data_6158 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6158 _Entry.Title ; NMR solution structure of human Saposin C in the presence of detergent micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-03-22 _Entry.Accession_date 2004-03-22 _Entry.Last_release_date 2004-03-22 _Entry.Original_release_date 2004-03-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Cheryl Hawkins . A. . . 6158 2 Eva 'de Alba' . . . . 6158 3 Nico Tjandra . . . . 6158 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6158 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 6158 '15N chemical shifts' 77 6158 '1H chemical shifts' 547 6158 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 . . 2005-02-21 . original BMRB . 6158 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1SN6 'BMRB Entry Tracking System' 6158 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6158 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15713488 _Citation.Full_citation . _Citation.Title ; Solution structure of human saposin C in a detergent environment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 346 _Citation.Journal_issue 5 _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 1381 _Citation.Page_last 1392 _Citation.Year 2005 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cheryl Hawkins . A. . . 6158 1 2 Eva 'de Alba' . . . . 6158 1 3 Nico Tjandra . . . . 6158 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 6158 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14674747 _Citation.Full_citation ; de Alba E, Weiler S, Tjandra N. Solution structure of human saposin C: pH-dependent interaction with phospholipid vesicles. Biochemistry. 2003 Dec 23;42(50):14729-40. ; _Citation.Title ; Solution structure of human saposin C: pH-dependent interaction with phospholipid vesicles. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 42 _Citation.Journal_issue 50 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-2960 _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 14729 _Citation.Page_last 14740 _Citation.Year 2003 _Citation.Details ; Saposin C binds to membranes to activate lipid degradation in lysosomes. To get insights into saposin C's function, we have determined its three-dimensional structure by NMR and investigated its interaction with phospholipid vesicles. Saposin C adopts the saposin-fold common to other members of the family. In contrast, the electrostatic surface revealed by the NMR structure is remarkably different. We suggest that charge distribution in the protein surface can modulate membrane interaction leading to the functional diversity of this family. We find that the binding of saposin C to phospholipid vesicles is a pH-controlled reversible process. The pH dependence of this interaction is sigmoidal, with an apparent pK(a) for binding close to 5.3. The pK(a) values of many solvent-exposed Glu residues are anomalously high and close to the binding pK(a). Our NMR data are consistent with the absence of a conformational change prior to membrane binding. All this information suggests that the negatively charged electrostatic surface of saposin C needs to be partially neutralized to trigger membrane binding. We have studied the membrane-binding behavior of a mutant of saposin C designed to decrease the negative charge of the electrostatic surface. The results support our conclusion on the importance of protein surface neutralization in binding. Since saposin C is a lysosomal protein and pH gradients occur in lysosomes, we propose that lipid degradation in the lysosome could be switched on and off by saposin C's reversible binding to membranes. ; 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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Eva 'de Alba' E. . . . 6158 2 2 Solly Weiler S. . . . 6158 2 3 Nico Tjandra N. . . . 6158 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_saposin_C _Assembly.Sf_category assembly _Assembly.Sf_framecode system_saposin_C _Assembly.Entry_ID 6158 _Assembly.ID 1 _Assembly.Name 'saposin C' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _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 6158 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 'saposin C' 1 $saposin_C . . . native . . . . . 6158 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 5 5 SG . 1 . 1 CYS 78 78 SG . . . . . . . . . . . . 6158 1 2 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 72 72 SG . . . . . . . . . . . . 6158 1 3 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . . . 6158 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1SN6 . . . . . . 6158 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'saposin C' abbreviation 6158 1 'saposin C' system 6158 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_saposin_C _Entity.Sf_category entity _Entity.Sf_framecode saposin_C _Entity.Entry_ID 6158 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'saposin C' _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 ; SDVYCEVCEFLVKEVTKLID NNKTEKEILDAFDKMCSKLP KSLSEECQEVVDTYGSSILS ILLEEVSPELVCSMLHLCSG LVPR ; _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 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 1 no BMRB 5465 . 'SAPOSIN C' . . . . . 100.00 84 100.00 100.00 1.81e-39 . . . . 6158 1 2 no BMRB 5951 . 'saposin C' . . . . . 95.24 87 100.00 100.00 3.23e-37 . . . . 6158 1 3 no PDB 1M12 . 'Nmr Solution Structure Of Human Saposin C' . . . . . 98.81 84 100.00 100.00 1.18e-38 . . . . 6158 1 4 no PDB 1SN6 . 'Nmr Solution Structure Of Human Saposin C In Sds Micelles' . . . . . 98.81 84 100.00 100.00 1.18e-38 . . . . 6158 1 5 no PDB 2GTG . 'Crystal Structure Of Human Saposin C' . . . . . 95.24 83 100.00 100.00 5.46e-37 . . . . 6158 1 6 no PDB 2QYP . 'Orthorhombic Crystal Structure Of Human Saposin C Dimer In Open Conformation' . . . . . 95.24 91 100.00 100.00 2.47e-37 . . . . 6158 1 7 no PDB 2Z9A . 'Crystal Structure Of Human Saposin C Dimer In Open Conformation' . . . . . 94.05 88 100.00 100.00 2.07e-36 . . . . 6158 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'saposin C' abbreviation 6158 1 'saposin C' common 6158 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 SER . 6158 1 2 2 ASP . 6158 1 3 3 VAL . 6158 1 4 4 TYR . 6158 1 5 5 CYS . 6158 1 6 6 GLU . 6158 1 7 7 VAL . 6158 1 8 8 CYS . 6158 1 9 9 GLU . 6158 1 10 10 PHE . 6158 1 11 11 LEU . 6158 1 12 12 VAL . 6158 1 13 13 LYS . 6158 1 14 14 GLU . 6158 1 15 15 VAL . 6158 1 16 16 THR . 6158 1 17 17 LYS . 6158 1 18 18 LEU . 6158 1 19 19 ILE . 6158 1 20 20 ASP . 6158 1 21 21 ASN . 6158 1 22 22 ASN . 6158 1 23 23 LYS . 6158 1 24 24 THR . 6158 1 25 25 GLU . 6158 1 26 26 LYS . 6158 1 27 27 GLU . 6158 1 28 28 ILE . 6158 1 29 29 LEU . 6158 1 30 30 ASP . 6158 1 31 31 ALA . 6158 1 32 32 PHE . 6158 1 33 33 ASP . 6158 1 34 34 LYS . 6158 1 35 35 MET . 6158 1 36 36 CYS . 6158 1 37 37 SER . 6158 1 38 38 LYS . 6158 1 39 39 LEU . 6158 1 40 40 PRO . 6158 1 41 41 LYS . 6158 1 42 42 SER . 6158 1 43 43 LEU . 6158 1 44 44 SER . 6158 1 45 45 GLU . 6158 1 46 46 GLU . 6158 1 47 47 CYS . 6158 1 48 48 GLN . 6158 1 49 49 GLU . 6158 1 50 50 VAL . 6158 1 51 51 VAL . 6158 1 52 52 ASP . 6158 1 53 53 THR . 6158 1 54 54 TYR . 6158 1 55 55 GLY . 6158 1 56 56 SER . 6158 1 57 57 SER . 6158 1 58 58 ILE . 6158 1 59 59 LEU . 6158 1 60 60 SER . 6158 1 61 61 ILE . 6158 1 62 62 LEU . 6158 1 63 63 LEU . 6158 1 64 64 GLU . 6158 1 65 65 GLU . 6158 1 66 66 VAL . 6158 1 67 67 SER . 6158 1 68 68 PRO . 6158 1 69 69 GLU . 6158 1 70 70 LEU . 6158 1 71 71 VAL . 6158 1 72 72 CYS . 6158 1 73 73 SER . 6158 1 74 74 MET . 6158 1 75 75 LEU . 6158 1 76 76 HIS . 6158 1 77 77 LEU . 6158 1 78 78 CYS . 6158 1 79 79 SER . 6158 1 80 80 GLY . 6158 1 81 81 LEU . 6158 1 82 82 VAL . 6158 1 83 83 PRO . 6158 1 84 84 ARG . 6158 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 6158 1 . ASP 2 2 6158 1 . VAL 3 3 6158 1 . TYR 4 4 6158 1 . CYS 5 5 6158 1 . GLU 6 6 6158 1 . VAL 7 7 6158 1 . CYS 8 8 6158 1 . GLU 9 9 6158 1 . PHE 10 10 6158 1 . LEU 11 11 6158 1 . VAL 12 12 6158 1 . LYS 13 13 6158 1 . GLU 14 14 6158 1 . VAL 15 15 6158 1 . THR 16 16 6158 1 . LYS 17 17 6158 1 . LEU 18 18 6158 1 . ILE 19 19 6158 1 . ASP 20 20 6158 1 . ASN 21 21 6158 1 . ASN 22 22 6158 1 . LYS 23 23 6158 1 . THR 24 24 6158 1 . GLU 25 25 6158 1 . LYS 26 26 6158 1 . GLU 27 27 6158 1 . ILE 28 28 6158 1 . LEU 29 29 6158 1 . ASP 30 30 6158 1 . ALA 31 31 6158 1 . PHE 32 32 6158 1 . ASP 33 33 6158 1 . LYS 34 34 6158 1 . MET 35 35 6158 1 . CYS 36 36 6158 1 . SER 37 37 6158 1 . LYS 38 38 6158 1 . LEU 39 39 6158 1 . PRO 40 40 6158 1 . LYS 41 41 6158 1 . SER 42 42 6158 1 . LEU 43 43 6158 1 . SER 44 44 6158 1 . GLU 45 45 6158 1 . GLU 46 46 6158 1 . CYS 47 47 6158 1 . GLN 48 48 6158 1 . GLU 49 49 6158 1 . VAL 50 50 6158 1 . VAL 51 51 6158 1 . ASP 52 52 6158 1 . THR 53 53 6158 1 . TYR 54 54 6158 1 . GLY 55 55 6158 1 . SER 56 56 6158 1 . SER 57 57 6158 1 . ILE 58 58 6158 1 . LEU 59 59 6158 1 . SER 60 60 6158 1 . ILE 61 61 6158 1 . LEU 62 62 6158 1 . LEU 63 63 6158 1 . GLU 64 64 6158 1 . GLU 65 65 6158 1 . VAL 66 66 6158 1 . SER 67 67 6158 1 . PRO 68 68 6158 1 . GLU 69 69 6158 1 . LEU 70 70 6158 1 . VAL 71 71 6158 1 . CYS 72 72 6158 1 . SER 73 73 6158 1 . MET 74 74 6158 1 . LEU 75 75 6158 1 . HIS 76 76 6158 1 . LEU 77 77 6158 1 . CYS 78 78 6158 1 . SER 79 79 6158 1 . GLY 80 80 6158 1 . LEU 81 81 6158 1 . VAL 82 82 6158 1 . PRO 83 83 6158 1 . ARG 84 84 6158 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 6158 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $saposin_C . 9606 . . 'Homo sapien' Human . . Eukaryota Metazoa Homo sapien . . . . . . . . lysosome . pET-30b PSAP . 6158 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 6158 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $saposin_C . 'recombinant technology' . . . . . . . . . . . . . . . 'Expressed from pET-30b in E. coli strain BL21(DE3).' 6158 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6158 _Sample.ID 1 _Sample.Type micelles _Sample.Sub_type . _Sample.Details '25 mM sodium dodecyl sulfate was the micelle material' _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 'saposin C' '[U-100% 13C; U-100% 15N]' . . 1 $saposin_C . . 1.0 . . mM . . . . 6158 1 2 'sodium dodecyl sulfate' . . . . . . . 