data_6197 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6197 _Entry.Title ; 1H, 15N and 13C assigned chemical shifts for the Myosin type I SH3 domain (Myo3) from saccharomyces cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-29 _Entry.Accession_date 2004-04-29 _Entry.Last_release_date 2004-11-08 _Entry.Original_release_date 2004-11-08 _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 Valeria Musi . . . 6197 2 Berry Birdsall . . . 6197 3 Annalisa Pastore . . . 6197 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6197 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 459 6197 '13C chemical shifts' 286 6197 '15N chemical shifts' 59 6197 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-11-08 2004-04-29 original author . 6197 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6197 _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 '1H, 15N and 13C assigned chemical shifts for the Myosin type I SH3 domain (Myo3) from saccharomyces cerevisiae' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details 'This data will only be published in BMRB.' 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 Valeria Musi . . . 6197 1 2 Berry Birdsall . . . 6197 1 3 Annalisa Pastore . . . 6197 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SH3 6197 1 mys3 6197 1 yeast 6197 1 'myosin type I' 6197 1 NMR 6197 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SH3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SH3 _Assembly.Entry_ID 6197 _Assembly.ID 1 _Assembly.Name 'Src homology-3 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 6197 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 'SH3 domain 1' 1 $SH3 . . . native . . . . . 6197 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Src homology-3 domain' system 6197 1 SH3 abbreviation 6197 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'signal transduction' 6197 1 'cytoskeletal organisation' 6197 1 'binding to specific prolin-rich sequence motifs' 6197 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SH3 _Entity.Sf_category entity _Entity.Sf_framecode SH3 _Entity.Entry_ID 6197 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Src Homology-3 domain' _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 ; GKDPKFEAAYDFPGSGSSSE LPLKKGDIVFISRDEPSGWS LAKLLDGSKEGWVPTAYMTP YKDTRNTVPV ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7636.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Corresponds to residues 1122-1190 of MYS3_YEAST myosin-3 isoform (type I myosin) protein ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1RUW . "Crystal Structure Of The Sh3 Domain From S. Cerevisiae Myo3" . . . . . 98.57 69 100.00 100.00 5.74e-41 . . . . 6197 1 2 no PDB 1VA7 . "Yeast Myo3 Sh3 Domain, Triclinic Crystal Form" . . . . . 100.00 70 100.00 100.00 1.17e-41 . . . . 6197 1 3 no PDB 2BTT . "Nmr Structure Of Myo3-Sh3 Domain From Myosin-Type I From S. Cerevisiae" . . . . . 97.14 69 100.00 100.00 2.78e-40 . . . . 6197 1 4 no DBJ GAA24601 . "K7_Myo3p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 98.57 1270 100.00 100.00 1.71e-38 . . . . 6197 1 5 no EMBL CAA81970 . "MYO3 [Saccharomyces cerevisiae]" . . . . . 98.57 1271 100.00 100.00 1.69e-38 . . . . 6197 1 6 no EMBL CAY80962 . "Myo3p [Saccharomyces cerevisiae EC1118]" . . . . . 98.57 1270 100.00 100.00 1.81e-38 . . . . 6197 1 7 no GB AAB34124 . "myosin I homolog/MYO3 gene product [Saccharomyces cerevisiae]" . . . . . 98.57 1273 100.00 100.00 1.52e-38 . . . . 6197 1 8 no GB AHY76119 . "Myo3p [Saccharomyces cerevisiae YJM993]" . . . . . 98.57 1270 100.00 100.00 1.79e-38 . . . . 6197 1 9 no GB EDN60039 . "myosin I [Saccharomyces cerevisiae YJM789]" . . . . . 98.57 1270 100.00 100.00 1.71e-38 . . . . 6197 1 10 no GB EDV12973 . "myosin I [Saccharomyces cerevisiae RM11-1a]" . . . . . 98.57 1270 100.00 100.00 1.79e-38 . . . . 6197 1 11 no GB EDZ71016 . "YKL129Cp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 98.57 156 100.00 100.00 1.62e-41 . . . . 6197 1 12 no REF NP_012793 . "myosin 3 [Saccharomyces cerevisiae S288c]" . . . . . 98.57 1272 100.00 100.00 1.66e-38 . . . . 6197 1 13 no SP A6ZZJ1 . "RecName: Full=Myosin-3; AltName: Full=Actin-dependent myosin-I MYO3; AltName: Full=Class I unconventional myosin MYO3; AltName:" . . . . . 98.57 1270 100.00 100.00 1.71e-38 . . . . 6197 1 14 no SP P36006 . "RecName: Full=Myosin-3; AltName: Full=Actin-dependent myosin-I MYO3; AltName: Full=Class I unconventional myosin MYO3; AltName:" . . . . . 98.57 1272 100.00 100.00 1.66e-38 . . . . 6197 1 15 no TPG DAA09032 . "TPA: myosin 3 [Saccharomyces cerevisiae S288c]" . . . . . 98.57 1272 100.00 100.00 1.66e-38 . . . . 6197 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Src Homology-3 domain' common 6197 1 SH3 abbreviation 6197 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 6197 1 2 2 LYS . 6197 1 3 3 ASP . 6197 1 4 4 PRO . 6197 1 5 5 LYS . 6197 1 6 6 PHE . 6197 1 7 7 GLU . 6197 1 8 8 ALA . 6197 1 9 9 ALA . 6197 1 10 10 TYR . 6197 1 11 11 ASP . 6197 1 12 12 PHE . 6197 1 13 13 PRO . 6197 1 14 14 GLY . 6197 1 15 15 SER . 6197 1 16 16 GLY . 6197 1 17 17 SER . 6197 1 18 18 SER . 6197 1 19 19 SER . 6197 1 20 20 GLU . 6197 1 21 21 LEU . 6197 1 22 22 PRO . 6197 1 23 23 LEU . 6197 1 24 24 LYS . 6197 1 25 25 LYS . 6197 1 26 26 GLY . 6197 1 27 27 ASP . 6197 1 28 28 ILE . 6197 1 29 29 VAL . 6197 1 30 30 PHE . 6197 1 31 31 ILE . 6197 1 32 32 SER . 6197 1 33 33 ARG . 6197 1 34 34 ASP . 6197 1 35 35 GLU . 6197 1 36 36 PRO . 6197 1 37 37 SER . 6197 1 38 38 GLY . 6197 1 39 39 TRP . 6197 1 40 40 SER . 6197 1 41 41 LEU . 6197 1 42 42 ALA . 6197 1 43 43 LYS . 6197 1 44 44 LEU . 6197 1 45 45 LEU . 6197 1 46 46 ASP . 6197 1 47 47 GLY . 6197 1 48 48 SER . 6197 1 49 49 LYS . 6197 1 50 50 GLU . 6197 1 51 51 GLY . 6197 1 52 52 TRP . 6197 1 53 53 VAL . 6197 1 54 54 PRO . 6197 1 55 55 THR . 6197 1 56 56 ALA . 6197 1 57 57 TYR . 6197 1 58 58 MET . 6197 1 59 59 THR . 6197 1 60 60 PRO . 6197 1 61 61 TYR . 6197 1 62 62 LYS . 6197 1 63 63 ASP . 6197 1 64 64 THR . 6197 1 65 65 ARG . 6197 1 66 66 ASN . 6197 1 67 67 THR . 6197 1 68 68 VAL . 6197 1 69 69 PRO . 6197 1 70 70 VAL . 6197 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 6197 1 . LYS 2 2 6197 1 . ASP 3 3 6197 1 . PRO 4 4 6197 1 . LYS 5 5 6197 1 . PHE 6 6 6197 1 . GLU 7 7 6197 1 . ALA 8 8 6197 1 . ALA 9 9 6197 1 . TYR 10 10 6197 1 . ASP 11 11 6197 1 . PHE 12 12 6197 1 . PRO 13 13 6197 1 . GLY 14 14 6197 1 . SER 15 15 6197 1 . GLY 16 16 6197 1 . SER 17 17 6197 1 . SER 18 18 6197 1 . SER 19 19 6197 1 . GLU 20 20 6197 1 . LEU 21 21 6197 1 . PRO 22 22 6197 1 . LEU 23 23 6197 1 . LYS 24 24 6197 1 . LYS 25 25 6197 1 . GLY 26 26 6197 1 . ASP 27 27 6197 1 . ILE 28 28 6197 1 . VAL 29 29 6197 1 . PHE 30 30 6197 1 . ILE 31 31 6197 1 . SER 32 32 6197 1 . ARG 33 33 6197 1 . ASP 34 34 6197 1 . GLU 35 35 6197 1 . PRO 36 36 6197 1 . SER 37 37 6197 1 . GLY 38 38 6197 1 . TRP 39 39 6197 1 . SER 40 40 6197 1 . LEU 41 41 6197 1 . ALA 42 42 6197 1 . LYS 43 43 6197 1 . LEU 44 44 6197 1 . LEU 45 45 6197 1 . ASP 46 46 6197 1 . GLY 47 47 6197 1 . SER 48 48 6197 1 . LYS 49 49 6197 1 . GLU 50 50 6197 1 . GLY 51 51 6197 1 . TRP 52 52 6197 1 . VAL 53 53 6197 1 . PRO 54 54 6197 1 . THR 55 55 6197 1 . ALA 56 56 6197 1 . TYR 57 57 6197 1 . MET 58 58 6197 1 . THR 59 59 6197 1 . PRO 60 60 6197 1 . TYR 61 61 6197 1 . LYS 62 62 6197 1 . ASP 63 63 6197 1 . THR 64 64 6197 1 . ARG 65 65 6197 1 . ASN 66 66 6197 1 . THR 67 67 6197 1 . VAL 68 68 6197 1 . PRO 69 69 6197 1 . VAL 70 70 6197 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6197 _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 $SH3 . 4932 . . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6197 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 6197 _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 $SH3 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . BL21(DE3)pLysS . . . . . . plasmid . . pDEST17 . . . ; The expression vector pDEST17 has a 6His-tag sequence fused to is N-terminus. A seven amino acid recognition site for the Tobacco Etch Virus (TEV) protease was introduced between the 6His-tag sequence and the heterologous polypeptide ; . . 