data_19179 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19179 _Entry.Title ; ORF PP_3909 from Pseudomonas putida KT2440 encoding a protein similar to bacteriophage lambda ea8.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-18 _Entry.Accession_date 2013-04-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 ; The structure of this gene product is a hybrid of a homeodomain fold and a helix-strand-strand zinc binding domain. Disordered N-terminal amino acids 1-17. Disordered loop in the homeodomain helix-turn-helix spanning amino acids 59-66. Disordered C-terminal amino acids 91-92. ; 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 Logan Donaldson . W. . . 19179 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19179 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . york . 19179 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID bacteriophage . 19179 homeodomain . 19179 'putative transcription factor' . 19179 'zinc binding' . 19179 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19179 spectral_peak_list 1 19179 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 19179 '15N chemical shifts' 75 19179 '1H chemical shifts' 477 19179 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 2 . . 2013-12-09 2013-04-18 update BMRB 'update entry citation' 19179 1 . . 2013-06-10 2013-04-18 original author 'original release' 19179 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19178 ; MS1 (Enteropathogenic Escherichia coli 0111:H- str. 11128 ORF EC0111_1119 similar to bacteriophage lambda ea8.5) ; 19179 PDB 2M7B 'BMRB Entry Tracking System' 19179 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19179 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23672713 _Citation.Full_citation . _Citation.Title ; The Solution Structures of Two Prophage Homologues of the Bacteriophage Ea8.5 Protein Reveal a Newly Discovered Hybrid Homeodomain/Zinc-Finger Fold. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 52 _Citation.Journal_issue 21 _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 3612 _Citation.Page_last 3614 _Citation.Year 2013 _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 Jamie Kwan . J. . . 19179 1 2 Ekaterina Smirnova . . . . 19179 1 3 Shahin Khazai . . . . 19179 1 4 Ferenc Evanics . . . . 19179 1 5 Karen Maxwell . L. . . 19179 1 6 Logan Donaldson . W. . . 19179 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19179 _Assembly.ID 1 _Assembly.Name mol1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 10196.0386 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 mol1 1 $mol1 A . yes native yes no . . . 19179 1 2 'Zinc ions' 2 $entity_ZN . . no native yes no . . . 19179 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mol1 _Entity.Sf_category entity _Entity.Sf_framecode mol1 _Entity.Entry_ID 19179 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mol1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGGIKRLMEEEDAKYSEAVY IAIEAGTLAECEVHEGTYFS DSGDISEAEELAREKFEKGE VSNFDDVEELVKKVVAVCEE LGAEECFSCDFD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment all _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10196.0386 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GenBank 24987239 . 24987239 . . . 'locus AE015451' . . . . . . . . . . 