25 . . mM . . . . 6158 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6158 _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 6.8 0.1 pH 6158 1 temperature 298 1 K 6158 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6158 _Software.ID 1 _Software.Type . _Software.Name xwinnmr _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition' 6158 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 6158 _Software.ID 2 _Software.Type . _Software.Name PIPP _Software.Version 4.2.8 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data assignment' 6158 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6158 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6158 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 6158 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 6158 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 6158 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 6158 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 6158 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 6158 _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 CBCACONH . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6158 1 2 CBCANH . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6158 1 3 HNCO-ge . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6158 1 4 dipsi-(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6158 1 5 HBHACONH . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6158 1 6 H-dipsi-(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6158 1 7 '15N-edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6158 1 8 '15N-13C-edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6158 1 9 '13C-13C-edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 6158 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 6158 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 6158 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6158 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 6158 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 6158 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 CBCACONH 1 $sample_1 . 6158 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER CA C 13 56.793 0.27 . 1 . . . . . 1 . . . 6158 1 2 . 1 1 1 1 SER HA H 1 4.200 0.10 . 1 . . . . . 1 . . . 6158 1 3 . 1 1 1 1 SER CB C 13 62.892 0.27 . 1 . . . . . 1 . . . 6158 1 4 . 1 1 1 1 SER HB3 H 1 3.938 0.10 . 2 . . . . . 1 . . . 6158 1 5 . 1 1 1 1 SER HB2 H 1 4.033 0.10 . 2 . . . . . 1 . . . 6158 1 6 . 1 1 2 2 ASP CA C 13 54.865 0.27 . 1 . . . . . 2 . . . 6158 1 7 . 1 1 2 2 ASP HA H 1 4.812 0.10 . 1 . . . . . 2 . . . 6158 1 8 . 1 1 2 2 ASP C C 13 176.862 0.05 . 1 . . . . . 2 . . . 6158 1 9 . 1 1 2 2 ASP CB C 13 40.861 0.27 . 1 . . . . . 2 . . . 6158 1 10 . 1 1 2 2 ASP HB3 H 1 2.654 0.10 . 2 . . . . . 2 . . . 6158 1 11 . 1 1 2 2 ASP HB2 H 1 2.849 0.10 . 2 . . . . . 2 . . . 6158 1 12 . 1 1 3 3 VAL H H 1 7.973 0.01 . 1 . . . . . 3 . . . 6158 1 13 . 1 1 3 3 VAL N N 15 120.282 0.05 . 1 . . . . . 3 . . . 6158 1 14 . 1 1 3 3 VAL CA C 13 65.724 0.27 . 1 . . . . . 3 . . . 6158 1 15 . 1 1 3 3 VAL HA H 1 3.742 0.10 . 1 . . . . . 3 . . . 6158 1 16 . 1 1 3 3 VAL C C 13 176.772 0.05 . 1 . . . . . 3 . . . 6158 1 17 . 1 1 3 3 VAL CB C 13 31.454 0.27 . 1 . . . . . 3 . . . 6158 1 18 . 1 1 3 3 VAL HB H 1 1.861 0.10 . 1 . . . . . 3 . . . 6158 1 19 . 1 1 3 3 VAL CG1 C 13 21.927 0.27 . 2 . . . . . 3 . . . 6158 1 20 . 1 1 3 3 VAL HG11 H 1 0.880 0.10 . 2 . . . . . 3 . . . 6158 1 21 . 1 1 3 3 VAL HG12 H 1 0.880 0.10 . 2 . . . . . 3 . . . 6158 1 22 . 1 1 3 3 VAL HG13 H 1 0.880 0.10 . 2 . . . . . 3 . . . 6158 1 23 . 1 1 3 3 VAL CG2 C 13 20.703 0.27 . 2 . . . . . 3 . . . 6158 1 24 . 1 1 3 3 VAL HG21 H 1 0.663 0.10 . 2 . . . . . 3 . . . 6158 1 25 . 1 1 3 3 VAL HG22 H 1 0.663 0.10 . 2 . . . . . 3 . . . 6158 1 26 . 1 1 3 3 VAL HG23 H 1 0.663 0.10 . 2 . . . . . 3 . . . 6158 1 27 . 1 1 4 4 TYR H H 1 8.067 0.01 . 1 . . . . . 4 . . . 6158 1 28 . 1 1 4 4 TYR N N 15 117.833 0.05 . 1 . . . . . 4 . . . 6158 1 29 . 1 1 4 4 TYR CA C 13 59.491 0.27 . 1 . . . . . 4 . . . 6158 1 30 . 1 1 4 4 TYR HA H 1 4.380 0.10 . 1 . . . . . 4 . . . 6158 1 31 . 1 1 4 4 TYR C C 13 177.169 0.05 . 1 . . . . . 4 . . . 6158 1 32 . 1 1 4 4 TYR CB C 13 37.135 0.27 . 1 . . . . . 4 . . . 6158 1 33 . 1 1 4 4 TYR CD1 C 13 131.755 0.27 . 1 . . . . . 4 . . . 6158 1 34 . 1 1 4 4 TYR HD1 H 1 7.053 0.10 . 1 . . . . . 4 . . . 6158 1 35 . 1 1 4 4 TYR CD2 C 13 131.755 0.27 . 1 . . . . . 4 . . . 6158 1 36 . 1 1 4 4 TYR HD2 H 1 7.053 0.10 . 1 . . . . . 4 . . . 6158 1 37 . 1 1 4 4 TYR CE1 C 13 118.241 0.27 . 1 . . . . . 4 . . . 6158 1 38 . 1 1 4 4 TYR HE1 H 1 6.824 0.10 . 1 . . . . . 4 . . . 6158 1 39 . 1 1 4 4 TYR CE2 C 13 118.241 0.27 . 1 . . . . . 4 . . . 6158 1 40 . 1 1 4 4 TYR HE2 H 1 6.824 0.10 . 1 . . . . . 4 . . . 6158 1 41 . 1 1 4 4 TYR HB2 H 1 3.174 0.10 . 1 . . . . . 4 . . . 6158 1 42 . 1 1 5 5 CYS H H 1 7.759 0.01 . 1 . . . . . 5 . . . 6158 1 43 . 1 1 5 5 CYS N N 15 117.889 0.05 . 1 . . . . . 5 . . . 6158 1 44 . 1 1 5 5 CYS CA C 13 58.507 0.27 . 1 . . . . . 5 . . . 6158 1 45 . 1 1 5 5 CYS HA H 1 4.277 0.10 . 1 . . . . . 5 . . . 6158 1 46 . 1 1 5 5 CYS C C 13 175.952 0.05 . 1 . . . . . 5 . . . 6158 1 47 . 1 1 5 5 CYS CB C 13 38.613 0.27 . 1 . . . . . 5 . . . 6158 1 48 . 1 1 5 5 CYS HB3 H 1 3.031 0.10 . 2 . . . . . 5 . . . 6158 1 49 . 1 1 5 5 CYS HB2 H 1 3.777 0.10 . 2 . . . . . 5 . . . 6158 1 50 . 1 1 6 6 GLU H H 1 8.283 0.01 . 1 . . . . . 6 . . . 6158 1 51 . 1 1 6 6 GLU N N 15 118.358 0.05 . 1 . . . . . 6 . . . 6158 1 52 . 1 1 6 6 GLU CA C 13 59.368 0.27 . 1 . . . . . 6 . . . 6158 1 53 . 1 1 6 6 GLU HA H 1 4.129 0.10 . 1 . . . . . 6 . . . 6158 1 54 . 1 1 6 6 GLU C C 13 180.117 0.05 . 1 . . . . . 6 . . . 6158 1 55 . 1 1 6 6 GLU CB C 13 28.432 0.27 . 1 . . . . . 6 . . . 6158 1 56 . 1 1 6 6 GLU CG C 13 34.913 0.27 . 1 . . . . . 6 . . . 6158 1 57 . 1 1 6 6 GLU HB2 H 1 2.150 0.10 . 1 . . . . . 6 . . . 6158 1 58 . 1 1 6 6 GLU HG2 H 1 2.447 0.10 . 1 . . . . . 6 . . . 6158 1 59 . 1 1 7 7 VAL H H 1 8.423 0.01 . 1 . . . . . 7 . . . 6158 1 60 . 1 1 7 7 VAL N N 15 119.498 0.05 . 1 . . . . . 7 . . . 6158 1 61 . 1 1 7 7 VAL CA C 13 66.720 0.27 . 1 . . . . . 7 . . . 6158 1 62 . 1 1 7 7 VAL HA H 1 3.779 0.10 . 1 . . . . . 7 . . . 6158 1 63 . 1 1 7 7 VAL C C 13 176.713 0.05 . 1 . . . . . 7 . . . 6158 1 64 . 1 1 7 7 VAL CB C 13 31.406 0.27 . 1 . . . . . 7 . . . 6158 1 65 . 1 1 7 7 VAL HB H 1 2.226 0.10 . 1 . . . . . 7 . . . 6158 1 66 . 1 1 7 7 VAL CG1 C 13 23.348 0.27 . 2 . . . . . 7 . . . 6158 1 67 . 1 1 7 7 VAL HG11 H 1 1.104 0.10 . 2 . . . . . 7 . . . 6158 1 68 . 1 1 7 7 VAL HG12 H 1 1.104 0.10 . 2 . . . . . 7 . . . 6158 1 69 . 1 1 7 7 VAL HG13 H 1 1.104 0.10 . 2 . . . . . 7 . . . 6158 1 70 . 1 1 7 7 VAL CG2 C 13 21.728 0.27 . 2 . . . . . 7 . . . 6158 1 71 . 1 1 7 7 VAL HG21 H 1 0.999 0.10 . 2 . . . . . 7 . . . 6158 1 72 . 1 1 7 7 VAL HG22 H 1 0.999 0.10 . 2 . . . . . 7 . . . 6158 1 73 . 1 1 7 7 VAL HG23 H 1 0.999 0.10 . 2 . . . . . 7 . . . 6158 1 74 . 1 1 8 8 CYS H H 1 8.269 0.01 . 1 . . . . . 8 . . . 6158 1 75 . 1 1 8 8 CYS N N 15 119.244 0.05 . 1 . . . . . 8 . . . 6158 1 76 . 1 1 8 8 CYS CA C 13 61.675 0.27 . 1 . . . . . 8 . . . 6158 1 77 . 1 1 8 8 CYS HA H 1 4.005 0.10 . 1 . . . . . 8 . . . 6158 1 78 . 1 1 8 8 CYS C C 13 175.253 0.05 . 1 . . . . . 8 . . . 6158 1 79 . 1 1 8 8 CYS CB C 13 41.186 0.27 . 1 . . . . . 8 . . . 6158 1 80 . 1 1 8 8 CYS HB3 H 1 3.174 0.10 . 2 . . . . . 8 . . . 6158 1 81 . 1 1 8 8 CYS HB2 H 1 3.613 0.10 . 2 . . . . . 8 . . . 6158 1 82 . 1 1 9 9 GLU H H 1 8.797 0.01 . 1 . . . . . 9 . . . 6158 1 83 . 1 1 9 9 GLU N N 15 119.089 0.05 . 1 . . . . . 9 . . . 6158 1 84 . 1 1 9 9 GLU CA C 13 60.080 0.27 . 1 . . . . . 9 . . . 6158 1 85 . 1 1 9 9 GLU HA H 1 3.770 0.10 . 1 . . . . . 9 . . . 6158 1 86 . 1 1 9 9 GLU C C 13 178.607 0.05 . 1 . . . . . 9 . . . 6158 1 87 . 1 1 9 9 GLU CB C 13 29.061 0.27 . 1 . . . . . 9 . . . 6158 1 88 . 1 1 9 9 GLU HB3 H 1 2.047 0.10 . 2 . . . . . 9 . . . 6158 1 89 . 1 1 9 9 GLU CG C 13 35.459 0.27 . 1 . . . . . 9 . . . 6158 1 90 . 1 1 9 9 GLU HB2 H 1 2.296 0.10 . 2 . . . . . 9 . . . 6158 1 91 . 1 1 9 9 GLU HG2 H 1 2.814 0.10 . 1 . . . . . 9 . . . 6158 1 92 . 1 1 10 10 PHE H H 1 8.074 0.01 . 1 . . . . . 10 . . . 6158 1 93 . 1 1 10 10 PHE N N 15 119.588 0.05 . 1 . . . . . 10 . . . 6158 1 94 . 1 1 10 10 PHE CA C 13 61.317 0.27 . 1 . . . . . 10 . . . 6158 1 95 . 1 1 10 10 PHE HA H 1 4.275 0.10 . 1 . . . . . 10 . . . 6158 1 96 . 1 1 10 10 PHE C C 13 176.935 0.05 . 1 . . . . . 10 . . . 6158 1 97 . 1 1 10 10 PHE CB C 13 39.415 0.27 . 1 . . . . . 10 . . . 6158 1 98 . 1 1 10 10 PHE HB3 H 1 3.279 0.10 . 2 . . . . . 10 . . . 6158 1 99 . 1 1 10 10 PHE CD1 C 13 131.947 0.27 . 1 . . . . . 10 . . . 6158 1 100 . 1 1 10 10 PHE HD1 H 1 7.227 0.10 . 1 . . . . . 10 . . . 6158 1 101 . 1 1 10 10 PHE CD2 C 13 131.947 0.27 . 1 . . . . . 10 . . . 6158 1 102 . 1 1 10 10 PHE HD2 H 1 7.227 0.10 . 1 . . . . . 10 . . . 6158 1 103 . 1 1 10 10 PHE CE1 C 13 130.934 0.27 . 1 . . . . . 10 . . . 6158 1 104 . 1 1 10 10 PHE HE1 H 1 7.237 0.10 . 1 . . . . . 10 . . . 6158 1 105 . 1 1 10 10 PHE CE2 C 13 130.934 0.27 . 1 . . . . . 10 . . . 6158 1 106 . 1 1 10 10 PHE HE2 H 1 7.237 0.10 . 1 . . . . . 10 . . . 6158 1 107 . 1 1 10 10 PHE CZ C 13 129.637 0.27 . 1 . . . . . 10 . . . 6158 1 108 . 1 1 10 10 PHE HZ H 1 7.199 0.10 . 1 . . . . . 10 . . . 6158 1 109 . 1 1 10 10 PHE HB2 H 1 3.388 0.10 . 2 . . . . . 10 . . . 6158 1 110 . 1 1 11 11 LEU H H 1 8.520 0.01 . 1 . . . . . 11 . . . 6158 1 111 . 1 1 11 11 LEU N N 15 119.083 0.05 . 1 . . . . . 11 . . . 6158 1 112 . 1 1 11 11 LEU CA C 13 58.249 0.27 . 1 . . . . . 11 . . . 6158 1 113 . 1 1 11 11 LEU HA H 1 3.805 0.10 . 1 . . . . . 11 . . . 6158 1 114 . 1 1 11 11 LEU C C 13 178.800 0.05 . 1 . . . . . 11 . . . 6158 1 115 . 1 1 11 11 LEU CB C 13 41.829 0.27 . 1 . . . . . 11 . . . 6158 1 116 . 1 1 11 11 LEU HB3 H 1 1.433 0.10 . 2 . . . . . 11 . . . 6158 1 117 . 1 1 11 11 LEU CG C 13 26.827 0.27 . 1 . . . . . 11 . . . 6158 1 118 . 1 1 11 11 LEU CD1 C 13 25.868 0.27 . 2 . . . . . 11 . . . 6158 1 119 . 1 1 11 11 LEU HD11 H 1 0.868 0.10 . 2 . . . . . 11 . . . 6158 1 120 . 1 1 11 11 LEU HD12 H 1 0.868 0.10 . 2 . . . . . 11 . . . 6158 1 121 . 1 1 11 11 LEU HD13 H 1 0.868 0.10 . 2 . . . . . 11 . . . 6158 1 122 . 