 . 1 1 27 27 PHE HD2 H 1 7.09 0.02 . 1 . . . . . . . . 5388 1 310 . 1 1 27 27 PHE C C 13 172.9 0.5 . 1 . . . . . . . . 5388 1 311 . 1 1 28 28 GLU N N 15 128.3 0.4 . 1 . . . . . . . . 5388 1 312 . 1 1 28 28 GLU H H 1 7.84 0.02 . 1 . . . . . . . . 5388 1 313 . 1 1 28 28 GLU CA C 13 54.2 0.5 . 1 . . . . . . . . 5388 1 314 . 1 1 28 28 GLU HA H 1 3.89 0.02 . 1 . . . . . . . . 5388 1 315 . 1 1 28 28 GLU CB C 13 30.5 0.5 . 1 . . . . . . . . 5388 1 316 . 1 1 28 28 GLU HB3 H 1 1.53 0.02 . 1 . . . . . . . . 5388 1 317 . 1 1 28 28 GLU HB2 H 1 1.53 0.02 . 1 . . . . . . . . 5388 1 318 . 1 1 28 28 GLU CG C 13 36.4 0.5 . 1 . . . . . . . . 5388 1 319 . 1 1 28 28 GLU HG3 H 1 1.76 0.02 . 2 . . . . . . . . 5388 1 320 . 1 1 28 28 GLU HG2 H 1 1.88 0.02 . 2 . . . . . . . . 5388 1 321 . 1 1 28 28 GLU C C 13 173.4 0.5 . 1 . . . . . . . . 5388 1 322 . 1 1 29 29 ALA N N 15 127.8 0.4 . 1 . . . . . . . . 5388 1 323 . 1 1 29 29 ALA H H 1 7.64 0.02 . 1 . . . . . . . . 5388 1 324 . 1 1 29 29 ALA CA C 13 52.3 0.5 . 1 . . . . . . . . 5388 1 325 . 1 1 29 29 ALA HA H 1 3.75 0.02 . 1 . . . . . . . . 5388 1 326 . 1 1 29 29 ALA CB C 13 19.7 0.5 . 1 . . . . . . . . 5388 1 327 . 1 1 29 29 ALA HB1 H 1 0.98 0.02 . 1 . . . . . . . . 5388 1 328 . 1 1 29 29 ALA HB2 H 1 0.98 0.02 . 1 . . . . . . . . 5388 1 329 . 1 1 29 29 ALA HB3 H 1 0.98 0.02 . 1 . . . . . . . . 5388 1 330 . 1 1 29 29 ALA C C 13 177.3 0.5 . 1 . . . . . . . . 5388 1 331 . 1 1 30 30 LEU N N 15 124.2 0.4 . 1 . . . . . . . . 5388 1 332 . 1 1 30 30 LEU H H 1 8.29 0.02 . 1 . . . . . . . . 5388 1 333 . 1 1 30 30 LEU CA C 13 55.4 0.5 . 1 . . . . . . . . 5388 1 334 . 1 1 30 30 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 5388 1 335 . 1 1 30 30 LEU CB C 13 44.8 0.5 . 1 . . . . . . . . 5388 1 336 . 1 1 30 30 LEU HB3 H 1 1.36 0.02 . 2 . . . . . . . . 5388 1 337 . 1 1 30 30 LEU HB2 H 1 1.49 0.02 . 2 . . . . . . . . 5388 1 338 . 1 1 30 30 LEU CG C 13 27.4 0.5 . 1 . . . . . . . . 5388 1 339 . 1 1 30 30 LEU HG H 1 1.39 0.02 . 1 . . . . . . . . 5388 1 340 . 1 1 30 30 LEU CD1 C 13 23.7 0.5 . 1 . . . . . . . . 5388 1 341 . 1 1 30 30 LEU HD11 H 1 0.61 0.02 . 1 . . . . . . . . 5388 1 342 . 1 1 30 30 LEU HD12 H 1 0.61 0.02 . 1 . . . . . . . . 5388 1 343 . 1 1 30 30 LEU HD13 H 1 0.61 0.02 . 1 . . . . . . . . 5388 1 344 . 1 1 30 30 LEU CD2 C 13 25.4 0.5 . 1 . . . . . . . . 5388 1 345 . 1 1 30 30 LEU HD21 H 1 0.75 0.02 . 1 . . . . . . . . 5388 1 346 . 1 1 30 30 LEU HD22 H 1 0.75 0.02 . 1 . . . . . . . . 5388 1 347 . 1 1 30 30 LEU HD23 H 1 0.75 0.02 . 1 . . . . . . . . 5388 1 348 . 1 1 30 30 LEU C C 13 176.6 0.5 . 1 . . . . . . . . 5388 1 349 . 1 1 31 31 GLU N N 15 116.0 0.4 . 1 . . . . . . . . 5388 1 350 . 1 1 31 31 GLU H H 1 6.86 0.02 . 1 . . . . . . . . 5388 1 351 . 1 1 31 31 GLU CA C 13 54.2 0.5 . 1 . . . . . . . . 5388 1 352 . 1 1 31 31 GLU HA H 1 4.54 0.02 . 1 . . . . . . . . 5388 1 353 . 1 1 31 31 GLU CB C 13 33.1 0.5 . 1 . . . . . . . . 5388 1 354 . 1 1 31 31 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 5388 1 355 . 1 1 31 31 GLU HB2 H 1 1.34 0.02 . 2 . . . . . . . . 5388 1 356 . 1 1 31 31 GLU CG C 13 36.3 0.5 . 1 . . . . . . . . 5388 1 357 . 1 1 31 31 GLU HG3 H 1 1.99 0.02 . 1 . . . . . . . . 5388 1 358 . 1 1 31 31 GLU HG2 H 1 1.99 0.02 . 1 . . . . . . . . 5388 1 359 . 1 1 31 31 GLU C C 13 177.7 0.5 . 1 . . . . . . . . 5388 1 360 . 1 1 32 32 GLU N N 15 120.5 0.4 . 1 . . . . . . . . 5388 1 361 . 1 1 32 32 GLU H H 1 8.93 0.02 . 1 . . . . . . . . 5388 1 362 . 1 1 32 32 GLU CA C 13 59.1 0.5 . 1 . . . . . . . . 5388 1 363 . 1 1 32 32 GLU HA H 1 3.94 0.02 . 1 . . . . . . . . 5388 1 364 . 1 1 32 32 GLU CB C 13 30.5 0.5 . 1 . . . . . . . . 5388 1 365 . 1 1 32 32 GLU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5388 1 366 . 1 1 32 32 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5388 1 367 . 1 1 32 32 GLU CG C 13 36.8 0.5 . 1 . . . . . . . . 5388 1 368 . 1 1 32 32 GLU HG3 H 1 2.22 0.02 . 1 . . . . . . . . 5388 1 369 . 1 1 32 32 GLU HG2 H 1 2.22 0.02 . 1 . . . . . . . . 5388 1 370 . 1 1 32 32 GLU C C 13 175.7 0.5 . 1 . . . . . . . . 5388 1 371 . 1 1 33 33 ASP N N 15 115.3 0.4 . 1 . . . . . . . . 5388 1 372 . 1 1 33 33 ASP H H 1 7.92 0.02 . 1 . . . . . . . . 5388 1 373 . 1 1 33 33 ASP CA C 13 53.3 0.5 . 1 . . . . . . . . 5388 1 374 . 1 1 33 33 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 5388 1 375 . 1 1 33 33 ASP CB C 13 40.2 0.5 . 1 . . . . . . . . 5388 1 376 . 1 1 33 33 ASP HB3 H 1 2.44 0.02 . 2 . . . . . . . . 5388 1 377 . 1 1 33 33 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 5388 1 378 . 1 1 33 33 ASP C C 13 176.4 0.5 . 1 . . . . . . . . 5388 1 379 . 1 1 34 34 GLU N N 15 120.1 0.4 . 1 . . . . . . . . 5388 1 380 . 1 1 34 34 GLU H H 1 7.49 0.02 . 1 . . . . . . . . 5388 1 381 . 1 1 34 34 GLU CA C 13 55.9 0.5 . 1 . . . . . . . . 5388 1 382 . 1 1 34 34 GLU HA H 1 5.09 0.02 . 1 . . . . . . . . 5388 1 383 . 1 1 34 34 GLU CB C 13 32.8 0.5 . 1 . . . . . . . . 5388 1 384 . 1 1 34 34 GLU HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5388 1 385 . 1 1 34 34 GLU HB2 H 1 2.11 0.02 . 2 . . . . . . . . 5388 1 386 . 1 1 34 34 GLU CG C 13 37.0 0.5 . 1 . . . . . . . . 5388 1 387 . 1 1 34 34 GLU HG3 H 1 2.43 0.02 . 2 . . . . . . . . 5388 1 388 . 1 1 34 34 GLU HG2 H 1 2.15 0.02 . 2 . . . . . . . . 5388 1 389 . 1 1 34 34 GLU C C 13 174.8 0.5 . 1 . . . . . . . . 5388 1 390 . 1 1 35 35 LEU N N 15 126.7 0.4 . 1 . . . . . . . . 5388 1 391 . 1 1 35 35 LEU H H 1 9.01 0.02 . 1 . . . . . . . . 5388 1 392 . 1 1 35 35 LEU CA C 13 53.6 0.5 . 1 . . . . . . . . 5388 1 393 . 1 1 35 35 LEU HA H 1 4.39 0.02 . 1 . . . . . . . . 5388 1 394 . 1 1 35 35 LEU CB C 13 45.5 0.5 . 1 . . . . . . . . 5388 1 395 . 1 1 35 35 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5388 1 396 . 1 1 35 35 LEU HB2 H 1 0.74 0.02 . 2 . . . . . . . . 5388 1 397 . 1 1 35 35 LEU CG C 13 27.4 0.5 . 1 . . . . . . . . 5388 1 398 . 