19179 1 2 no PDB 2M7B . ; Orf Pp_3909 From Pseudomonas Putida Kt2440 Encoding A Protein Similar To Bacteriophage Lambda Ea8.5 ; . . . . . 100.00 94 100.00 100.00 4.75e-55 . . . . 19179 1 3 no GB AAN69503 . 'hypothetical protein PP_3909 [Pseudomonas putida KT2440]' . . . . . 100.00 92 100.00 100.00 4.84e-55 . . . . 19179 1 4 no GB KMU94681 . 'hypothetical protein AC138_17825 [Pseudomonas putida]' . . . . . 100.00 92 100.00 100.00 4.84e-55 . . . . 19179 1 5 no GB KMY31145 . 'hypothetical protein AA993_19965 [Pseudomonas putida]' . . . . . 100.00 92 100.00 100.00 4.84e-55 . . . . 19179 1 6 no REF NP_746039 . 'hypothetical protein PP_3909 [Pseudomonas putida KT2440]' . . . . . 100.00 92 100.00 100.00 4.84e-55 . . . . 19179 1 7 no REF WP_010954735 . 'hypothetical protein [Pseudomonas putida]' . . . . . 100.00 92 100.00 100.00 4.84e-55 . . . . 19179 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 MET . 19179 1 2 2 GLY . 19179 1 3 3 GLY . 19179 1 4 4 ILE . 19179 1 5 5 LYS . 19179 1 6 6 ARG . 19179 1 7 7 LEU . 19179 1 8 8 MET . 19179 1 9 9 GLU . 19179 1 10 10 GLU . 19179 1 11 11 GLU . 19179 1 12 12 ASP . 19179 1 13 13 ALA . 19179 1 14 14 LYS . 19179 1 15 15 TYR . 19179 1 16 16 SER . 19179 1 17 17 GLU . 19179 1 18 18 ALA . 19179 1 19 19 VAL . 19179 1 20 20 TYR . 19179 1 21 21 ILE . 19179 1 22 22 ALA . 19179 1 23 23 ILE . 19179 1 24 24 GLU . 19179 1 25 25 ALA . 19179 1 26 26 GLY . 19179 1 27 27 THR . 19179 1 28 28 LEU . 19179 1 29 29 ALA . 19179 1 30 30 GLU . 19179 1 31 31 CYS . 19179 1 32 32 GLU . 19179 1 33 33 VAL . 19179 1 34 34 HIS . 19179 1 35 35 GLU . 19179 1 36 36 GLY . 19179 1 37 37 THR . 19179 1 38 38 TYR . 19179 1 39 39 PHE . 19179 1 40 40 SER . 19179 1 41 41 ASP . 19179 1 42 42 SER . 19179 1 43 43 GLY . 19179 1 44 44 ASP . 19179 1 45 45 ILE . 19179 1 46 46 SER . 19179 1 47 47 GLU . 19179 1 48 48 ALA . 19179 1 49 49 GLU . 19179 1 50 50 GLU . 19179 1 51 51 LEU . 19179 1 52 52 ALA . 19179 1 53 53 ARG . 19179 1 54 54 GLU . 19179 1 55 55 LYS . 19179 1 56 56 PHE . 19179 1 57 57 GLU . 19179 1 58 58 LYS . 19179 1 59 59 GLY . 19179 1 60 60 GLU . 19179 1 61 61 VAL . 19179 1 62 62 SER . 19179 1 63 63 ASN . 19179 1 64 64 PHE . 19179 1 65 65 ASP . 19179 1 66 66 ASP . 19179 1 67 67 VAL . 19179 1 68 68 GLU . 19179 1 69 69 GLU . 19179 1 70 70 LEU . 19179 1 71 71 VAL . 19179 1 72 72 LYS . 19179 1 73 73 LYS . 19179 1 74 74 VAL . 19179 1 75 75 VAL . 19179 1 76 76 ALA . 19179 1 77 77 VAL . 19179 1 78 78 CYS . 19179 1 79 79 GLU . 19179 1 80 80 GLU . 19179 1 81 81 LEU . 19179 1 82 82 GLY . 19179 1 83 83 ALA . 19179 1 84 84 GLU . 19179 1 85 85 GLU . 19179 1 86 86 CYS . 19179 1 87 87 PHE . 19179 1 88 88 SER . 19179 1 89 89 CYS . 19179 1 90 90 ASP . 19179 1 91 91 PHE . 19179 1 92 92 ASP . 19179 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 . MET 1 1 19179 1 . GLY 2 2 19179 1 . GLY 3 3 19179 1 . ILE 4 4 19179 1 . LYS 5 5 19179 1 . ARG 6 6 19179 1 . LEU 7 7 19179 1 . MET 8 8 19179 1 . GLU 9 9 19179 1 . GLU 10 10 19179 1 . GLU 11 11 19179 1 . ASP 12 12 19179 1 . ALA 13 13 19179 1 . LYS 14 14 19179 1 . TYR 15 15 19179 1 . SER 16 16 19179 1 . GLU 17 17 19179 1 . ALA 18 18 19179 1 . VAL 19 19 19179 1 . TYR 20 20 19179 1 . ILE 21 21 19179 1 . ALA 22 22 19179 1 . ILE 23 23 19179 1 . GLU 24 24 19179 1 . ALA 25 25 19179 1 . GLY 26 26 19179 