1 1 11 11 LEU CD2 C 13 22.983 0.27 . 2 . . . . . 11 . . . 6158 1 123 . 1 1 11 11 LEU HD21 H 1 0.902 0.10 . 2 . . . . . 11 . . . 6158 1 124 . 1 1 11 11 LEU HD22 H 1 0.902 0.10 . 2 . . . . . 11 . . . 6158 1 125 . 1 1 11 11 LEU HD23 H 1 0.902 0.10 . 2 . . . . . 11 . . . 6158 1 126 . 1 1 11 11 LEU HG H 1 2.068 0.10 . 1 . . . . . 11 . . . 6158 1 127 . 1 1 11 11 LEU HB2 H 1 2.047 0.10 . 2 . . . . . 11 . . . 6158 1 128 . 1 1 12 12 VAL H H 1 8.711 0.01 . 1 . . . . . 12 . . . 6158 1 129 . 1 1 12 12 VAL N N 15 117.571 0.05 . 1 . . . . . 12 . . . 6158 1 130 . 1 1 12 12 VAL CA C 13 67.264 0.27 . 1 . . . . . 12 . . . 6158 1 131 . 1 1 12 12 VAL HA H 1 3.416 0.10 . 1 . . . . . 12 . . . 6158 1 132 . 1 1 12 12 VAL C C 13 178.536 0.05 . 1 . . . . . 12 . . . 6158 1 133 . 1 1 12 12 VAL CB C 13 31.435 0.27 . 1 . . . . . 12 . . . 6158 1 134 . 1 1 12 12 VAL HB H 1 2.154 0.10 . 1 . . . . . 12 . . . 6158 1 135 . 1 1 12 12 VAL CG1 C 13 23.591 0.27 . 2 . . . . . 12 . . . 6158 1 136 . 1 1 12 12 VAL HG11 H 1 1.087 0.10 . 2 . . . . . 12 . . . 6158 1 137 . 1 1 12 12 VAL HG12 H 1 1.087 0.10 . 2 . . . . . 12 . . . 6158 1 138 . 1 1 12 12 VAL HG13 H 1 1.087 0.10 . 2 . . . . . 12 . . . 6158 1 139 . 1 1 12 12 VAL CG2 C 13 21.929 0.27 . 2 . . . . . 12 . . . 6158 1 140 . 1 1 12 12 VAL HG21 H 1 0.872 0.10 . 2 . . . . . 12 . . . 6158 1 141 . 1 1 12 12 VAL HG22 H 1 0.872 0.10 . 2 . . . . . 12 . . . 6158 1 142 . 1 1 12 12 VAL HG23 H 1 0.872 0.10 . 2 . . . . . 12 . . . 6158 1 143 . 1 1 13 13 LYS H H 1 7.973 0.01 . 1 . . . . . 13 . . . 6158 1 144 . 1 1 13 13 LYS N N 15 120.283 0.05 . 1 . . . . . 13 . . . 6158 1 145 . 1 1 13 13 LYS CA C 13 59.732 0.27 . 1 . . . . . 13 . . . 6158 1 146 . 1 1 13 13 LYS HA H 1 3.945 0.10 . 1 . . . . . 13 . . . 6158 1 147 . 1 1 13 13 LYS C C 13 179.165 0.05 . 1 . . . . . 13 . . . 6158 1 148 . 1 1 13 13 LYS CB C 13 31.947 0.27 . 1 . . . . . 13 . . . 6158 1 149 . 1 1 13 13 LYS CG C 13 25.104 0.27 . 1 . . . . . 13 . . . 6158 1 150 . 1 1 13 13 LYS CD C 13 29.244 0.27 . 1 . . . . . 13 . . . 6158 1 151 . 1 1 13 13 LYS CE C 13 41.757 0.27 . 1 . . . . . 13 . . . 6158 1 152 . 1 1 13 13 LYS HB2 H 1 1.941 0.10 . 1 . . . . . 13 . . . 6158 1 153 . 1 1 13 13 LYS HG2 H 1 1.396 0.10 . 1 . . . . . 13 . . . 6158 1 154 . 1 1 13 13 LYS HD2 H 1 1.692 0.10 . 1 . . . . . 13 . . . 6158 1 155 . 1 1 13 13 LYS HE2 H 1 2.932 0.10 . 1 . . . . . 13 . . . 6158 1 156 . 1 1 14 14 GLU H H 1 8.067 0.01 . 1 . . . . . 14 . . . 6158 1 157 . 1 1 14 14 GLU N N 15 117.833 0.05 . 1 . . . . . 14 . . . 6158 1 158 . 1 1 14 14 GLU CA C 13 58.335 0.27 . 1 . . . . . 14 . . . 6158 1 159 . 1 1 14 14 GLU HA H 1 3.963 0.10 . 1 . . . . . 14 . . . 6158 1 160 . 1 1 14 14 GLU C C 13 178.506 0.05 . 1 . . . . . 14 . . . 6158 1 161 . 1 1 14 14 GLU CB C 13 28.577 0.27 . 1 . . . . . 14 . . . 6158 1 162 . 1 1 14 14 GLU HB3 H 1 1.789 0.10 . 2 . . . . . 14 . . . 6158 1 163 . 1 1 14 14 GLU CG C 13 34.480 0.27 . 1 . . . . . 14 . . . 6158 1 164 . 1 1 14 14 GLU HB2 H 1 1.927 0.10 . 2 . . . . . 14 . . . 6158 1 165 . 1 1 15 15 VAL H H 1 8.496 0.01 . 1 . . . . . 15 . . . 6158 1 166 . 1 1 15 15 VAL N N 15 118.372 0.05 . 1 . . . . . 15 . . . 6158 1 167 . 1 1 15 15 VAL CA C 13 66.658 0.27 . 1 . . . . . 15 . . . 6158 1 168 . 1 1 15 15 VAL HA H 1 3.612 0.10 . 1 . . . . . 15 . . . 6158 1 169 . 1 1 15 15 VAL C C 13 177.576 0.05 . 1 . . . . . 15 . . . 6158 1 170 . 1 1 15 15 VAL CB C 13 31.199 0.27 . 1 . . . . . 15 . . . 6158 1 171 . 1 1 15 15 VAL HB H 1 2.164 0.10 . 1 . . . . . 15 . . . 6158 1 172 . 1 1 15 15 VAL CG1 C 13 23.432 0.27 . 2 . . . . . 15 . . . 6158 1 173 . 1 1 15 15 VAL HG11 H 1 1.035 0.10 . 2 . . . . . 15 . . . 6158 1 174 . 1 1 15 15 VAL HG12 H 1 1.035 0.10 . 2 . . . . . 15 . . . 6158 1 175 . 1 1 15 15 VAL HG13 H 1 1.035 0.10 . 2 . . . . . 15 . . . 6158 1 176 . 1 1 15 15 VAL CG2 C 13 21.776 0.27 . 2 . . . . . 15 . . . 6158 1 177 . 1 1 15 15 VAL HG21 H 1 0.941 0.10 . 2 . . . . . 15 . . . 6158 1 178 . 1 1 15 15 VAL HG22 H 1 0.941 0.10 . 2 . . . . . 15 . . . 6158 1 179 . 1 1 15 15 VAL HG23 H 1 0.941 0.10 . 2 . . . . . 15 . . . 6158 1 180 . 1 1 16 16 THR H H 1 7.942 0.01 . 1 . . . . . 16 . . . 6158 1 181 . 1 1 16 16 THR N N 15 111.951 0.05 . 1 . . . . . 16 . . . 6158 1 182 . 1 1 16 16 THR CA C 13 66.667 0.27 . 1 . . . . . 16 . . . 6158 1 183 . 1 1 16 16 THR HA H 1 3.799 0.10 . 1 . . . . . 16 . . . 6158 1 184 . 1 1 16 16 THR C C 13 176.188 0.05 . 1 . . . . . 16 . . . 6158 1 185 . 1 1 16 16 THR CB C 13 68.348 0.27 . 1 . . . . . 16 . . . 6158 1 186 . 1 1 16 16 THR HB H 1 4.298 0.10 . 1 . . . . . 16 . . . 6158 1 187 . 1 1 16 16 THR CG2 C 13 21.515 0.27 . 1 . . . . . 16 . . . 6158 1 188 . 1 1 16 16 THR HG21 H 1 1.290 0.10 . 1 . . . . . 16 . . . 6158 1 189 . 1 1 16 16 THR HG22 H 1 1.290 0.10 . 1 . . . . . 16 . . . 6158 1 190 . 1 1 16 16 THR HG23 H 1 1.290 0.10 . 1 . . . . . 16 . . . 6158 1 191 . 1 1 17 17 LYS H H 1 7.400 0.01 . 1 . . . . . 17 . . . 6158 1 192 . 1 1 17 17 LYS N N 15 120.110 0.05 . 1 . . . . . 17 . . . 6158 1 193 . 1 1 17 17 LYS CA C 13 59.019 0.27 . 1 . . . . . 17 . . . 6158 1 194 . 1 1 17 17 LYS HA H 1 4.088 0.10 . 1 . . . . . 17 . . . 6158 1 195 . 1 1 17 17 LYS C C 13 178.044 0.05 . 1 . . . . . 17 . . . 6158 1 196 . 1 1 17 17 LYS CB C 13 32.447 0.27 . 1 . . . . . 17 . . . 6158 1 197 . 1 1 17 17 LYS CG C 13 25.110 0.27 . 1 . . . . . 17 . . . 6158 1 198 . 1 1 17 17 LYS HG3 H 1 1.417 0.10 . 2 . . . . . 17 . . . 6158 1 199 . 1 1 17 17 LYS CD C 13 29.584 0.27 . 1 . . . . . 17 . . . 6158 1 200 . 1 1 17 17 LYS HB2 H 1 1.915 0.10 . 1 . . . . . 17 . . . 6158 1 201 . 1 1 17 17 LYS HG2 H 1 1.592 0.10 . 2 . . . . . 17 . . . 6158 1 202 . 1 1 17 17 LYS HD2 H 1 1.655 0.10 . 1 . . . . . 17 . . . 6158 1 203 . 1 1 17 17 LYS HE2 H 1 2.884 0.10 . 1 . . . . . 17 . . . 6158 1 204 . 1 1 18 18 LEU H H 1 7.632 0.01 . 1 . . . . . 18 . . . 6158 1 205 . 1 1 18 18 LEU N N 15 117.901 0.05 . 1 . . . . . 18 . . . 6158 1 206 . 1 1 18 18 LEU CA C 13 56.633 0.27 . 1 . . . . . 18 . . . 6158 1 207 . 1 1 18 18 LEU HA H 1 4.122 0.10 . 1 . . . . . 18 . . . 6158 1 208 . 1 1 18 18 LEU C C 13 177.810 0.05 . 1 . . . . . 18 . . . 6158 1 209 . 1 1 18 18 LEU CB C 13 42.564 0.27 . 1 . . . . . 18 . . . 6158 1 210 . 1 1 18 18 LEU HB3 H 1 1.645 0.10 . 2 . . . . . 18 . . . 6158 1 211 . 1 1 18 18 LEU CG C 13 26.619 0.27 . 1 . . . . . 18 . . . 6158 1 212 . 1 1 18 18 LEU CD1 C 13 25.423 0.27 . 2 . . . . . 18 . . . 6158 1 213 . 1 1 18 18 LEU HD11 H 1 0.915 0.10 . 2 . . . . . 18 . . . 6158 1 214 . 1 1 18 18 LEU HD12 H 1 0.915 0.10 . 2 . . . . . 18 . . . 6158 1 215 . 1 1 18 18 LEU HD13 H 1 0.915 0.10 . 2 . . . . . 18 . . . 6158 1 216 . 1 1 18 18 LEU CD2 C 13 23.596 0.27 . 2 . . . . . 18 . . . 6158 1 217 . 1 1 18 18 LEU HD21 H 1 0.876 0.10 . 2 . . . . . 18 . . . 6158 1 218 . 1 1 18 18 LEU HD22 H 1 0.876 0.10 . 2 . . . . . 18 . . . 6158 1 219 . 1 1 18 18 LEU HD23 H 1 0.876 0.10 . 2 . . . . . 18 . . . 6158 1 220 . 1 1 18 18 LEU HG H 1 1.825 0.10 . 1 . . . . . 18 . . . 6158 1 221 . 1 1 18 18 LEU HB2 H 1 1.949 0.10 . 2 . . . . . 18 . . . 6158 1 222 . 1 1 19 19 ILE H H 1 7.459 0.01 . 1 . . . . . 19 . . . 6158 1 223 . 1 1 19 19 ILE N N 15 116.846 0.05 . 1 . . . . . 19 . . . 6158 1 224 . 1 1 19 19 ILE CA C 13 62.666 0.27 . 1 . . . . . 19 . . . 6158 1 225 . 1 1 19 19 ILE HA H 1 3.896 0.10 . 1 . . . . . 19 . . . 6158 1 226 . 1 1 19 19 ILE C C 13 176.022 0.05 . 1 . . . . . 19 . . . 6158 1 227 . 1 1 19 19 ILE CB C 13 38.192 0.27 . 1 . . . . . 19 . . . 6158 1 228 . 1 1 19 19 ILE HB H 1 1.957 0.10 . 1 . . . . . 19 . . . 6158 1 229 . 1 1 19 19 ILE CG2 C 13 17.497 0.27 . 1 . . . . . 19 . . . 6158 1 230 . 1 1 19 19 ILE HG21 H 1 0.878 0.10 . 1 . . . . . 19 . . . 6158 1 231 . 1 1 19 19 ILE HG22 H 1 0.878 0.10 . 1 . . . . . 19 . . . 6158 1 232 . 1 1 19 19 ILE HG23 H 1 0.878 0.10 . 1 . . . . . 19 . . . 6158 1 233 . 1 1 19 19 ILE CG1 C 13 28.181 0.27 . 1 . . . . . 19 . . . 6158 1 234 . 1 1 19 19 ILE HG12 H 1 1.689 0.10 . 2 . . . . . 19 . . . 6158 1 235 . 1 1 19 19 ILE HG13 H 1 1.162 0.10 . 2 . . . . . 19 . . . 6158 1 236 . 1 1 19 19 ILE CD1 C 13 13.521 0.27 . 1 . . . . . 19 . . . 6158 1 237 . 1 1 19 19 ILE HD11 H 1 0.789 0.10 . 1 . . . . . 19 . . . 6158 1 238 . 1 1 19 19 ILE HD12 H 1 0.789 0.10 . 1 . . . . . 19 . . . 6158 1 239 . 1 1 19 19 ILE HD13 H 1 0.789 0.10 . 1 . . . . . 19 . . . 6158 1 240 . 1 1 20 20 ASP CA C 13 54.021 0.27 . 1 . . . . . 20 . . . 6158 1 241 . 1 1 20 20 ASP HA H 1 4.535 0.10 . 1 . . . . . 20 . . . 6158 1 242 . 1 1 20 20 ASP C C 13 176.399 0.05 . 1 . . . . . 20 . . . 6158 1 243 . 1 1 20 20 ASP CB C 13 41.154 0.27 . 1 . . . . . 20 . . . 6158 1 244 . 1 1 20 20 ASP HB2 H 1 2.742 0.10 . 1 . . . . . 20 . . . 6158 1 245 . 1 1 21 21 ASN H H 1 8.257 0.01 . 1 . . . . . 21 . . . 6158 1 246 . 1 1 21 21 ASN N N 15 118.202 0.05 . 1 . . . . . 21 . . . 6158 1 247 . 1 1 21 21 ASN CA C 13 53.939 0.27 . 1 . . . . . 21 . . . 6158 1 248 . 1 1 21 21 ASN HA H 1 4.575 0.10 . 1 . . . . . 21 . . . 6158 1 249 . 1 1 21 21 ASN C C 13 175.452 0.05 . 1 . . . . . 21 . . . 6158 1 250 . 1 1 21 21 ASN CB C 13 38.418 0.27 . 1 . . . . . 21 . . . 6158 1 251 . 1 1 21 21 ASN ND2 N 15 111.688 0.05 . 1 . . . . . 21 . . . 6158 1 252 . 1 1 21 21 ASN HD21 H 1 6.789 0.10 . 2 . . . . . 21 . . . 6158 1 253 . 1 1 21 21 ASN HD22 H 1 7.573 0.10 . 2 . . . . . 21 . . . 6158 1 254 . 1 1 21 21 ASN HB2 H 1 2.852 0.10 . 1 . . . . . 21 . . . 6158 1 255 . 1 1 22 22 ASN H H 1 8.337 0.01 . 1 . . . . . 22 . . . 6158 1 256 . 1 1 22 22 ASN N N 15 116.406 0.05 . 1 . . . . . 22 . . . 6158 1 257 . 1 1 22 22 ASN CA C 13 53.870 0.27 . 1 . . . . . 22 . . . 6158 1 258 . 1 1 22 22 ASN HA H 1 4.754 0.10 . 1 . . . . . 22 . . . 6158 1 259 . 1 1 22 22 ASN C C 13 175.318 0.05 . 1 . . . . . 22 . . . 6158 1 260 . 1 1 22 22 ASN CB C 13 39.425 0.27 . 1 . . . . . 22 . . . 6158 1 261 . 1 1 22 22 ASN ND2 N 15 113.793 0.05 . 1 . . . . . 22 . . . 6158 1 262 . 1 1 22 22 ASN HD21 H 1 7.776 0.10 . 2 . . . . . 22 . . . 6158 1 263 . 1 1 22 22 ASN HD22 H 1 6.939 0.10 . 2 . . . . . 22 . . . 6158 1 264 . 1 1 22 22 ASN HB2 H 1 2.822 0.10 . 1 . . . . . 22 . . . 6158 1 265 . 1 1 23 23 LYS H H 1 7.869 0.01 . 1 . . . . . 23 . . . 6158 1 266 . 1 1 23 23 LYS N N 15 119.711 0.05 . 1 . . . . . 23 . . . 6158 1 267 . 1 1 23 23 LYS CA C 13 55.400 0.27 . 1 . . . . . 23 . . . 6158 1 268 . 1 1 23 23 LYS HA H 1 4.598 0.10 . 