1 1 35 35 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 5388 1 399 . 1 1 35 35 LEU CD1 C 13 26.5 0.5 . 1 . . . . . . . . 5388 1 400 . 1 1 35 35 LEU HD11 H 1 0.74 0.02 . 1 . . . . . . . . 5388 1 401 . 1 1 35 35 LEU HD12 H 1 0.74 0.02 . 1 . . . . . . . . 5388 1 402 . 1 1 35 35 LEU HD13 H 1 0.74 0.02 . 1 . . . . . . . . 5388 1 403 . 1 1 35 35 LEU CD2 C 13 24.9 0.5 . 1 . . . . . . . . 5388 1 404 . 1 1 35 35 LEU HD21 H 1 0.85 0.02 . 1 . . . . . . . . 5388 1 405 . 1 1 35 35 LEU HD22 H 1 0.85 0.02 . 1 . . . . . . . . 5388 1 406 . 1 1 35 35 LEU HD23 H 1 0.85 0.02 . 1 . . . . . . . . 5388 1 407 . 1 1 35 35 LEU C C 13 172.6 0.5 . 1 . . . . . . . . 5388 1 408 . 1 1 36 36 GLY N N 15 108.7 0.4 . 1 . . . . . . . . 5388 1 409 . 1 1 36 36 GLY H H 1 7.79 0.02 . 1 . . . . . . . . 5388 1 410 . 1 1 36 36 GLY CA C 13 44.6 0.5 . 1 . . . . . . . . 5388 1 411 . 1 1 36 36 GLY HA3 H 1 3.95 0.02 . 2 . . . . . . . . 5388 1 412 . 1 1 36 36 GLY HA2 H 1 3.33 0.02 . 2 . . . . . . . . 5388 1 413 . 1 1 36 36 GLY C C 13 173.4 0.5 . 1 . . . . . . . . 5388 1 414 . 1 1 37 37 PHE N N 15 112.1 0.4 . 1 . . . . . . . . 5388 1 415 . 1 1 37 37 PHE H H 1 8.19 0.02 . 1 . . . . . . . . 5388 1 416 . 1 1 37 37 PHE CA C 13 56.2 0.5 . 1 . . . . . . . . 5388 1 417 . 1 1 37 37 PHE HA H 1 4.71 0.02 . 1 . . . . . . . . 5388 1 418 . 1 1 37 37 PHE CB C 13 41.0 0.5 . 1 . . . . . . . . 5388 1 419 . 1 1 37 37 PHE HB3 H 1 3.23 0.02 . 2 . . . . . . . . 5388 1 420 . 1 1 37 37 PHE HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5388 1 421 . 1 1 37 37 PHE CD1 C 13 132.9 0.5 . 1 . . . . . . . . 5388 1 422 . 1 1 37 37 PHE HD1 H 1 6.64 0.02 . 1 . . . . . . . . 5388 1 423 . 1 1 37 37 PHE CE1 C 13 127.4 0.5 . 1 . . . . . . . . 5388 1 424 . 1 1 37 37 PHE HE1 H 1 6.97 0.02 . 1 . . . . . . . . 5388 1 425 . 1 1 37 37 PHE CE2 C 13 127.4 0.5 . 1 . . . . . . . . 5388 1 426 . 1 1 37 37 PHE HE2 H 1 6.97 0.02 . 1 . . . . . . . . 5388 1 427 . 1 1 37 37 PHE CD2 C 13 132.9 0.5 . 1 . . . . . . . . 5388 1 428 . 1 1 37 37 PHE HD2 H 1 6.64 0.02 . 1 . . . . . . . . 5388 1 429 . 1 1 37 37 PHE C C 13 175.5 0.5 . 1 . . . . . . . . 5388 1 430 . 1 1 38 38 ARG N N 15 119.9 0.4 . 1 . . . . . . . . 5388 1 431 . 1 1 38 38 ARG H H 1 9.67 0.02 . 1 . . . . . . . . 5388 1 432 . 1 1 38 38 ARG CA C 13 53.4 0.5 . 1 . . . . . . . . 5388 1 433 . 1 1 38 38 ARG HA H 1 4.91 0.02 . 1 . . . . . . . . 5388 1 434 . 1 1 38 38 ARG CB C 13 32.6 0.5 . 1 . . . . . . . . 5388 1 435 . 1 1 38 38 ARG HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5388 1 436 . 1 1 38 38 ARG HB2 H 1 1.57 0.02 . 2 . . . . . . . . 5388 1 437 . 1 1 38 38 ARG CG C 13 27.6 0.5 . 1 . . . . . . . . 5388 1 438 . 1 1 38 38 ARG HG3 H 1 1.61 0.02 . 2 . . . . . . . . 5388 1 439 . 1 1 38 38 ARG HG2 H 1 1.51 0.02 . 2 . . . . . . . . 5388 1 440 . 1 1 38 38 ARG CD C 13 43.5 0.5 . 1 . . . . . . . . 5388 1 441 . 1 1 38 38 ARG HD3 H 1 3.04 0.02 . 1 . . . . . . . . 5388 1 442 . 1 1 38 38 ARG HD2 H 1 3.04 0.02 . 1 . . . . . . . . 5388 1 443 . 1 1 38 38 ARG C C 13 176.0 0.5 . 1 . . . . . . . . 5388 1 444 . 1 1 39 39 SER N N 15 114.0 0.4 . 1 . . . . . . . . 5388 1 445 . 1 1 39 39 SER H H 1 9.01 0.02 . 1 . . . . . . . . 5388 1 446 . 1 1 39 39 SER CA C 13 60.3 0.5 . 1 . . . . . . . . 5388 1 447 . 1 1 39 39 SER HA H 1 3.25 0.02 . 1 . . . . . . . . 5388 1 448 . 1 1 39 39 SER CB C 13 63.2 0.5 . 1 . . . . . . . . 5388 1 449 . 1 1 39 39 SER HB3 H 1 3.53 0.02 . 2 . . . . . . . . 5388 1 450 . 1 1 39 39 SER HB2 H 1 3.50 0.02 . 2 . . . . . . . . 5388 1 451 . 1 1 39 39 SER C C 13 175.4 0.5 . 1 . . . . . . . . 5388 1 452 . 1 1 40 40 GLY N N 15 113.9 0.4 . 1 . . . . . . . . 5388 1 453 . 1 1 40 40 GLY H H 1 8.61 0.02 . 1 . . . . . . . . 5388 1 454 . 1 1 40 40 GLY CA C 13 45.5 0.5 . 1 . . . . . . . . 5388 1 455 . 1 1 40 40 GLY HA3 H 1 4.29 0.02 . 2 . . . . . . . . 5388 1 456 . 1 1 40 40 GLY HA2 H 1 3.34 0.02 . 2 . . . . . . . . 5388 1 457 . 1 1 40 40 GLY C C 13 174.5 0.5 . 1 . . . . . . . . 5388 1 458 . 1 1 41 41 GLU N N 15 120.1 0.4 . 1 . . . . . . . . 5388 1 459 . 1 1 41 41 GLU H H 1 7.83 0.02 . 1 . . . . . . . . 5388 1 460 . 1 1 41 41 GLU CA C 13 58.9 0.5 . 1 . . . . . . . . 5388 1 461 . 1 1 41 41 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 5388 1 462 . 1 1 41 41 GLU CB C 13 31.1 0.5 . 1 . . . . . . . . 5388 1 463 . 1 1 41 41 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5388 1 464 . 1 1 41 41 GLU HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5388 1 465 . 1 1 41 41 GLU CG C 13 40.0 0.5 . 1 . . . . . . . . 5388 1 466 . 1 1 41 41 GLU HG3 H 1 2.50 0.02 . 2 . . . . . . . . 5388 1 467 . 1 1 41 41 GLU HG2 H 1 1.98 0.02 . 2 . . . . . . . . 5388 1 468 . 1 1 41 41 GLU C C 13 174.3 0.5 . 1 . . . . . . . . 5388 1 469 . 1 1 42 42 VAL N N 15 121.6 0.4 . 1 . . . . . . . . 5388 1 470 . 1 1 42 42 VAL H H 1 8.23 0.02 . 1 . . . . . . . . 5388 1 471 . 1 1 42 42 VAL CA C 13 62.6 0.5 . 1 . . . . . . . . 5388 1 472 . 1 1 42 42 VAL HA H 1 4.36 0.02 . 1 . . . . . . . . 5388 1 473 . 1 1 42 42 VAL CB C 13 32.9 0.5 . 1 . . . . . . . . 5388 1 474 . 1 1 42 42 VAL HB H 1 1.76 0.02 . 1 . . . . . . . . 5388 1 475 . 1 1 42 42 VAL CG2 C 13 22.5 0.5 . 1 . . . . . . . . 5388 1 476 . 1 1 42 42 VAL HG21 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 477 . 1 1 42 42 VAL HG22 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 478 . 1 1 42 42 VAL HG23 H 1 0.81 0.02 . 1 . . . . . . . . 5388 1 479 . 1 1 42 42 VAL CG1 C 13 22.0 0.5 . 1 . . . . . . . . 5388 1 480 . 1 1 42 42 VAL HG11 H 1 0.75 0.02 . 1 . . . . . . . . 5388 1 481 . 1 1 42 42 VAL HG12 H 1 0.75 0.02 . 1 . . . . . . . . 5388 1 482 . 1 1 42 42 VAL HG13 H 1 0.75 0.02 . 1 . . . . . . . . 5388 1 483 . 1 1 42 42 VAL C C 13 174.8 0.5 . 1 . . . . . . . . 5388 1 484 . 1 1 43 43 VAL N N 15 127.0 0.4 . 1 . . . . . . . . 5388 1 485 . 1 1 43 43 VAL H H 1 9.00 0.02 . 1 . . . . . . . . 5388 1 486 . 1 1 43 43 VAL CA C 13 61.3 0.5 . 1 . . . . . . . . 