1 . THR 27 27 19179 1 . LEU 28 28 19179 1 . ALA 29 29 19179 1 . GLU 30 30 19179 1 . CYS 31 31 19179 1 . GLU 32 32 19179 1 . VAL 33 33 19179 1 . HIS 34 34 19179 1 . GLU 35 35 19179 1 . GLY 36 36 19179 1 . THR 37 37 19179 1 . TYR 38 38 19179 1 . PHE 39 39 19179 1 . SER 40 40 19179 1 . ASP 41 41 19179 1 . SER 42 42 19179 1 . GLY 43 43 19179 1 . ASP 44 44 19179 1 . ILE 45 45 19179 1 . SER 46 46 19179 1 . GLU 47 47 19179 1 . ALA 48 48 19179 1 . GLU 49 49 19179 1 . GLU 50 50 19179 1 . LEU 51 51 19179 1 . ALA 52 52 19179 1 . ARG 53 53 19179 1 . GLU 54 54 19179 1 . LYS 55 55 19179 1 . PHE 56 56 19179 1 . GLU 57 57 19179 1 . LYS 58 58 19179 1 . GLY 59 59 19179 1 . GLU 60 60 19179 1 . VAL 61 61 19179 1 . SER 62 62 19179 1 . ASN 63 63 19179 1 . PHE 64 64 19179 1 . ASP 65 65 19179 1 . ASP 66 66 19179 1 . VAL 67 67 19179 1 . GLU 68 68 19179 1 . GLU 69 69 19179 1 . LEU 70 70 19179 1 . VAL 71 71 19179 1 . LYS 72 72 19179 1 . LYS 73 73 19179 1 . VAL 74 74 19179 1 . VAL 75 75 19179 1 . ALA 76 76 19179 1 . VAL 77 77 19179 1 . CYS 78 78 19179 1 . GLU 79 79 19179 1 . GLU 80 80 19179 1 . LEU 81 81 19179 1 . GLY 82 82 19179 1 . ALA 83 83 19179 1 . GLU 84 84 19179 1 . GLU 85 85 19179 1 . CYS 86 86 19179 1 . PHE 87 87 19179 1 . SER 88 88 19179 1 . CYS 89 89 19179 1 . ASP 90 90 19179 1 . PHE 91 91 19179 1 . ASP 92 92 19179 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19179 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19179 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19179 2 ZN 'Three letter code' 19179 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 19179 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19179 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19179 _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 $mol1 . 303 organism . 'Pseudomonas putida' g-proteobacteria . . Bacteria . Pseudomonas putida KT2440 . . . . . . . . . . PP_3909 . 19179 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 19179 _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 $mol1 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . pGEX4T2 . . . 19179 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19179 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19179 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19179 ZN [Zn++] SMILES CACTVS 3.341 19179 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19179 ZN [Zn+2] SMILES ACDLabs 10.04 19179 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19179 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19179 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19179 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19179 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19179 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19179 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 mol1 '[U-99% 13C; U-99% 15N]' . . 1 $mol1 . . 0.6 . . mM . . . . 