1 . . . . . 23 . . . 6158 1 269 . 1 1 23 23 LYS C C 13 176.337 0.05 . 1 . . . . . 23 . . . 6158 1 270 . 1 1 23 23 LYS CB C 13 33.886 0.27 . 1 . . . . . 23 . . . 6158 1 271 . 1 1 23 23 LYS HB3 H 1 1.727 0.10 . 2 . . . . . 23 . . . 6158 1 272 . 1 1 23 23 LYS CG C 13 25.050 0.27 . 1 . . . . . 23 . . . 6158 1 273 . 1 1 23 23 LYS CD C 13 28.756 0.27 . 1 . . . . . 23 . . . 6158 1 274 . 1 1 23 23 LYS CE C 13 42.330 0.27 . 1 . . . . . 23 . . . 6158 1 275 . 1 1 23 23 LYS HB2 H 1 1.835 0.10 . 2 . . . . . 23 . . . 6158 1 276 . 1 1 23 23 LYS HG2 H 1 1.418 0.10 . 1 . . . . . 23 . . . 6158 1 277 . 1 1 23 23 LYS HD2 H 1 1.656 0.10 . 1 . . . . . 23 . . . 6158 1 278 . 1 1 23 23 LYS HE2 H 1 2.940 0.10 . 1 . . . . . 23 . . . 6158 1 279 . 1 1 24 24 THR H H 1 8.510 0.01 . 1 . . . . . 24 . . . 6158 1 280 . 1 1 24 24 THR N N 15 111.533 0.05 . 1 . . . . . 24 . . . 6158 1 281 . 1 1 24 24 THR CA C 13 60.377 0.27 . 1 . . . . . 24 . . . 6158 1 282 . 1 1 24 24 THR HA H 1 4.480 0.10 . 1 . . . . . 24 . . . 6158 1 283 . 1 1 24 24 THR C C 13 174.889 0.05 . 1 . . . . . 24 . . . 6158 1 284 . 1 1 24 24 THR CB C 13 71.104 0.27 . 1 . . . . . 24 . . . 6158 1 285 . 1 1 24 24 THR HB H 1 4.563 0.10 . 1 . . . . . 24 . . . 6158 1 286 . 1 1 24 24 THR CG2 C 13 21.689 0.27 . 1 . . . . . 24 . . . 6158 1 287 . 1 1 24 24 THR HG21 H 1 1.286 0.10 . 1 . . . . . 24 . . . 6158 1 288 . 1 1 24 24 THR HG22 H 1 1.286 0.10 . 1 . . . . . 24 . . . 6158 1 289 . 1 1 24 24 THR HG23 H 1 1.286 0.10 . 1 . . . . . 24 . . . 6158 1 290 . 1 1 25 25 GLU H H 1 8.747 0.01 . 1 . . . . . 25 . . . 6158 1 291 . 1 1 25 25 GLU N N 15 120.030 0.05 . 1 . . . . . 25 . . . 6158 1 292 . 1 1 25 25 GLU CA C 13 59.977 0.27 . 1 . . . . . 25 . . . 6158 1 293 . 1 1 25 25 GLU HA H 1 3.836 0.10 . 1 . . . . . 25 . . . 6158 1 294 . 1 1 25 25 GLU C C 13 177.230 0.05 . 1 . . . . . 25 . . . 6158 1 295 . 1 1 25 25 GLU CB C 13 29.504 0.27 . 1 . . . . . 25 . . . 6158 1 296 . 1 1 25 25 GLU CG C 13 36.470 0.27 . 1 . . . . . 25 . . . 6158 1 297 . 1 1 25 25 GLU HB2 H 1 2.038 0.10 . 1 . . . . . 25 . . . 6158 1 298 . 1 1 25 25 GLU HG2 H 1 2.185 0.10 . 1 . . . . . 25 . . . 6158 1 299 . 1 1 26 26 LYS H H 1 8.050 0.01 . 1 . . . . . 26 . . . 6158 1 300 . 1 1 26 26 LYS N N 15 117.149 0.05 . 1 . . . . . 26 . . . 6158 1 301 . 1 1 26 26 LYS CA C 13 58.612 0.27 . 1 . . . . . 26 . . . 6158 1 302 . 1 1 26 26 LYS HA H 1 3.965 0.10 . 1 . . . . . 26 . . . 6158 1 303 . 1 1 26 26 LYS C C 13 177.757 0.05 . 1 . . . . . 26 . . . 6158 1 304 . 1 1 26 26 LYS CB C 13 32.240 0.27 . 1 . . . . . 26 . . . 6158 1 305 . 1 1 26 26 LYS HB3 H 1 1.716 0.10 . 2 . . . . . 26 . . . 6158 1 306 . 1 1 26 26 LYS CG C 13 24.458 0.27 . 1 . . . . . 26 . . . 6158 1 307 . 1 1 26 26 LYS CD C 13 29.371 0.27 . 1 . . . . . 26 . . . 6158 1 308 . 1 1 26 26 LYS CE C 13 41.729 0.27 . 1 . . . . . 26 . . . 6158 1 309 . 1 1 26 26 LYS HB2 H 1 1.844 0.10 . 2 . . . . . 26 . . . 6158 1 310 . 1 1 26 26 LYS HG2 H 1 1.416 0.10 . 1 . . . . . 26 . . . 6158 1 311 . 1 1 26 26 LYS HE2 H 1 3.019 0.10 . 1 . . . . . 26 . . . 6158 1 312 . 1 1 27 27 GLU H H 1 7.623 0.01 . 1 . . . . . 27 . . . 6158 1 313 . 1 1 27 27 GLU N N 15 117.533 0.05 . 1 . . . . . 27 . . . 6158 1 314 . 1 1 27 27 GLU CA C 13 58.891 0.27 . 1 . . . . . 27 . . . 6158 1 315 . 1 1 27 27 GLU HA H 1 4.103 0.10 . 1 . . . . . 27 . . . 6158 1 316 . 1 1 27 27 GLU C C 13 179.568 0.05 . 1 . . . . . 27 . . . 6158 1 317 . 1 1 27 27 GLU CB C 13 29.826 0.27 . 1 . . . . . 27 . . . 6158 1 318 . 1 1 27 27 GLU HB3 H 1 2.027 0.10 . 2 . . . . . 27 . . . 6158 1 319 . 1 1 27 27 GLU CG C 13 37.447 0.27 . 1 . . . . . 27 . . . 6158 1 320 . 1 1 27 27 GLU HB2 H 1 2.322 0.10 . 2 . . . . . 27 . . . 6158 1 321 . 1 1 27 27 GLU HG2 H 1 2.283 0.10 . 1 . . . . . 27 . . . 6158 1 322 . 1 1 28 28 ILE H H 1 8.039 0.01 . 1 . . . . . 28 . . . 6158 1 323 . 1 1 28 28 ILE N N 15 121.273 0.05 . 1 . . . . . 28 . . . 6158 1 324 . 1 1 28 28 ILE CA C 13 64.741 0.27 . 1 . . . . . 28 . . . 6158 1 325 . 1 1 28 28 ILE HA H 1 3.638 0.10 . 1 . . . . . 28 . . . 6158 1 326 . 1 1 28 28 ILE C C 13 177.125 0.05 . 1 . . . . . 28 . . . 6158 1 327 . 1 1 28 28 ILE CB C 13 37.382 0.27 . 1 . . . . . 28 . . . 6158 1 328 . 1 1 28 28 ILE HB H 1 1.845 0.10 . 1 . . . . . 28 . . . 6158 1 329 . 1 1 28 28 ILE CG2 C 13 18.218 0.27 . 1 . . . . . 28 . . . 6158 1 330 . 1 1 28 28 ILE HG21 H 1 0.756 0.10 . 1 . . . . . 28 . . . 6158 1 331 . 1 1 28 28 ILE HG22 H 1 0.756 0.10 . 1 . . . . . 28 . . . 6158 1 332 . 1 1 28 28 ILE HG23 H 1 0.756 0.10 . 1 . . . . . 28 . . . 6158 1 333 . 1 1 28 28 ILE CG1 C 13 28.717 0.27 . 1 . . . . . 28 . . . 6158 1 334 . 1 1 28 28 ILE HG12 H 1 1.663 0.10 . 2 . . . . . 28 . . . 6158 1 335 . 1 1 28 28 ILE HG13 H 1 1.000 0.10 . 2 . . . . . 28 . . . 6158 1 336 . 1 1 28 28 ILE CD1 C 13 13.218 0.27 . 1 . . . . . 28 . . . 6158 1 337 . 1 1 28 28 ILE HD11 H 1 0.771 0.10 . 1 . . . . . 28 . . . 6158 1 338 . 1 1 28 28 ILE HD12 H 1 0.771 0.10 . 1 . . . . . 28 . . . 6158 1 339 . 1 1 28 28 ILE HD13 H 1 0.771 0.10 . 1 . . . . . 28 . . . 6158 1 340 . 1 1 29 29 LEU H H 1 8.310 0.01 . 1 . . . . . 29 . . . 6158 1 341 . 1 1 29 29 LEU N N 15 119.194 0.05 . 1 . . . . . 29 . . . 6158 1 342 . 1 1 29 29 LEU CA C 13 58.188 0.27 . 1 . . . . . 29 . . . 6158 1 343 . 1 1 29 29 LEU HA H 1 3.971 0.10 . 1 . . . . . 29 . . . 6158 1 344 . 1 1 29 29 LEU C C 13 179.763 0.05 . 1 . . . . . 29 . . . 6158 1 345 . 1 1 29 29 LEU CB C 13 40.433 0.27 . 1 . . . . . 29 . . . 6158 1 346 . 1 1 29 29 LEU HB3 H 1 1.593 0.10 . 2 . . . . . 29 . . . 6158 1 347 . 1 1 29 29 LEU CG C 13 26.814 0.27 . 1 . . . . . 29 . . . 6158 1 348 . 1 1 29 29 LEU CD1 C 13 25.218 0.27 . 2 . . . . . 29 . . . 6158 1 349 . 1 1 29 29 LEU HD11 H 1 0.880 0.10 . 2 . . . . . 29 . . . 6158 1 350 . 1 1 29 29 LEU HD12 H 1 0.880 0.10 . 2 . . . . . 29 . . . 6158 1 351 . 1 1 29 29 LEU HD13 H 1 0.880 0.10 . 2 . . . . . 29 . . . 6158 1 352 . 1 1 29 29 LEU CD2 C 13 22.687 0.27 . 2 . . . . . 29 . . . 6158 1 353 . 1 1 29 29 LEU HD21 H 1 0.792 0.10 . 2 . . . . . 29 . . . 6158 1 354 . 1 1 29 29 LEU HD22 H 1 0.792 0.10 . 2 . . . . . 29 . . . 6158 1 355 . 1 1 29 29 LEU HD23 H 1 0.792 0.10 . 2 . . . . . 29 . . . 6158 1 356 . 1 1 29 29 LEU HG H 1 1.811 0.10 . 1 . . . . . 29 . . . 6158 1 357 . 1 1 29 29 LEU HB2 H 1 1.843 0.10 . 2 . . . . . 29 . . . 6158 1 358 . 1 1 30 30 ASP CA C 13 56.921 0.27 . 1 . . . . . 30 . . . 6158 1 359 . 1 1 30 30 ASP HA H 1 4.418 0.10 . 1 . . . . . 30 . . . 6158 1 360 . 1 1 30 30 ASP C C 13 178.761 0.05 . 1 . . . . . 30 . . . 6158 1 361 . 1 1 30 30 ASP CB C 13 40.157 0.27 . 1 . . . . . 30 . . . 6158 1 362 . 1 1 30 30 ASP HB3 H 1 2.603 0.10 . 2 . . . . . 30 . . . 6158 1 363 . 1 1 30 30 ASP HB2 H 1 2.833 0.10 . 2 . . . . . 30 . . . 6158 1 364 . 1 1 31 31 ALA H H 1 7.698 0.01 . 1 . . . . . 31 . . . 6158 1 365 . 1 1 31 31 ALA N N 15 123.426 0.05 . 1 . . . . . 31 . . . 6158 1 366 . 1 1 31 31 ALA CA C 13 55.144 0.27 . 1 . . . . . 31 . . . 6158 1 367 . 1 1 31 31 ALA HA H 1 4.176 0.10 . 1 . . . . . 31 . . . 6158 1 368 . 1 1 31 31 ALA C C 13 180.038 0.05 . 1 . . . . . 31 . . . 6158 1 369 . 1 1 31 31 ALA CB C 13 17.759 0.27 . 1 . . . . . 31 . . . 6158 1 370 . 1 1 31 31 ALA HB1 H 1 1.542 0.10 . 1 . . . . . 31 . . . 6158 1 371 . 1 1 31 31 ALA HB2 H 1 1.542 0.10 . 1 . . . . . 31 . . . 6158 1 372 . 1 1 31 31 ALA HB3 H 1 1.542 0.10 . 1 . . . . . 31 . . . 6158 1 373 . 1 1 32 32 PHE H H 1 8.208 0.01 . 1 . . . . . 32 . . . 6158 1 374 . 1 1 32 32 PHE N N 15 117.894 0.05 . 1 . . . . . 32 . . . 6158 1 375 . 1 1 32 32 PHE CA C 13 60.590 0.27 . 1 . . . . . 32 . . . 6158 1 376 . 1 1 32 32 PHE HA H 1 4.295 0.10 . 1 . . . . . 32 . . . 6158 1 377 . 1 1 32 32 PHE C C 13 177.472 0.05 . 1 . . . . . 32 . . . 6158 1 378 . 1 1 32 32 PHE CB C 13 38.559 0.27 . 1 . . . . . 32 . . . 6158 1 379 . 1 1 32 32 PHE HB3 H 1 3.153 0.10 . 2 . . . . . 32 . . . 6158 1 380 . 1 1 32 32 PHE CD1 C 13 130.767 0.27 . 1 . . . . . 32 . . . 6158 1 381 . 1 1 32 32 PHE HD1 H 1 7.231 0.10 . 1 . . . . . 32 . . . 6158 1 382 . 1 1 32 32 PHE CD2 C 13 130.767 0.27 . 1 . . . . . 32 . . . 6158 1 383 . 1 1 32 32 PHE HD2 H 1 7.231 0.10 . 1 . . . . . 32 . . . 6158 1 384 . 1 1 32 32 PHE CE1 C 13 130.354 0.27 . 1 . . . . . 32 . . . 6158 1 385 . 1 1 32 32 PHE HE1 H 1 7.049 0.10 . 1 . . . . . 32 . . . 6158 1 386 . 1 1 32 32 PHE CE2 C 13 130.354 0.27 . 1 . . . . . 32 . . . 6158 1 387 . 1 1 32 32 PHE HE2 H 1 7.049 0.10 . 1 . . . . . 32 . . . 6158 1 388 . 1 1 32 32 PHE CZ C 13 128.406 0.27 . 1 . . . . . 32 . . . 6158 1 389 . 1 1 32 32 PHE HZ H 1 6.937 0.10 . 1 . . . . . 32 . . . 6158 1 390 . 1 1 32 32 PHE HB2 H 1 3.369 0.10 . 2 . . . . . 32 . . . 6158 1 391 . 1 1 33 33 ASP CA C 13 57.442 0.27 . 1 . . . . . 33 . . . 6158 1 392 . 1 1 33 33 ASP HA H 1 4.406 0.10 . 1 . . . . . 33 . . . 6158 1 393 . 1 1 33 33 ASP C C 13 179.095 0.05 . 1 . . . . . 33 . . . 6158 1 394 . 1 1 33 33 ASP CB C 13 40.611 0.27 . 1 . . . . . 33 . . . 6158 1 395 . 1 1 33 33 ASP HB3 H 1 2.782 0.10 . 2 . . . . . 33 . . . 6158 1 396 . 1 1 33 33 ASP HB2 H 1 2.936 0.10 . 2 . . . . . 33 . . . 6158 1 397 . 1 1 34 34 LYS H H 1 7.986 0.01 . 1 . . . . . 34 . . . 6158 1 398 . 1 1 34 34 LYS N N 15 119.605 0.05 . 1 . . . . . 34 . . . 6158 1 399 . 1 1 34 34 LYS CA C 13 58.983 0.27 . 1 . . . . . 34 . . . 6158 1 400 . 1 1 34 34 LYS HA H 1 4.071 0.10 . 1 . . . . . 34 . . . 6158 1 401 . 1 1 34 34 LYS C C 13 179.869 0.05 . 1 . . . . . 34 . . . 6158 1 402 . 1 1 34 34 LYS CB C 13 32.052 0.27 . 1 . . . . . 34 . . . 6158 1 403 . 1 1 34 34 LYS CG C 13 25.001 0.27 . 1 . . . . . 34 . . . 6158 1 404 . 1 1 34 34 LYS HG3 H 1 1.419 0.10 . 2 . . . . . 34 . . . 6158 1 405 . 1 1 34 34 LYS CD C 13 28.939 0.27 . 1 . . . . . 34 . . . 6158 1 406 . 1 1 34 34 LYS CE C 13 41.851 0.27 . 1 . . . . . 34 . . . 6158 1 407 . 1 1 34 34 LYS HB2 H 1 1.960 0.10 . 1 . . . . . 34 . . . 6158 1 408 . 1 1 34 34 LYS HG2 H 1 1.588 0.10 . 2 . . . . . 34 . . . 6158 1 409 . 1 1 34 34 LYS HD2 H 1 1.691 0.10 . 1 . . . . . 34 . . . 6158 1 410 . 1 1 34 34 LYS HE2 H 1 2.959 0.10 . 1 . . . . . 34 . . . 6158 1 411 . 1 1 35 35 MET H H 1 8.216 0.01 . 1 . . . . . 35 . . . 6158 1 412 . 1 1 35 35 MET N N 15 120.542 0.05 . 1 . . . . . 35 . . . 6158 1 413 . 1 1 35 35 MET CA C 13 59.298 0.27 . 1 . . . . . 35 . . . 6158 1 414 . 1 1 35 35 MET HA H 1 4.040 0.10 . 1 . . . . . 35 . . . 6158 1 415 . 1 1 35 35 MET C C 13 178.139 0.05 . 