6197 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6197 _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 'Src Homology-3 domain' '[U-95% 13C; U-90% 15N]' . . 1 $SH3 . . 0.6 . . mM . . . . 6197 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6197 _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 'Src Homology-3 domain' '[U-90% 15N]' . . 1 $SH3 . . 0.6 . . mM . . . . 6197 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6197 _Sample.ID 3 _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 'Src Homology-3 domain' . . . 1 $SH3 . . 0.6 . . mM . . . . 6197 3 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 6197 _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 6.9 0.1 pH 6197 1 temperature 298 1 K 6197 1 'ionic strength' 0.1 0.02 M 6197 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 6197 _Software.ID 1 _Software.Name NMRpipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing data' 6197 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6197 _Software.ID 2 _Software.Name Sparky _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6197 2 stop_ save_ save_Xeasy _Software.Sf_category software _Software.Sf_framecode Xeasy _Software.Entry_ID 6197 _Software.ID 3 _Software.Name Xeasy _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6197 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6197 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6197 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6197 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 6197 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6197 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 6197 1 2 NMR_spectrometer_2 Varian UNITY . 500 . . . 6197 1 3 NMR_spectrometer_3 Varian UNITY . 600 . . . 6197 1 4 NMR_spectrometer_4 Varian UNITY . 800 . . . 6197 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 6197 _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 NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6197 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6197 1 3 HNHA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6197 1 4 HNHB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6197 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6197 1 6 CBCANH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6197 1 7 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6197 1 8 'HCCH TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6197 1 9 '2D NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6197 1 10 '2D COSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6197 1 11 '2D TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6197 1 stop_ 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 6197 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6197 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6197 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6197 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 6197 _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 ; Several unassigned signals correspond to residues at the C-terminus of the peptide and they are not part of the SH3 domain structure. Some signals from residues in the flexible loops were also not observed. ; _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 . 6197 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 174.933 0.05 . 1 . . . . 1 . . . 6197 1 2 . 1 1 2 2 LYS CA C 13 56.019 0.05 . 1 . . . . 2 . . . 6197 1 3 . 1 1 2 2 LYS CB C 13 33.025 0.05 . 1 . . . . 2 . . . 6197 1 4 . 1 1 2 2 LYS CD C 13 28.935 0.05 . 1 . . . . 2 . . . 6197 1 5 . 1 1 2 2 LYS CE C 13 41.931 0.05 . 1 . . . . 2 . . . 6197 1 6 . 1 1 2 2 LYS CG C 13 24.538 0.05 . 1 . . . . 2 . . . 6197 1 7 . 1 1 2 2 LYS C C 13 175.961 0.05 . 1 . . . . 2 . . . 6197 1 8 . 1 1 2 2 LYS HA H 1 4.347 0.02 . 1 . . . . 2 . . . 6197 1 9 . 1 1 2 2 LYS HB2 H 1 1.745 0.02 . 2 . . . . 2 . . . 6197 1 10 . 1 1 2 2 LYS HB3 H 1 1.835 0.02 . 2 . . . . 2 . . . 6197 1 11 . 1 1 2 2 LYS HD2 H 1 1.673 0.02 . 1 . . . . 2 . . . 6197 1 12 . 1 1 2 2 LYS HD3 H 1 1.673 0.02 . 1 . . . . 2 . . . 6197 1 13 . 1 1 2 2 LYS HE2 H 1 2.994 0.02 . 1 . . . . 2 . . . 6197 1 14 . 1 1 2 2 LYS HE3 H 1 2.994 0.02 . 1 . . . . 2 . . . 6197 1 15 . 1 1 2 2 LYS H H 1 8.255 0.02 . 1 . . . . 2 . . . 6197 1 16 . 1 1 2 2 LYS HG2 H 1 1.414 0.02 . 1 . . . . 2 . . . 6197 1 17 . 1 1 2 2 LYS HG3 H 1 1.414 0.02 . 1 . . . . 2 . . . 6197 1 18 . 1 1 2 2 LYS N N 15 122.574 0.05 . 1 . . . . 2 . . . 6197 1 19 . 1 1 3 3 ASP CA C 13 52.788 0.05 . 1 . . . . 3 . . . 6197 1 20 . 1 1 3 3 ASP CB C 13 41.023 0.05 . 1 . . . . 3 . . . 6197 1 21 . 1 1 3 3 ASP HA H 1 4.948 0.02 . 1 . . . . 3 . . . 6197 1 22 . 1 1 3 3 ASP HB2 H 1 2.223 0.02 . 2 . . . . 3 . . . 6197 1 23 . 1 1 3 3 ASP HB3 H 1 2.748 0.02 . 2 . . . . 3 . . . 6197 1 24 . 1 1 3 3 ASP H H 1 8.09 0.02 . 1 . . . . 3 . . . 6197 1 25 . 1 1 3 3 ASP N N 15 123.35 0.05 . 1 . . . . 3 . . . 6197 1 26 . 1 1 4 4 PRO CA C 13 62.941 0.05 . 1 . . . . 4 . . . 6197 1 27 . 1 1 4 4 PRO CB C 13 32.348 0.05 . 1 . . . . 4 . . . 6197 1 28 . 1 1 4 4 PRO CD C 13 50.647 0.05 . 1 . . . . 4 . . . 6197 1 29 . 1 1 4 4 PRO CG C 13 27.771 0.05 . 1 . . . . 4 . . . 6197 1 30 . 1 1 4 4 PRO C C 13 175.834 0.05 . 1 . . . . 4 . . . 6197 1 31 . 1 1 4 4 PRO HA H 1 4.636 0.02 . 1 . . . . 4 . . . 6197 1 32 . 1 1 4 4 PRO HB2 H 1 2.188 0.02 . 2 . . . . 4 . . . 6197 1 33 . 1 1 4 4 PRO HB3 H 1 2.381 0.02 . 2 . . . . 4 . . . 6197 1 34 . 1 1 4 4 PRO HD2 H 1 4.181 0.02 . 2 . . . . 4 . . . 6197 1 35 . 1 1 4 4 PRO HD3 H 1 3.917 0.02 . 2 . . . . 4 . . . 6197 1 36 . 1 1 4 4 PRO HG2 H 1 2.243 0.02 . 2 . . . . 4 . . . 6197 1 37 . 1 1 4 4 PRO HG3 H 1 2.418 0.02 . 2 . . . . 4 . . . 6197 1 38 . 1 1 5 5 LYS CA C 13 55.255 0.05 . 1 . . . . 5 . . . 6197 1 39 . 1 1 5 5 LYS CB C 13 35.335 0.05 . 1 . . . . 5 . . . 6197 1 40 . 1 1 5 5 LYS CD C 13 29.913 0.05 . 1 . . . . 5 . . . 6197 1 41 . 1 1 5 5 LYS CE C 13 42.098 0.05 . 1 . . . . 5 . . . 6197 1 42 . 1 1 5 5 LYS CG C 13 26.336 0.05 . 1 . . . . 5 . . . 6197 1 43 . 1 1 5 5 LYS C C 13 176.597 0.05 . 1 . . . . 5 . . . 6197 1 44 . 1 1 5 5 LYS HA H 1 5.258 0.02 . 1 . . . . 5 . . . 6197 1 45 . 1 1 5 5 LYS HB2 H 1 1.769 0.02 . 2 . . . . 5 . . . 6197 1 46 . 1 1 5 5 LYS HB3 H 1 1.379 0.02 . 2 . . . . 5 . . . 6197 1 47 . 1 1 5 5 LYS HD2 H 1 1.474 0.02 . 2 . . . . 5 . . . 6197 1 48 . 1 1 5 5 LYS HD3 H 1 1.383 0.02 . 2 . . . . 5 . . . 6197 1 49 . 1 1 5 5 LYS HE2 H 1 2.667 0.02 . 2 . . . . 5 . . . 6197 1 50 . 1 1 5 5 LYS HE3 H 1 2.846 0.02 . 2 . . . . 5 . . . 6197 1 51 . 1 1 5 5 LYS HG2 H 1 1.606 0.02 . 2 . . . . 5 . . . 6197 1 52 . 1 1 5 5 LYS HG3 H 1 0.816 0.02 . 2 . . . . 5 . . . 6197 1 53 . 1 1 5 5 LYS H H 1 8.235 0.02 . 1 . . . . 5 . . . 6197 1 54 . 1 1 5 5 LYS N N 15 118.525 0.05 . 1 . . . . 5 . . . 6197 1 55 . 1 1 6 6 PHE CA C 13 56.746 0.05 . 1 . . . . 6 . . . 6197 1 56 . 1 1 6 6 PHE CB C 13 44.633 0.05 . 1 . . . . 6 . . . 6197 1 57 . 1 1 6 6 PHE C C 13 172.402 0.05 . 1 . . . . 6 . . . 6197 1 58 . 1 1 6 6 PHE HA H 1 4.988 0.02 . 1 . . . . 6 . . . 6197 1 59 . 1 1 6 6 PHE HB2 H 1 2.578 0.02 . 2 . . . . 6 . . . 6197 1 60 . 1 1 6 6 PHE HB3 H 1 2.746 0.02 . 2 . . . . 6 . . . 6197 1 61 . 1 1 6 6 PHE H H 1 9.553 0.02 . 1 . . . . 6 . . . 6197 1 62 . 1 1 6 6 PHE N N 15 122.142 0.05 . 1 . . . . 6 . . . 6197 1 63 . 1 1 6 6 PHE CD1 C 13 131.604 0 . 3 . . . . 6 . . . 6197 1 64 . 1 1 6 6 PHE CE2 C 13 132.117 0 . 3 . . . . 6 . . . 6197 1 65 . 1 1 6 6 PHE CZ C 13 131.647 0 . 1 . . . . 6 . . . 6197 1 66 . 1 1 6 6 PHE HD1 H 1 6.902 0.003 . 3 . . . . 6 . . . 6197 1 67 . 1 1 6 6 PHE HE1 H 1 7.277 0.003 . 3 . . . . 6 . . . 6197 1 68 . 1 1 6 6 PHE HZ H 1 7.346 0.007 . 1 . . . . 6 . . . 6197 1 69 . 1 1 7 7 GLU CA C 13 52.765 0.05 . 1 . . . . 7 . . . 6197 1 70 . 1 1 7 7 GLU CB C 13 34.61 0.05 . 1 . . . . 7 . . . 6197 1 71 . 1 1 7 7 GLU CG C 13 36.281 0.05 . 1 . . . . 7 . . . 6197 1 72 . 1 1 7 7 GLU C C 13 176.193 0.05 . 1 . . . . 7 . . . 6197 1 73 . 1 1 7 7 GLU HA H 1 5.47 0.02 . 1 . . . . 7 . . . 6197 1 74 . 1 1 7 7 GLU HB2 H 1 1.913 0.02 . 2 . . . . 7 . . . 6197 1 75 . 1 1 7 7 GLU HB3 H 1 1.812 0.02 . 2 . . . . 7 . . . 6197 1 76 . 1 1 7 7 GLU HG2 H 1 1.968 0.02 . 2 . . . . 7 . . . 6197 1 77 . 1 1 7 7 GLU HG3 H 1 1.979 0.02 . 2 . . . . 7 . . . 