5388 1 487 . 1 1 43 43 VAL HA H 1 3.93 0.02 . 1 . . . . . . . . 5388 1 488 . 1 1 43 43 VAL CB C 13 35.1 0.5 . 1 . . . . . . . . 5388 1 489 . 1 1 43 43 VAL HB H 1 1.36 0.02 . 1 . . . . . . . . 5388 1 490 . 1 1 43 43 VAL CG2 C 13 22.0 0.5 . 1 . . . . . . . . 5388 1 491 . 1 1 43 43 VAL HG21 H 1 0.32 0.02 . 1 . . . . . . . . 5388 1 492 . 1 1 43 43 VAL HG22 H 1 0.32 0.02 . 1 . . . . . . . . 5388 1 493 . 1 1 43 43 VAL HG23 H 1 0.32 0.02 . 1 . . . . . . . . 5388 1 494 . 1 1 43 43 VAL CG1 C 13 21.1 0.5 . 1 . . . . . . . . 5388 1 495 . 1 1 43 43 VAL HG11 H 1 0.09 0.02 . 1 . . . . . . . . 5388 1 496 . 1 1 43 43 VAL HG12 H 1 0.09 0.02 . 1 . . . . . . . . 5388 1 497 . 1 1 43 43 VAL HG13 H 1 0.09 0.02 . 1 . . . . . . . . 5388 1 498 . 1 1 43 43 VAL C C 13 174.6 0.5 . 1 . . . . . . . . 5388 1 499 . 1 1 44 44 GLU N N 15 126.8 0.4 . 1 . . . . . . . . 5388 1 500 . 1 1 44 44 GLU H H 1 7.84 0.02 . 1 . . . . . . . . 5388 1 501 . 1 1 44 44 GLU CA C 13 55.6 0.5 . 1 . . . . . . . . 5388 1 502 . 1 1 44 44 GLU HA H 1 3.93 0.02 . 1 . . . . . . . . 5388 1 503 . 1 1 44 44 GLU CB C 13 30.9 0.5 . 1 . . . . . . . . 5388 1 504 . 1 1 44 44 GLU HB3 H 1 1.56 0.02 . 2 . . . . . . . . 5388 1 505 . 1 1 44 44 GLU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5388 1 506 . 1 1 44 44 GLU CG C 13 35.8 0.5 . 1 . . . . . . . . 5388 1 507 . 1 1 44 44 GLU HG3 H 1 0.98 0.02 . 2 . . . . . . . . 5388 1 508 . 1 1 44 44 GLU HG2 H 1 1.32 0.02 . 2 . . . . . . . . 5388 1 509 . 1 1 44 44 GLU C C 13 175.3 0.5 . 1 . . . . . . . . 5388 1 510 . 1 1 45 45 VAL N N 15 128.2 0.4 . 1 . . . . . . . . 5388 1 511 . 1 1 45 45 VAL H H 1 8.31 0.02 . 1 . . . . . . . . 5388 1 512 . 1 1 45 45 VAL CA C 13 63.8 0.5 . 1 . . . . . . . . 5388 1 513 . 1 1 45 45 VAL HA H 1 3.90 0.02 . 1 . . . . . . . . 5388 1 514 . 1 1 45 45 VAL CB C 13 32.0 0.5 . 1 . . . . . . . . 5388 1 515 . 1 1 45 45 VAL HB H 1 1.54 0.02 . 1 . . . . . . . . 5388 1 516 . 1 1 45 45 VAL CG2 C 13 23.1 0.5 . 1 . . . . . . . . 5388 1 517 . 1 1 45 45 VAL HG21 H 1 0.40 0.02 . 1 . . . . . . . . 5388 1 518 . 1 1 45 45 VAL HG22 H 1 0.40 0.02 . 1 . . . . . . . . 5388 1 519 . 1 1 45 45 VAL HG23 H 1 0.40 0.02 . 1 . . . . . . . . 5388 1 520 . 1 1 45 45 VAL CG1 C 13 23.0 0.5 . 1 . . . . . . . . 5388 1 521 . 1 1 45 45 VAL HG11 H 1 0.80 0.02 . 1 . . . . . . . . 5388 1 522 . 1 1 45 45 VAL HG12 H 1 0.80 0.02 . 1 . . . . . . . . 5388 1 523 . 1 1 45 45 VAL HG13 H 1 0.80 0.02 . 1 . . . . . . . . 5388 1 524 . 1 1 45 45 VAL C C 13 174.5 0.5 . 1 . . . . . . . . 5388 1 525 . 1 1 46 46 LEU N N 15 128.2 0.4 . 1 . . . . . . . . 5388 1 526 . 1 1 46 46 LEU H H 1 8.81 0.02 . 1 . . . . . . . . 5388 1 527 . 1 1 46 46 LEU CA C 13 55.7 0.5 . 1 . . . . . . . . 5388 1 528 . 1 1 46 46 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 5388 1 529 . 1 1 46 46 LEU CB C 13 43.1 0.5 . 1 . . . . . . . . 5388 1 530 . 1 1 46 46 LEU HB3 H 1 1.39 0.02 . 2 . . . . . . . . 5388 1 531 . 1 1 46 46 LEU HB2 H 1 1.10 0.02 . 2 . . . . . . . . 5388 1 532 . 1 1 46 46 LEU CG C 13 28.6 0.5 . 1 . . . . . . . . 5388 1 533 . 1 1 46 46 LEU HG H 1 1.32 0.02 . 1 . . . . . . . . 5388 1 534 . 1 1 46 46 LEU CD1 C 13 23.6 0.5 . 1 . . . . . . . . 5388 1 535 . 1 1 46 46 LEU HD11 H 1 0.51 0.02 . 1 . . . . . . . . 5388 1 536 . 1 1 46 46 LEU HD12 H 1 0.51 0.02 . 1 . . . . . . . . 5388 1 537 . 1 1 46 46 LEU HD13 H 1 0.51 0.02 . 1 . . . . . . . . 5388 1 538 . 1 1 46 46 LEU CD2 C 13 26.3 0.5 . 1 . . . . . . . . 5388 1 539 . 1 1 46 46 LEU HD21 H 1 0.59 0.02 . 1 . . . . . . . . 5388 1 540 . 1 1 46 46 LEU HD22 H 1 0.59 0.02 . 1 . . . . . . . . 5388 1 541 . 1 1 46 46 LEU HD23 H 1 0.59 0.02 . 1 . . . . . . . . 5388 1 542 . 1 1 46 46 LEU C C 13 177.0 0.5 . 1 . . . . . . . . 5388 1 543 . 1 1 47 47 ASP N N 15 117.0 0.4 . 1 . . . . . . . . 5388 1 544 . 1 1 47 47 ASP H H 1 7.36 0.02 . 1 . . . . . . . . 5388 1 545 . 1 1 47 47 ASP CA C 13 54.6 0.5 . 1 . . . . . . . . 5388 1 546 . 1 1 47 47 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5388 1 547 . 1 1 47 47 ASP CB C 13 43.4 0.5 . 1 . . . . . . . . 5388 1 548 . 1 1 47 47 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5388 1 549 . 1 1 47 47 ASP HB2 H 1 2.41 0.02 . 2 . . . . . . . . 5388 1 550 . 1 1 47 47 ASP C C 13 174.5 0.5 . 1 . . . . . . . . 5388 1 551 . 1 1 48 48 SER N N 15 121.8 0.4 . 1 . . . . . . . . 5388 1 552 . 1 1 48 48 SER H H 1 8.54 0.02 . 1 . . . . . . . . 5388 1 553 . 1 1 48 48 SER CA C 13 56.8 0.5 . 1 . . . . . . . . 5388 1 554 . 1 1 48 48 SER HA H 1 3.32 0.02 . 1 . . . . . . . . 5388 1 555 . 1 1 48 48 SER CB C 13 62.0 0.5 . 1 . . . . . . . . 5388 1 556 . 1 1 48 48 SER HB3 H 1 2.64 0.02 . 2 . . . . . . . . 5388 1 557 . 1 1 48 48 SER HB2 H 1 1.72 0.02 . 2 . . . . . . . . 5388 1 558 . 1 1 48 48 SER C C 13 173.8 0.5 . 1 . . . . . . . . 5388 1 559 . 1 1 49 49 SER N N 15 118.3 0.4 . 1 . . . . . . . . 5388 1 560 . 1 1 49 49 SER H H 1 8.21 0.02 . 1 . . . . . . . . 5388 1 561 . 1 1 49 49 SER CA C 13 61.3 0.5 . 1 . . . . . . . . 5388 1 562 . 1 1 49 49 SER HA H 1 3.92 0.02 . 1 . . . . . . . . 5388 1 563 . 1 1 49 49 SER CB C 13 63.6 0.5 . 1 . . . . . . . . 5388 1 564 . 1 1 49 49 SER HB3 H 1 3.78 0.02 . 1 . . . . . . . . 5388 1 565 . 1 1 49 49 SER HB2 H 1 3.78 0.02 . 1 . . . . . . . . 5388 1 566 . 1 1 49 49 SER C C 13 174.9 0.5 . 1 . . . . . . . . 5388 1 567 . 1 1 50 50 ASN N N 15 126.3 0.4 . 1 . . . . . . . . 5388 1 568 . 1 1 50 50 ASN H H 1 8.56 0.02 . 1 . . . . . . . . 5388 1 569 . 1 1 50 50 ASN CA C 13 51.6 0.5 . 1 . . . . . . . . 5388 1 570 . 1 1 50 50 ASN HA H 1 4.99 0.02 . 1 . . . . . . . . 5388 1 571 . 1 1 50 50 ASN CB C 13 40.8 0.5 . 1 . . . . . . . . 5388 1 572 . 1 1 50 50 ASN HB3 H 1 3.47 0.02 . 2 . . . . . . . . 5388 1 573 . 1 1 50 50 ASN HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5388 1 574 . 1 1 50 50 ASN ND2 N 15 116.0 0.4 . 1 . . . . . . . . 5388 1 575 . 1 1 50 50 ASN HD21 H 1 8.21 0.02 . 2 . . . . . . . . 5388 1 576 . 