1 . . . . . 35 . . . 6158 1 416 . 1 1 35 35 MET CB C 13 32.036 0.27 . 1 . . . . . 35 . . . 6158 1 417 . 1 1 35 35 MET HB3 H 1 2.206 0.10 . 2 . . . . . 35 . . . 6158 1 418 . 1 1 35 35 MET CG C 13 32.164 0.27 . 1 . . . . . 35 . . . 6158 1 419 . 1 1 35 35 MET CE C 13 17.408 0.27 . 1 . . . . . 35 . . . 6158 1 420 . 1 1 35 35 MET HE1 H 1 1.854 0.10 . 1 . . . . . 35 . . . 6158 1 421 . 1 1 35 35 MET HE2 H 1 1.854 0.10 . 1 . . . . . 35 . . . 6158 1 422 . 1 1 35 35 MET HE3 H 1 1.854 0.10 . 1 . . . . . 35 . . . 6158 1 423 . 1 1 35 35 MET HB2 H 1 2.505 0.10 . 2 . . . . . 35 . . . 6158 1 424 . 1 1 35 35 MET HG2 H 1 2.567 0.10 . 1 . . . . . 35 . . . 6158 1 425 . 1 1 36 36 CYS H H 1 8.544 0.01 . 1 . . . . . 36 . . . 6158 1 426 . 1 1 36 36 CYS N N 15 114.367 0.05 . 1 . . . . . 36 . . . 6158 1 427 . 1 1 36 36 CYS CA C 13 55.519 0.27 . 1 . . . . . 36 . . . 6158 1 428 . 1 1 36 36 CYS HA H 1 4.493 0.10 . 1 . . . . . 36 . . . 6158 1 429 . 1 1 36 36 CYS C C 13 178.122 0.05 . 1 . . . . . 36 . . . 6158 1 430 . 1 1 36 36 CYS CB C 13 34.834 0.27 . 1 . . . . . 36 . . . 6158 1 431 . 1 1 36 36 CYS HB3 H 1 3.1610 0.10 . 2 . . . . . 36 . . . 6158 1 432 . 1 1 36 36 CYS HB2 H 1 3.3170 0.10 . 2 . . . . . 36 . . . 6158 1 433 . 1 1 37 37 SER H H 1 7.900 0.01 . 1 . . . . . 37 . . . 6158 1 434 . 1 1 37 37 SER N N 15 113.776 0.05 . 1 . . . . . 37 . . . 6158 1 435 . 1 1 37 37 SER CA C 13 60.765 0.27 . 1 . . . . . 37 . . . 6158 1 436 . 1 1 37 37 SER HA H 1 4.320 0.10 . 1 . . . . . 37 . . . 6158 1 437 . 1 1 37 37 SER C C 13 174.418 0.05 . 1 . . . . . 37 . . . 6158 1 438 . 1 1 37 37 SER CB C 13 63.043 0.27 . 1 . . . . . 37 . . . 6158 1 439 . 1 1 37 37 SER HB3 H 1 4.038 0.10 . 2 . . . . . 37 . . . 6158 1 440 . 1 1 37 37 SER HB2 H 1 4.062 0.10 . 2 . . . . . 37 . . . 6158 1 441 . 1 1 38 38 LYS H H 1 7.615 0.01 . 1 . . . . . 38 . . . 6158 1 442 . 1 1 38 38 LYS N N 15 120.230 0.05 . 1 . . . . . 38 . . . 6158 1 443 . 1 1 38 38 LYS CA C 13 55.719 0.27 . 1 . . . . . 38 . . . 6158 1 444 . 1 1 38 38 LYS HA H 1 4.329 0.10 . 1 . . . . . 38 . . . 6158 1 445 . 1 1 38 38 LYS C C 13 176.230 0.05 . 1 . . . . . 38 . . . 6158 1 446 . 1 1 38 38 LYS CB C 13 32.656 0.27 . 1 . . . . . 38 . . . 6158 1 447 . 1 1 38 38 LYS CG C 13 24.684 0.27 . 1 . . . . . 38 . . . 6158 1 448 . 1 1 38 38 LYS CD C 13 28.228 0.27 . 1 . . . . . 38 . . . 6158 1 449 . 1 1 38 38 LYS CE C 13 42.032 0.27 . 1 . . . . . 38 . . . 6158 1 450 . 1 1 38 38 LYS HE3 H 1 2.8750 0.10 . 2 . . . . . 38 . . . 6158 1 451 . 1 1 38 38 LYS HB2 H 1 2.004 0.10 . 1 . . . . . 38 . . . 6158 1 452 . 1 1 38 38 LYS HG2 H 1 1.620 0.10 . 1 . . . . . 38 . . . 6158 1 453 . 1 1 38 38 LYS HD2 H 1 1.696 0.10 . 1 . . . . . 38 . . . 6158 1 454 . 1 1 38 38 LYS HE2 H 1 3.0070 0.10 . 2 . . . . . 38 . . . 6158 1 455 . 1 1 39 39 LEU H H 1 7.092 0.01 . 1 . . . . . 39 . . . 6158 1 456 . 1 1 39 39 LEU N N 15 116.704 0.05 . 1 . . . . . 39 . . . 6158 1 457 . 1 1 39 39 LEU CA C 13 53.032 0.27 . 1 . . . . . 39 . . . 6158 1 458 . 1 1 39 39 LEU HA H 1 4.403 0.10 . 1 . . . . . 39 . . . 6158 1 459 . 1 1 39 39 LEU CB C 13 41.015 0.27 . 1 . . . . . 39 . . . 6158 1 460 . 1 1 39 39 LEU HB3 H 1 1.378 0.10 . 2 . . . . . 39 . . . 6158 1 461 . 1 1 39 39 LEU CG C 13 26.566 0.27 . 1 . . . . . 39 . . . 6158 1 462 . 1 1 39 39 LEU CD1 C 13 26.843 0.27 . 2 . . . . . 39 . . . 6158 1 463 . 1 1 39 39 LEU HD11 H 1 0.989 0.10 . 2 . . . . . 39 . . . 6158 1 464 . 1 1 39 39 LEU HD12 H 1 0.989 0.10 . 2 . . . . . 39 . . . 6158 1 465 . 1 1 39 39 LEU HD13 H 1 0.989 0.10 . 2 . . . . . 39 . . . 6158 1 466 . 1 1 39 39 LEU CD2 C 13 22.867 0.27 . 2 . . . . . 39 . . . 6158 1 467 . 1 1 39 39 LEU HD21 H 1 0.883 0.10 . 2 . . . . . 39 . . . 6158 1 468 . 1 1 39 39 LEU HD22 H 1 0.883 0.10 . 2 . . . . . 39 . . . 6158 1 469 . 1 1 39 39 LEU HD23 H 1 0.883 0.10 . 2 . . . . . 39 . . . 6158 1 470 . 1 1 39 39 LEU HG H 1 2.035 0.10 . 1 . . . . . 39 . . . 6158 1 471 . 1 1 39 39 LEU HB2 H 1 1.700 0.10 . 2 . . . . . 39 . . . 6158 1 472 . 1 1 40 40 PRO CA C 13 62.765 0.27 . 1 . . . . . 40 . . . 6158 1 473 . 1 1 40 40 PRO HA H 1 4.541 0.10 . 1 . . . . . 40 . . . 6158 1 474 . 1 1 40 40 PRO C C 13 176.697 0.05 . 1 . . . . . 40 . . . 6158 1 475 . 1 1 40 40 PRO CB C 13 32.138 0.27 . 1 . . . . . 40 . . . 6158 1 476 . 1 1 40 40 PRO HB3 H 1 2.024 0.10 . 2 . . . . . 40 . . . 6158 1 477 . 1 1 40 40 PRO CG C 13 27.949 0.27 . 1 . . . . . 40 . . . 6158 1 478 . 1 1 40 40 PRO HG3 H 1 2.082 0.10 . 2 . . . . . 40 . . . 6158 1 479 . 1 1 40 40 PRO CD C 13 49.835 0.27 . 1 . . . . . 40 . . . 6158 1 480 . 1 1 40 40 PRO HD3 H 1 3.457 0.10 . 2 . . . . . 40 . . . 6158 1 481 . 1 1 40 40 PRO HB2 H 1 2.518 0.10 . 2 . . . . . 40 . . . 6158 1 482 . 1 1 40 40 PRO HG2 H 1 2.161 0.10 . 2 . . . . . 40 . . . 6158 1 483 . 1 1 40 40 PRO HD2 H 1 3.798 0.10 . 2 . . . . . 40 . . . 6158 1 484 . 1 1 41 41 LYS H H 1 8.482 0.01 . 1 . . . . . 41 . . . 6158 1 485 . 1 1 41 41 LYS N N 15 120.614 0.05 . 1 . . . . . 41 . . . 6158 1 486 . 1 1 41 41 LYS CA C 13 59.507 0.27 . 1 . . . . . 41 . . . 6158 1 487 . 1 1 41 41 LYS HA H 1 4.071 0.10 . 1 . . . . . 41 . . . 6158 1 488 . 1 1 41 41 LYS C C 13 177.838 0.05 . 1 . . . . . 41 . . . 6158 1 489 . 1 1 41 41 LYS CB C 13 32.290 0.27 . 1 . . . . . 41 . . . 6158 1 490 . 1 1 41 41 LYS CG C 13 24.397 0.27 . 1 . . . . . 41 . . . 6158 1 491 . 1 1 41 41 LYS CD C 13 28.727 0.27 . 1 . . . . . 41 . . . 6158 1 492 . 1 1 41 41 LYS CE C 13 41.920 0.27 . 1 . . . . . 41 . . . 6158 1 493 . 1 1 41 41 LYS HB2 H 1 1.933 0.10 . 1 . . . . . 41 . . . 6158 1 494 . 1 1 41 41 LYS HG2 H 1 1.498 0.10 . 1 . . . . . 41 . . . 6158 1 495 . 1 1 41 41 LYS HD2 H 1 1.731 0.10 . 1 . . . . . 41 . . . 6158 1 496 . 1 1 41 41 LYS HE2 H 1 2.996 0.10 . 1 . . . . . 41 . . . 6158 1 497 . 1 1 42 42 SER H H 1 8.566 0.01 . 1 . . . . . 42 . . . 6158 1 498 . 1 1 42 42 SER N N 15 113.927 0.05 . 1 . . . . . 42 . . . 6158 1 499 . 1 1 42 42 SER CA C 13 61.182 0.27 . 1 . . . . . 42 . . . 6158 1 500 . 1 1 42 42 SER HA H 1 4.290 0.10 . 1 . . . . . 42 . . . 6158 1 501 . 1 1 42 42 SER C C 13 176.058 0.05 . 1 . . . . . 42 . . . 6158 1 502 . 1 1 42 42 SER CB C 13 62.530 0.27 . 1 . . . . . 42 . . . 6158 1 503 . 1 1 42 42 SER HB2 H 1 3.976 0.10 . 1 . . . . . 42 . . . 6158 1 504 . 1 1 43 43 LEU H H 1 7.656 0.01 . 1 . . . . . 43 . . . 6158 1 505 . 1 1 43 43 LEU N N 15 121.102 0.05 . 1 . . . . . 43 . . . 6158 1 506 . 1 1 43 43 LEU CA C 13 56.438 0.27 . 1 . . . . . 43 . . . 6158 1 507 . 1 1 43 43 LEU HA H 1 4.396 0.10 . 1 . . . . . 43 . . . 6158 1 508 . 1 1 43 43 LEU C C 13 178.164 0.05 . 1 . . . . . 43 . . . 6158 1 509 . 1 1 43 43 LEU CB C 13 43.703 0.27 . 1 . . . . . 43 . . . 6158 1 510 . 1 1 43 43 LEU HB3 H 1 1.526 0.10 . 2 . . . . . 43 . . . 6158 1 511 . 1 1 43 43 LEU CG C 13 27.202 0.27 . 1 . . . . . 43 . . . 6158 1 512 . 1 1 43 43 LEU CD1 C 13 25.458 0.27 . 2 . . . . . 43 . . . 6158 1 513 . 1 1 43 43 LEU HD11 H 1 0.969 0.10 . 2 . . . . . 43 . . . 6158 1 514 . 1 1 43 43 LEU HD12 H 1 0.969 0.10 . 2 . . . . . 43 . . . 6158 1 515 . 1 1 43 43 LEU HD13 H 1 0.969 0.10 . 2 . . . . . 43 . . . 6158 1 516 . 1 1 43 43 LEU CD2 C 13 23.873 0.27 . 2 . . . . . 43 . . . 6158 1 517 . 1 1 43 43 LEU HD21 H 1 0.940 0.10 . 2 . . . . . 43 . . . 6158 1 518 . 1 1 43 43 LEU HD22 H 1 0.940 0.10 . 2 . . . . . 43 . . . 6158 1 519 . 1 1 43 43 LEU HD23 H 1 0.940 0.10 . 2 . . . . . 43 . . . 6158 1 520 . 1 1 43 43 LEU HG H 1 1.778 0.10 . 1 . . . . . 43 . . . 6158 1 521 . 1 1 43 43 LEU HB2 H 1 1.747 0.10 . 2 . . . . . 43 . . . 6158 1 522 . 1 1 44 44 SER H H 1 8.499 0.01 . 1 . . . . . 44 . . . 6158 1 523 . 1 1 44 44 SER N N 15 115.195 0.05 . 1 . . . . . 44 . . . 6158 1 524 . 1 1 44 44 SER CA C 13 61.552 0.27 . 1 . . . . . 44 . . . 6158 1 525 . 1 1 44 44 SER HA H 1 4.099 0.10 . 1 . . . . . 44 . . . 6158 1 526 . 1 1 44 44 SER C C 13 177.165 0.05 . 1 . . . . . 44 . . . 6158 1 527 . 1 1 44 44 SER CB C 13 62.886 0.27 . 1 . . . . . 44 . . . 6158 1 528 . 1 1 44 44 SER HB2 H 1 3.981 0.10 . 1 . . . . . 44 . . . 6158 1 529 . 1 1 45 45 GLU H H 1 8.018 0.01 . 1 . . . . . 45 . . . 6158 1 530 . 1 1 45 45 GLU N N 15 120.738 0.05 . 1 . . . . . 45 . . . 6158 1 531 . 1 1 45 45 GLU CA C 13 59.509 0.27 . 1 . . . . . 45 . . . 6158 1 532 . 1 1 45 45 GLU HA H 1 4.101 0.10 . 1 . . . . . 45 . . . 6158 1 533 . 1 1 45 45 GLU C C 13 179.330 0.05 . 1 . . . . . 45 . . . 6158 1 534 . 1 1 45 45 GLU CB C 13 29.337 0.27 . 1 . . . . . 45 . . . 6158 1 535 . 1 1 45 45 GLU CG C 13 36.327 0.27 . 1 . . . . . 45 . . . 6158 1 536 . 1 1 45 45 GLU HG3 H 1 2.2840 0.10 . 2 . . . . . 45 . . . 6158 1 537 . 1 1 45 45 GLU HB2 H 1 2.118 0.10 . 1 . . . . . 45 . . . 6158 1 538 . 1 1 45 45 GLU HG2 H 1 2.428 0.10 . 2 . . . . . 45 . . . 6158 1 539 . 1 1 46 46 GLU H H 1 7.856 0.01 . 1 . . . . . 46 . . . 6158 1 540 . 1 1 46 46 GLU N N 15 120.247 0.05 . 1 . . . . . 46 . . . 6158 1 541 . 1 1 46 46 GLU CA C 13 59.006 0.27 . 1 . . . . . 46 . . . 6158 1 542 . 1 1 46 46 GLU HA H 1 4.208 0.10 . 1 . . . . . 46 . . . 6158 1 543 . 1 1 46 46 GLU C C 13 177.852 0.05 . 1 . . . . . 46 . . . 6158 1 544 . 1 1 46 46 GLU CB C 13 28.347 0.27 . 1 . . . . . 46 . . . 6158 1 545 . 1 1 46 46 GLU HB3 H 1 2.036 0.10 . 2 . . . . . 46 . . . 6158 1 546 . 1 1 46 46 GLU CG C 13 34.203 0.27 . 1 . . . . . 46 . . . 6158 1 547 . 1 1 46 46 GLU HB2 H 1 2.133 0.10 . 2 . . . . . 46 . . . 6158 1 548 . 1 1 46 46 GLU HG2 H 1 2.507 0.10 . 1 . . . . . 46 . . . 6158 1 549 . 1 1 47 47 CYS H H 1 8.531 0.01 . 1 . . . . . 47 . . . 6158 1 550 . 1 1 47 47 CYS N N 15 118.468 0.05 . 1 . . . . . 47 . . . 6158 1 551 . 1 1 47 47 CYS CA C 13 59.989 0.27 . 1 . . . . . 47 . . . 6158 1 552 . 1 1 47 47 CYS HA H 1 4.006 0.10 . 1 . . . . . 47 . . . 6158 1 553 . 1 1 47 47 CYS C C 13 175.033 0.05 . 1 . . . . . 47 . . . 6158 1 554 . 1 1 47 47 CYS CB C 13 33.381 0.27 . 1 . . . . . 47 . . . 6158 1 555 . 1 1 47 47 CYS HB3 H 1 2.623 0.10 . 2 . . . . . 47 . . . 6158 1 556 . 1 1 47 47 CYS HB2 H 1 3.624 0.10 . 2 . . . . . 47 . . . 6158 1 557 . 1 1 48 48 GLN H H 1 8.244 0.01 . 1 . . . . . 48 . . . 6158 1 558 . 1 1 48 48 GLN N N 15 117.903 0.05 . 1 . . . . . 48 . . . 6158 1 559 . 1 1 48 48 GLN CA C 13 58.655 0.27 . 1 . . . . . 48 . . . 6158 1 560 . 1 1 48 48 GLN HA H 1 3.899 0.10 . 1 . . . . . 48 . . . 6158 1 561 . 1 1 48 48 GLN C C 13 177.933 0.05 . 1 . . . . . 48 . . . 6158 1 562 . 