19179 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 19179 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 19179 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 19179 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.150 . M 19179 1 pH 7.800 . pH 19179 1 pressure 1.000 . atm 19179 1 temperature 293.000 . K 19179 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19179 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.2 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19179 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19179 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19179 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19179 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19179 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19179 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19179 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19179 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19179 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model NMRS _NMR_spectrometer.Serial_number SN41045 _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19179 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian NMRS SN41045 600 . . . 19179 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 19179 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 11 '2D CBHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 12 '2D CBHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 13 '3D (H)C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19179 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19179 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19179 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19179 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19179 _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_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $sample_1 isotropic 19179 1 2 '2D 1H-13C HSQC aliphatic' . . . 19179 1 3 '2D 1H-13C HSQC aromatic' . . . 19179 1 4 '3D CBCA(CO)NH' . . . 19179 1 5 '3D C(CO)NH' . . . 19179 1 6 '3D HNCO' . . . 19179 1 7 '3D HNCACB' . . . 19179 1 8 '3D HBHA(CO)NH' . . . 19179 1 9 '3D HN(CA)CO' . . . 19179 1 10 '3D H(CCO)NH' . . . 19179 1 11 '2D CBHD' . . . 19179 1 12 '2D CBHE' . . . 19179 1 13 '3D (H)C(CO)NH' . . . 19179 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 4 4 ILE HG21 H 1 0.936 . . 1 . . 430 . . 4 ILE HG21 . 19179 1 2 . 1 1 4 4 ILE HG22 H 1 0.936 . . 1 . . 430 . . 4 ILE HG22 . 19179 1 3 . 1 1 4 4 ILE HG23 H 1 0.936 . . 1 . . 430 . . 4 ILE HG23 . 19179 1 4 . 1 1 4 4 ILE HD11 H 1 0.892 . . 1 . . 420 . . 4 ILE HD11 . 19179 1 5 . 1 1 4 4 ILE HD12 H 1 0.892 . . 1 . . 420 . . 4 ILE HD12 . 19179 1 6 . 1 1 4 4 ILE HD13 H 1 0.892 . . 1 . . 420 . . 4 ILE HD13 . 19179 1 7 . 1 1 4 4 ILE CB C 13 38.833 . . 1 . . 739 . . 4 ILE CB . 19179 1 8 . 1 1 4 4 ILE CG1 C 13 27.236 . . 1 . . 738 . . 4 ILE CG1 . 19179 1 9 . 1 1 4 4 ILE CG2 C 13 17.729 . . 1 . . 429 . . 4 ILE CG2 . 19179 1 10 . 1 1 4 4 ILE CD1 C 13 12.994 . . 1 . . 421 . . 4 ILE CD1 . 19179 1 11 . 1 1 13 13 ALA C C 13 180.627 . . 1 . . 182 . . 13 ALA C . 19179 1 12 . 1 1 14 14 LYS H H 1 7.986 . . 1 . . 101 . . 14 LYS H . 19179 1 13 . 1 1 14 14 LYS N N 15 118.085 . . 1 . . 102 . . 14 LYS N . 19179 1 14 . 1 1 15 15 TYR HD1 H 1 7.154 . . 3 . . 675 . . 15 TYR HD1 . 19179 1 15 . 1 1 15 15 TYR HD2 H 1 7.154 . . 3 . . 675 . . 15 TYR HD2 . 19179 1 16 . 1 1 15 15 TYR HE1 H 1 6.859 . . 3 . . 677 . . 15 TYR HE1 . 19179 1 17 . 1 1 15 15 TYR HE2 H 1 6.859 . . 3 . . 677 . . 15 TYR HE2 . 19179 1 18 . 1 1 15 15 TYR CB C 13 38.333 . . 1 . . 676 . . 15 TYR CB . 19179 1 19 . 1 1 15 15 TYR CD1 C 13 133.258 . . 3 . . 682 . . 