6197 1 78 . 1 1 7 7 GLU H H 1 9.761 0.02 . 1 . . . . 7 . . . 6197 1 79 . 1 1 7 7 GLU N N 15 120.27 0.05 . 1 . . . . 7 . . . 6197 1 80 . 1 1 8 8 ALA CA C 13 52.206 0.05 . 1 . . . . 8 . . . 6197 1 81 . 1 1 8 8 ALA CB C 13 18.401 0.05 . 1 . . . . 8 . . . 6197 1 82 . 1 1 8 8 ALA C C 13 178.252 0.05 . 1 . . . . 8 . . . 6197 1 83 . 1 1 8 8 ALA HA H 1 4.912 0.02 . 1 . . . . 8 . . . 6197 1 84 . 1 1 8 8 ALA HB1 H 1 1.601 0.02 . 1 . . . . 8 . . . 6197 1 85 . 1 1 8 8 ALA HB2 H 1 1.601 0.02 . 1 . . . . 8 . . . 6197 1 86 . 1 1 8 8 ALA HB3 H 1 1.601 0.02 . 1 . . . . 8 . . . 6197 1 87 . 1 1 8 8 ALA H H 1 8.969 0.02 . 1 . . . . 8 . . . 6197 1 88 . 1 1 8 8 ALA N N 15 127.194 0.05 . 1 . . . . 8 . . . 6197 1 89 . 1 1 9 9 ALA CA C 13 53.151 0.05 . 1 . . . . 9 . . . 6197 1 90 . 1 1 9 9 ALA CB C 13 19.125 0.05 . 1 . . . . 9 . . . 6197 1 91 . 1 1 9 9 ALA C C 13 175.021 0.05 . 1 . . . . 9 . . . 6197 1 92 . 1 1 9 9 ALA HA H 1 4.161 0.02 . 1 . . . . 9 . . . 6197 1 93 . 1 1 9 9 ALA HB1 H 1 1.119 0.02 . 1 . . . . 9 . . . 6197 1 94 . 1 1 9 9 ALA HB2 H 1 1.119 0.02 . 1 . . . . 9 . . . 6197 1 95 . 1 1 9 9 ALA HB3 H 1 1.119 0.02 . 1 . . . . 9 . . . 6197 1 96 . 1 1 9 9 ALA H H 1 9.879 0.02 . 1 . . . . 9 . . . 6197 1 97 . 1 1 9 9 ALA N N 15 131.178 0.05 . 1 . . . . 9 . . . 6197 1 98 . 1 1 10 10 TYR CA C 13 54.534 0.05 . 1 . . . . 10 . . . 6197 1 99 . 1 1 10 10 TYR CB C 13 42.411 0.05 . 1 . . . . 10 . . . 6197 1 100 . 1 1 10 10 TYR C C 13 173.754 0.05 . 1 . . . . 10 . . . 6197 1 101 . 1 1 10 10 TYR HA H 1 4.517 0.02 . 1 . . . . 10 . . . 6197 1 102 . 1 1 10 10 TYR HB2 H 1 1.771 0.02 . 1 . . . . 10 . . . 6197 1 103 . 1 1 10 10 TYR HB3 H 1 1.771 0.02 . 1 . . . . 10 . . . 6197 1 104 . 1 1 10 10 TYR H H 1 7.253 0.02 . 1 . . . . 10 . . . 6197 1 105 . 1 1 10 10 TYR N N 15 112.5 0.05 . 1 . . . . 10 . . . 6197 1 106 . 1 1 10 10 TYR CD1 C 13 133.581 0 . 3 . . . . 10 . . . 6197 1 107 . 1 1 10 10 TYR CE2 C 13 117.541 0 . 3 . . . . 10 . . . 6197 1 108 . 1 1 10 10 TYR HD1 H 1 6.762 0.003 . 3 . . . . 10 . . . 6197 1 109 . 1 1 10 10 TYR HE1 H 1 6.744 0.007 . 3 . . . . 10 . . . 6197 1 110 . 1 1 11 11 ASP CA C 13 55.671 0.05 . 1 . . . . 11 . . . 6197 1 111 . 1 1 11 11 ASP CB C 13 42.017 0.05 . 1 . . . . 11 . . . 6197 1 112 . 1 1 11 11 ASP C C 13 175.72 0.05 . 1 . . . . 11 . . . 6197 1 113 . 1 1 11 11 ASP HA H 1 4.483 0.02 . 1 . . . . 11 . . . 6197 1 114 . 1 1 11 11 ASP HB2 H 1 2.652 0.02 . 2 . . . . 11 . . . 6197 1 115 . 1 1 11 11 ASP HB3 H 1 2.727 0.02 . 2 . . . . 11 . . . 6197 1 116 . 1 1 11 11 ASP H H 1 8.364 0.02 . 1 . . . . 11 . . . 6197 1 117 . 1 1 11 11 ASP N N 15 117.166 0.05 . 1 . . . . 11 . . . 6197 1 118 . 1 1 12 12 PHE CA C 13 53.753 0.05 . 1 . . . . 12 . . . 6197 1 119 . 1 1 12 12 PHE CB C 13 41.493 0.05 . 1 . . . . 12 . . . 6197 1 120 . 1 1 12 12 PHE HA H 1 5.645 0.02 . 1 . . . . 12 . . . 6197 1 121 . 1 1 12 12 PHE HB2 H 1 3.124 0.02 . 2 . . . . 12 . . . 6197 1 122 . 1 1 12 12 PHE HB3 H 1 3.28 0.02 . 2 . . . . 12 . . . 6197 1 123 . 1 1 12 12 PHE HD1 H 1 7.753 0.02 . 1 . . . . 12 . . . 6197 1 124 . 1 1 12 12 PHE HD2 H 1 7.753 0.02 . 1 . . . . 12 . . . 6197 1 125 . 1 1 12 12 PHE H H 1 9.117 0.02 . 1 . . . . 12 . . . 6197 1 126 . 1 1 12 12 PHE N N 15 120.04 0.05 . 1 . . . . 12 . . . 6197 1 127 . 1 1 12 12 PHE CD1 C 13 132.953 0 . 3 . . . . 12 . . . 6197 1 128 . 1 1 12 12 PHE CE2 C 13 131.873 0 . 3 . . . . 12 . . . 6197 1 129 . 1 1 12 12 PHE CZ C 13 129.963 0 . 1 . . . . 12 . . . 6197 1 130 . 1 1 12 12 PHE HE1 H 1 7.651 0.003 . 3 . . . . 12 . . . 6197 1 131 . 1 1 12 12 PHE HZ H 1 7.66 0.02 . 1 . . . . 12 . . . 6197 1 132 . 1 1 13 13 PRO CA C 13 63.649 0.05 . 1 . . . . 13 . . . 6197 1 133 . 1 1 13 13 PRO CB C 13 32.281 0.05 . 1 . . . . 13 . . . 6197 1 134 . 1 1 13 13 PRO CD C 13 50.599 0.05 . 1 . . . . 13 . . . 6197 1 135 . 1 1 13 13 PRO CG C 13 26.9 0.05 . 1 . . . . 13 . . . 6197 1 136 . 1 1 13 13 PRO C C 13 177.984 0.05 . 1 . . . . 13 . . . 6197 1 137 . 1 1 13 13 PRO HA H 1 4.428 0.02 . 1 . . . . 13 . . . 6197 1 138 . 1 1 13 13 PRO HB2 H 1 2.283 0.02 . 2 . . . . 13 . . . 6197 1 139 . 1 1 13 13 PRO HB3 H 1 1.965 0.02 . 2 . . . . 13 . . . 6197 1 140 . 1 1 13 13 PRO HD2 H 1 3.997 0.02 . 2 . . . . 13 . . . 6197 1 141 . 1 1 13 13 PRO HD3 H 1 3.595 0.02 . 2 . . . . 13 . . . 6197 1 142 . 1 1 13 13 PRO HG2 H 1 2.123 0.02 . 1 . . . . 13 . . . 6197 1 143 . 1 1 13 13 PRO HG3 H 1 2.123 0.02 . 1 . . . . 13 . . . 6197 1 144 . 1 1 14 14 GLY CA C 13 45.166 0.05 . 1 . . . . 14 . . . 6197 1 145 . 1 1 14 14 GLY HA2 H 1 3.376 0.02 . 2 . . . . 14 . . . 6197 1 146 . 1 1 14 14 GLY HA3 H 1 3.664 0.02 . 2 . . . . 14 . . . 6197 1 147 . 1 1 14 14 GLY H H 1 6.299 0.02 . 1 . . . . 14 . . . 6197 1 148 . 1 1 14 14 GLY N N 15 103.307 0.05 . 1 . . . . 14 . . . 6197 1 149 . 1 1 15 15 SER CA C 13 58.083 0.05 . 1 . . . . 15 . . . 6197 1 150 . 1 1 15 15 SER CB C 13 65.373 0.05 . 1 . . . . 15 . . . 6197 1 151 . 1 1 15 15 SER C C 13 175.836 0.05 . 1 . . . . 15 . . . 6197 1 152 . 1 1 15 15 SER HA H 1 4.547 0.02 . 1 . . . . 15 . . . 6197 1 153 . 1 1 15 15 SER HB2 H 1 3.915 0.02 . 2 . . . . 15 . . . 6197 1 154 . 1 1 15 15 SER HB3 H 1 4.105 0.02 . 2 . . . . 15 . . . 6197 1 155 . 1 1 15 15 SER H H 1 10.017 0.02 . 1 . . . . 15 . . . 6197 1 156 . 1 1 15 15 SER N N 15 115.629 0.05 . 1 . . . . 15 . . . 6197 1 157 . 1 1 16 16 GLY CA C 13 45.548 0.05 . 1 . . . . 16 . . . 6197 1 158 . 1 1 16 16 GLY C C 13 174.571 0.05 . 1 . . . . 16 . . . 6197 1 159 . 1 1 16 16 GLY HA2 H 1 4.333 0.02 . 2 . . . . 16 . . . 6197 1 160 . 1 1 16 16 GLY HA3 H 1 3.695 0.02 . 2 . . . . 16 . . . 6197 1 161 . 1 1 16 16 GLY H H 1 8.838 0.02 . 1 . . . . 16 . . . 6197 1 162 . 1 1 16 16 GLY N N 15 113.094 0.05 . 1 . . . . 16 . . . 6197 1 163 . 1 1 17 17 SER CA C 13 57.278 0.05 . 1 . . . . 17 . . . 6197 1 164 . 1 1 17 17 SER CB C 13 63.74 0.05 . 1 . . . . 17 . . . 6197 1 165 . 1 1 17 17 SER C C 13 175.196 0.05 . 1 . . . . 17 . . . 6197 1 166 . 1 1 17 17 SER HA H 1 4.558 0.02 . 1 . . . . 17 . . . 6197 1 167 . 1 1 17 17 SER HB2 H 1 3.913 0.02 . 2 . . . . 17 . . . 6197 1 168 . 1 1 17 17 SER HB3 H 1 3.613 0.02 . 2 . . . . 17 . . . 6197 1 169 . 1 1 17 17 SER H H 1 7.35 0.02 . 1 . . . . 17 . . . 6197 1 170 . 1 1 17 17 SER N N 15 114.24 0.05 . 1 . . . . 17 . . . 6197 1 171 . 1 1 18 18 SER CA C 13 59.147 0.05 . 1 . . . . 18 . . . 6197 1 172 . 1 1 18 18 SER CB C 13 63.571 0.05 . 1 . . . . 18 . . . 6197 1 173 . 1 1 18 18 SER HA H 1 4.691 0.02 . 1 . . . . 18 . . . 6197 1 174 . 1 1 18 18 SER HB2 H 1 4.032 0.02 . 2 . . . . 18 . . . 6197 1 175 . 1 1 18 18 SER HB3 H 1 3.992 0.02 . 2 . . . . 18 . . . 6197 1 176 . 1 1 18 18 SER H H 1 8.109 0.02 . 1 . . . . 18 . . . 6197 1 177 . 1 1 18 18 SER N N 15 114.659 0.05 . 1 . . . . 18 . . . 6197 1 178 . 1 1 19 19 SER CA C 13 58.884 0.05 . 1 . . . . 19 . . . 6197 1 179 . 1 1 19 19 SER CB C 13 63.886 0.05 . 1 . . . . 19 . . . 6197 1 180 . 1 1 19 19 SER C C 13 174.647 0.05 . 1 . . . . 19 . . . 6197 1 181 . 1 1 19 19 SER HA H 1 4.388 0.02 . 1 . . . . 19 . . . 6197 1 182 . 1 1 19 19 SER HB2 H 1 3.866 0.02 . 2 . . . . 19 . . . 6197 1 183 . 1 1 19 19 SER HB3 H 1 3.909 0.02 . 2 . . . . 19 . . . 6197 1 184 . 1 1 20 20 GLU CA C 13 55.552 0.05 . 1 . . . . 20 . . . 6197 1 185 . 1 1 20 20 GLU CB C 13 32.065 0.05 . 1 . . . . 20 . . . 6197 1 186 . 1 1 20 20 GLU C C 13 175.678 0.05 . 1 . . . . 20 . . . 6197 1 187 . 1 1 20 20 GLU HA H 1 5.109 0.02 . 1 . . . . 20 . . . 6197 1 188 . 1 1 20 20 GLU HB2 H 1 2.253 0.02 . 2 . . . . 20 . . . 6197 1 189 . 1 1 20 20 GLU HB3 H 1 2.321 0.02 . 2 . . . . 20 . . . 6197 1 190 . 1 1 20 20 GLU HG2 H 1 2.463 0.02 . 2 . . . . 20 . . . 6197 1 191 . 1 1 20 20 GLU HG3 H 1 2.49 0.02 . 2 . . . . 20 . . . 6197 1 192 . 1 1 20 20 GLU H H 1 7.268 0.02 . 1 . . . . 20 . . . 6197 1 193 . 1 1 20 20 GLU N N 15 120.883 0.05 . 1 . . . . 20 . . . 6197 1 194 . 1 1 20 20 GLU CG C 13 36.66 0.05 . 1 . . . . 20 . . . 6197 1 195 . 1 1 21 21 LEU CA C 13 51.368 0.05 . 1 . . . . 21 . . . 6197 1 196 . 1 1 21 21 LEU CB C 13 44.034 0.05 . 1 . . . . 21 . . . 6197 1 197 . 1 1 21 21 LEU CD1 C 13 26.589 0.05 . 2 . . . . 21 . . . 6197 1 198 . 1 1 21 21 LEU CD2 C 13 24.234 0.05 . 2 . . . . 21 . . . 6197 1 199 . 1 1 21 21 LEU CG C 13 26.777 0.05 . 1 . . . . 21 . . . 6197 1 200 . 1 1 21 21 LEU HA H 1 4.931 0.02 . 