1 1 48 48 GLN CB C 13 28.634 0.27 . 1 . . . . . 48 . . . 6158 1 563 . 1 1 48 48 GLN CG C 13 34.325 0.27 . 1 . . . . . 48 . . . 6158 1 564 . 1 1 48 48 GLN HG3 H 1 2.311 0.10 . 2 . . . . . 48 . . . 6158 1 565 . 1 1 48 48 GLN NE2 N 15 113.449 0.05 . 1 . . . . . 48 . . . 6158 1 566 . 1 1 48 48 GLN HE21 H 1 7.502 0.10 . 2 . . . . . 48 . . . 6158 1 567 . 1 1 48 48 GLN HE22 H 1 6.925 0.10 . 2 . . . . . 48 . . . 6158 1 568 . 1 1 48 48 GLN HB2 H 1 2.071 0.10 . 1 . . . . . 48 . . . 6158 1 569 . 1 1 48 48 GLN HG2 H 1 2.509 0.10 . 2 . . . . . 48 . . . 6158 1 570 . 1 1 49 49 GLU H H 1 7.871 0.01 . 1 . . . . . 49 . . . 6158 1 571 . 1 1 49 49 GLU N N 15 119.131 0.05 . 1 . . . . . 49 . . . 6158 1 572 . 1 1 49 49 GLU CA C 13 59.565 0.27 . 1 . . . . . 49 . . . 6158 1 573 . 1 1 49 49 GLU HA H 1 4.214 0.10 . 1 . . . . . 49 . . . 6158 1 574 . 1 1 49 49 GLU C C 13 179.564 0.05 . 1 . . . . . 49 . . . 6158 1 575 . 1 1 49 49 GLU CB C 13 29.197 0.27 . 1 . . . . . 49 . . . 6158 1 576 . 1 1 49 49 GLU CG C 13 35.721 0.27 . 1 . . . . . 49 . . . 6158 1 577 . 1 1 49 49 GLU HB2 H 1 2.207 0.10 . 1 . . . . . 49 . . . 6158 1 578 . 1 1 49 49 GLU HG2 H 1 2.350 0.10 . 1 . . . . . 49 . . . 6158 1 579 . 1 1 50 50 VAL H H 1 8.1341 0.01 . 1 . . . . . 50 . . . 6158 1 580 . 1 1 50 50 VAL N N 15 121.0037 0.05 . 1 . . . . . 50 . . . 6158 1 581 . 1 1 50 50 VAL CA C 13 66.951 0.27 . 1 . . . . . 50 . . . 6158 1 582 . 1 1 50 50 VAL HA H 1 3.903 0.10 . 1 . . . . . 50 . . . 6158 1 583 . 1 1 50 50 VAL C C 13 178.445 0.05 . 1 . . . . . 50 . . . 6158 1 584 . 1 1 50 50 VAL CB C 13 31.592 0.27 . 1 . . . . . 50 . . . 6158 1 585 . 1 1 50 50 VAL HB H 1 2.446 0.10 . 1 . . . . . 50 . . . 6158 1 586 . 1 1 50 50 VAL CG1 C 13 23.139 0.27 . 2 . . . . . 50 . . . 6158 1 587 . 1 1 50 50 VAL HG11 H 1 1.240 0.10 . 2 . . . . . 50 . . . 6158 1 588 . 1 1 50 50 VAL HG12 H 1 1.240 0.10 . 2 . . . . . 50 . . . 6158 1 589 . 1 1 50 50 VAL HG13 H 1 1.240 0.10 . 2 . . . . . 50 . . . 6158 1 590 . 1 1 50 50 VAL CG2 C 13 22.163 0.27 . 2 . . . . . 50 . . . 6158 1 591 . 1 1 50 50 VAL HG21 H 1 1.054 0.10 . 2 . . . . . 50 . . . 6158 1 592 . 1 1 50 50 VAL HG22 H 1 1.054 0.10 . 2 . . . . . 50 . . . 6158 1 593 . 1 1 50 50 VAL HG23 H 1 1.054 0.10 . 2 . . . . . 50 . . . 6158 1 594 . 1 1 51 51 VAL H H 1 8.443 0.01 . 1 . . . . . 51 . . . 6158 1 595 . 1 1 51 51 VAL N N 15 121.250 0.05 . 1 . . . . . 51 . . . 6158 1 596 . 1 1 51 51 VAL CA C 13 67.527 0.27 . 1 . . . . . 51 . . . 6158 1 597 . 1 1 51 51 VAL HA H 1 3.347 0.10 . 1 . . . . . 51 . . . 6158 1 598 . 1 1 51 51 VAL C C 13 178.871 0.05 . 1 . . . . . 51 . . . 6158 1 599 . 1 1 51 51 VAL CB C 13 31.628 0.27 . 1 . . . . . 51 . . . 6158 1 600 . 1 1 51 51 VAL HB H 1 2.268 0.10 . 1 . . . . . 51 . . . 6158 1 601 . 1 1 51 51 VAL CG1 C 13 23.736 0.27 . 2 . . . . . 51 . . . 6158 1 602 . 1 1 51 51 VAL HG11 H 1 1.038 0.10 . 2 . . . . . 51 . . . 6158 1 603 . 1 1 51 51 VAL HG12 H 1 1.038 0.10 . 2 . . . . . 51 . . . 6158 1 604 . 1 1 51 51 VAL HG13 H 1 1.038 0.10 . 2 . . . . . 51 . . . 6158 1 605 . 1 1 51 51 VAL CG2 C 13 22.148 0.27 . 2 . . . . . 51 . . . 6158 1 606 . 1 1 51 51 VAL HG21 H 1 1.022 0.10 . 2 . . . . . 51 . . . 6158 1 607 . 1 1 51 51 VAL HG22 H 1 1.022 0.10 . 2 . . . . . 51 . . . 6158 1 608 . 1 1 51 51 VAL HG23 H 1 1.022 0.10 . 2 . . . . . 51 . . . 6158 1 609 . 1 1 52 52 ASP CA C 13 57.191 0.27 . 1 . . . . . 52 . . . 6158 1 610 . 1 1 52 52 ASP HA H 1 4.417 0.10 . 1 . . . . . 52 . . . 6158 1 611 . 1 1 52 52 ASP C C 13 178.235 0.05 . 1 . . . . . 52 . . . 6158 1 612 . 1 1 52 52 ASP CB C 13 40.750 0.27 . 1 . . . . . 52 . . . 6158 1 613 . 1 1 52 52 ASP HB3 H 1 2.710 0.10 . 2 . . . . . 52 . . . 6158 1 614 . 1 1 52 52 ASP HB2 H 1 2.826 0.10 . 2 . . . . . 52 . . . 6158 1 615 . 1 1 53 53 THR H H 1 8.114 0.01 . 1 . . . . . 53 . . . 6158 1 616 . 1 1 53 53 THR N N 15 114.577 0.05 . 1 . . . . . 53 . . . 6158 1 617 . 1 1 53 53 THR CA C 13 69.188 0.27 . 1 . . . . . 53 . . . 6158 1 618 . 1 1 53 53 THR HA H 1 3.812 0.10 . 1 . . . . . 53 . . . 6158 1 619 . 1 1 53 53 THR C C 13 175.919 0.05 . 1 . . . . . 53 . . . 6158 1 620 . 1 1 53 53 THR CB C 13 65.665 0.27 . 1 . . . . . 53 . . . 6158 1 621 . 1 1 53 53 THR HB H 1 3.938 0.10 . 1 . . . . . 53 . . . 6158 1 622 . 1 1 53 53 THR CG2 C 13 20.340 0.27 . 1 . . . . . 53 . . . 6158 1 623 . 1 1 53 53 THR HG21 H 1 0.483 0.10 . 1 . . . . . 53 . . . 6158 1 624 . 1 1 53 53 THR HG22 H 1 0.483 0.10 . 1 . . . . . 53 . . . 6158 1 625 . 1 1 53 53 THR HG23 H 1 0.483 0.10 . 1 . . . . . 53 . . . 6158 1 626 . 1 1 54 54 TYR H H 1 8.503 0.01 . 1 . . . . . 54 . . . 6158 1 627 . 1 1 54 54 TYR N N 15 117.275 0.05 . 1 . . . . . 54 . . . 6158 1 628 . 1 1 54 54 TYR CA C 13 59.169 0.27 . 1 . . . . . 54 . . . 6158 1 629 . 1 1 54 54 TYR HA H 1 4.755 0.10 . 1 . . . . . 54 . . . 6158 1 630 . 1 1 54 54 TYR C C 13 176.748 0.05 . 1 . . . . . 54 . . . 6158 1 631 . 1 1 54 54 TYR CB C 13 40.071 0.27 . 1 . . . . . 54 . . . 6158 1 632 . 1 1 54 54 TYR HB3 H 1 2.715 0.10 . 2 . . . . . 54 . . . 6158 1 633 . 1 1 54 54 TYR CD1 C 13 132.990 0.27 . 1 . . . . . 54 . . . 6158 1 634 . 1 1 54 54 TYR HD1 H 1 7.260 0.10 . 1 . . . . . 54 . . . 6158 1 635 . 1 1 54 54 TYR CD2 C 13 132.990 0.27 . 1 . . . . . 54 . . . 6158 1 636 . 1 1 54 54 TYR HD2 H 1 7.260 0.10 . 1 . . . . . 54 . . . 6158 1 637 . 1 1 54 54 TYR CE1 C 13 118.092 0.27 . 1 . . . . . 54 . . . 6158 1 638 . 1 1 54 54 TYR HE1 H 1 6.879 0.10 . 1 . . . . . 54 . . . 6158 1 639 . 1 1 54 54 TYR CE2 C 13 118.092 0.27 . 1 . . . . . 54 . . . 6158 1 640 . 1 1 54 54 TYR HE2 H 1 6.879 0.10 . 1 . . . . . 54 . . . 6158 1 641 . 1 1 54 54 TYR HB2 H 1 3.221 0.10 . 2 . . . . . 54 . . . 6158 1 642 . 1 1 55 55 GLY H H 1 8.481 0.01 . 1 . . . . . 55 . . . 6158 1 643 . 1 1 55 55 GLY N N 15 109.637 0.05 . 1 . . . . . 55 . . . 6158 1 644 . 1 1 55 55 GLY CA C 13 48.636 0.27 . 1 . . . . . 55 . . . 6158 1 645 . 1 1 55 55 GLY HA3 H 1 3.601 0.10 . 2 . . . . . 55 . . . 6158 1 646 . 1 1 55 55 GLY C C 13 174.579 0.05 . 1 . . . . . 55 . . . 6158 1 647 . 1 1 55 55 GLY HA2 H 1 4.121 0.10 . 2 . . . . . 55 . . . 6158 1 648 . 1 1 56 56 SER H H 1 8.817 0.01 . 1 . . . . . 56 . . . 6158 1 649 . 1 1 56 56 SER N N 15 115.059 0.05 . 1 . . . . . 56 . . . 6158 1 650 . 1 1 56 56 SER CA C 13 61.748 0.27 . 1 . . . . . 56 . . . 6158 1 651 . 1 1 56 56 SER HA H 1 4.164 0.10 . 1 . . . . . 56 . . . 6158 1 652 . 1 1 56 56 SER C C 13 177.133 0.05 . 1 . . . . . 56 . . . 6158 1 653 . 1 1 56 56 SER CB C 13 62.269 0.27 . 1 . . . . . 56 . . . 6158 1 654 . 1 1 56 56 SER HB2 H 1 3.906 0.10 . 1 . . . . . 56 . . . 6158 1 655 . 1 1 57 57 SER H H 1 8.002 0.01 . 1 . . . . . 57 . . . 6158 1 656 . 1 1 57 57 SER N N 15 118.318 0.05 . 1 . . . . . 57 . . . 6158 1 657 . 1 1 57 57 SER CA C 13 61.452 0.27 . 1 . . . . . 57 . . . 6158 1 658 . 1 1 57 57 SER HA H 1 4.361 0.10 . 1 . . . . . 57 . . . 6158 1 659 . 1 1 57 57 SER C C 13 176.255 0.05 . 1 . . . . . 57 . . . 6158 1 660 . 1 1 57 57 SER CB C 13 62.686 0.27 . 1 . . . . . 57 . . . 6158 1 661 . 1 1 57 57 SER HB3 H 1 4.010 0.10 . 2 . . . . . 57 . . . 6158 1 662 . 1 1 57 57 SER HB2 H 1 4.107 0.10 . 2 . . . . . 57 . . . 6158 1 663 . 1 1 58 58 ILE H H 1 8.204 0.01 . 1 . . . . . 58 . . . 6158 1 664 . 1 1 58 58 ILE N N 15 121.130 0.05 . 1 . . . . . 58 . . . 6158 1 665 . 1 1 58 58 ILE CA C 13 64.046 0.27 . 1 . . . . . 58 . . . 6158 1 666 . 1 1 58 58 ILE HA H 1 3.771 0.10 . 1 . . . . . 58 . . . 6158 1 667 . 1 1 58 58 ILE C C 13 177.157 0.05 . 1 . . . . . 58 . . . 6158 1 668 . 1 1 58 58 ILE CB C 13 37.856 0.27 . 1 . . . . . 58 . . . 6158 1 669 . 1 1 58 58 ILE HB H 1 1.987 0.10 . 1 . . . . . 58 . . . 6158 1 670 . 1 1 58 58 ILE CG2 C 13 17.489 0.27 . 1 . . . . . 58 . . . 6158 1 671 . 1 1 58 58 ILE HG21 H 1 0.865 0.10 . 1 . . . . . 58 . . . 6158 1 672 . 1 1 58 58 ILE HG22 H 1 0.865 0.10 . 1 . . . . . 58 . . . 6158 1 673 . 1 1 58 58 ILE HG23 H 1 0.865 0.10 . 1 . . . . . 58 . . . 6158 1 674 . 1 1 58 58 ILE CG1 C 13 28.962 0.27 . 1 . . . . . 58 . . . 6158 1 675 . 1 1 58 58 ILE HG12 H 1 1.689 0.10 . 2 . . . . . 58 . . . 6158 1 676 . 1 1 58 58 ILE HG13 H 1 1.177 0.10 . 2 . . . . . 58 . . . 6158 1 677 . 1 1 58 58 ILE CD1 C 13 13.191 0.27 . 1 . . . . . 58 . . . 6158 1 678 . 1 1 58 58 ILE HD11 H 1 0.797 0.10 . 1 . . . . . 58 . . . 6158 1 679 . 1 1 58 58 ILE HD12 H 1 0.797 0.10 . 1 . . . . . 58 . . . 6158 1 680 . 1 1 58 58 ILE HD13 H 1 0.797 0.10 . 1 . . . . . 58 . . . 6158 1 681 . 1 1 59 59 LEU H H 1 8.235 0.01 . 1 . . . . . 59 . . . 6158 1 682 . 1 1 59 59 LEU N N 15 118.725 0.05 . 1 . . . . . 59 . . . 6158 1 683 . 1 1 59 59 LEU CA C 13 58.103 0.27 . 1 . . . . . 59 . . . 6158 1 684 . 1 1 59 59 LEU HA H 1 3.990 0.10 . 1 . . . . . 59 . . . 6158 1 685 . 1 1 59 59 LEU C C 13 178.124 0.05 . 1 . . . . . 59 . . . 6158 1 686 . 1 1 59 59 LEU CB C 13 41.115 0.27 . 1 . . . . . 59 . . . 6158 1 687 . 1 1 59 59 LEU HB3 H 1 1.658 0.10 . 2 . . . . . 59 . . . 6158 1 688 . 1 1 59 59 LEU CG C 13 26.847 0.27 . 1 . . . . . 59 . . . 6158 1 689 . 1 1 59 59 LEU CD1 C 13 25.234 0.27 . 2 . . . . . 59 . . . 6158 1 690 . 1 1 59 59 LEU HD11 H 1 0.883 0.10 . 2 . . . . . 59 . . . 6158 1 691 . 1 1 59 59 LEU HD12 H 1 0.883 0.10 . 2 . . . . . 59 . . . 6158 1 692 . 1 1 59 59 LEU HD13 H 1 0.883 0.10 . 2 . . . . . 59 . . . 6158 1 693 . 1 1 59 59 LEU CD2 C 13 23.976 0.27 . 2 . . . . . 59 . . . 6158 1 694 . 1 1 59 59 LEU HD21 H 1 0.859 0.10 . 2 . . . . . 59 . . . 6158 1 695 . 1 1 59 59 LEU HD22 H 1 0.859 0.10 . 2 . . . . . 59 . . . 6158 1 696 . 1 1 59 59 LEU HD23 H 1 0.859 0.10 . 2 . . . . . 59 . . . 6158 1 697 . 1 1 59 59 LEU HG H 1 1.829 0.10 . 1 . . . . . 59 . . . 6158 1 698 . 1 1 59 59 LEU HB2 H 1 1.817 0.10 . 2 . . . . . 59 . . . 6158 1 699 . 1 1 60 60 SER H H 1 7.798 0.01 . 1 . . . . . 60 . . . 6158 1 700 . 1 1 60 60 SER N N 15 111.987 0.05 . 1 . . . . . 60 . . . 6158 1 701 . 1 1 60 60 SER CA C 13 61.681 0.27 . 1 . . . . . 60 . . . 6158 1 702 . 1 1 60 60 SER HA H 1 4.165 0.10 . 1 . . . . . 60 . . . 6158 1 703 . 1 1 60 60 SER C C 13 176.409 0.05 . 1 . . . . . 60 . . . 6158 1 704 . 1 1 60 60 SER CB C 13 62.867 0.27 . 1 . . . . . 60 . . . 6158 1 705 . 1 1 60 60 SER HB2 H 1 4.000 0.10 . 1 . . . . . 60 . . . 6158 1 706 . 1 1 61 61 ILE H H 1 7.485 0.01 . 1 . . . . . 61 . . . 6158 1 707 . 1 1 61 61 ILE N N 15 120.628 0.05 . 1 . . . . . 61 . . . 6158 1 708 . 1 1 61 61 ILE CA C 13 63.761 0.27 . 1 . . . . . 