1 1 50 50 ASN HD22 H 1 7.63 0.02 . 2 . . . . . . . . 5388 1 577 . 1 1 50 50 ASN C C 13 177.9 0.5 . 1 . . . . . . . . 5388 1 578 . 1 1 51 51 PRO CA C 13 64.6 0.5 . 1 . . . . . . . . 5388 1 579 . 1 1 51 51 PRO HA H 1 4.49 0.02 . 1 . . . . . . . . 5388 1 580 . 1 1 51 51 PRO CB C 13 32.8 0.5 . 1 . . . . . . . . 5388 1 581 . 1 1 51 51 PRO HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5388 1 582 . 1 1 51 51 PRO HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5388 1 583 . 1 1 51 51 PRO CG C 13 28.0 0.5 . 1 . . . . . . . . 5388 1 584 . 1 1 51 51 PRO HG3 H 1 1.97 0.02 . 1 . . . . . . . . 5388 1 585 . 1 1 51 51 PRO HG2 H 1 1.97 0.02 . 1 . . . . . . . . 5388 1 586 . 1 1 51 51 PRO CD C 13 50.9 0.5 . 1 . . . . . . . . 5388 1 587 . 1 1 51 51 PRO HD3 H 1 3.82 0.02 . 2 . . . . . . . . 5388 1 588 . 1 1 51 51 PRO HD2 H 1 3.68 0.02 . 2 . . . . . . . . 5388 1 589 . 1 1 51 51 PRO C C 13 177.3 0.5 . 1 . . . . . . . . 5388 1 590 . 1 1 52 52 SER N N 15 112.2 0.4 . 1 . . . . . . . . 5388 1 591 . 1 1 52 52 SER H H 1 8.32 0.02 . 1 . . . . . . . . 5388 1 592 . 1 1 52 52 SER CA C 13 60.7 0.5 . 1 . . . . . . . . 5388 1 593 . 1 1 52 52 SER HA H 1 4.27 0.02 . 1 . . . . . . . . 5388 1 594 . 1 1 52 52 SER CB C 13 65.4 0.5 . 1 . . . . . . . . 5388 1 595 . 1 1 52 52 SER HB3 H 1 3.86 0.02 . 2 . . . . . . . . 5388 1 596 . 1 1 52 52 SER HB2 H 1 3.72 0.02 . 2 . . . . . . . . 5388 1 597 . 1 1 52 52 SER C C 13 174.3 0.5 . 1 . . . . . . . . 5388 1 598 . 1 1 53 53 TRP N N 15 124.8 0.4 . 1 . . . . . . . . 5388 1 599 . 1 1 53 53 TRP H H 1 8.34 0.02 . 1 . . . . . . . . 5388 1 600 . 1 1 53 53 TRP CA C 13 57.1 0.5 . 1 . . . . . . . . 5388 1 601 . 1 1 53 53 TRP HA H 1 4.62 0.02 . 1 . . . . . . . . 5388 1 602 . 1 1 53 53 TRP CB C 13 32.5 0.5 . 1 . . . . . . . . 5388 1 603 . 1 1 53 53 TRP HB3 H 1 2.73 0.02 . 2 . . . . . . . . 5388 1 604 . 1 1 53 53 TRP HB2 H 1 2.48 0.02 . 2 . . . . . . . . 5388 1 605 . 1 1 53 53 TRP CD1 C 13 127.8 0.5 . 1 . . . . . . . . 5388 1 606 . 1 1 53 53 TRP HD1 H 1 6.76 0.02 . 1 . . . . . . . . 5388 1 607 . 1 1 53 53 TRP NE1 N 15 130.2 0.4 . 1 . . . . . . . . 5388 1 608 . 1 1 53 53 TRP HE1 H 1 9.65 0.02 . 1 . . . . . . . . 5388 1 609 . 1 1 53 53 TRP HZ2 H 1 7.02 0.02 . 1 . . . . . . . . 5388 1 610 . 1 1 53 53 TRP C C 13 173.7 0.5 . 1 . . . . . . . . 5388 1 611 . 1 1 54 54 TRP N N 15 124.9 0.4 . 1 . . . . . . . . 5388 1 612 . 1 1 54 54 TRP H H 1 8.27 0.02 . 1 . . . . . . . . 5388 1 613 . 1 1 54 54 TRP CA C 13 53.4 0.5 . 1 . . . . . . . . 5388 1 614 . 1 1 54 54 TRP HA H 1 5.05 0.02 . 1 . . . . . . . . 5388 1 615 . 1 1 54 54 TRP CB C 13 33.7 0.5 . 1 . . . . . . . . 5388 1 616 . 1 1 54 54 TRP HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5388 1 617 . 1 1 54 54 TRP HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5388 1 618 . 1 1 54 54 TRP CD1 C 13 124.8 0.5 . 1 . . . . . . . . 5388 1 619 . 1 1 54 54 TRP HD1 H 1 7.12 0.02 . 1 . . . . . . . . 5388 1 620 . 1 1 54 54 TRP NE1 N 15 129.1 0.4 . 1 . . . . . . . . 5388 1 621 . 1 1 54 54 TRP HE1 H 1 9.06 0.02 . 1 . . . . . . . . 5388 1 622 . 1 1 54 54 TRP HZ2 H 1 7.36 0.02 . 1 . . . . . . . . 5388 1 623 . 1 1 54 54 TRP HZ3 H 1 6.85 0.02 . 1 . . . . . . . . 5388 1 624 . 1 1 54 54 TRP C C 13 174.3 0.5 . 1 . . . . . . . . 5388 1 625 . 1 1 55 55 THR N N 15 113.3 0.4 . 1 . . . . . . . . 5388 1 626 . 1 1 55 55 THR H H 1 8.23 0.02 . 1 . . . . . . . . 5388 1 627 . 1 1 55 55 THR CA C 13 62.0 0.5 . 1 . . . . . . . . 5388 1 628 . 1 1 55 55 THR HA H 1 5.04 0.02 . 1 . . . . . . . . 5388 1 629 . 1 1 55 55 THR CB C 13 70.1 0.5 . 1 . . . . . . . . 5388 1 630 . 1 1 55 55 THR HB H 1 3.82 0.02 . 1 . . . . . . . . 5388 1 631 . 1 1 55 55 THR CG2 C 13 22.7 0.5 . 1 . . . . . . . . 5388 1 632 . 1 1 55 55 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 5388 1 633 . 1 1 55 55 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 5388 1 634 . 1 1 55 55 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 5388 1 635 . 1 1 55 55 THR C C 13 175.5 0.5 . 1 . . . . . . . . 5388 1 636 . 1 1 56 56 GLY N N 15 114.9 0.4 . 1 . . . . . . . . 5388 1 637 . 1 1 56 56 GLY H H 1 9.58 0.02 . 1 . . . . . . . . 5388 1 638 . 1 1 56 56 GLY CA C 13 46.2 0.5 . 1 . . . . . . . . 5388 1 639 . 1 1 56 56 GLY HA3 H 1 5.14 0.02 . 2 . . . . . . . . 5388 1 640 . 1 1 56 56 GLY HA2 H 1 3.85 0.02 . 2 . . . . . . . . 5388 1 641 . 1 1 56 56 GLY C C 13 169.5 0.5 . 1 . . . . . . . . 5388 1 642 . 1 1 57 57 ARG N N 15 117.9 0.4 . 1 . . . . . . . . 5388 1 643 . 1 1 57 57 ARG H H 1 8.92 0.02 . 1 . . . . . . . . 5388 1 644 . 1 1 57 57 ARG CA C 13 54.6 0.5 . 1 . . . . . . . . 5388 1 645 . 1 1 57 57 ARG HA H 1 5.65 0.02 . 1 . . . . . . . . 5388 1 646 . 1 1 57 57 ARG CB C 13 35.5 0.5 . 1 . . . . . . . . 5388 1 647 . 1 1 57 57 ARG HB3 H 1 1.63 0.02 . 2 . . . . . . . . 5388 1 648 . 1 1 57 57 ARG HB2 H 1 1.41 0.02 . 2 . . . . . . . . 5388 1 649 . 1 1 57 57 ARG CG C 13 27.3 0.5 . 1 . . . . . . . . 5388 1 650 . 1 1 57 57 ARG HG3 H 1 1.36 0.02 . 2 . . . . . . . . 5388 1 651 . 1 1 57 57 ARG HG2 H 1 1.41 0.02 . 2 . . . . . . . . 5388 1 652 . 1 1 57 57 ARG CD C 13 44.5 0.5 . 1 . . . . . . . . 5388 1 653 . 1 1 57 57 ARG HD3 H 1 2.98 0.02 . 2 . . . . . . . . 5388 1 654 . 1 1 57 57 ARG HD2 H 1 3.12 0.02 . 2 . . . . . . . . 5388 1 655 . 1 1 57 57 ARG C C 13 175.0 0.5 . 1 . . . . . . . . 5388 1 656 . 1 1 58 58 LEU N N 15 127.1 0.4 . 1 . . . . . . . . 5388 1 657 . 1 1 58 58 LEU H H 1 8.70 0.02 . 1 . . . . . . . . 5388 1 658 . 1 1 58 58 LEU CA C 13 55.9 0.5 . 1 . . . . . . . . 5388 1 659 . 1 1 58 58 LEU HA H 1 4.45 0.02 . 1 . . . . . . . . 5388 1 660 . 1 1 58 58 LEU CB C 13 46.1 0.5 . 1 . . . . . . . . 5388 1 661 . 1 1 58 58 LEU HB3 H 1 1.68 0.02 . 2 . . . . . . . . 5388 1 662 . 1 1 58 58 LEU HB2 H 1 1.38 0.02 . 2 . . . . . . . . 5388 1 663 . 1 1 58 58 LEU CG C 13 28.0 0.5 . 1 . . . . . . . . 5388 1 664 . 1 1 58 58 LEU HG H 1 1.00 0.02 . 1 . . . . . . . . 5388 1 665 . 