1 . . . . 21 . . . 6197 1 201 . 1 1 21 21 LEU HB2 H 1 0.613 0.02 . 2 . . . . 21 . . . 6197 1 202 . 1 1 21 21 LEU HB3 H 1 1.903 0.02 . 2 . . . . 21 . . . 6197 1 203 . 1 1 21 21 LEU HD11 H 1 0.675 0.02 . 2 . . . . 21 . . . 6197 1 204 . 1 1 21 21 LEU HD12 H 1 0.675 0.02 . 2 . . . . 21 . . . 6197 1 205 . 1 1 21 21 LEU HD13 H 1 0.675 0.02 . 2 . . . . 21 . . . 6197 1 206 . 1 1 21 21 LEU HD21 H 1 0.711 0.02 . 2 . . . . 21 . . . 6197 1 207 . 1 1 21 21 LEU HD22 H 1 0.711 0.02 . 2 . . . . 21 . . . 6197 1 208 . 1 1 21 21 LEU HD23 H 1 0.711 0.02 . 2 . . . . 21 . . . 6197 1 209 . 1 1 21 21 LEU HG H 1 1.455 0.02 . 1 . . . . 21 . . . 6197 1 210 . 1 1 21 21 LEU H H 1 8.304 0.02 . 1 . . . . 21 . . . 6197 1 211 . 1 1 21 21 LEU N N 15 125.363 0.05 . 1 . . . . 21 . . . 6197 1 212 . 1 1 22 22 PRO CA C 13 63.09 0.05 . 1 . . . . 22 . . . 6197 1 213 . 1 1 22 22 PRO CB C 13 32.188 0.05 . 1 . . . . 22 . . . 6197 1 214 . 1 1 22 22 PRO CD C 13 50.406 0.05 . 1 . . . . 22 . . . 6197 1 215 . 1 1 22 22 PRO CG C 13 28.201 0.05 . 1 . . . . 22 . . . 6197 1 216 . 1 1 22 22 PRO C C 13 177.132 0.05 . 1 . . . . 22 . . . 6197 1 217 . 1 1 22 22 PRO HA H 1 4.591 0.02 . 1 . . . . 22 . . . 6197 1 218 . 1 1 22 22 PRO HB2 H 1 1.728 0.02 . 2 . . . . 22 . . . 6197 1 219 . 1 1 22 22 PRO HB3 H 1 2.183 0.02 . 2 . . . . 22 . . . 6197 1 220 . 1 1 22 22 PRO HD2 H 1 3.929 0.02 . 2 . . . . 22 . . . 6197 1 221 . 1 1 22 22 PRO HD3 H 1 3.575 0.02 . 2 . . . . 22 . . . 6197 1 222 . 1 1 22 22 PRO HG2 H 1 2.035 0.02 . 2 . . . . 22 . . . 6197 1 223 . 1 1 22 22 PRO HG3 H 1 2.178 0.02 . 2 . . . . 22 . . . 6197 1 224 . 1 1 23 23 LEU CA C 13 53.325 0.05 . 1 . . . . 23 . . . 6197 1 225 . 1 1 23 23 LEU CB C 13 48.157 0.05 . 1 . . . . 23 . . . 6197 1 226 . 1 1 23 23 LEU CD1 C 13 28.33 0.05 . 2 . . . . 23 . . . 6197 1 227 . 1 1 23 23 LEU CD2 C 13 23.197 0.05 . 2 . . . . 23 . . . 6197 1 228 . 1 1 23 23 LEU CG C 13 25.646 0.05 . 1 . . . . 23 . . . 6197 1 229 . 1 1 23 23 LEU C C 13 177.18 0.05 . 1 . . . . 23 . . . 6197 1 230 . 1 1 23 23 LEU HA H 1 4.929 0.02 . 1 . . . . 23 . . . 6197 1 231 . 1 1 23 23 LEU HB2 H 1 1.577 0.02 . 2 . . . . 23 . . . 6197 1 232 . 1 1 23 23 LEU HB3 H 1 1.799 0.02 . 2 . . . . 23 . . . 6197 1 233 . 1 1 23 23 LEU HD11 H 1 0.972 0.02 . 2 . . . . 23 . . . 6197 1 234 . 1 1 23 23 LEU HD12 H 1 0.972 0.02 . 2 . . . . 23 . . . 6197 1 235 . 1 1 23 23 LEU HD13 H 1 0.972 0.02 . 2 . . . . 23 . . . 6197 1 236 . 1 1 23 23 LEU HD21 H 1 0.938 0.02 . 2 . . . . 23 . . . 6197 1 237 . 1 1 23 23 LEU HD22 H 1 0.938 0.02 . 2 . . . . 23 . . . 6197 1 238 . 1 1 23 23 LEU HD23 H 1 0.938 0.02 . 2 . . . . 23 . . . 6197 1 239 . 1 1 23 23 LEU HG H 1 2.3 0.02 . 1 . . . . 23 . . . 6197 1 240 . 1 1 23 23 LEU H H 1 8.858 0.02 . 1 . . . . 23 . . . 6197 1 241 . 1 1 23 23 LEU N N 15 119.947 0.05 . 1 . . . . 23 . . . 6197 1 242 . 1 1 24 24 LYS CA C 13 53.712 0.05 . 1 . . . . 24 . . . 6197 1 243 . 1 1 24 24 LYS CB C 13 33.827 0.05 . 1 . . . . 24 . . . 6197 1 244 . 1 1 24 24 LYS CD C 13 28.284 0.05 . 1 . . . . 24 . . . 6197 1 245 . 1 1 24 24 LYS CE C 13 42.452 0.05 . 1 . . . . 24 . . . 6197 1 246 . 1 1 24 24 LYS CG C 13 24.523 0.05 . 1 . . . . 24 . . . 6197 1 247 . 1 1 24 24 LYS C C 13 175.584 0.05 . 1 . . . . 24 . . . 6197 1 248 . 1 1 24 24 LYS HA H 1 4.767 0.02 . 1 . . . . 24 . . . 6197 1 249 . 1 1 24 24 LYS HB2 H 1 1.735 0.02 . 2 . . . . 24 . . . 6197 1 250 . 1 1 24 24 LYS HB3 H 1 1.754 0.02 . 2 . . . . 24 . . . 6197 1 251 . 1 1 24 24 LYS HD2 H 1 1.718 0.02 . 2 . . . . 24 . . . 6197 1 252 . 1 1 24 24 LYS HD3 H 1 1.705 0.02 . 2 . . . . 24 . . . 6197 1 253 . 1 1 24 24 LYS HE2 H 1 3.044 0.02 . 1 . . . . 24 . . . 6197 1 254 . 1 1 24 24 LYS HE3 H 1 3.044 0.02 . 1 . . . . 24 . . . 6197 1 255 . 1 1 24 24 LYS HG2 H 1 1.464 0.02 . 2 . . . . 24 . . . 6197 1 256 . 1 1 24 24 LYS HG3 H 1 1.469 0.02 . 2 . . . . 24 . . . 6197 1 257 . 1 1 24 24 LYS H H 1 9.139 0.02 . 1 . . . . 24 . . . 6197 1 258 . 1 1 24 24 LYS N N 15 124.649 0.05 . 1 . . . . 24 . . . 6197 1 259 . 1 1 25 25 LYS CA C 13 58.967 0.05 . 1 . . . . 25 . . . 6197 1 260 . 1 1 25 25 LYS CB C 13 32.508 0.05 . 1 . . . . 25 . . . 6197 1 261 . 1 1 25 25 LYS CE C 13 41.881 0.05 . 1 . . . . 25 . . . 6197 1 262 . 1 1 25 25 LYS CG C 13 24.604 0.05 . 1 . . . . 25 . . . 6197 1 263 . 1 1 25 25 LYS C C 13 177.762 0.05 . 1 . . . . 25 . . . 6197 1 264 . 1 1 25 25 LYS HA H 1 3.446 0.02 . 1 . . . . 25 . . . 6197 1 265 . 1 1 25 25 LYS HB2 H 1 1.603 0.02 . 2 . . . . 25 . . . 6197 1 266 . 1 1 25 25 LYS HB3 H 1 1.486 0.02 . 2 . . . . 25 . . . 6197 1 267 . 1 1 25 25 LYS HD2 H 1 1.491 0.02 . 1 . . . . 25 . . . 6197 1 268 . 1 1 25 25 LYS HD3 H 1 1.491 0.02 . 1 . . . . 25 . . . 6197 1 269 . 1 1 25 25 LYS HE2 H 1 2.923 0.02 . 2 . . . . 25 . . . 6197 1 270 . 1 1 25 25 LYS HE3 H 1 2.91 0.02 . 2 . . . . 25 . . . 6197 1 271 . 1 1 25 25 LYS HG2 H 1 1.133 0.02 . 2 . . . . 25 . . . 6197 1 272 . 1 1 25 25 LYS HG3 H 1 1.071 0.02 . 2 . . . . 25 . . . 6197 1 273 . 1 1 25 25 LYS H H 1 8.998 0.02 . 1 . . . . 25 . . . 6197 1 274 . 1 1 25 25 LYS N N 15 122.138 0.05 . 1 . . . . 25 . . . 6197 1 275 . 1 1 25 25 LYS CD C 13 26.604 0.05 . 1 . . . . 25 . . . 6197 1 276 . 1 1 26 26 GLY CA C 13 44.605 0.05 . 1 . . . . 26 . . . 6197 1 277 . 1 1 26 26 GLY C C 13 174.722 0.05 . 1 . . . . 26 . . . 6197 1 278 . 1 1 26 26 GLY HA2 H 1 3.748 0.02 . 2 . . . . 26 . . . 6197 1 279 . 1 1 26 26 GLY HA3 H 1 4.476 0.02 . 2 . . . . 26 . . . 6197 1 280 . 1 1 26 26 GLY H H 1 9.376 0.02 . 1 . . . . 26 . . . 6197 1 281 . 1 1 26 26 GLY N N 15 116.596 0.05 . 1 . . . . 26 . . . 6197 1 282 . 1 1 27 27 ASP CA C 13 56.015 0.05 . 1 . . . . 27 . . . 6197 1 283 . 1 1 27 27 ASP CB C 13 41.873 0.05 . 1 . . . . 27 . . . 6197 1 284 . 1 1 27 27 ASP C C 13 174.854 0.05 . 1 . . . . 27 . . . 6197 1 285 . 1 1 27 27 ASP HA H 1 4.531 0.02 . 1 . . . . 27 . . . 6197 1 286 . 1 1 27 27 ASP HB2 H 1 2.466 0.02 . 2 . . . . 27 . . . 6197 1 287 . 1 1 27 27 ASP HB3 H 1 2.9 0.02 . 2 . . . . 27 . . . 6197 1 288 . 1 1 27 27 ASP H H 1 8.649 0.02 . 1 . . . . 27 . . . 6197 1 289 . 1 1 27 27 ASP N N 15 123.462 0.05 . 1 . . . . 27 . . . 6197 1 290 . 1 1 28 28 ILE CA C 13 59.43 0.05 . 1 . . . . 28 . . . 6197 1 291 . 1 1 28 28 ILE CB C 13 38.931 0.05 . 1 . . . . 28 . . . 6197 1 292 . 1 1 28 28 ILE CD1 C 13 13.468 0.05 . 1 . . . . 28 . . . 6197 1 293 . 1 1 28 28 ILE CG1 C 13 27.566 0.05 . 1 . . . . 28 . . . 6197 1 294 . 1 1 28 28 ILE CG2 C 13 18.669 0.05 . 1 . . . . 28 . . . 6197 1 295 . 1 1 28 28 ILE C C 13 175.338 0.05 . 1 . . . . 28 . . . 6197 1 296 . 1 1 28 28 ILE HA H 1 4.922 0.02 . 1 . . . . 28 . . . 6197 1 297 . 1 1 28 28 ILE HB H 1 1.459 0.02 . 1 . . . . 28 . . . 6197 1 298 . 1 1 28 28 ILE HD11 H 1 0.443 0.02 . 1 . . . . 28 . . . 6197 1 299 . 1 1 28 28 ILE HD12 H 1 0.443 0.02 . 1 . . . . 28 . . . 6197 1 300 . 1 1 28 28 ILE HD13 H 1 0.443 0.02 . 1 . . . . 28 . . . 6197 1 301 . 1 1 28 28 ILE HG12 H 1 1.526 0.02 . 2 . . . . 28 . . . 6197 1 302 . 1 1 28 28 ILE HG13 H 1 0.682 0.02 . 2 . . . . 28 . . . 6197 1 303 . 1 1 28 28 ILE HG21 H 1 0.406 0.02 . 1 . . . . 28 . . . 6197 1 304 . 1 1 28 28 ILE HG22 H 1 0.406 0.02 . 1 . . . . 28 . . . 6197 1 305 . 1 1 28 28 ILE HG23 H 1 0.406 0.02 . 1 . . . . 28 . . . 6197 1 306 . 1 1 28 28 ILE H H 1 7.964 0.02 . 1 . . . . 28 . . . 6197 1 307 . 1 1 28 28 ILE N N 15 120.939 0.05 . 1 . . . . 28 . . . 6197 1 308 . 1 1 29 29 VAL CA C 13 58.44 0.05 . 1 . . . . 29 . . . 6197 1 309 . 1 1 29 29 VAL CB C 13 36.134 0.05 . 1 . . . . 29 . . . 6197 1 310 . 1 1 29 29 VAL CG1 C 13 22.913 0.05 . 2 . . . . 29 . . . 6197 1 311 . 1 1 29 29 VAL CG2 C 13 19.275 0.05 . 2 . . . . 29 . . . 6197 1 312 . 1 1 29 29 VAL C C 13 175.354 0.05 . 1 . . . . 29 . . . 6197 1 313 . 1 1 29 29 VAL HA H 1 4.791 0.02 . 1 . . . . 29 . . . 6197 1 314 . 1 1 29 29 VAL HB H 1 2.24 0.02 . 1 . . . . 29 . . . 6197 1 315 . 1 1 29 29 VAL HG11 H 1 0.791 0.02 . 1 . . . . 29 . . . 6197 1 316 . 1 1 29 29 VAL HG12 H 1 0.791 0.02 . 1 . . . . 29 . . . 6197 1 317 . 1 1 29 29 VAL HG13 H 1 0.791 0.02 . 1 . . . . 29 . . . 6197 1 318 . 1 1 29 29 VAL HG21 H 1 0.61 0.02 . 1 . . . . 29 . . . 6197 1 319 . 1 1 29 29 VAL HG22 H 1 0.61 0.02 . 1 . . . . 29 . . . 6197 1 320 . 1 1 29 29 VAL HG23 H 1 0.61 0.02 . 1 . . . . 29 . . . 6197 1 321 . 