61 . . . 6158 1 709 . 1 1 61 61 ILE HA H 1 3.885 0.10 . 1 . . . . . 61 . . . 6158 1 710 . 1 1 61 61 ILE C C 13 177.735 0.05 . 1 . . . . . 61 . . . 6158 1 711 . 1 1 61 61 ILE CB C 13 38.178 0.27 . 1 . . . . . 61 . . . 6158 1 712 . 1 1 61 61 ILE HB H 1 2.007 0.10 . 1 . . . . . 61 . . . 6158 1 713 . 1 1 61 61 ILE CG2 C 13 17.433 0.27 . 1 . . . . . 61 . . . 6158 1 714 . 1 1 61 61 ILE HG21 H 1 0.880 0.10 . 1 . . . . . 61 . . . 6158 1 715 . 1 1 61 61 ILE HG22 H 1 0.880 0.10 . 1 . . . . . 61 . . . 6158 1 716 . 1 1 61 61 ILE HG23 H 1 0.880 0.10 . 1 . . . . . 61 . . . 6158 1 717 . 1 1 61 61 ILE CG1 C 13 28.698 0.27 . 1 . . . . . 61 . . . 6158 1 718 . 1 1 61 61 ILE HG12 H 1 1.736 0.10 . 2 . . . . . 61 . . . 6158 1 719 . 1 1 61 61 ILE HG13 H 1 1.184 0.10 . 2 . . . . . 61 . . . 6158 1 720 . 1 1 61 61 ILE CD1 C 13 13.391 0.27 . 1 . . . . . 61 . . . 6158 1 721 . 1 1 61 61 ILE HD11 H 1 0.847 0.10 . 1 . . . . . 61 . . . 6158 1 722 . 1 1 61 61 ILE HD12 H 1 0.847 0.10 . 1 . . . . . 61 . . . 6158 1 723 . 1 1 61 61 ILE HD13 H 1 0.847 0.10 . 1 . . . . . 61 . . . 6158 1 724 . 1 1 62 62 LEU H H 1 7.957 0.01 . 1 . . . . . 62 . . . 6158 1 725 . 1 1 62 62 LEU N N 15 118.439 0.05 . 1 . . . . . 62 . . . 6158 1 726 . 1 1 62 62 LEU CA C 13 57.332 0.27 . 1 . . . . . 62 . . . 6158 1 727 . 1 1 62 62 LEU HA H 1 4.096 0.10 . 1 . . . . . 62 . . . 6158 1 728 . 1 1 62 62 LEU C C 13 178.096 0.05 . 1 . . . . . 62 . . . 6158 1 729 . 1 1 62 62 LEU CB C 13 41.782 0.27 . 1 . . . . . 62 . . . 6158 1 730 . 1 1 62 62 LEU HB3 H 1 1.535 0.10 . 2 . . . . . 62 . . . 6158 1 731 . 1 1 62 62 LEU CG C 13 26.761 0.27 . 1 . . . . . 62 . . . 6158 1 732 . 1 1 62 62 LEU CD1 C 13 25.779 0.27 . 2 . . . . . 62 . . . 6158 1 733 . 1 1 62 62 LEU HD11 H 1 0.857 0.10 . 2 . . . . . 62 . . . 6158 1 734 . 1 1 62 62 LEU HD12 H 1 0.857 0.10 . 2 . . . . . 62 . . . 6158 1 735 . 1 1 62 62 LEU HD13 H 1 0.857 0.10 . 2 . . . . . 62 . . . 6158 1 736 . 1 1 62 62 LEU CD2 C 13 23.285 0.27 . 2 . . . . . 62 . . . 6158 1 737 . 1 1 62 62 LEU HD21 H 1 0.815 0.10 . 2 . . . . . 62 . . . 6158 1 738 . 1 1 62 62 LEU HD22 H 1 0.815 0.10 . 2 . . . . . 62 . . . 6158 1 739 . 1 1 62 62 LEU HD23 H 1 0.815 0.10 . 2 . . . . . 62 . . . 6158 1 740 . 1 1 62 62 LEU HG H 1 1.865 0.10 . 1 . . . . . 62 . . . 6158 1 741 . 1 1 62 62 LEU HB2 H 1 1.851 0.10 . 2 . . . . . 62 . . . 6158 1 742 . 1 1 63 63 LEU H H 1 8.026 0.01 . 1 . . . . . 63 . . . 6158 1 743 . 1 1 63 63 LEU N N 15 115.720 0.05 . 1 . . . . . 63 . . . 6158 1 744 . 1 1 63 63 LEU CA C 13 56.249 0.27 . 1 . . . . . 63 . . . 6158 1 745 . 1 1 63 63 LEU HA H 1 4.201 0.10 . 1 . . . . . 63 . . . 6158 1 746 . 1 1 63 63 LEU C C 13 178.346 0.05 . 1 . . . . . 63 . . . 6158 1 747 . 1 1 63 63 LEU CB C 13 41.552 0.27 . 1 . . . . . 63 . . . 6158 1 748 . 1 1 63 63 LEU HB3 H 1 1.663 0.10 . 2 . . . . . 63 . . . 6158 1 749 . 1 1 63 63 LEU CG C 13 27.059 0.27 . 1 . . . . . 63 . . . 6158 1 750 . 1 1 63 63 LEU CD1 C 13 25.287 0.27 . 2 . . . . . 63 . . . 6158 1 751 . 1 1 63 63 LEU HD11 H 1 0.878 0.10 . 2 . . . . . 63 . . . 6158 1 752 . 1 1 63 63 LEU HD12 H 1 0.878 0.10 . 2 . . . . . 63 . . . 6158 1 753 . 1 1 63 63 LEU HD13 H 1 0.878 0.10 . 2 . . . . . 63 . . . 6158 1 754 . 1 1 63 63 LEU CD2 C 13 22.846 0.27 . 2 . . . . . 63 . . . 6158 1 755 . 1 1 63 63 LEU HD21 H 1 0.829 0.10 . 2 . . . . . 63 . . . 6158 1 756 . 1 1 63 63 LEU HD22 H 1 0.829 0.10 . 2 . . . . . 63 . . . 6158 1 757 . 1 1 63 63 LEU HD23 H 1 0.829 0.10 . 2 . . . . . 63 . . . 6158 1 758 . 1 1 63 63 LEU HG H 1 1.818 0.10 . 1 . . . . . 63 . . . 6158 1 759 . 1 1 63 63 LEU HB2 H 1 1.807 0.10 . 2 . . . . . 63 . . . 6158 1 760 . 1 1 64 64 GLU H H 1 7.656 0.01 . 1 . . . . . 64 . . . 6158 1 761 . 1 1 64 64 GLU N N 15 117.186 0.05 . 1 . . . . . 64 . . . 6158 1 762 . 1 1 64 64 GLU CA C 13 56.801 0.27 . 1 . . . . . 64 . . . 6158 1 763 . 1 1 64 64 GLU HA H 1 4.323 0.10 . 1 . . . . . 64 . . . 6158 1 764 . 1 1 64 64 GLU C C 13 176.739 0.05 . 1 . . . . . 64 . . . 6158 1 765 . 1 1 64 64 GLU CB C 13 30.304 0.27 . 1 . . . . . 64 . . . 6158 1 766 . 1 1 64 64 GLU CG C 13 36.111 0.27 . 1 . . . . . 64 . . . 6158 1 767 . 1 1 64 64 GLU HG3 H 1 2.307 0.10 . 2 . . . . . 64 . . . 6158 1 768 . 1 1 64 64 GLU HB2 H 1 2.120 0.10 . 1 . . . . . 64 . . . 6158 1 769 . 1 1 64 64 GLU HG2 H 1 2.358 0.10 . 2 . . . . . 64 . . . 6158 1 770 . 1 1 65 65 GLU H H 1 8.156 0.01 . 1 . . . . . 65 . . . 6158 1 771 . 1 1 65 65 GLU N N 15 117.466 0.05 . 1 . . . . . 65 . . . 6158 1 772 . 1 1 65 65 GLU CA C 13 56.863 0.27 . 1 . . . . . 65 . . . 6158 1 773 . 1 1 65 65 GLU HA H 1 4.314 0.10 . 1 . . . . . 65 . . . 6158 1 774 . 1 1 65 65 GLU C C 13 176.331 0.05 . 1 . . . . . 65 . . . 6158 1 775 . 1 1 65 65 GLU CB C 13 29.573 0.27 . 1 . . . . . 65 . . . 6158 1 776 . 1 1 65 65 GLU CG C 13 35.941 0.27 . 1 . . . . . 65 . . . 6158 1 777 . 1 1 65 65 GLU HB2 H 1 2.077 0.10 . 1 . . . . . 65 . . . 6158 1 778 . 1 1 65 65 GLU HG2 H 1 2.280 0.10 . 1 . . . . . 65 . . . 6158 1 779 . 1 1 66 66 VAL H H 1 7.808 0.01 . 1 . . . . . 66 . . . 6158 1 780 . 1 1 66 66 VAL N N 15 119.031 0.05 . 1 . . . . . 66 . . . 6158 1 781 . 1 1 66 66 VAL CA C 13 62.262 0.27 . 1 . . . . . 66 . . . 6158 1 782 . 1 1 66 66 VAL HA H 1 4.092 0.10 . 1 . . . . . 66 . . . 6158 1 783 . 1 1 66 66 VAL C C 13 174.507 0.05 . 1 . . . . . 66 . . . 6158 1 784 . 1 1 66 66 VAL CB C 13 32.449 0.27 . 1 . . . . . 66 . . . 6158 1 785 . 1 1 66 66 VAL HB H 1 2.151 0.10 . 1 . . . . . 66 . . . 6158 1 786 . 1 1 66 66 VAL CG1 C 13 21.571 0.27 . 1 . . . . . 66 . . . 6158 1 787 . 1 1 66 66 VAL HG11 H 1 0.911 0.10 . 1 . . . . . 66 . . . 6158 1 788 . 1 1 66 66 VAL HG12 H 1 0.911 0.10 . 1 . . . . . 66 . . . 6158 1 789 . 1 1 66 66 VAL HG13 H 1 0.911 0.10 . 1 . . . . . 66 . . . 6158 1 790 . 1 1 66 66 VAL CG2 C 13 21.571 0.27 . 1 . . . . . 66 . . . 6158 1 791 . 1 1 66 66 VAL HG21 H 1 0.911 0.10 . 1 . . . . . 66 . . . 6158 1 792 . 1 1 66 66 VAL HG22 H 1 0.911 0.10 . 1 . . . . . 66 . . . 6158 1 793 . 1 1 66 66 VAL HG23 H 1 0.911 0.10 . 1 . . . . . 66 . . . 6158 1 794 . 1 1 67 67 SER H H 1 7.871 0.01 . 1 . . . . . 67 . . . 6158 1 795 . 1 1 67 67 SER N N 15 119.131 0.05 . 1 . . . . . 67 . . . 6158 1 796 . 1 1 67 67 SER CA C 13 55.804 0.27 . 1 . . . . . 67 . . . 6158 1 797 . 1 1 67 67 SER HA H 1 4.895 0.10 . 1 . . . . . 67 . . . 6158 1 798 . 1 1 67 67 SER CB C 13 63.559 0.27 . 1 . . . . . 67 . . . 6158 1 799 . 1 1 67 67 SER HB3 H 1 4.010 0.10 . 2 . . . . . 67 . . . 6158 1 800 . 1 1 67 67 SER HB2 H 1 4.170 0.10 . 2 . . . . . 67 . . . 6158 1 801 . 1 1 68 68 PRO CA C 13 65.833 0.27 . 1 . . . . . 68 . . . 6158 1 802 . 1 1 68 68 PRO HA H 1 4.086 0.10 . 1 . . . . . 68 . . . 6158 1 803 . 1 1 68 68 PRO C C 13 177.427 0.05 . 1 . . . . . 68 . . . 6158 1 804 . 1 1 68 68 PRO CB C 13 32.114 0.27 . 1 . . . . . 68 . . . 6158 1 805 . 1 1 68 68 PRO HB3 H 1 2.030 0.10 . 2 . . . . . 68 . . . 6158 1 806 . 1 1 68 68 PRO CG C 13 28.204 0.27 . 1 . . . . . 68 . . . 6158 1 807 . 1 1 68 68 PRO HG3 H 1 1.932 0.10 . 2 . . . . . 68 . . . 6158 1 808 . 1 1 68 68 PRO CD C 13 50.606 0.27 . 1 . . . . . 68 . . . 6158 1 809 . 1 1 68 68 PRO HB2 H 1 2.522 0.10 . 2 . . . . . 68 . . . 6158 1 810 . 1 1 68 68 PRO HG2 H 1 2.238 0.10 . 2 . . . . . 68 . . . 6158 1 811 . 1 1 68 68 PRO HD2 H 1 4.019 0.10 . 1 . . . . . 68 . . . 6158 1 812 . 1 1 69 69 GLU H H 1 8.717 0.01 . 1 . . . . . 69 . . . 6158 1 813 . 1 1 69 69 GLU N N 15 115.892 0.05 . 1 . . . . . 69 . . . 6158 1 814 . 1 1 69 69 GLU CA C 13 59.725 0.27 . 1 . . . . . 69 . . . 6158 1 815 . 1 1 69 69 GLU HA H 1 3.917 0.10 . 1 . . . . . 69 . . . 6158 1 816 . 1 1 69 69 GLU C C 13 178.538 0.05 . 1 . . . . . 69 . . . 6158 1 817 . 1 1 69 69 GLU CB C 13 29.080 0.27 . 1 . . . . . 69 . . . 6158 1 818 . 1 1 69 69 GLU CG C 13 36.106 0.27 . 1 . . . . . 69 . . . 6158 1 819 . 1 1 69 69 GLU HB2 H 1 1.964 0.10 . 1 . . . . . 69 . . . 6158 1 820 . 1 1 69 69 GLU HG2 H 1 2.208 0.10 . 1 . . . . . 69 . . . 6158 1 821 . 1 1 70 70 LEU H H 1 7.764 0.01 . 1 . . . . . 70 . . . 6158 1 822 . 1 1 70 70 LEU N N 15 121.586 0.05 . 1 . . . . . 70 . . . 6158 1 823 . 1 1 70 70 LEU CA C 13 57.712 0.27 . 1 . . . . . 70 . . . 6158 1 824 . 1 1 70 70 LEU HA H 1 4.141 0.10 . 1 . . . . . 70 . . . 6158 1 825 . 1 1 70 70 LEU C C 13 179.377 0.05 . 1 . . . . . 70 . . . 6158 1 826 . 1 1 70 70 LEU CB C 13 41.794 0.27 . 1 . . . . . 70 . . . 6158 1 827 . 1 1 70 70 LEU CG C 13 27.297 0.27 . 1 . . . . . 70 . . . 6158 1 828 . 1 1 70 70 LEU CD1 C 13 24.725 0.27 . 2 . . . . . 70 . . . 6158 1 829 . 1 1 70 70 LEU HD11 H 1 0.935 0.10 . 2 . . . . . 70 . . . 6158 1 830 . 1 1 70 70 LEU HD12 H 1 0.935 0.10 . 2 . . . . . 70 . . . 6158 1 831 . 1 1 70 70 LEU HD13 H 1 0.935 0.10 . 2 . . . . . 70 . . . 6158 1 832 . 1 1 70 70 LEU CD2 C 13 24.248 0.27 . 2 . . . . . 70 . . . 6158 1 833 . 1 1 70 70 LEU HD21 H 1 0.977 0.10 . 2 . . . . . 70 . . . 6158 1 834 . 1 1 70 70 LEU HD22 H 1 0.977 0.10 . 2 . . . . . 70 . . . 6158 1 835 . 1 1 70 70 LEU HD23 H 1 0.977 0.10 . 2 . . . . . 70 . . . 6158 1 836 . 1 1 70 70 LEU HG H 1 1.644 0.10 . 1 . . . . . 70 . . . 6158 1 837 . 1 1 70 70 LEU HB2 H 1 1.791 0.10 . 1 . . . . . 70 . . . 6158 1 838 . 1 1 71 71 VAL H H 1 8.043 0.01 . 1 . . . . . 71 . . . 6158 1 839 . 1 1 71 71 VAL N N 15 119.151 0.05 . 1 . . . . . 71 . . . 6158 1 840 . 1 1 71 71 VAL CA C 13 66.927 0.27 . 1 . . . . . 71 . . . 6158 1 841 . 1 1 71 71 VAL HA H 1 3.520 0.10 . 1 . . . . . 71 . . . 6158 1 842 . 1 1 71 71 VAL C C 13 177.529 0.05 . 1 . . . . . 71 . . . 6158 1 843 . 1 1 71 71 VAL CB C 13 31.677 0.27 . 1 . . . . . 71 . . . 6158 1 844 . 1 1 71 71 VAL HB H 1 2.139 0.10 . 1 . . . . . 71 . . . 6158 1 845 . 1 1 71 71 VAL CG1 C 13 23.120 0.27 . 2 . . . . . 71 . . . 6158 1 846 . 1 1 71 71 VAL HG11 H 1 0.978 0.10 . 2 . . . . . 71 . . . 6158 1 847 . 1 1 71 71 VAL HG12 H 1 0.978 0.10 . 2 . . . . . 71 . . . 6158 1 848 . 1 1 71 71 VAL HG13 H 1 0.978 0.10 . 2 . . . . . 71 . . . 6158 1 849 . 1 1 71 71 VAL CG2 C 13 21.570 0.27 . 2 . . . . . 71 . . . 6158 1 850 . 1 1 71 71 VAL HG21 H 1 0.856 0.10 . 2 . . . . . 71 . . . 6158 1 851 . 1 1 71 71 VAL HG22 H 1 0.856 0.10 . 2 . . . . . 71 . . . 6158 1 852 . 1 1 71 71 VAL HG23 H 1 0.856 0.10 . 2 . . . . . 71 . . . 6158 1 853 . 1 1 72 72 CYS H H 1 8.348 0.01 . 1 . . . . . 72 . . . 6158 1 854 . 1 1 72 72 CYS N N 15 114.795 0.05 . 1 . . . . . 72 . . . 6158 1 855 . 1 1 72 72 CYS CA C 13 59.986 0.27 . 