1 1 58 58 LEU CD1 C 13 27.9 0.5 . 1 . . . . . . . . 5388 1 666 . 1 1 58 58 LEU HD11 H 1 0.90 0.02 . 1 . . . . . . . . 5388 1 667 . 1 1 58 58 LEU HD12 H 1 0.90 0.02 . 1 . . . . . . . . 5388 1 668 . 1 1 58 58 LEU HD13 H 1 0.90 0.02 . 1 . . . . . . . . 5388 1 669 . 1 1 58 58 LEU CD2 C 13 23.9 0.5 . 1 . . . . . . . . 5388 1 670 . 1 1 58 58 LEU HD21 H 1 0.68 0.02 . 1 . . . . . . . . 5388 1 671 . 1 1 58 58 LEU HD22 H 1 0.68 0.02 . 1 . . . . . . . . 5388 1 672 . 1 1 58 58 LEU HD23 H 1 0.68 0.02 . 1 . . . . . . . . 5388 1 673 . 1 1 58 58 LEU C C 13 175.8 0.5 . 1 . . . . . . . . 5388 1 674 . 1 1 59 59 HIS N N 15 125.7 0.4 . 1 . . . . . . . . 5388 1 675 . 1 1 59 59 HIS H H 1 9.58 0.02 . 1 . . . . . . . . 5388 1 676 . 1 1 59 59 HIS CA C 13 56.9 0.5 . 1 . . . . . . . . 5388 1 677 . 1 1 59 59 HIS HA H 1 4.33 0.02 . 1 . . . . . . . . 5388 1 678 . 1 1 59 59 HIS CB C 13 27.6 0.5 . 1 . . . . . . . . 5388 1 679 . 1 1 59 59 HIS HB3 H 1 3.17 0.02 . 2 . . . . . . . . 5388 1 680 . 1 1 59 59 HIS HB2 H 1 3.39 0.02 . 2 . . . . . . . . 5388 1 681 . 1 1 59 59 HIS CD2 C 13 120.0 0.5 . 1 . . . . . . . . 5388 1 682 . 1 1 59 59 HIS HD2 H 1 7.23 0.02 . 1 . . . . . . . . 5388 1 683 . 1 1 59 59 HIS HE1 H 1 6.57 0.02 . 1 . . . . . . . . 5388 1 684 . 1 1 59 59 HIS C C 13 174.4 0.5 . 1 . . . . . . . . 5388 1 685 . 1 1 60 60 ASN N N 15 111.4 0.4 . 1 . . . . . . . . 5388 1 686 . 1 1 60 60 ASN H H 1 9.00 0.02 . 1 . . . . . . . . 5388 1 687 . 1 1 60 60 ASN CA C 13 55.0 0.5 . 1 . . . . . . . . 5388 1 688 . 1 1 60 60 ASN HA H 1 4.19 0.02 . 1 . . . . . . . . 5388 1 689 . 1 1 60 60 ASN CB C 13 38.6 0.5 . 1 . . . . . . . . 5388 1 690 . 1 1 60 60 ASN HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5388 1 691 . 1 1 60 60 ASN HB2 H 1 2.99 0.02 . 2 . . . . . . . . 5388 1 692 . 1 1 60 60 ASN CG C 13 178.3 0.5 . 1 . . . . . . . . 5388 1 693 . 1 1 60 60 ASN ND2 N 15 113.3 0.4 . 1 . . . . . . . . 5388 1 694 . 1 1 60 60 ASN HD21 H 1 7.57 0.02 . 2 . . . . . . . . 5388 1 695 . 1 1 60 60 ASN HD22 H 1 6.91 0.02 . 2 . . . . . . . . 5388 1 696 . 1 1 60 60 ASN C C 13 173.5 0.5 . 1 . . . . . . . . 5388 1 697 . 1 1 61 61 LYS N N 15 121.3 0.4 . 1 . . . . . . . . 5388 1 698 . 1 1 61 61 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 5388 1 699 . 1 1 61 61 LYS CA C 13 55.7 0.5 . 1 . . . . . . . . 5388 1 700 . 1 1 61 61 LYS HA H 1 4.53 0.02 . 1 . . . . . . . . 5388 1 701 . 1 1 61 61 LYS CB C 13 35.3 0.5 . 1 . . . . . . . . 5388 1 702 . 1 1 61 61 LYS HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5388 1 703 . 1 1 61 61 LYS HB2 H 1 1.83 0.02 . 2 . . . . . . . . 5388 1 704 . 1 1 61 61 LYS CG C 13 25.9 0.5 . 1 . . . . . . . . 5388 1 705 . 1 1 61 61 LYS HG3 H 1 1.39 0.02 . 2 . . . . . . . . 5388 1 706 . 1 1 61 61 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 5388 1 707 . 1 1 61 61 LYS CD C 13 29.7 0.5 . 1 . . . . . . . . 5388 1 708 . 1 1 61 61 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 5388 1 709 . 1 1 61 61 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 5388 1 710 . 1 1 61 61 LYS CE C 13 43.3 0.5 . 1 . . . . . . . . 5388 1 711 . 1 1 61 61 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 5388 1 712 . 1 1 61 61 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 5388 1 713 . 1 1 61 61 LYS C C 13 173.5 0.5 . 1 . . . . . . . . 5388 1 714 . 1 1 62 62 LEU N N 15 122.5 0.4 . 1 . . . . . . . . 5388 1 715 . 1 1 62 62 LEU H H 1 8.29 0.02 . 1 . . . . . . . . 5388 1 716 . 1 1 62 62 LEU CA C 13 54.2 0.5 . 1 . . . . . . . . 5388 1 717 . 1 1 62 62 LEU HA H 1 5.59 0.02 . 1 . . . . . . . . 5388 1 718 . 1 1 62 62 LEU CB C 13 46.6 0.5 . 1 . . . . . . . . 5388 1 719 . 1 1 62 62 LEU HB3 H 1 1.48 0.02 . 1 . . . . . . . . 5388 1 720 . 1 1 62 62 LEU HB2 H 1 1.48 0.02 . 1 . . . . . . . . 5388 1 721 . 1 1 62 62 LEU CG C 13 28.7 0.5 . 1 . . . . . . . . 5388 1 722 . 1 1 62 62 LEU HG H 1 1.49 0.02 . 1 . . . . . . . . 5388 1 723 . 1 1 62 62 LEU CD1 C 13 26.2 0.5 . 1 . . . . . . . . 5388 1 724 . 1 1 62 62 LEU HD11 H 1 0.68 0.02 . 1 . . . . . . . . 5388 1 725 . 1 1 62 62 LEU HD12 H 1 0.68 0.02 . 1 . . . . . . . . 5388 1 726 . 1 1 62 62 LEU HD13 H 1 0.68 0.02 . 1 . . . . . . . . 5388 1 727 . 1 1 62 62 LEU CD2 C 13 26.2 0.5 . 1 . . . . . . . . 5388 1 728 . 1 1 62 62 LEU HD21 H 1 0.72 0.02 . 1 . . . . . . . . 5388 1 729 . 1 1 62 62 LEU HD22 H 1 0.72 0.02 . 1 . . . . . . . . 5388 1 730 . 1 1 62 62 LEU HD23 H 1 0.72 0.02 . 1 . . . . . . . . 5388 1 731 . 1 1 62 62 LEU C C 13 177.8 0.5 . 1 . . . . . . . . 5388 1 732 . 1 1 63 63 GLY N N 15 106.8 0.4 . 1 . . . . . . . . 5388 1 733 . 1 1 63 63 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 5388 1 734 . 1 1 63 63 GLY CA C 13 46.4 0.5 . 1 . . . . . . . . 5388 1 735 . 1 1 63 63 GLY HA3 H 1 4.09 0.02 . 2 . . . . . . . . 5388 1 736 . 1 1 63 63 GLY HA2 H 1 3.91 0.02 . 2 . . . . . . . . 5388 1 737 . 1 1 63 63 GLY C C 13 170.8 0.5 . 1 . . . . . . . . 5388 1 738 . 1 1 64 64 LEU N N 15 119.9 0.4 . 1 . . . . . . . . 5388 1 739 . 1 1 64 64 LEU H H 1 9.12 0.02 . 1 . . . . . . . . 5388 1 740 . 1 1 64 64 LEU CA C 13 54.6 0.5 . 1 . . . . . . . . 5388 1 741 . 1 1 64 64 LEU HA H 1 5.61 0.02 . 1 . . . . . . . . 5388 1 742 . 1 1 64 64 LEU CB C 13 46.7 0.5 . 1 . . . . . . . . 5388 1 743 . 1 1 64 64 LEU HB3 H 1 1.59 0.02 . 2 . . . . . . . . 5388 1 744 . 1 1 64 64 LEU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 5388 1 745 . 1 1 64 64 LEU CG C 13 28.3 0.5 . 1 . . . . . . . . 5388 1 746 . 1 1 64 64 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 5388 1 747 . 1 1 64 64 LEU CD1 C 13 25.6 0.5 . 1 . . . . . . . . 5388 1 748 . 1 1 64 64 LEU HD11 H 1 0.66 0.02 . 1 . . . . . . . . 5388 1 749 . 1 1 64 64 LEU HD12 H 1 0.66 0.02 . 1 . . . . . . . . 5388 1 750 . 1 1 64 64 LEU HD13 H 1 0.66 0.02 . 1 . . . . . . . . 5388 1 751 . 1 1 64 64 LEU CD2 C 13 27.4 0.5 . 1 . . . . . . . . 5388 1 752 . 1 1 64 64 LEU HD21 H 1 0.57 0.02 . 1 . . . . . . . . 5388 1 753 . 