1 1 29 29 VAL H H 1 8.945 0.02 . 1 . . . . 29 . . . 6197 1 322 . 1 1 29 29 VAL N N 15 116.745 0.05 . 1 . . . . 29 . . . 6197 1 323 . 1 1 30 30 PHE CA C 13 56.669 0.05 . 1 . . . . 30 . . . 6197 1 324 . 1 1 30 30 PHE CB C 13 41.767 0.05 . 1 . . . . 30 . . . 6197 1 325 . 1 1 30 30 PHE C C 13 177.29 0.05 . 1 . . . . 30 . . . 6197 1 326 . 1 1 30 30 PHE HA H 1 5.453 0.02 . 1 . . . . 30 . . . 6197 1 327 . 1 1 30 30 PHE HB2 H 1 3.099 0.02 . 2 . . . . 30 . . . 6197 1 328 . 1 1 30 30 PHE HB3 H 1 2.842 0.02 . 2 . . . . 30 . . . 6197 1 329 . 1 1 30 30 PHE H H 1 8.856 0.02 . 1 . . . . 30 . . . 6197 1 330 . 1 1 30 30 PHE N N 15 117.826 0.05 . 1 . . . . 30 . . . 6197 1 331 . 1 1 30 30 PHE CD2 C 13 132.298 0 . 3 . . . . 30 . . . 6197 1 332 . 1 1 30 30 PHE CE2 C 13 131.929 0 . 3 . . . . 30 . . . 6197 1 333 . 1 1 30 30 PHE CZ C 13 129.828 0 . 1 . . . . 30 . . . 6197 1 334 . 1 1 30 30 PHE HD1 H 1 7.172 0.004 . 3 . . . . 30 . . . 6197 1 335 . 1 1 30 30 PHE HE1 H 1 7.48 0.003 . 3 . . . . 30 . . . 6197 1 336 . 1 1 30 30 PHE HZ H 1 7.386 0.003 . 1 . . . . 30 . . . 6197 1 337 . 1 1 31 31 ILE CA C 13 59.702 0.05 . 1 . . . . 31 . . . 6197 1 338 . 1 1 31 31 ILE CB C 13 38.794 0.05 . 1 . . . . 31 . . . 6197 1 339 . 1 1 31 31 ILE CD1 C 13 11.275 0.05 . 1 . . . . 31 . . . 6197 1 340 . 1 1 31 31 ILE CG1 C 13 27.587 0.05 . 1 . . . . 31 . . . 6197 1 341 . 1 1 31 31 ILE CG2 C 13 17.522 0.05 . 1 . . . . 31 . . . 6197 1 342 . 1 1 31 31 ILE C C 13 176.056 0.05 . 1 . . . . 31 . . . 6197 1 343 . 1 1 31 31 ILE HA H 1 4.913 0.02 . 1 . . . . 31 . . . 6197 1 344 . 1 1 31 31 ILE HB H 1 1.612 0.02 . 1 . . . . 31 . . . 6197 1 345 . 1 1 31 31 ILE HD11 H 1 0.181 0.02 . 1 . . . . 31 . . . 6197 1 346 . 1 1 31 31 ILE HD12 H 1 0.181 0.02 . 1 . . . . 31 . . . 6197 1 347 . 1 1 31 31 ILE HD13 H 1 0.181 0.02 . 1 . . . . 31 . . . 6197 1 348 . 1 1 31 31 ILE HG12 H 1 0.983 0.02 . 1 . . . . 31 . . . 6197 1 349 . 1 1 31 31 ILE HG13 H 1 0.896 0.02 . 1 . . . . 31 . . . 6197 1 350 . 1 1 31 31 ILE HG21 H 1 0.596 0.02 . 1 . . . . 31 . . . 6197 1 351 . 1 1 31 31 ILE HG22 H 1 0.596 0.02 . 1 . . . . 31 . . . 6197 1 352 . 1 1 31 31 ILE HG23 H 1 0.596 0.02 . 1 . . . . 31 . . . 6197 1 353 . 1 1 31 31 ILE H H 1 8.448 0.02 . 1 . . . . 31 . . . 6197 1 354 . 1 1 31 31 ILE N N 15 119.768 0.05 . 1 . . . . 31 . . . 6197 1 355 . 1 1 32 32 SER CA C 13 59.074 0.05 . 1 . . . . 32 . . . 6197 1 356 . 1 1 32 32 SER CB C 13 64.464 0.05 . 1 . . . . 32 . . . 6197 1 357 . 1 1 32 32 SER C C 13 174.792 0.05 . 1 . . . . 32 . . . 6197 1 358 . 1 1 32 32 SER HA H 1 4.568 0.02 . 1 . . . . 32 . . . 6197 1 359 . 1 1 32 32 SER HB2 H 1 3.737 0.02 . 2 . . . . 32 . . . 6197 1 360 . 1 1 32 32 SER HB3 H 1 3.719 0.02 . 2 . . . . 32 . . . 6197 1 361 . 1 1 32 32 SER H H 1 8.672 0.02 . 1 . . . . 32 . . . 6197 1 362 . 1 1 32 32 SER N N 15 120.835 0.05 . 1 . . . . 32 . . . 6197 1 363 . 1 1 33 33 ARG CA C 13 55.879 0.05 . 1 . . . . 33 . . . 6197 1 364 . 1 1 33 33 ARG CB C 13 33.048 0.05 . 1 . . . . 33 . . . 6197 1 365 . 1 1 33 33 ARG CD C 13 44.316 0.05 . 1 . . . . 33 . . . 6197 1 366 . 1 1 33 33 ARG CG C 13 26.803 0.05 . 1 . . . . 33 . . . 6197 1 367 . 1 1 33 33 ARG C C 13 172.852 0.05 . 1 . . . . 33 . . . 6197 1 368 . 1 1 33 33 ARG HA H 1 4.64 0.02 . 1 . . . . 33 . . . 6197 1 369 . 1 1 33 33 ARG HB2 H 1 1.998 0.02 . 2 . . . . 33 . . . 6197 1 370 . 1 1 33 33 ARG HB3 H 1 1.853 0.02 . 2 . . . . 33 . . . 6197 1 371 . 1 1 33 33 ARG HD2 H 1 3.289 0.02 . 2 . . . . 33 . . . 6197 1 372 . 1 1 33 33 ARG HD3 H 1 3.22 0.02 . 2 . . . . 33 . . . 6197 1 373 . 1 1 33 33 ARG HG2 H 1 1.585 0.02 . 2 . . . . 33 . . . 6197 1 374 . 1 1 33 33 ARG HG3 H 1 1.5 0.02 . 2 . . . . 33 . . . 6197 1 375 . 1 1 33 33 ARG H H 1 7.093 0.02 . 1 . . . . 33 . . . 6197 1 376 . 1 1 33 33 ARG N N 15 117.7 0.05 . 1 . . . . 33 . . . 6197 1 377 . 1 1 34 34 ASP CA C 13 53.591 0.05 . 1 . . . . 34 . . . 6197 1 378 . 1 1 34 34 ASP CB C 13 43.74 0.05 . 1 . . . . 34 . . . 6197 1 379 . 1 1 34 34 ASP C C 13 175.278 0.05 . 1 . . . . 34 . . . 6197 1 380 . 1 1 34 34 ASP HA H 1 5.278 0.02 . 1 . . . . 34 . . . 6197 1 381 . 1 1 34 34 ASP HB2 H 1 2.756 0.02 . 2 . . . . 34 . . . 6197 1 382 . 1 1 34 34 ASP HB3 H 1 2.53 0.02 . 2 . . . . 34 . . . 6197 1 383 . 1 1 34 34 ASP H H 1 8.638 0.02 . 1 . . . . 34 . . . 6197 1 384 . 1 1 34 34 ASP N N 15 121.837 0.05 . 1 . . . . 34 . . . 6197 1 385 . 1 1 35 35 GLU CA C 13 53.847 0.05 . 1 . . . . 35 . . . 6197 1 386 . 1 1 35 35 GLU CB C 13 31.396 0.05 . 1 . . . . 35 . . . 6197 1 387 . 1 1 35 35 GLU CG C 13 36.721 0.05 . 1 . . . . 35 . . . 6197 1 388 . 1 1 35 35 GLU HA H 1 5.134 0.02 . 1 . . . . 35 . . . 6197 1 389 . 1 1 35 35 GLU HB2 H 1 2.348 0.02 . 2 . . . . 35 . . . 6197 1 390 . 1 1 35 35 GLU HB3 H 1 2.176 0.02 . 2 . . . . 35 . . . 6197 1 391 . 1 1 35 35 GLU HG2 H 1 2.464 0.02 . 2 . . . . 35 . . . 6197 1 392 . 1 1 35 35 GLU HG3 H 1 2.354 0.02 . 2 . . . . 35 . . . 6197 1 393 . 1 1 35 35 GLU H H 1 9.082 0.02 . 1 . . . . 35 . . . 6197 1 394 . 1 1 35 35 GLU N N 15 120.556 0.05 . 1 . . . . 35 . . . 6197 1 395 . 1 1 36 36 PRO CA C 13 64.997 0.05 . 1 . . . . 36 . . . 6197 1 396 . 1 1 36 36 PRO CB C 13 31.749 0.05 . 1 . . . . 36 . . . 6197 1 397 . 1 1 36 36 PRO CD C 13 51.643 0.05 . 1 . . . . 36 . . . 6197 1 398 . 1 1 36 36 PRO CG C 13 27.479 0.05 . 1 . . . . 36 . . . 6197 1 399 . 1 1 36 36 PRO C C 13 176.107 0.05 . 1 . . . . 36 . . . 6197 1 400 . 1 1 36 36 PRO HA H 1 4.505 0.02 . 1 . . . . 36 . . . 6197 1 401 . 1 1 36 36 PRO HB2 H 1 2.41 0.02 . 2 . . . . 36 . . . 6197 1 402 . 1 1 36 36 PRO HB3 H 1 2.118 0.02 . 2 . . . . 36 . . . 6197 1 403 . 1 1 36 36 PRO HD2 H 1 3.904 0.02 . 2 . . . . 36 . . . 6197 1 404 . 1 1 36 36 PRO HD3 H 1 4.091 0.02 . 2 . . . . 36 . . . 6197 1 405 . 1 1 36 36 PRO HG2 H 1 1.931 0.02 . 2 . . . . 36 . . . 6197 1 406 . 1 1 36 36 PRO HG3 H 1 2.115 0.02 . 2 . . . . 36 . . . 6197 1 407 . 1 1 37 37 SER CA C 13 58.353 0.05 . 1 . . . . 37 . . . 6197 1 408 . 1 1 37 37 SER CB C 13 63.57 0.05 . 1 . . . . 37 . . . 6197 1 409 . 1 1 37 37 SER C C 13 175.186 0.05 . 1 . . . . 37 . . . 6197 1 410 . 1 1 37 37 SER HA H 1 4.37 0.02 . 1 . . . . 37 . . . 6197 1 411 . 1 1 37 37 SER HB2 H 1 3.841 0.02 . 2 . . . . 37 . . . 6197 1 412 . 1 1 37 37 SER HB3 H 1 3.784 0.02 . 2 . . . . 37 . . . 6197 1 413 . 1 1 37 37 SER H H 1 7.528 0.02 . 1 . . . . 37 . . . 6197 1 414 . 1 1 37 37 SER N N 15 112.246 0.05 . 1 . . . . 37 . . . 6197 1 415 . 1 1 38 38 GLY CA C 13 45.798 0.05 . 1 . . . . 38 . . . 6197 1 416 . 1 1 38 38 GLY C C 13 173.423 0.05 . 1 . . . . 38 . . . 6197 1 417 . 1 1 38 38 GLY HA2 H 1 3.654 0.02 . 2 . . . . 38 . . . 6197 1 418 . 1 1 38 38 GLY HA3 H 1 4.122 0.02 . 2 . . . . 38 . . . 6197 1 419 . 1 1 38 38 GLY H H 1 8.167 0.02 . 1 . . . . 38 . . . 6197 1 420 . 1 1 38 38 GLY N N 15 107.307 0.05 . 1 . . . . 38 . . . 6197 1 421 . 1 1 39 39 TRP CA C 13 56.477 0.05 . 1 . . . . 39 . . . 6197 1 422 . 1 1 39 39 TRP CB C 13 32.539 0.05 . 1 . . . . 39 . . . 6197 1 423 . 1 1 39 39 TRP C C 13 174.616 0.05 . 1 . . . . 39 . . . 6197 1 424 . 1 1 39 39 TRP HA H 1 5.187 0.02 . 1 . . . . 39 . . . 6197 1 425 . 1 1 39 39 TRP HB2 H 1 3.452 0.02 . 2 . . . . 39 . . . 6197 1 426 . 1 1 39 39 TRP HB3 H 1 2.619 0.02 . 2 . . . . 39 . . . 6197 1 427 . 1 1 39 39 TRP HD1 H 1 6.913 0.02 . 1 . . . . 39 . . . 6197 1 428 . 1 1 39 39 TRP HE1 H 1 10.007 0.02 . 1 . . . . 39 . . . 6197 1 429 . 1 1 39 39 TRP H H 1 7.17 0.02 . 1 . . . . 39 . . . 6197 1 430 . 1 1 39 39 TRP HZ2 H 1 7.46 0.02 . 1 . . . . 39 . . . 6197 1 431 . 1 1 39 39 TRP N N 15 121.618 0.05 . 1 . . . . 39 . . . 6197 1 432 . 1 1 39 39 TRP NE1 N 15 130.041 0.05 . 1 . . . . 39 . . . 6197 1 433 . 1 1 39 39 TRP CD2 C 13 127.54 0 . 1 . . . . 39 . . . 6197 1 434 . 1 1 39 39 TRP CE3 C 13 119.989 0 . 1 . . . . 39 . . . 6197 1 435 . 1 1 39 39 TRP CH2 C 13 120.654 0 . 1 . . . . 39 . . . 6197 1 436 . 1 1 39 39 TRP CZ2 C 13 114.732 0 . 1 . . . . 39 . . . 6197 1 437 . 1 1 39 39 TRP CZ3 C 13 124.278 0 . 1 . . . . 39 . . . 6197 1 438 . 1 1 39 39 TRP HE3 H 1 7.464 0.003 . 1 . . . . 39 . . . 6197 1 439 . 1 1 39 39 TRP HH2 H 1 6.857 0.002 . 1 . . . . 39 . . . 6197 1 440 . 1 1 39 39 TRP HZ3 H 1 7.318 0.006 . 1 . . . . 39 . . . 6197 1 441 . 1 1 40 40 SER CA C 13 58.593 0.05 . 1 . . . . 40 . . . 6197 1 442 . 1 1 40 40 SER CB C 13 66.17 0.05 . 