1 . . . . . 72 . . . 6158 1 856 . 1 1 72 72 CYS HA H 1 4.203 0.10 . 1 . . . . . 72 . . . 6158 1 857 . 1 1 72 72 CYS C C 13 176.848 0.05 . 1 . . . . . 72 . . . 6158 1 858 . 1 1 72 72 CYS CB C 13 43.288 0.27 . 1 . . . . . 72 . . . 6158 1 859 . 1 1 72 72 CYS HB2 H 1 3.137 0.10 . 1 . . . . . 72 . . . 6158 1 860 . 1 1 73 73 SER H H 1 8.156 0.01 . 1 . . . . . 73 . . . 6158 1 861 . 1 1 73 73 SER N N 15 117.466 0.05 . 1 . . . . . 73 . . . 6158 1 862 . 1 1 73 73 SER CA C 13 61.395 0.27 . 1 . . . . . 73 . . . 6158 1 863 . 1 1 73 73 SER HA H 1 4.655 0.10 . 1 . . . . . 73 . . . 6158 1 864 . 1 1 73 73 SER C C 13 177.773 0.05 . 1 . . . . . 73 . . . 6158 1 865 . 1 1 73 73 SER CB C 13 62.291 0.27 . 1 . . . . . 73 . . . 6158 1 866 . 1 1 73 73 SER HB3 H 1 3.890 0.10 . 2 . . . . . 73 . . . 6158 1 867 . 1 1 73 73 SER HB2 H 1 4.011 0.10 . 2 . . . . . 73 . . . 6158 1 868 . 1 1 74 74 MET H H 1 8.260 0.01 . 1 . . . . . 74 . . . 6158 1 869 . 1 1 74 74 MET N N 15 124.878 0.05 . 1 . . . . . 74 . . . 6158 1 870 . 1 1 74 74 MET CA C 13 58.705 0.27 . 1 . . . . . 74 . . . 6158 1 871 . 1 1 74 74 MET HA H 1 4.125 0.10 . 1 . . . . . 74 . . . 6158 1 872 . 1 1 74 74 MET C C 13 177.088 0.05 . 1 . . . . . 74 . . . 6158 1 873 . 1 1 74 74 MET CB C 13 32.097 0.27 . 1 . . . . . 74 . . . 6158 1 874 . 1 1 74 74 MET HB3 H 1 2.102 0.10 . 2 . . . . . 74 . . . 6158 1 875 . 1 1 74 74 MET CG C 13 32.467 0.27 . 1 . . . . . 74 . . . 6158 1 876 . 1 1 74 74 MET HG3 H 1 2.595 0.10 . 2 . . . . . 74 . . . 6158 1 877 . 1 1 74 74 MET CE C 13 17.038 0.27 . 1 . . . . . 74 . . . 6158 1 878 . 1 1 74 74 MET HE1 H 1 2.052 0.10 . 1 . . . . . 74 . . . 6158 1 879 . 1 1 74 74 MET HE2 H 1 2.052 0.10 . 1 . . . . . 74 . . . 6158 1 880 . 1 1 74 74 MET HE3 H 1 2.052 0.10 . 1 . . . . . 74 . . . 6158 1 881 . 1 1 74 74 MET HB2 H 1 2.313 0.10 . 2 . . . . . 74 . . . 6158 1 882 . 1 1 74 74 MET HG2 H 1 2.760 0.10 . 2 . . . . . 74 . . . 6158 1 883 . 1 1 75 75 LEU H H 1 7.322 0.01 . 1 . . . . . 75 . . . 6158 1 884 . 1 1 75 75 LEU N N 15 115.067 0.05 . 1 . . . . . 75 . . . 6158 1 885 . 1 1 75 75 LEU CA C 13 54.436 0.27 . 1 . . . . . 75 . . . 6158 1 886 . 1 1 75 75 LEU HA H 1 4.176 0.10 . 1 . . . . . 75 . . . 6158 1 887 . 1 1 75 75 LEU CB C 13 42.544 0.27 . 1 . . . . . 75 . . . 6158 1 888 . 1 1 75 75 LEU CG C 13 26.347 0.27 . 1 . . . . . 75 . . . 6158 1 889 . 1 1 75 75 LEU CD1 C 13 25.955 0.27 . 2 . . . . . 75 . . . 6158 1 890 . 1 1 75 75 LEU HD11 H 1 0.850 0.10 . 2 . . . . . 75 . . . 6158 1 891 . 1 1 75 75 LEU HD12 H 1 0.850 0.10 . 2 . . . . . 75 . . . 6158 1 892 . 1 1 75 75 LEU HD13 H 1 0.850 0.10 . 2 . . . . . 75 . . . 6158 1 893 . 1 1 75 75 LEU CD2 C 13 22.933 0.27 . 2 . . . . . 75 . . . 6158 1 894 . 1 1 75 75 LEU HD21 H 1 0.808 0.10 . 2 . . . . . 75 . . . 6158 1 895 . 1 1 75 75 LEU HD22 H 1 0.808 0.10 . 2 . . . . . 75 . . . 6158 1 896 . 1 1 75 75 LEU HD23 H 1 0.808 0.10 . 2 . . . . . 75 . . . 6158 1 897 . 1 1 75 75 LEU HG H 1 1.861 0.10 . 1 . . . . . 75 . . . 6158 1 898 . 1 1 75 75 LEU HB2 H 1 1.769 0.10 . 1 . . . . . 75 . . . 6158 1 899 . 1 1 76 76 HIS H H 1 7.765 0.01 . 1 . . . . . 76 . . . 6158 1 900 . 1 1 76 76 HIS CA C 13 56.563 0.27 . 1 . . . . . 76 . . . 6158 1 901 . 1 1 76 76 HIS HA H 1 4.302 0.10 . 1 . . . . . 76 . . . 6158 1 902 . 1 1 76 76 HIS C C 13 174.374 0.05 . 1 . . . . . 76 . . . 6158 1 903 . 1 1 76 76 HIS CB C 13 25.330 0.27 . 1 . . . . . 76 . . . 6158 1 904 . 1 1 76 76 HIS HB3 H 1 3.509 0.10 . 2 . . . . . 76 . . . 6158 1 905 . 1 1 76 76 HIS CD2 C 13 119.478 0.27 . 1 . . . . . 76 . . . 6158 1 906 . 1 1 76 76 HIS HD2 H 1 7.293 0.10 . 1 . . . . . 76 . . . 6158 1 907 . 1 1 76 76 HIS CE1 C 13 135.73 0.27 . 1 . . . . . 76 . . . 6158 1 908 . 1 1 76 76 HIS HE1 H 1 8.619 0.10 . 1 . . . . . 76 . . . 6158 1 909 . 1 1 76 76 HIS HB2 H 1 3.715 0.10 . 2 . . . . . 76 . . . 6158 1 910 . 1 1 77 77 LEU H H 1 7.932 0.01 . 1 . . . . . 77 . . . 6158 1 911 . 1 1 77 77 LEU N N 15 116.039 0.05 . 1 . . . . . 77 . . . 6158 1 912 . 1 1 77 77 LEU CA C 13 55.395 0.27 . 1 . . . . . 77 . . . 6158 1 913 . 1 1 77 77 LEU HA H 1 4.567 0.10 . 1 . . . . . 77 . . . 6158 1 914 . 1 1 77 77 LEU C C 13 176.979 0.05 . 1 . . . . . 77 . . . 6158 1 915 . 1 1 77 77 LEU CB C 13 42.923 0.27 . 1 . . . . . 77 . . . 6158 1 916 . 1 1 77 77 LEU HB3 H 1 1.546 0.10 . 2 . . . . . 77 . . . 6158 1 917 . 1 1 77 77 LEU CG C 13 26.890 0.27 . 1 . . . . . 77 . . . 6158 1 918 . 1 1 77 77 LEU CD1 C 13 25.992 0.27 . 2 . . . . . 77 . . . 6158 1 919 . 1 1 77 77 LEU HD11 H 1 0.959 0.10 . 2 . . . . . 77 . . . 6158 1 920 . 1 1 77 77 LEU HD12 H 1 0.959 0.10 . 2 . . . . . 77 . . . 6158 1 921 . 1 1 77 77 LEU HD13 H 1 0.959 0.10 . 2 . . . . . 77 . . . 6158 1 922 . 1 1 77 77 LEU CD2 C 13 23.387 0.27 . 2 . . . . . 77 . . . 6158 1 923 . 1 1 77 77 LEU HD21 H 1 0.896 0.10 . 2 . . . . . 77 . . . 6158 1 924 . 1 1 77 77 LEU HD22 H 1 0.896 0.10 . 2 . . . . . 77 . . . 6158 1 925 . 1 1 77 77 LEU HD23 H 1 0.896 0.10 . 2 . . . . . 77 . . . 6158 1 926 . 1 1 77 77 LEU HG H 1 1.749 0.10 . 1 . . . . . 77 . . . 6158 1 927 . 1 1 77 77 LEU HB2 H 1 1.919 0.10 . 2 . . . . . 77 . . . 6158 1 928 . 1 1 78 78 CYS H H 1 7.221 0.01 . 1 . . . . . 78 . . . 6158 1 929 . 1 1 78 78 CYS N N 15 113.437 0.05 . 1 . . . . . 78 . . . 6158 1 930 . 1 1 78 78 CYS CA C 13 54.142 0.27 . 1 . . . . . 78 . . . 6158 1 931 . 1 1 78 78 CYS HA H 1 4.957 0.10 . 1 . . . . . 78 . . . 6158 1 932 . 1 1 78 78 CYS C C 13 174.539 0.05 . 1 . . . . . 78 . . . 6158 1 933 . 1 1 78 78 CYS CB C 13 44.982 0.27 . 1 . . . . . 78 . . . 6158 1 934 . 1 1 78 78 CYS HB3 H 1 2.541 0.10 . 2 . . . . . 78 . . . 6158 1 935 . 1 1 78 78 CYS HB2 H 1 3.385 0.10 . 2 . . . . . 78 . . . 6158 1 936 . 1 1 79 79 SER H H 1 8.932 0.01 . 1 . . . . . 79 . . . 6158 1 937 . 1 1 79 79 SER N N 15 117.406 0.05 . 1 . . . . . 79 . . . 6158 1 938 . 1 1 79 79 SER CA C 13 58.460 0.27 . 1 . . . . . 79 . . . 6158 1 939 . 1 1 79 79 SER HA H 1 4.479 0.10 . 1 . . . . . 79 . . . 6158 1 940 . 1 1 79 79 SER C C 13 174.889 0.05 . 1 . . . . . 79 . . . 6158 1 941 . 1 1 79 79 SER CB C 13 63.623 0.27 . 1 . . . . . 79 . . . 6158 1 942 . 1 1 79 79 SER HB2 H 1 3.876 0.10 . 1 . . . . . 79 . . . 6158 1 943 . 1 1 80 80 GLY H H 1 8.406 0.01 . 1 . . . . . 80 . . . 6158 1 944 . 1 1 80 80 GLY N N 15 110.227 0.05 . 1 . . . . . 80 . . . 6158 1 945 . 1 1 80 80 GLY CA C 13 45.282 0.27 . 1 . . . . . 80 . . . 6158 1 946 . 1 1 80 80 GLY C C 13 173.905 0.05 . 1 . . . . . 80 . . . 6158 1 947 . 1 1 80 80 GLY HA2 H 1 3.948 0.10 . 1 . . . . . 80 . . . 6158 1 948 . 1 1 81 81 LEU H H 1 8.125 0.01 . 1 . . . . . 81 . . . 6158 1 949 . 1 1 81 81 LEU N N 15 121.065 0.05 . 1 . . . . . 81 . . . 6158 1 950 . 1 1 81 81 LEU CA C 13 55.068 0.27 . 1 . . . . . 81 . . . 6158 1 951 . 1 1 81 81 LEU HA H 1 4.307 0.10 . 1 . . . . . 81 . . . 6158 1 952 . 1 1 81 81 LEU C C 13 177.032 0.05 . 1 . . . . . 81 . . . 6158 1 953 . 1 1 81 81 LEU CB C 13 42.312 0.27 . 1 . . . . . 81 . . . 6158 1 954 . 1 1 81 81 LEU CG C 13 26.864 0.27 . 1 . . . . . 81 . . . 6158 1 955 . 1 1 81 81 LEU CD1 C 13 24.913 0.27 . 2 . . . . . 81 . . . 6158 1 956 . 1 1 81 81 LEU HD11 H 1 0.875 0.10 . 2 . . . . . 81 . . . 6158 1 957 . 1 1 81 81 LEU HD12 H 1 0.875 0.10 . 2 . . . . . 81 . . . 6158 1 958 . 1 1 81 81 LEU HD13 H 1 0.875 0.10 . 2 . . . . . 81 . . . 6158 1 959 . 1 1 81 81 LEU CD2 C 13 23.390 0.27 . 2 . . . . . 81 . . . 6158 1 960 . 1 1 81 81 LEU HD21 H 1 0.838 0.10 . 2 . . . . . 81 . . . 6158 1 961 . 1 1 81 81 LEU HD22 H 1 0.838 0.10 . 2 . . . . . 81 . . . 6158 1 962 . 1 1 81 81 LEU HD23 H 1 0.838 0.10 . 2 . . . . . 81 . . . 6158 1 963 . 1 1 81 81 LEU HG H 1 1.538 0.10 . 1 . . . . . 81 . . . 6158 1 964 . 1 1 81 81 LEU HB2 H 1 1.551 0.10 . 1 . . . . . 81 . . . 6158 1 965 . 1 1 82 82 VAL H H 1 8.007 0.01 . 1 . . . . . 82 . . . 6158 1 966 . 1 1 82 82 VAL N N 15 121.903 0.05 . 1 . . . . . 82 . . . 6158 1 967 . 1 1 82 82 VAL CA C 13 59.437 0.27 . 1 . . . . . 82 . . . 6158 1 968 . 1 1 82 82 VAL HA H 1 4.399 0.10 . 1 . . . . . 82 . . . 6158 1 969 . 1 1 82 82 VAL CB C 13 32.666 0.27 . 1 . . . . . 82 . . . 6158 1 970 . 1 1 82 82 VAL HB H 1 2.052 0.10 . 1 . . . . . 82 . . . 6158 1 971 . 1 1 82 82 VAL CG1 C 13 20.913 0.27 . 2 . . . . . 82 . . . 6158 1 972 . 1 1 82 82 VAL HG11 H 1 0.940 0.10 . 2 . . . . . 82 . . . 6158 1 973 . 1 1 82 82 VAL HG12 H 1 0.940 0.10 . 2 . . . . . 82 . . . 6158 1 974 . 1 1 82 82 VAL HG13 H 1 0.940 0.10 . 2 . . . . . 82 . . . 6158 1 975 . 1 1 82 82 VAL CG2 C 13 20.311 0.27 . 2 . . . . . 82 . . . 6158 1 976 . 1 1 82 82 VAL HG21 H 1 0.895 0.10 . 2 . . . . . 82 . . . 6158 1 977 . 1 1 82 82 VAL HG22 H 1 0.895 0.10 . 2 . . . . . 82 . . . 6158 1 978 . 1 1 82 82 VAL HG23 H 1 0.895 0.10 . 2 . . . . . 82 . . . 6158 1 979 . 1 1 83 83 PRO CA C 13 63.273 0.27 . 1 . . . . . 83 . . . 6158 1 980 . 1 1 83 83 PRO HA H 1 4.391 0.10 . 1 . . . . . 83 . . . 6158 1 981 . 1 1 83 83 PRO C C 13 175.847 0.05 . 1 . . . . . 83 . . . 6158 1 982 . 1 1 83 83 PRO CB C 13 31.757 0.27 . 1 . . . . . 83 . . . 6158 1 983 . 1 1 83 83 PRO HB3 H 1 1.946 0.10 . 2 . . . . . 83 . . . 6158 1 984 . 1 1 83 83 PRO CG C 13 27.245 0.27 . 1 . . . . . 83 . . . 6158 1 985 . 1 1 83 83 PRO HG3 H 1 1.971 0.10 . 2 . . . . . 83 . . . 6158 1 986 . 1 1 83 83 PRO CD C 13 50.939 0.27 . 1 . . . . . 83 . . . 6158 1 987 . 1 1 83 83 PRO HD3 H 1 3.696 0.10 . 2 . . . . . 83 . . . 6158 1 988 . 1 1 83 83 PRO HB2 H 1 2.248 0.10 . 2 . . . . . 83 . . . 6158 1 989 . 1 1 83 83 PRO HG2 H 1 2.026 0.10 . 2 . . . . . 83 . . . 6158 1 990 . 1 1 83 83 PRO HD2 H 1 3.798 0.10 . 2 . . . . . 83 . . . 6158 1 991 . 1 1 84 84 ARG H H 1 7.957 0.01 . 1 . . . . . 84 . . . 6158 1 992 . 1 1 84 84 ARG N N 15 126.633 0.05 . 1 . . . . . 84 . . . 6158 1 993 . 1 1 84 84 ARG CA C 13 57.122 0.27 . 1 . . . . . 84 . . . 6158 1 994 . 1 1 84 84 ARG HA H 1 4.163 0.10 . 1 . . . . . 84 . . . 6158 1 995 . 1 1 84 84 ARG CB C 13 31.595 0.27 . 1 . . . . . 84 . . . 6158 1 996 . 1 1 84 84 ARG HB3 H 1 1.700 0.10 . 2 . . . . . 84 . . . 6158 1 997 . 1 1 84 84 ARG CG C 13 27.141 0.27 . 1 . . . . . 84 . . . 6158 1 998 . 1 1 84 84 ARG CD C 13 43.281 0.27 . 1 . . . . . 84 . . . 6158 1 999 . 1 1 84 84 ARG HB2 H 1 1.847 0.10 . 2 . . . . . 84 . . . 6158 1 1000 . 1 1 84 84 ARG HG2 H 1 1.631 0.10 . 1 . . . . . 84 . . . 6158 1 1001 . 1 1 84 84 ARG HD2 H 1 3.185 0.10 . 1 . . . . . 84 . . . 6158 1 stop_ save_