1 1 64 64 LEU HD22 H 1 0.57 0.02 . 1 . . . . . . . . 5388 1 754 . 1 1 64 64 LEU HD23 H 1 0.57 0.02 . 1 . . . . . . . . 5388 1 755 . 1 1 64 64 LEU C C 13 177.8 0.5 . 1 . . . . . . . . 5388 1 756 . 1 1 65 65 PHE N N 15 116.92 0.4 . 1 . . . . . . . . 5388 1 757 . 1 1 65 65 PHE H H 1 8.94 0.02 . 1 . . . . . . . . 5388 1 758 . 1 1 65 65 PHE CA C 13 56.0 0.5 . 1 . . . . . . . . 5388 1 759 . 1 1 65 65 PHE HA H 1 4.84 0.02 . 1 . . . . . . . . 5388 1 760 . 1 1 65 65 PHE CB C 13 40.2 0.5 . 1 . . . . . . . . 5388 1 761 . 1 1 65 65 PHE HB3 H 1 3.41 0.02 . 2 . . . . . . . . 5388 1 762 . 1 1 65 65 PHE HB2 H 1 2.53 0.02 . 2 . . . . . . . . 5388 1 763 . 1 1 65 65 PHE CD1 C 13 133.7 0.5 . 1 . . . . . . . . 5388 1 764 . 1 1 65 65 PHE HD1 H 1 7.00 0.02 . 1 . . . . . . . . 5388 1 765 . 1 1 65 65 PHE CE1 C 13 129.9 0.5 . 1 . . . . . . . . 5388 1 766 . 1 1 65 65 PHE HE1 H 1 6.87 0.02 . 1 . . . . . . . . 5388 1 767 . 1 1 65 65 PHE HZ H 1 6.64 0.02 . 1 . . . . . . . . 5388 1 768 . 1 1 65 65 PHE CE2 C 13 129.9 0.5 . 1 . . . . . . . . 5388 1 769 . 1 1 65 65 PHE HE2 H 1 6.87 0.02 . 1 . . . . . . . . 5388 1 770 . 1 1 65 65 PHE CD2 C 13 133.7 0.5 . 1 . . . . . . . . 5388 1 771 . 1 1 65 65 PHE HD2 H 1 7.00 0.02 . 1 . . . . . . . . 5388 1 772 . 1 1 66 66 PRO CA C 13 61.2 0.5 . 1 . . . . . . . . 5388 1 773 . 1 1 66 66 PRO HA H 1 3.18 0.02 . 1 . . . . . . . . 5388 1 774 . 1 1 66 66 PRO CB C 13 31.0 0.5 . 1 . . . . . . . . 5388 1 775 . 1 1 66 66 PRO HB3 H 1 1.29 0.02 . 2 . . . . . . . . 5388 1 776 . 1 1 66 66 PRO HB2 H 1 0.91 0.02 . 2 . . . . . . . . 5388 1 777 . 1 1 66 66 PRO CG C 13 28.3 0.5 . 1 . . . . . . . . 5388 1 778 . 1 1 66 66 PRO HG3 H 1 0.28 0.02 . 2 . . . . . . . . 5388 1 779 . 1 1 66 66 PRO HG2 H 1 -0.14 0.02 . 2 . . . . . . . . 5388 1 780 . 1 1 66 66 PRO CD C 13 49.3 0.5 . 1 . . . . . . . . 5388 1 781 . 1 1 66 66 PRO HD3 H 1 1.60 0.02 . 2 . . . . . . . . 5388 1 782 . 1 1 66 66 PRO HD2 H 1 1.71 0.02 . 2 . . . . . . . . 5388 1 783 . 1 1 66 66 PRO C C 13 177.8 0.5 . 1 . . . . . . . . 5388 1 784 . 1 1 67 67 ALA N N 15 128.4 0.4 . 1 . . . . . . . . 5388 1 785 . 1 1 67 67 ALA H H 1 7.33 0.02 . 1 . . . . . . . . 5388 1 786 . 1 1 67 67 ALA CA C 13 55.2 0.5 . 1 . . . . . . . . 5388 1 787 . 1 1 67 67 ALA HA H 1 2.51 0.02 . 1 . . . . . . . . 5388 1 788 . 1 1 67 67 ALA CB C 13 16.3 0.5 . 1 . . . . . . . . 5388 1 789 . 1 1 67 67 ALA HB1 H 1 -0.38 0.02 . 1 . . . . . . . . 5388 1 790 . 1 1 67 67 ALA HB2 H 1 -0.38 0.02 . 1 . . . . . . . . 5388 1 791 . 1 1 67 67 ALA HB3 H 1 -0.38 0.02 . 1 . . . . . . . . 5388 1 792 . 1 1 67 67 ALA C C 13 177.5 0.5 . 1 . . . . . . . . 5388 1 793 . 1 1 68 68 ASN N N 15 108.7 0.4 . 1 . . . . . . . . 5388 1 794 . 1 1 68 68 ASN H H 1 7.69 0.02 . 1 . . . . . . . . 5388 1 795 . 1 1 68 68 ASN CA C 13 52.7 0.5 . 1 . . . . . . . . 5388 1 796 . 1 1 68 68 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 5388 1 797 . 1 1 68 68 ASN CB C 13 36.2 0.5 . 1 . . . . . . . . 5388 1 798 . 1 1 68 68 ASN HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5388 1 799 . 1 1 68 68 ASN HB2 H 1 3.02 0.02 . 2 . . . . . . . . 5388 1 800 . 1 1 68 68 ASN CG C 13 176.4 0.5 . 1 . . . . . . . . 5388 1 801 . 1 1 68 68 ASN ND2 N 15 108.4 0.4 . 1 . . . . . . . . 5388 1 802 . 1 1 68 68 ASN HD21 H 1 7.37 0.02 . 2 . . . . . . . . 5388 1 803 . 1 1 68 68 ASN HD22 H 1 6.68 0.02 . 2 . . . . . . . . 5388 1 804 . 1 1 68 68 ASN C C 13 175.1 0.5 . 1 . . . . . . . . 5388 1 805 . 1 1 69 69 TYR N N 15 118.6 0.4 . 1 . . . . . . . . 5388 1 806 . 1 1 69 69 TYR H H 1 7.89 0.02 . 1 . . . . . . . . 5388 1 807 . 1 1 69 69 TYR CA C 13 59.3 0.5 . 1 . . . . . . . . 5388 1 808 . 1 1 69 69 TYR HA H 1 4.59 0.02 . 1 . . . . . . . . 5388 1 809 . 1 1 69 69 TYR CB C 13 38.9 0.5 . 1 . . . . . . . . 5388 1 810 . 1 1 69 69 TYR HB3 H 1 3.42 0.02 . 1 . . . . . . . . 5388 1 811 . 1 1 69 69 TYR HB2 H 1 3.42 0.02 . 1 . . . . . . . . 5388 1 812 . 1 1 69 69 TYR CD1 C 13 131.8 0.5 . 1 . . . . . . . . 5388 1 813 . 1 1 69 69 TYR HD1 H 1 7.07 0.02 . 1 . . . . . . . . 5388 1 814 . 1 1 69 69 TYR CE1 C 13 118.3 0.5 . 1 . . . . . . . . 5388 1 815 . 1 1 69 69 TYR HE1 H 1 6.61 0.02 . 1 . . . . . . . . 5388 1 816 . 1 1 69 69 TYR CE2 C 13 118.3 0.5 . 1 . . . . . . . . 5388 1 817 . 1 1 69 69 TYR HE2 H 1 6.61 0.02 . 1 . . . . . . . . 5388 1 818 . 1 1 69 69 TYR CD2 C 13 131.8 0.5 . 1 . . . . . . . . 5388 1 819 . 1 1 69 69 TYR HD2 H 1 7.07 0.02 . 1 . . . . . . . . 5388 1 820 . 1 1 69 69 TYR C C 13 175.3 0.5 . 1 . . . . . . . . 5388 1 821 . 1 1 70 70 VAL N N 15 109.1 0.4 . 1 . . . . . . . . 5388 1 822 . 1 1 70 70 VAL H H 1 7.33 0.02 . 1 . . . . . . . . 5388 1 823 . 1 1 70 70 VAL CA C 13 58.6 0.5 . 1 . . . . . . . . 5388 1 824 . 1 1 70 70 VAL HA H 1 5.07 0.02 . 1 . . . . . . . . 5388 1 825 . 1 1 70 70 VAL CB C 13 36.1 0.5 . 1 . . . . . . . . 5388 1 826 . 1 1 70 70 VAL HB H 1 1.51 0.02 . 1 . . . . . . . . 5388 1 827 . 1 1 70 70 VAL CG2 C 13 21.9 0.5 . 1 . . . . . . . . 5388 1 828 . 1 1 70 70 VAL HG21 H 1 0.21 0.02 . 1 . . . . . . . . 5388 1 829 . 1 1 70 70 VAL HG22 H 1 0.21 0.02 . 1 . . . . . . . . 5388 1 830 . 1 1 70 70 VAL HG23 H 1 0.21 0.02 . 1 . . . . . . . . 5388 1 831 . 1 1 70 70 VAL CG1 C 13 20.3 0.5 . 1 . . . . . . . . 5388 1 832 . 1 1 70 70 VAL HG11 H 1 0.69 0.02 . 1 . . . . . . . . 5388 1 833 . 1 1 70 70 VAL HG12 H 1 0.69 0.02 . 1 . . . . . . . . 5388 1 834 . 1 1 70 70 VAL HG13 H 1 0.69 0.02 . 1 . . . . . . . . 5388 1 835 . 1 1 70 70 VAL C C 13 173.1 0.5 . 1 . . . . . . . . 5388 1 836 . 1 1 71 71 ALA N N 15 122.2 0.4 . 1 . . . . . . . . 5388 1 837 . 1 1 71 71 ALA H H 1 8.78 0.02 . 1 . . . . . . . . 5388 1 838 . 1 1 71 71 ALA CA C 13 48.5 0.5 . 1 . . . . . . . . 5388 1 839 . 1 1 71 71 ALA HA H 1 5.03 0.02 . 1 . . . . . . . . 5388 1 840 . 1 1 71 71 ALA CB C 13 21.5 0.5 . 1 . . . . . . . . 5388 1 841 . 1 1 71 71 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 5388 1 842 . 1 1 71 71 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 5388 1 843 . 