1 . . . . 40 . . . 6197 1 443 . 1 1 40 40 SER C C 13 171.346 0.05 . 1 . . . . 40 . . . 6197 1 444 . 1 1 40 40 SER HA H 1 5.536 0.02 . 1 . . . . 40 . . . 6197 1 445 . 1 1 40 40 SER HB2 H 1 3.949 0.02 . 2 . . . . 40 . . . 6197 1 446 . 1 1 40 40 SER HB3 H 1 3.254 0.02 . 2 . . . . 40 . . . 6197 1 447 . 1 1 40 40 SER H H 1 10.03 0.02 . 1 . . . . 40 . . . 6197 1 448 . 1 1 40 40 SER N N 15 117.751 0.05 . 1 . . . . 40 . . . 6197 1 449 . 1 1 41 41 LEU CA C 13 54.393 0.05 . 1 . . . . 41 . . . 6197 1 450 . 1 1 41 41 LEU CB C 13 41.214 0.05 . 1 . . . . 41 . . . 6197 1 451 . 1 1 41 41 LEU CD1 C 13 20.442 0.05 . 2 . . . . 41 . . . 6197 1 452 . 1 1 41 41 LEU CD2 C 13 25.683 0.05 . 2 . . . . 41 . . . 6197 1 453 . 1 1 41 41 LEU CG C 13 26.76 0.05 . 1 . . . . 41 . . . 6197 1 454 . 1 1 41 41 LEU C C 13 173.311 0.05 . 1 . . . . 41 . . . 6197 1 455 . 1 1 41 41 LEU HA H 1 3.647 0.02 . 1 . . . . 41 . . . 6197 1 456 . 1 1 41 41 LEU HB2 H 1 1.397 0.02 . 2 . . . . 41 . . . 6197 1 457 . 1 1 41 41 LEU HB3 H 1 -0.368 0.02 . 2 . . . . 41 . . . 6197 1 458 . 1 1 41 41 LEU HD11 H 1 -0.257 0.02 . 1 . . . . 41 . . . 6197 1 459 . 1 1 41 41 LEU HD12 H 1 -0.257 0.02 . 1 . . . . 41 . . . 6197 1 460 . 1 1 41 41 LEU HD13 H 1 -0.257 0.02 . 1 . . . . 41 . . . 6197 1 461 . 1 1 41 41 LEU HD21 H 1 0.443 0.02 . 1 . . . . 41 . . . 6197 1 462 . 1 1 41 41 LEU HD22 H 1 0.443 0.02 . 1 . . . . 41 . . . 6197 1 463 . 1 1 41 41 LEU HD23 H 1 0.443 0.02 . 1 . . . . 41 . . . 6197 1 464 . 1 1 41 41 LEU HG H 1 0.875 0.02 . 1 . . . . 41 . . . 6197 1 465 . 1 1 41 41 LEU H H 1 8.558 0.02 . 1 . . . . 41 . . . 6197 1 466 . 1 1 41 41 LEU N N 15 127.849 0.05 . 1 . . . . 41 . . . 6197 1 467 . 1 1 42 42 ALA CA C 13 49.71 0.05 . 1 . . . . 42 . . . 6197 1 468 . 1 1 42 42 ALA CB C 13 24.088 0.05 . 1 . . . . 42 . . . 6197 1 469 . 1 1 42 42 ALA C C 13 175.297 0.05 . 1 . . . . 42 . . . 6197 1 470 . 1 1 42 42 ALA HA H 1 5.582 0.02 . 1 . . . . 42 . . . 6197 1 471 . 1 1 42 42 ALA HB1 H 1 1.293 0.02 . 1 . . . . 42 . . . 6197 1 472 . 1 1 42 42 ALA HB2 H 1 1.293 0.02 . 1 . . . . 42 . . . 6197 1 473 . 1 1 42 42 ALA HB3 H 1 1.293 0.02 . 1 . . . . 42 . . . 6197 1 474 . 1 1 42 42 ALA H H 1 8.911 0.02 . 1 . . . . 42 . . . 6197 1 475 . 1 1 42 42 ALA N N 15 131.788 0.05 . 1 . . . . 42 . . . 6197 1 476 . 1 1 43 43 LYS CA C 13 54.915 0.05 . 1 . . . . 43 . . . 6197 1 477 . 1 1 43 43 LYS CB C 13 37.221 0.05 . 1 . . . . 43 . . . 6197 1 478 . 1 1 43 43 LYS CD C 13 29.93 0.05 . 1 . . . . 43 . . . 6197 1 479 . 1 1 43 43 LYS CE C 13 41.77 0.05 . 1 . . . . 43 . . . 6197 1 480 . 1 1 43 43 LYS CG C 13 24.503 0.05 . 1 . . . . 43 . . . 6197 1 481 . 1 1 43 43 LYS C C 13 175.845 0.05 . 1 . . . . 43 . . . 6197 1 482 . 1 1 43 43 LYS HA H 1 5.087 0.02 . 1 . . . . 43 . . . 6197 1 483 . 1 1 43 43 LYS HB2 H 1 1.881 0.02 . 2 . . . . 43 . . . 6197 1 484 . 1 1 43 43 LYS HB3 H 1 1.795 0.02 . 2 . . . . 43 . . . 6197 1 485 . 1 1 43 43 LYS HD2 H 1 1.646 0.02 . 2 . . . . 43 . . . 6197 1 486 . 1 1 43 43 LYS HD3 H 1 1.648 0.02 . 2 . . . . 43 . . . 6197 1 487 . 1 1 43 43 LYS HE2 H 1 2.856 0.02 . 2 . . . . 43 . . . 6197 1 488 . 1 1 43 43 LYS HE3 H 1 2.849 0.02 . 2 . . . . 43 . . . 6197 1 489 . 1 1 43 43 LYS HG2 H 1 1.461 0.02 . 2 . . . . 43 . . . 6197 1 490 . 1 1 43 43 LYS HG3 H 1 1.819 0.02 . 2 . . . . 43 . . . 6197 1 491 . 1 1 43 43 LYS H H 1 8.866 0.02 . 1 . . . . 43 . . . 6197 1 492 . 1 1 43 43 LYS N N 15 118.392 0.05 . 1 . . . . 43 . . . 6197 1 493 . 1 1 44 44 LEU CA C 13 55.71 0.05 . 1 . . . . 44 . . . 6197 1 494 . 1 1 44 44 LEU CB C 13 42.55 0.05 . 1 . . . . 44 . . . 6197 1 495 . 1 1 44 44 LEU CD1 C 13 26.236 0.05 . 2 . . . . 44 . . . 6197 1 496 . 1 1 44 44 LEU CD2 C 13 22.407 0.05 . 2 . . . . 44 . . . 6197 1 497 . 1 1 44 44 LEU CG C 13 27.368 0.05 . 1 . . . . 44 . . . 6197 1 498 . 1 1 44 44 LEU C C 13 179.188 0.05 . 1 . . . . 44 . . . 6197 1 499 . 1 1 44 44 LEU HA H 1 4.459 0.02 . 1 . . . . 44 . . . 6197 1 500 . 1 1 44 44 LEU HB2 H 1 1.897 0.02 . 2 . . . . 44 . . . 6197 1 501 . 1 1 44 44 LEU HB3 H 1 1.772 0.02 . 2 . . . . 44 . . . 6197 1 502 . 1 1 44 44 LEU HD11 H 1 1.027 0.02 . 1 . . . . 44 . . . 6197 1 503 . 1 1 44 44 LEU HD12 H 1 1.027 0.02 . 1 . . . . 44 . . . 6197 1 504 . 1 1 44 44 LEU HD13 H 1 1.027 0.02 . 1 . . . . 44 . . . 6197 1 505 . 1 1 44 44 LEU HD21 H 1 0.96 0.02 . 1 . . . . 44 . . . 6197 1 506 . 1 1 44 44 LEU HD22 H 1 0.96 0.02 . 1 . . . . 44 . . . 6197 1 507 . 1 1 44 44 LEU HD23 H 1 0.96 0.02 . 1 . . . . 44 . . . 6197 1 508 . 1 1 44 44 LEU HG H 1 1.819 0.02 . 1 . . . . 44 . . . 6197 1 509 . 1 1 44 44 LEU H H 1 7.986 0.02 . 1 . . . . 44 . . . 6197 1 510 . 1 1 44 44 LEU N N 15 121.486 0.05 . 1 . . . . 44 . . . 6197 1 511 . 1 1 45 45 LEU CA C 13 57.656 0.05 . 1 . . . . 45 . . . 6197 1 512 . 1 1 45 45 LEU CB C 13 41.117 0.05 . 1 . . . . 45 . . . 6197 1 513 . 1 1 45 45 LEU CD1 C 13 22.825 0.05 . 2 . . . . 45 . . . 6197 1 514 . 1 1 45 45 LEU CD2 C 13 24.774 0.05 . 2 . . . . 45 . . . 6197 1 515 . 1 1 45 45 LEU CG C 13 26.894 0.05 . 1 . . . . 45 . . . 6197 1 516 . 1 1 45 45 LEU C C 13 178.513 0.05 . 1 . . . . 45 . . . 6197 1 517 . 1 1 45 45 LEU HA H 1 4.076 0.02 . 1 . . . . 45 . . . 6197 1 518 . 1 1 45 45 LEU HB2 H 1 1.477 0.02 . 2 . . . . 45 . . . 6197 1 519 . 1 1 45 45 LEU HB3 H 1 1.607 0.02 . 2 . . . . 45 . . . 6197 1 520 . 1 1 45 45 LEU HD11 H 1 0.196 0.02 . 1 . . . . 45 . . . 6197 1 521 . 1 1 45 45 LEU HD12 H 1 0.196 0.02 . 1 . . . . 45 . . . 6197 1 522 . 1 1 45 45 LEU HD13 H 1 0.196 0.02 . 1 . . . . 45 . . . 6197 1 523 . 1 1 45 45 LEU HD21 H 1 0.576 0.02 . 1 . . . . 45 . . . 6197 1 524 . 1 1 45 45 LEU HD22 H 1 0.576 0.02 . 1 . . . . 45 . . . 6197 1 525 . 1 1 45 45 LEU HD23 H 1 0.576 0.02 . 1 . . . . 45 . . . 6197 1 526 . 1 1 45 45 LEU HG H 1 1.632 0.02 . 1 . . . . 45 . . . 6197 1 527 . 1 1 45 45 LEU H H 1 8.419 0.02 . 1 . . . . 45 . . . 6197 1 528 . 1 1 45 45 LEU N N 15 120.42 0.05 . 1 . . . . 45 . . . 6197 1 529 . 1 1 46 46 ASP CA C 13 52.952 0.05 . 1 . . . . 46 . . . 6197 1 530 . 1 1 46 46 ASP CB C 13 39.755 0.05 . 1 . . . . 46 . . . 6197 1 531 . 1 1 46 46 ASP C C 13 178.005 0.05 . 1 . . . . 46 . . . 6197 1 532 . 1 1 46 46 ASP HA H 1 4.586 0.02 . 1 . . . . 46 . . . 6197 1 533 . 1 1 46 46 ASP HB2 H 1 3.166 0.02 . 2 . . . . 46 . . . 6197 1 534 . 1 1 46 46 ASP HB3 H 1 2.649 0.02 . 2 . . . . 46 . . . 6197 1 535 . 1 1 46 46 ASP H H 1 7.964 0.02 . 1 . . . . 46 . . . 6197 1 536 . 1 1 46 46 ASP N N 15 114.644 0.05 . 1 . . . . 46 . . . 6197 1 537 . 1 1 47 47 GLY CA C 13 45.808 0.05 . 1 . . . . 47 . . . 6197 1 538 . 1 1 47 47 GLY C C 13 175.948 0.05 . 1 . . . . 47 . . . 6197 1 539 . 1 1 47 47 GLY HA2 H 1 4.212 0.02 . 2 . . . . 47 . . . 6197 1 540 . 1 1 47 47 GLY HA3 H 1 3.704 0.02 . 2 . . . . 47 . . . 6197 1 541 . 1 1 47 47 GLY H H 1 8.613 0.02 . 1 . . . . 47 . . . 6197 1 542 . 1 1 47 47 GLY N N 15 109.122 0.05 . 1 . . . . 47 . . . 6197 1 543 . 1 1 48 48 SER CA C 13 61.438 0.05 . 1 . . . . 48 . . . 6197 1 544 . 1 1 48 48 SER CB C 13 63.668 0.05 . 1 . . . . 48 . . . 6197 1 545 . 1 1 48 48 SER C C 13 174.52 0.05 . 1 . . . . 48 . . . 6197 1 546 . 1 1 48 48 SER HA H 1 4.032 0.02 . 1 . . . . 48 . . . 6197 1 547 . 1 1 48 48 SER HB2 H 1 3.883 0.02 . 2 . . . . 48 . . . 6197 1 548 . 1 1 48 48 SER HB3 H 1 3.799 0.02 . 2 . . . . 48 . . . 6197 1 549 . 1 1 48 48 SER H H 1 8.527 0.02 . 1 . . . . 48 . . . 6197 1 550 . 1 1 48 48 SER N N 15 114.964 0.05 . 1 . . . . 48 . . . 6197 1 551 . 1 1 49 49 LYS CA C 13 55.863 0.05 . 1 . . . . 49 . . . 6197 1 552 . 1 1 49 49 LYS CB C 13 37.787 0.05 . 1 . . . . 49 . . . 6197 1 553 . 1 1 49 49 LYS CD C 13 29.565 0.05 . 1 . . . . 49 . . . 6197 1 554 . 1 1 49 49 LYS CE C 13 42.014 0.05 . 1 . . . . 49 . . . 6197 1 555 . 1 1 49 49 LYS CG C 13 26.871 0.05 . 1 . . . . 49 . . . 6197 1 556 . 1 1 49 49 LYS C C 13 173.403 0.05 . 1 . . . . 49 . . . 6197 1 557 . 1 1 49 49 LYS HA H 1 4.642 0.02 . 1 . . . . 49 . . . 6197 1 558 . 1 1 49 49 LYS HB2 H 1 1.742 0.02 . 2 . . . . 49 . . . 6197 1 559 . 1 1 49 49 LYS HB3 H 1 1.666 0.02 . 2 . . . . 49 . . . 6197 1 560 . 1 1 49 49 LYS HD2 H 1 1.73 0.02 . 2 . . . . 49 . . . 6197 1 561 . 1 1 49 49 LYS HD3 H 1 1.724 0.02 . 2 . . . . 49 . . . 6197 1 562 . 1 1 49 49 LYS HE2 H 1 3.046 0.02 . 1 . . . . 49 . . . 6197 1 563 . 