1 1 71 71 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 5388 1 844 . 1 1 72 72 PRO CA C 13 63.6 0.5 . 1 . . . . . . . . 5388 1 845 . 1 1 72 72 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 5388 1 846 . 1 1 72 72 PRO CB C 13 33.7 0.5 . 1 . . . . . . . . 5388 1 847 . 1 1 72 72 PRO HB3 H 1 2.44 0.02 . 2 . . . . . . . . 5388 1 848 . 1 1 72 72 PRO HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5388 1 849 . 1 1 72 72 PRO CG C 13 28.9 0.5 . 1 . . . . . . . . 5388 1 850 . 1 1 72 72 PRO HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5388 1 851 . 1 1 72 72 PRO HG2 H 1 2.02 0.02 . 2 . . . . . . . . 5388 1 852 . 1 1 72 72 PRO CD C 13 51.8 0.5 . 1 . . . . . . . . 5388 1 853 . 1 1 72 72 PRO HD3 H 1 3.76 0.02 . 2 . . . . . . . . 5388 1 854 . 1 1 72 72 PRO HD2 H 1 3.98 0.02 . 2 . . . . . . . . 5388 1 855 . 1 1 72 72 PRO C C 13 175.6 0.5 . 1 . . . . . . . . 5388 1 856 . 1 1 73 73 MET N N 15 122.9 0.4 . 1 . . . . . . . . 5388 1 857 . 1 1 73 73 MET H H 1 8.59 0.02 . 1 . . . . . . . . 5388 1 858 . 1 1 73 73 MET CA C 13 55.4 0.5 . 1 . . . . . . . . 5388 1 859 . 1 1 73 73 MET HA H 1 4.55 0.02 . 1 . . . . . . . . 5388 1 860 . 1 1 73 73 MET CB C 13 35.7 0.5 . 1 . . . . . . . . 5388 1 861 . 1 1 73 73 MET HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5388 1 862 . 1 1 73 73 MET HB2 H 1 1.78 0.02 . 2 . . . . . . . . 5388 1 863 . 1 1 73 73 MET CG C 13 31.9 0.5 . 1 . . . . . . . . 5388 1 864 . 1 1 73 73 MET HG3 H 1 2.37 0.02 . 2 . . . . . . . . 5388 1 865 . 1 1 73 73 MET HG2 H 1 2.26 0.02 . 2 . . . . . . . . 5388 1 866 . 1 1 73 73 MET CE C 13 17.5 0.5 . 1 . . . . . . . . 5388 1 867 . 1 1 73 73 MET HE1 H 1 1.80 0.02 . 1 . . . . . . . . 5388 1 868 . 1 1 73 73 MET HE2 H 1 1.80 0.02 . 1 . . . . . . . . 5388 1 869 . 1 1 73 73 MET HE3 H 1 1.80 0.02 . 1 . . . . . . . . 5388 1 870 . 1 1 73 73 MET C C 13 175.1 0.5 . 1 . . . . . . . . 5388 1 871 . 1 1 74 74 MET N N 15 122.5 0.4 . 1 . . . . . . . . 5388 1 872 . 1 1 74 74 MET H H 1 8.61 0.02 . 1 . . . . . . . . 5388 1 873 . 1 1 74 74 MET CA C 13 55.4 0.5 . 1 . . . . . . . . 5388 1 874 . 1 1 74 74 MET HA H 1 4.59 0.02 . 1 . . . . . . . . 5388 1 875 . 1 1 74 74 MET CB C 13 32.7 0.5 . 1 . . . . . . . . 5388 1 876 . 1 1 74 74 MET HB3 H 1 2.54 0.02 . 1 . . . . . . . . 5388 1 877 . 1 1 74 74 MET HB2 H 1 2.54 0.02 . 1 . . . . . . . . 5388 1 878 . 1 1 74 74 MET CG C 13 32.9 0.5 . 1 . . . . . . . . 5388 1 879 . 1 1 74 74 MET HG3 H 1 2.03 0.02 . 2 . . . . . . . . 5388 1 880 . 1 1 74 74 MET HG2 H 1 1.90 0.02 . 2 . . . . . . . . 5388 1 881 . 1 1 74 74 MET CE C 13 17.5 0.5 . 1 . . . . . . . . 5388 1 882 . 1 1 74 74 MET HE1 H 1 1.98 0.02 . 1 . . . . . . . . 5388 1 883 . 1 1 74 74 MET HE2 H 1 1.98 0.02 . 1 . . . . . . . . 5388 1 884 . 1 1 74 74 MET HE3 H 1 1.98 0.02 . 1 . . . . . . . . 5388 1 885 . 1 1 74 74 MET C C 13 175.0 0.5 . 1 . . . . . . . . 5388 1 886 . 1 1 75 75 ARG N N 15 127.0 0.4 . 1 . . . . . . . . 5388 1 887 . 1 1 75 75 ARG H H 1 7.85 0.02 . 1 . . . . . . . . 5388 1 888 . 1 1 75 75 ARG CA C 13 57.8 0.5 . 1 . . . . . . . . 5388 1 889 . 1 1 75 75 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 5388 1 890 . 1 1 75 75 ARG CB C 13 32.3 0.5 . 1 . . . . . . . . 5388 1 891 . 1 1 75 75 ARG HB3 H 1 1.59 0.02 . 2 . . . . . . . . 5388 1 892 . 1 1 75 75 ARG HB2 H 1 1.44 0.02 . 2 . . . . . . . . 5388 1 893 . 1 1 75 75 ARG CG C 13 27.6 0.5 . 1 . . . . . . . . 5388 1 894 . 1 1 75 75 ARG HG3 H 1 1.29 0.02 . 1 . . . . . . . . 5388 1 895 . 1 1 75 75 ARG HG2 H 1 1.29 0.02 . 1 . . . . . . . . 5388 1 896 . 1 1 75 75 ARG CD C 13 43.7 0.5 . 1 . . . . . . . . 5388 1 897 . 1 1 75 75 ARG HD3 H 1 2.65 0.02 . 1 . . . . . . . . 5388 1 898 . 1 1 75 75 ARG HD2 H 1 2.65 0.02 . 1 . . . . . . . . 5388 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5388 _Assigned_chem_shift_list.ID 2 _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 . . 2 $sample_2 . 5388 2 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 . 2 2 1 1 ALA HA H 1 3.010 0.02 . 1 . . . . . . . . 5388 2 2 . 2 2 1 1 ALA CB C 13 17.400 0.5 . 1 . . . . . . . . 5388 2 3 . 2 2 1 1 ALA HB1 H 1 0.920 0.02 . 1 . . . . . . . . 5388 2 4 . 2 2 1 1 ALA HB2 H 1 0.920 0.02 . 1 . . . . . . . . 5388 2 5 . 2 2 1 1 ALA HB3 H 1 0.920 0.02 . 1 . . . . . . . . 5388 2 6 . 2 2 2 2 PRO CA C 13 62.100 0.5 . 1 . . . . . . . . 5388 2 7 . 2 2 2 2 PRO HA H 1 4.220 0.02 . 1 . . . . . . . . 5388 2 8 . 2 2 2 2 PRO CB C 13 31.400 0.5 . 1 . . . . . . . . 5388 2 9 . 2 2 2 2 PRO HB3 H 1 1.580 0.02 . 2 . . . . . . . . 5388 2 10 . 2 2 2 2 PRO HB2 H 1 2.180 0.02 . 2 . . . . . . . . 5388 2 11 . 2 2 2 2 PRO CG C 13 26.400 0.5 . 1 . . . . . . . . 5388 2 12 . 2 2 2 2 PRO HG3 H 1 1.470 0.02 . 2 . . . . . . . . 5388 2 13 . 2 2 2 2 PRO HG2 H 1 1.360 0.02 . 2 . . . . . . . . 5388 2 14 . 2 2 2 2 PRO CD C 13 49.500 0.5 . 1 . . . . . . . . 5388 2 15 . 2 2 2 2 PRO HD3 H 1 1.780 0.02 . 2 . . . . . . . . 5388 2 16 . 2 2 2 2 PRO HD2 H 1 2.060 0.02 . 2 . . . . . . . . 5388 2 17 . 2 2 2 2 PRO C C 13 176.300 0.5 . 1 . . . . . . . . 5388 2 18 . 2 2 3 3 SER N N 15 118.900 0.4 . 1 . . . . . . . . 5388 2 19 . 2 2 3 3 SER H H 1 8.630 0.02 . 1 . . . . . . . . 5388 2 20 . 2 2 3 3 SER CA C 13 58.900 0.5 . 1 . . . . . . . . 5388 2 21 . 2 2 3 3 SER HA H 1 4.170 0.02 . 1 . . . . . . . . 5388 2 22 . 2 2 3 3 SER CB C 13 63.000 0.5 . 1 . . . . . . . . 5388 2 23 . 2 2 3 3 SER HB3 H 1 3.730 0.02 . 1 . . . . . . . . 5388 2 24 . 2 2 3 3 SER HB2 H 1 3.730 0.02 . 1 . . . . . . . . 5388 2 25 . 2 2 3 3 SER C C 13 173.800 0.5 . 1 . . . . . . . . 5388 2 26 . 2 2 4 4 ILE N N 15 124.100 0.4 . 1 . . . . . . . . 5388 2 27 . 2 2 4 4 ILE H H 1 8.640 0.02 . 1 . . . . . . . . 5388 2 28 . 2 2 4 4 ILE CA C 13 60.800 0.5 . 1 . . . . . . . . 5388 2 29 . 2 2 4 4 ILE HA H 1 3.890 0.02 . 1 . . . . . . . . 5388 2 30 . 2 2 4 4 ILE CB C 13 40.200 0.5 . 1 . . . . . . . . 5388 2 31 . 2 2 4 4 ILE HB H 1 1.620 0.02 . 1 . . . . . . . . 5388 2 32 . 2 2 4 4 ILE CG1 C 13 27.100 0.5 . 1 . . . . . . . . 5388 2 33 . 2 2 4 4 ILE HG13 H 1 0.520 0.02 . 2 . . . . . . . . 5388 2 34 . 2 2 4 4 ILE HG12 H 1 1.640 0.02 . 2 . . . . . . . . 5388 2 35 . 2 2 4 4 ILE CD1 C 13 13.900 0.5 . 1 . . . . . . . . 5388 2 36 . 2 2 4 4 ILE HD11 H 1 0.820 0.02 . 1 . . . . . . . . 5388 2 37 . 2 2 4 4 ILE HD12 H 1 0.820 0.02 . 1 . . . . . . . . 5388 2 38 . 2 2 4 4 ILE HD13 H 1 0.820 0.02 . 1 . . . . . . . . 5388 2 39 . 2 2 4 4 ILE CG2 C 13 18.600 0.5 . 1 . . . . . . . . 5388 2 40 . 2 2 4 4 ILE HG21 H 1 0.840 0.02 . 1 . . . . . . . . 5388 2 41 . 2 2 4 4 ILE HG22 H 1 0.840 0.02 . 1 . . . . . . . . 5388 2 42 . 2 2 4 4 ILE HG23 H 1 0.840 0.02 . 1 . . . . . . . . 5388 2 43 . 2 2 4 4 ILE C C 13 174.800 0.5 . 1 . . . . . . . . 5388 2 44 . 2 2 5 5 ASP N N 15 127.600 0.4 . 1 . . . . . . . . 5388 2 45 . 2 2 5 5 ASP H H 1 8.990 0.02 . 1 . . . . . . . . 5388 2 46 . 2 2 5 5 ASP CA C 13 51.800 0.5 . 1 . . . . . . . . 5388 2 47 . 2 2 5 5 ASP HA H 1 4.940 0.02 . 1 . . . . . . . . 5388 2 48 . 2 2 5 5 ASP CB C 13 40.800 0.5 . 1 . . . . . . . . 5388 2 49 . 2 2 5 5 ASP HB3 H 1 3.010 0.02 . 2 . . . . . . . . 5388 2 50 . 2 2 5 5 ASP HB2 H 1 2.410 0.02 . 2 . . . . . . . . 5388 2 51 . 2 2 5 5 ASP C C 13 176.500 0.5 . 1 . . . . . . . . 5388 2 52 . 2 2 6 6 ARG N N 15 123.400 0.4 . 1 . . . . . . . . 5388 2 53 . 2 2 6 6 ARG H H 1 9.230 0.02 . 1 . . . . . . . . 5388 2 54 . 2 2 6 6 ARG CA C 13 58.300 0.5 . 1 . . . . . . . . 5388 2 55 . 2 2 6 6 ARG HA H 1 3.930 0.02 . 1 . . . . . . . . 5388 2 56 . 2 2 6 6 ARG CB C 13 28.900 0.5 . 1 . . . . . . . . 5388 2 57 . 2 2 6 6 ARG HB3 H 1 1.730 0.02 . 2 . . . . . . . . 5388 2 58 . 2 2 6 6 ARG HB2 H 1 1.540 0.02 . 2 . . . . . . . . 5388 2 59 . 2 2 6 6 ARG CG C 13 31.800 0.5 . 1 . . . . . . . . 5388 2 60 . 2 2 6 6 ARG HG3 H 1 2.020 0.02 . 2 . . . . . . . . 5388 2 61 . 2 2 6 6 ARG HG2 H 1 1.220 0.02 . 2 . . . . . . . . 5388 2 62 . 2 2 6 6 ARG CD C 13 41.800 0.5 . 1 . . . . . . . . 5388 2 63 . 2 2 6 6 ARG HD3 H 1 3.210 0.02 . 2 . . . . . . . . 5388 2 64 . 2 2 6 6 ARG HD2 H 1 2.830 0.02 . 2 . . . . . . . . 5388 2 65 . 2 2 6 6 ARG NE N 15 113.000 0.4 . 1 . . . . . . . . 5388 2 66 . 2 2 6 6 ARG HE H 1 10.560 0.02 . 1 . . . . . . . . 5388 2 67 . 2 2 6 6 ARG C C 13 177.400 0.5 . 1 . . . . . . . . 5388 2 68 . 2 2 7 7 SER N N 15 118.000 0.4 . 1 . . . . . . . . 5388 2 69 . 2 2 7 7 SER H H 1 8.820 0.02 . 1 . . . . . . . . 5388 2 70 . 2 2 7 7 SER CA C 13 61.100 0.5 . 1 . . . . . . . . 5388 2 71 . 2 2 7 7 SER HA H 1 4.150 0.02 . 1 . . . . . . . . 5388 2 72 . 2 2 7 7 SER CB C 13 62.400 0.5 . 1 . . . . . . . . 5388 2 73 . 2 2 7 7 SER HB3 H 1 3.870 0.02 . 1 . . . . . . . . 5388 2 74 . 2 2 7 7 SER HB2 H 1 3.870 0.02 . 1 . . . . . . . . 5388 2 75 . 2 2 7 7 SER C C 13 175.200 0.5 . 1 . . . . . . . . 5388 2 76 . 2 2 8 8 THR N N 15 109.000 0.4 . 1 . . . . . . . . 5388 2 77 . 2 2 8 8 THR H H 1 7.030 0.02 . 1 . . . . . . . . 5388 2 78 . 2 2 8 8 THR CA C 13 60.500 0.5 . 1 . . . . . . . . 5388 2 79 . 2 2 8 8 THR HA H 1 4.220 0.02 . 1 . . . . . . . . 5388 2 80 . 2 2 8 8 THR CB C 13 69.100 0.5 . 1 . . . . . . . . 5388 2 81 . 2 2 8 8 THR HB H 1 4.610 0.02 . 1 . . . . . . . . 5388 2 82 . 2 2 8 8 THR CG2 C 13 21.800 0.5 . 1 . . . . . . . . 5388 2 83 . 2 2 8 8 THR HG21 H 1 1.060 0.02 . 1 . . . . . . . . 5388 2 84 . 2 2 8 8 THR HG22 H 1 1.060 0.02 . 1 . . . . . . . . 5388 2 85 . 2 2 8 8 THR HG23 H 1 1.060 0.02 . 1 . . . . . . . . 5388 2 86 . 2 2 8 8 THR C C 13 174.700 0.5 . 1 . . . . . . . . 5388 2 87 . 2 2 9 9 LYS N N 15 122.700 0.4 . 1 . . . . . . . . 5388 2 88 . 2 2 9 9 LYS H H 1 6.560 0.02 . 1 . . . . . . . . 5388 2 89 . 2 2 9 9 LYS CA C 13 55.500 0.5 . 1 . . . . . . . . 5388 2 90 . 2 2 9 9 LYS HA H 1 3.290 0.02 . 1 . . . . . . . . 5388 2 91 . 2 2 9 9 LYS CB C 13 30.500 0.5 . 1 . . . . . . . . 5388 2 92 . 2 2 9 9 LYS HB3 H 1 1.110 0.02 . 2 . . . . . . . . 5388 2 93 . 2 2 9 9 LYS HB2 H 1 0.700 0.02 . 2 . . . . . . . . 5388 2 94 . 2 2 9 9 LYS CG C 13 24.600 0.5 . 1 . . . . . . . . 5388 2 95 . 2 2 9 9 LYS HG3 H 1 -0.120 0.02 . 2 . . . . . . . . 5388 2 96 . 2 2 9 9 LYS HG2 H 1 -0.820 0.02 . 2 . . . . . . . . 5388 2 97 . 2 2 9 9 LYS CD C 13 28.900 0.5 . 1 . . . . . . . . 5388 2 98 . 2 2 9 9 LYS HD3 H 1 0.590 0.02 . 2 . . . . . . . . 5388 2 99 . 2 2 9 9 LYS HD2 H 1 0.800 0.02 . 2 . . . . . . . . 5388 2 100 . 2 2 9 9 LYS CE C 13 40.200 0.5 . 1 . . . . . . . . 5388 2 101 . 2 2 9 9 LYS HE3 H 1 1.610 0.02 . 2 . . . . . . . . 5388 2 102 . 2 2 9 9 LYS HE2 H 1 2.140 0.02 . 2 . . . . . . . . 5388 2 103 . 2 2 10 10 PRO CA C 13 62.700 0.5 . 1 . . . . . . . . 5388 2 104 . 2 2 10 10 PRO HA H 1 4.180 0.02 . 1 . . . . . . . . 5388 2 105 . 2 2 10 10 PRO CB C 13 31.400 0.5 . 1 . . . . . . . . 5388 2 106 . 2 2 10 10 PRO HB3 H 1 1.830 0.02 . 2 . . . . . . . . 5388 2 107 . 2 2 10 10 PRO HB2 H 1 2.060 0.02 . 2 . . . . . . . . 5388 2 108 . 2 2 10 10 PRO CG C 13 27.100 0.5 . 1 . . . . . . . . 5388 2 109 . 2 2 10 10 PRO HG3 H 1 1.830 0.02 . 2 . . . . . . . . 5388 2 110 . 2 2 10 10 PRO HG2 H 1 1.910 0.02 . 2 . . . . . . . . 5388 2 111 . 2 2 10 10 PRO CD C 13 50.500 0.5 . 1 . . . . . . . . 5388 2 112 . 2 2 10 10 PRO HD3 H 1 3.110 0.02 . 2 . . . . . . . . 5388 2 113 . 2 2 10 10 PRO HD2 H 1 3.500 0.02 . 2 . . . . . . . . 5388 2 114 . 2 2 10 10 PRO C C 13 174.900 0.5 . 1 . . . . . . . . 5388 2 115 . 2 2 11 11 ALA N N 15 130.600 0.4 . 1 . . . . . . . . 5388 2 116 . 2 2 11 11 ALA H H 1 7.830 0.02 . 1 . . . . . . . . 5388 2 117 . 2 2 11 11 ALA CA C 13 53.000 0.5 . 1 . . . . . . . . 5388 2 118 . 2 2 11 11 ALA HA H 1 3.940 0.02 . 1 . . . . . . . . 5388 2 119 . 2 2 11 11 ALA CB C 13 20.200 0.5 . 1 . . . . . . . . 5388 2 120 . 2 2 11 11 ALA HB1 H 1 1.120 0.02 . 1 . . . . . . . . 5388 2 121 . 2 2 11 11 ALA HB2 H 1 1.120 0.02 . 1 . . . . . . . . 5388 2 122 . 2 2 11 11 ALA HB3 H 1 1.120 0.02 . 1 . . . . . . . . 5388 2 stop_ save_