1 1 49 49 LYS HE3 H 1 3.046 0.02 . 1 . . . . 49 . . . 6197 1 564 . 1 1 49 49 LYS HG2 H 1 1.497 0.02 . 2 . . . . 49 . . . 6197 1 565 . 1 1 49 49 LYS HG3 H 1 1.475 0.02 . 2 . . . . 49 . . . 6197 1 566 . 1 1 49 49 LYS H H 1 6.939 0.02 . 1 . . . . 49 . . . 6197 1 567 . 1 1 49 49 LYS N N 15 118.725 0.05 . 1 . . . . 49 . . . 6197 1 568 . 1 1 50 50 GLU CA C 13 53.89 0.05 . 1 . . . . 50 . . . 6197 1 569 . 1 1 50 50 GLU CB C 13 34.284 0.05 . 1 . . . . 50 . . . 6197 1 570 . 1 1 50 50 GLU C C 13 175.004 0.05 . 1 . . . . 50 . . . 6197 1 571 . 1 1 50 50 GLU HA H 1 5.516 0.02 . 1 . . . . 50 . . . 6197 1 572 . 1 1 50 50 GLU HB2 H 1 1.92 0.02 . 2 . . . . 50 . . . 6197 1 573 . 1 1 50 50 GLU HB3 H 1 1.928 0.02 . 2 . . . . 50 . . . 6197 1 574 . 1 1 50 50 GLU HG2 H 1 2.022 0.02 . 2 . . . . 50 . . . 6197 1 575 . 1 1 50 50 GLU HG3 H 1 2.017 0.02 . 2 . . . . 50 . . . 6197 1 576 . 1 1 50 50 GLU H H 1 8.33 0.02 . 1 . . . . 50 . . . 6197 1 577 . 1 1 50 50 GLU N N 15 121.14 0.05 . 1 . . . . 50 . . . 6197 1 578 . 1 1 51 51 GLY CA C 13 45.278 0.05 . 1 . . . . 51 . . . 6197 1 579 . 1 1 51 51 GLY C C 13 170.545 0.05 . 1 . . . . 51 . . . 6197 1 580 . 1 1 51 51 GLY HA2 H 1 3.858 0.02 . 2 . . . . 51 . . . 6197 1 581 . 1 1 51 51 GLY HA3 H 1 3.978 0.02 . 2 . . . . 51 . . . 6197 1 582 . 1 1 51 51 GLY H H 1 9.204 0.02 . 1 . . . . 51 . . . 6197 1 583 . 1 1 51 51 GLY N N 15 109.988 0.05 . 1 . . . . 51 . . . 6197 1 584 . 1 1 52 52 TRP CA C 13 57.673 0.05 . 1 . . . . 52 . . . 6197 1 585 . 1 1 52 52 TRP CB C 13 30.5 0.05 . 1 . . . . 52 . . . 6197 1 586 . 1 1 52 52 TRP C C 13 177.121 0.05 . 1 . . . . 52 . . . 6197 1 587 . 1 1 52 52 TRP HA H 1 5.452 0.02 . 1 . . . . 52 . . . 6197 1 588 . 1 1 52 52 TRP HB2 H 1 3.346 0.02 . 2 . . . . 52 . . . 6197 1 589 . 1 1 52 52 TRP HB3 H 1 2.827 0.02 . 2 . . . . 52 . . . 6197 1 590 . 1 1 52 52 TRP HE1 H 1 10.199 0.02 . 1 . . . . 52 . . . 6197 1 591 . 1 1 52 52 TRP H H 1 9.018 0.02 . 1 . . . . 52 . . . 6197 1 592 . 1 1 52 52 TRP N N 15 121.286 0.05 . 1 . . . . 52 . . . 6197 1 593 . 1 1 52 52 TRP NE1 N 15 129.918 0.05 . 1 . . . . 52 . . . 6197 1 594 . 1 1 52 52 TRP CD1 C 13 128.332 0 . 1 . . . . 52 . . . 6197 1 595 . 1 1 52 52 TRP CE3 C 13 120.52 0 . 1 . . . . 52 . . . 6197 1 596 . 1 1 52 52 TRP CH2 C 13 123.726 0 . 1 . . . . 52 . . . 6197 1 597 . 1 1 52 52 TRP CZ2 C 13 114.943 0 . 1 . . . . 52 . . . 6197 1 598 . 1 1 52 52 TRP CZ3 C 13 121.419 0 . 1 . . . . 52 . . . 6197 1 599 . 1 1 52 52 TRP HD1 H 1 7.408 0.002 . 1 . . . . 52 . . . 6197 1 600 . 1 1 52 52 TRP HE3 H 1 7.541 0.004 . 1 . . . . 52 . . . 6197 1 601 . 1 1 52 52 TRP HH2 H 1 7.054 0.003 . 1 . . . . 52 . . . 6197 1 602 . 1 1 52 52 TRP HZ2 H 1 7.434 0.004 . 1 . . . . 52 . . . 6197 1 603 . 1 1 52 52 TRP HZ3 H 1 6.846 0.003 . 1 . . . . 52 . . . 6197 1 604 . 1 1 53 53 VAL CA C 13 57.934 0.05 . 1 . . . . 53 . . . 6197 1 605 . 1 1 53 53 VAL CB C 13 34.563 0.05 . 1 . . . . 53 . . . 6197 1 606 . 1 1 53 53 VAL CG1 C 13 19.679 0.05 . 2 . . . . 53 . . . 6197 1 607 . 1 1 53 53 VAL CG2 C 13 22.901 0.05 . 2 . . . . 53 . . . 6197 1 608 . 1 1 53 53 VAL HA H 1 4.883 0.02 . 1 . . . . 53 . . . 6197 1 609 . 1 1 53 53 VAL HB H 1 1.806 0.02 . 1 . . . . 53 . . . 6197 1 610 . 1 1 53 53 VAL HG11 H 1 0.693 0.02 . 1 . . . . 53 . . . 6197 1 611 . 1 1 53 53 VAL HG12 H 1 0.693 0.02 . 1 . . . . 53 . . . 6197 1 612 . 1 1 53 53 VAL HG13 H 1 0.693 0.02 . 1 . . . . 53 . . . 6197 1 613 . 1 1 53 53 VAL HG21 H 1 1.267 0.02 . 1 . . . . 53 . . . 6197 1 614 . 1 1 53 53 VAL HG22 H 1 1.267 0.02 . 1 . . . . 53 . . . 6197 1 615 . 1 1 53 53 VAL HG23 H 1 1.267 0.02 . 1 . . . . 53 . . . 6197 1 616 . 1 1 53 53 VAL H H 1 9.703 0.02 . 1 . . . . 53 . . . 6197 1 617 . 1 1 53 53 VAL N N 15 114.644 0.05 . 1 . . . . 53 . . . 6197 1 618 . 1 1 54 54 PRO CA C 13 61.649 0.05 . 1 . . . . 54 . . . 6197 1 619 . 1 1 54 54 PRO CD C 13 48.992 0.05 . 1 . . . . 54 . . . 6197 1 620 . 1 1 54 54 PRO CG C 13 28.043 0.05 . 1 . . . . 54 . . . 6197 1 621 . 1 1 54 54 PRO C C 13 178.015 0.05 . 1 . . . . 54 . . . 6197 1 622 . 1 1 54 54 PRO HA H 1 3.616 0.02 . 1 . . . . 54 . . . 6197 1 623 . 1 1 54 54 PRO HB2 H 1 1.017 0.02 . 1 . . . . 54 . . . 6197 1 624 . 1 1 54 54 PRO HB3 H 1 1.017 0.02 . 1 . . . . 54 . . . 6197 1 625 . 1 1 54 54 PRO HD2 H 1 1.983 0.02 . 2 . . . . 54 . . . 6197 1 626 . 1 1 54 54 PRO HD3 H 1 1.799 0.02 . 2 . . . . 54 . . . 6197 1 627 . 1 1 54 54 PRO HG2 H 1 0.444 0.02 . 2 . . . . 54 . . . 6197 1 628 . 1 1 54 54 PRO HG3 H 1 0.242 0.02 . 2 . . . . 54 . . . 6197 1 629 . 1 1 55 55 THR CA C 13 67.173 0.05 . 1 . . . . 55 . . . 6197 1 630 . 1 1 55 55 THR CB C 13 69.244 0.05 . 1 . . . . 55 . . . 6197 1 631 . 1 1 55 55 THR CG2 C 13 21.573 0.05 . 1 . . . . 55 . . . 6197 1 632 . 1 1 55 55 THR HA H 1 3.312 0.02 . 1 . . . . 55 . . . 6197 1 633 . 1 1 55 55 THR HB H 1 3.419 0.02 . 1 . . . . 55 . . . 6197 1 634 . 1 1 55 55 THR HG21 H 1 1.01 0.02 . 1 . . . . 55 . . . 6197 1 635 . 1 1 55 55 THR HG22 H 1 1.01 0.02 . 1 . . . . 55 . . . 6197 1 636 . 1 1 55 55 THR HG23 H 1 1.01 0.02 . 1 . . . . 55 . . . 6197 1 637 . 1 1 55 55 THR H H 1 8.52 0.02 . 1 . . . . 55 . . . 6197 1 638 . 1 1 55 55 THR N N 15 127.302 0.05 . 1 . . . . 55 . . . 6197 1 639 . 1 1 56 56 ALA CA C 13 53.579 0.05 . 1 . . . . 56 . . . 6197 1 640 . 1 1 56 56 ALA CB C 13 20.875 0.05 . 1 . . . . 56 . . . 6197 1 641 . 1 1 56 56 ALA HA H 1 4.124 0.02 . 1 . . . . 56 . . . 6197 1 642 . 1 1 56 56 ALA HB1 H 1 1.331 0.02 . 1 . . . . 56 . . . 6197 1 643 . 1 1 56 56 ALA HB2 H 1 1.331 0.02 . 1 . . . . 56 . . . 6197 1 644 . 1 1 56 56 ALA HB3 H 1 1.331 0.02 . 1 . . . . 56 . . . 6197 1 645 . 1 1 57 57 TYR CA C 13 57.293 0.05 . 1 . . . . 57 . . . 6197 1 646 . 1 1 57 57 TYR CB C 13 37.007 0.05 . 1 . . . . 57 . . . 6197 1 647 . 1 1 57 57 TYR C C 13 174.067 0.05 . 1 . . . . 57 . . . 6197 1 648 . 1 1 57 57 TYR HA H 1 4.759 0.02 . 1 . . . . 57 . . . 6197 1 649 . 1 1 57 57 TYR HB2 H 1 3.161 0.02 . 2 . . . . 57 . . . 6197 1 650 . 1 1 57 57 TYR HB3 H 1 3.34 0.02 . 2 . . . . 57 . . . 6197 1 651 . 1 1 57 57 TYR CD1 C 13 133.587 0 . 3 . . . . 57 . . . 6197 1 652 . 1 1 57 57 TYR CE1 C 13 118.446 0 . 3 . . . . 57 . . . 6197 1 653 . 1 1 57 57 TYR HD1 H 1 6.78 0.003 . 3 . . . . 57 . . . 6197 1 654 . 1 1 57 57 TYR HE1 H 1 6.93 0.008 . 3 . . . . 57 . . . 6197 1 655 . 1 1 58 58 MET CA C 13 52.759 0.05 . 1 . . . . 58 . . . 6197 1 656 . 1 1 58 58 MET CB C 13 31.817 0.05 . 1 . . . . 58 . . . 6197 1 657 . 1 1 58 58 MET CE C 13 16.978 0.05 . 1 . . . . 58 . . . 6197 1 658 . 1 1 58 58 MET C C 13 176.363 0.05 . 1 . . . . 58 . . . 6197 1 659 . 1 1 58 58 MET HA H 1 5.412 0.02 . 1 . . . . 58 . . . 6197 1 660 . 1 1 58 58 MET HB2 H 1 2.179 0.02 . 2 . . . . 58 . . . 6197 1 661 . 1 1 58 58 MET HB3 H 1 1.726 0.02 . 2 . . . . 58 . . . 6197 1 662 . 1 1 58 58 MET HE1 H 1 1.712 0.02 . 1 . . . . 58 . . . 6197 1 663 . 1 1 58 58 MET HE2 H 1 1.712 0.02 . 1 . . . . 58 . . . 6197 1 664 . 1 1 58 58 MET HE3 H 1 1.712 0.02 . 1 . . . . 58 . . . 6197 1 665 . 1 1 58 58 MET HG2 H 1 2.578 0.02 . 1 . . . . 58 . . . 6197 1 666 . 1 1 58 58 MET HG3 H 1 2.578 0.02 . 1 . . . . 58 . . . 6197 1 667 . 1 1 58 58 MET H H 1 7.611 0.02 . 1 . . . . 58 . . . 6197 1 668 . 1 1 58 58 MET N N 15 116.777 0.05 . 1 . . . . 58 . . . 6197 1 669 . 1 1 59 59 THR CA C 13 58.623 0.05 . 1 . . . . 59 . . . 6197 1 670 . 1 1 59 59 THR CB C 13 71.441 0.05 . 1 . . . . 59 . . . 6197 1 671 . 1 1 59 59 THR CG2 C 13 20.614 0.05 . 1 . . . . 59 . . . 6197 1 672 . 1 1 59 59 THR HA H 1 5.276 0.02 . 1 . . . . 59 . . . 6197 1 673 . 1 1 59 59 THR HB H 1 4.155 0.02 . 1 . . . . 59 . . . 6197 1 674 . 1 1 59 59 THR HG21 H 1 1.273 0.02 . 1 . . . . 59 . . . 6197 1 675 . 1 1 59 59 THR HG22 H 1 1.273 0.02 . 1 . . . . 59 . . . 6197 1 676 . 1 1 59 59 THR HG23 H 1 1.273 0.02 . 1 . . . . 59 . . . 6197 1 677 . 1 1 59 59 THR H H 1 9.358 0.02 . 1 . . . . 59 . . . 6197 1 678 . 1 1 59 59 THR N N 15 118.43 0.05 . 1 . . . . 59 . . . 6197 1 679 . 1 1 60 60 PRO CA C 13 64.41 0.05 . 1 . . . . 60 . . . 6197 1 680 . 1 1 60 60 PRO CB C 13 31.867 0.05 . 1 . . . . 60 . . . 6197 1 681 . 1 1 60 60 PRO CD C 13 51.648 0.05 . 1 . . . . 60 . . . 6197 1 682 . 1 1 60 60 PRO CG C 13 28.434 0.05 . 1 . . . . 60 . . . 6197 1 683 . 1 1 60 60 PRO C C 13 176.048 0.05 . 1 . . . . 60 . . . 6197 1 684 . 1 1 60 60 PRO HA H 1 3.548 0.02 . 1 . . . . 60 . . . 6197 1 685 . 1 1 60 60 PRO HB2 H 1 2.097 0.02 . 2 . . . . 60 . . . 6197 1 686 . 1 1 60 60 PRO HB3 H 1 1.673 0.02 . 2 . . . . 60 . . . 6197 1 687 . 1 1 60 60 PRO HD2 H 1 4.101 0.02 . 2 . . . . 60 . . . 6197 1 688 . 1 1 60 60 PRO HD3 H 1 3.799 0.02 . 2 . . . . 60 . . . 6197 1 689 . 1 1 60 60 PRO HG2 H 1 1.932 0.02 . 2 . . . . 60 . . . 6197 1 690 . 1 1 60 60 PRO HG3 H 1 2.093 0.02 . 2 . . . . 60 . . . 6197 1 691 . 1 1 61 61 TYR CA C 13 57.614 0.05 . 1 . . . . 61 . . . 6197 1 692 . 1 1 61 61 TYR CB C 13 39.521 0.05 . 1 . . . . 61 . . . 6197 1 693 . 1 1 61 61 TYR C C 13 174.551 0.05 . 1 . . . . 61 . . . 6197 1 694 . 1 1 61 61 TYR HA H 1 4.51 0.02 . 1 . . . . 61 . . . 6197 1 695 . 1 1 61 61 TYR HB2 H 1 2.515 0.02 . 2 . . . . 61 . . . 6197 1 696 . 1 1 61 61 TYR HB3 H 1 2.495 0.02 . 2 . . . . 61 . . . 6197 1 697 . 1 1 61 61 TYR H H 1 8.063 0.02 . 1 . . . . 61 . . . 6197 1 698 . 1 1 61 61 TYR N N 15 125.251 0.05 . 1 . . . . 61 . . . 6197 1 699 . 1 1 61 61 TYR CD1 C 13 132.893 0 . 3 . . . . 61 . . . 6197 1 700 . 1 1 61 61 TYR CE1 C 13 118.459 0 . 3 . . . . 61 . . . 6197 1 701 . 1 1 61 61 TYR HD1 H 1 6.961 0.003 . 3 . . . . 61 . . . 6197 1 702 . 1 1 61 61 TYR HE1 H 1 6.776 0.004 . 3 . . . . 61 . . . 6197 1 703 . 1 1 62 62 LYS CA C 13 55.135 0.05 . 1 . . . . 62 . . . 6197 1 704 . 1 1 62 62 LYS CB C 13 33.357 0.05 . 1 . . . . 62 . . . 6197 1 705 . 1 1 62 62 LYS CD C 13 28.69 0.05 . 1 . . . . 62 . . . 6197 1 706 . 1 1 62 62 LYS CE C 13 41.932 0.05 . 1 . . . . 62 . . . 6197 1 707 . 1 1 62 62 LYS CG C 13 24.393 0.05 . 1 . . . . 62 . . . 6197 1 708 . 1 1 62 62 LYS C C 13 176.047 0.05 . 1 . . . . 62 . . . 6197 1 709 . 1 1 62 62 LYS HA H 1 4.116 0.02 . 1 . . . . 62 . . . 6197 1 710 . 1 1 62 62 LYS HB2 H 1 1.494 0.02 . 2 . . . . 62 . . . 6197 1 711 . 1 1 62 62 LYS HB3 H 1 1.588 0.02 . 2 . . . . 62 . . . 6197 1 712 . 1 1 62 62 LYS HD2 H 1 1.566 0.02 . 2 . . . . 62 . . . 6197 1 713 . 1 1 62 62 LYS HD3 H 1 1.567 0.02 . 2 . . . . 62 . . . 6197 1 714 . 1 1 62 62 LYS HE2 H 1 2.884 0.02 . 1 . . . . 62 . . . 6197 1 715 . 1 1 62 62 LYS HE3 H 1 2.884 0.02 . 1 . . . . 62 . . . 6197 1 716 . 1 1 62 62 LYS HG2 H 1 1.156 0.02 . 2 . . . . 62 . . . 6197 1 717 . 1 1 62 62 LYS HG3 H 1 1.222 0.02 . 2 . . . . 62 . . . 6197 1 718 . 1 1 62 62 LYS H H 1 7.987 0.02 . 1 . . . . 62 . . . 6197 1 719 . 1 1 62 62 LYS N N 15 129.111 0.05 . 1 . . . . 62 . . . 6197 1 720 . 1 1 63 63 ASP CA C 13 54.54 0.05 . 1 . . . . 63 . . . 6197 1 721 . 1 1 63 63 ASP CB C 13 41.346 0.05 . 1 . . . . 63 . . . 6197 1 722 . 1 1 63 63 ASP HA H 1 4.38 0.02 . 1 . . . . 63 . . . 6197 1 723 . 1 1 63 63 ASP HB2 H 1 2.739 0.02 . 2 . . . . 63 . . . 6197 1 724 . 1 1 63 63 ASP HB3 H 1 2.526 0.02 . 2 . . . . 63 . . . 6197 1 725 . 1 1 63 63 ASP H H 1 7.865 0.02 . 1 . . . . 63 . . . 6197 1 726 . 1 1 63 63 ASP N N 15 122.316 0.05 . 1 . . . . 63 . . . 6197 1 727 . 1 1 64 64 THR CA C 13 61.817 0.05 . 1 . . . . 64 . . . 6197 1 728 . 1 1 64 64 THR CB C 13 69.411 0.05 . 1 . . . . 64 . . . 6197 1 729 . 1 1 64 64 THR CG2 C 13 21.565 0.05 . 1 . . . . 64 . . . 6197 1 730 . 1 1 64 64 THR HA H 1 4.268 0.02 . 1 . . . . 64 . . . 6197 1 731 . 1 1 64 64 THR HB H 1 4.287 0.02 . 1 . . . . 64 . . . 6197 1 732 . 1 1 64 64 THR HG21 H 1 1.159 0.02 . 1 . . . . 64 . . . 6197 1 733 . 1 1 64 64 THR HG22 H 1 1.159 0.02 . 1 . . . . 64 . . . 6197 1 734 . 1 1 64 64 THR HG23 H 1 1.159 0.02 . 1 . . . . 64 . . . 6197 1 735 . 1 1 65 65 ARG CA C 13 56.818 0.05 . 1 . . . . 65 . . . 6197 1 736 . 1 1 65 65 ARG CB C 13 30.459 0.05 . 1 . . . . 65 . . . 6197 1 737 . 1 1 65 65 ARG CD C 13 43.755 0.05 . 1 . . . . 65 . . . 6197 1 738 . 1 1 65 65 ARG HA H 1 4.317 0.02 . 1 . . . . 65 . . . 6197 1 739 . 1 1 65 65 ARG HB2 H 1 1.858 0.02 . 2 . . . . 65 . . . 6197 1 740 . 1 1 65 65 ARG HB3 H 1 1.81 0.02 . 2 . . . . 65 . . . 6197 1 741 . 1 1 65 65 ARG HD2 H 1 3.204 0.02 . 2 . . . . 65 . . . 6197 1 742 . 1 1 65 65 ARG HD3 H 1 3.196 0.02 . 2 . . . . 65 . . . 6197 1 743 . 1 1 65 65 ARG HG2 H 1 1.647 0.02 . 2 . . . . 65 . . . 6197 1 744 . 1 1 65 65 ARG HG3 H 1 1.625 0.02 . 2 . . . . 65 . . . 6197 1 745 . 1 1 66 66 ASN CA C 13 53.382 0.05 . 1 . . . . 66 . . . 6197 1 746 . 1 1 66 66 ASN CG C 13 177.04 0.05 . 1 . . . . 66 . . . 6197 1 747 . 1 1 66 66 ASN C C 13 176.661 0.05 . 1 . . . . 66 . . . 6197 1 748 . 1 1 66 66 ASN HA H 1 4.772 0.02 . 1 . . . . 66 . . . 6197 1 749 . 1 1 66 66 ASN HB2 H 1 2.862 0.02 . 2 . . . . 66 . . . 6197 1 750 . 1 1 66 66 ASN HB3 H 1 2.762 0.02 . 2 . . . . 66 . . . 6197 1 751 . 1 1 66 66 ASN ND2 N 15 112.928 0.05 . 1 . . . . 66 . . . 6197 1 752 . 1 1 66 66 ASN HD21 H 1 7.662 0.02 . 1 . . . . 66 . . . 6197 1 753 . 1 1 66 66 ASN HD22 H 1 6.911 0.02 . 1 . . . . 66 . . . 6197 1 754 . 1 1 66 66 ASN CB C 13 38.763 0.05 . 1 . . . . 66 . . . 6197 1 755 . 1 1 67 67 THR CA C 13 61.829 0.05 . 1 . . . . 67 . . . 6197 1 756 . 1 1 67 67 THR CB C 13 69.697 0.05 . 1 . . . . 67 . . . 6197 1 757 . 1 1 67 67 THR CG2 C 13 21.552 0.05 . 1 . . . . 67 . . . 6197 1 758 . 1 1 67 67 THR C C 13 174.219 0.05 . 1 . . . . 67 . . . 6197 1 759 . 1 1 67 67 THR HA H 1 4.338 0.02 . 1 . . . . 67 . . . 6197 1 760 . 1 1 67 67 THR HB H 1 4.196 0.02 . 1 . . . . 67 . . . 6197 1 761 . 1 1 67 67 THR HG21 H 1 1.17 0.02 . 1 . . . . 67 . . . 6197 1 762 . 1 1 67 67 THR HG22 H 1 1.17 0.02 . 1 . . . . 67 . . . 6197 1 763 . 1 1 67 67 THR HG23 H 1 1.17 0.02 . 1 . . . . 67 . . . 6197 1 764 . 1 1 67 67 THR H H 1 8.035 0.02 . 1 . . . . 67 . . . 6197 1 765 . 1 1 67 67 THR N N 15 114.707 0.05 . 1 . . . . 67 . . . 6197 1 766 . 1 1 68 68 VAL CA C 13 59.845 0.05 . 1 . . . . 68 . . . 6197 1 767 . 1 1 68 68 VAL CB C 13 32.467 0.05 . 1 . . . . 68 . . . 6197 1 768 . 1 1 68 68 VAL CG1 C 13 21.501 0.05 . 1 . . . . 68 . . . 6197 1 769 . 1 1 68 68 VAL HA H 1 4.44 0.02 . 1 . . . . 68 . . . 6197 1 770 . 1 1 68 68 VAL HB H 1 2.09 0.02 . 1 . . . . 68 . . . 6197 1 771 . 1 1 68 68 VAL HG11 H 1 0.967 0.02 . 2 . . . . 68 . . . 6197 1 772 . 1 1 68 68 VAL HG12 H 1 0.967 0.02 . 2 . . . . 68 . . . 6197 1 773 . 1 1 68 68 VAL HG13 H 1 0.967 0.02 . 2 . . . . 68 . . . 6197 1 774 . 1 1 68 68 VAL HG21 H 1 0.944 0.02 . 2 . . . . 68 . . . 6197 1 775 . 1 1 68 68 VAL HG22 H 1 0.944 0.02 . 2 . . . . 68 . . . 6197 1 776 . 1 1 68 68 VAL HG23 H 1 0.944 0.02 . 2 . . . . 68 . . . 6197 1 777 . 1 1 68 68 VAL H H 1 8.112 0.02 . 1 . . . . 68 . . . 6197 1 778 . 1 1 68 68 VAL N N 15 124.244 0.05 . 1 . . . . 68 . . . 6197 1 779 . 1 1 69 69 PRO CA C 13 63.525 0.05 . 1 . . . . 69 . . . 6197 1 780 . 1 1 69 69 PRO CB C 13 32.213 0.05 . 1 . . . . 69 . . . 6197 1 781 . 1 1 69 69 PRO CD C 13 51.201 0.05 . 1 . . . . 69 . . . 6197 1 782 . 1 1 69 69 PRO CG C 13 27.156 0.05 . 1 . . . . 69 . . . 6197 1 783 . 1 1 69 69 PRO C C 13 176.039 0.05 . 1 . . . . 69 . . . 6197 1 784 . 1 1 69 69 PRO HA H 1 4.446 0.02 . 1 . . . . 69 . . . 6197 1 785 . 1 1 69 69 PRO HB2 H 1 1.953 0.02 . 2 . . . . 69 . . . 6197 1 786 . 1 1 69 69 PRO HB3 H 1 2.276 0.02 . 2 . . . . 69 . . . 6197 1 787 . 1 1 69 69 PRO HD2 H 1 3.687 0.02 . 2 . . . . 69 . . . 6197 1 788 . 1 1 69 69 PRO HD3 H 1 3.884 0.02 . 2 . . . . 69 . . . 6197 1 789 . 1 1 69 69 PRO HG2 H 1 1.983 0.02 . 2 . . . . 69 . . . 6197 1 790 . 1 1 69 69 PRO HG3 H 1 2.053 0.02 . 2 . . . . 69 . . . 6197 1 791 . 1 1 70 70 VAL CA C 13 63.692 0.05 . 1 . . . . 70 . . . 6197 1 792 . 1 1 70 70 VAL CB C 13 33.112 0.05 . 1 . . . . 70 . . . 6197 1 793 . 1 1 70 70 VAL CG1 C 13 20.336 0.05 . 2 . . . . 70 . . . 6197 1 794 . 1 1 70 70 VAL CG2 C 13 20.297 0.05 . 2 . . . . 70 . . . 6197 1 795 . 1 1 70 70 VAL HA H 1 4.027 0.02 . 1 . . . . 70 . . . 6197 1 796 . 1 1 70 70 VAL HB H 1 2.083 0.02 . 1 . . . . 70 . . . 6197 1 797 . 1 1 70 70 VAL HG11 H 1 0.944 0.02 . 1 . . . . 70 . . . 6197 1 798 . 1 1 70 70 VAL HG12 H 1 0.944 0.02 . 1 . . . . 70 . . . 6197 1 799 . 1 1 70 70 VAL HG13 H 1 0.944 0.02 . 1 . . . . 70 . . . 6197 1 800 . 1 1 70 70 VAL HG21 H 1 0.921 0.02 . 1 . . . . 70 . . . 6197 1 801 . 1 1 70 70 VAL HG22 H 1 0.921 0.02 . 1 . . . . 70 . . . 6197 1 802 . 1 1 70 70 VAL HG23 H 1 0.921 0.02 . 1 . . . . 70 . . . 6197 1 803 . 1 1 70 70 VAL H H 1 7.719 0.02 . 1 . . . . 70 . . . 6197 1 804 . 1 1 70 70 VAL N N 15 124.388 0.05 . 1 . . . . 70 . . . 6197 1 stop_ save_