15 TYR CD1 . 19179 1 20 . 1 1 15 15 TYR CD2 C 13 133.258 . . 3 . . 682 . . 15 TYR CD2 . 19179 1 21 . 1 1 15 15 TYR CE1 C 13 118.442 . . 3 . . 392 . . 15 TYR CE1 . 19179 1 22 . 1 1 15 15 TYR CE2 C 13 118.442 . . 3 . . 392 . . 15 TYR CE2 . 19179 1 23 . 1 1 17 17 GLU C C 13 178.498 . . 1 . . 181 . A 17 GLU C . 19179 1 24 . 1 1 18 18 ALA H H 1 8.085 . . 1 . . 103 . A 18 ALA H . 19179 1 25 . 1 1 18 18 ALA HB1 H 1 1.350 . . 1 . . 450 . A 18 ALA HB1 . 19179 1 26 . 1 1 18 18 ALA HB2 H 1 1.350 . . 1 . . 450 . A 18 ALA HB2 . 19179 1 27 . 1 1 18 18 ALA HB3 H 1 1.350 . . 1 . . 450 . A 18 ALA HB3 . 19179 1 28 . 1 1 18 18 ALA CA C 13 55.374 . . 1 . . 736 . A 18 ALA CA . 19179 1 29 . 1 1 18 18 ALA CB C 13 18.425 . . 1 . . 451 . A 18 ALA CB . 19179 1 30 . 1 1 18 18 ALA N N 15 117.689 . . 1 . . 104 . A 18 ALA N . 19179 1 31 . 1 1 19 19 VAL HB H 1 1.810 . . 1 . . 744 . A 19 VAL HB . 19179 1 32 . 1 1 19 19 VAL HG11 H 1 0.399 . . 2 . . 439 . A 19 VAL HG11 . 19179 1 33 . 1 1 19 19 VAL HG12 H 1 0.399 . . 2 . . 439 . A 19 VAL HG12 . 19179 1 34 . 1 1 19 19 VAL HG13 H 1 0.399 . . 2 . . 439 . A 19 VAL HG13 . 19179 1 35 . 1 1 19 19 VAL HG21 H 1 -0.092 . . 2 . . 437 . A 19 VAL HG21 . 19179 1 36 . 1 1 19 19 VAL HG22 H 1 -0.092 . . 2 . . 437 . A 19 VAL HG22 . 19179 1 37 . 1 1 19 19 VAL HG23 H 1 -0.092 . . 2 . . 437 . A 19 VAL HG23 . 19179 1 38 . 1 1 19 19 VAL C C 13 177.450 . . 1 . . 163 . A 19 VAL C . 19179 1 39 . 1 1 19 19 VAL CA C 13 66.812 . . 1 . . 251 . A 19 VAL CA . 19179 1 40 . 1 1 19 19 VAL CB C 13 31.269 . . 1 . . 250 . A 19 VAL CB . 19179 1 41 . 1 1 19 19 VAL CG1 C 13 23.807 . . 2 . . 440 . A 19 VAL CG1 . 19179 1 42 . 1 1 19 19 VAL CG2 C 13 20.232 . . 2 . . 438 . A 19 VAL CG2 . 19179 1 43 . 1 1 20 20 TYR H H 1 8.138 . . 1 . . 89 . A 20 TYR H . 19179 1 44 . 1 1 20 20 TYR HA H 1 4.125 . . 1 . . 769 . A 20 TYR HA . 19179 1 45 . 1 1 20 20 TYR HB2 H 1 3.153 . . 2 . . 761 . A 20 TYR HB2 . 19179 1 46 . 1 1 20 20 TYR HB3 H 1 3.261 . . 2 . . 760 . A 20 TYR HB3 . 19179 1 47 . 1 1 20 20 TYR HD1 H 1 7.260 . . 3 . . 396 . A 20 TYR HD1 . 19179 1 48 . 1 1 20 20 TYR HD2 H 1 7.260 . . 3 . . 396 . A 20 TYR HD2 . 19179 1 49 . 1 1 20 20 TYR HE1 H 1 6.831 . . 3 . . 382 . A 20 TYR HE1 . 19179 1 50 . 1 1 20 20 TYR HE2 H 1 6.831 . . 3 . . 382 . A 20 TYR HE2 . 19179 1 51 . 1 1 20 20 TYR C C 13 179.914 . . 1 . . 199 . A 20 TYR C . 19179 1 52 . 1 1 20 20 TYR CA C 13 62.330 . . 1 . . 249 . A 20 TYR CA . 19179 1 53 . 1 1 20 20 TYR CB C 13 37.182 . . 1 . . 381 . A 20 TYR CB . 19179 1 54 . 1 1 20 20 TYR CD1 C 13 133.031 . . 3 . . 683 . A 20 TYR CD1 . 19179 1 55 . 1 1 20 20 TYR CD2 C 13 133.031 . . 3 . . 683 . A 20 TYR CD2 . 19179 1 56 . 1 1 20 20 TYR CE1 C 13 118.015 . . 3 . . 391 . A 20 TYR CE1 . 19179 1 57 . 1 1 20 20 TYR CE2 C 13 118.015 . . 3 . . 391 . A 20 TYR CE2 . 19179 1 58 . 1 1 20 20 TYR N N 15 116.865 . . 1 . . 90 . A 20 TYR N . 19179 1 59 . 1 1 21 21 ILE H H 1 8.112 . . 1 . . 115 . A 21 ILE H . 19179 1 60 . 1 1 21 21 ILE HA H 1 3.658 . . 1 . . 401 . A 21 ILE HA . 19179 1 61 . 1 1 21 21 ILE HB H 1 1.895 . . 1 . . 402 . A 21 ILE HB . 19179 1 62 . 1 1 21 21 ILE HG12 H 1 0.939 . . 2 . . 498 . A 21 ILE HG12 . 19179 1 63 . 1 1 21 21 ILE HG13 H 1 0.912 . . 2 . . 499 . A 21 ILE HG13 . 19179 1 64 . 1 1 21 21 ILE HG21 H 1 0.784 . . 1 . . 408 . A 21 ILE HG21 . 19179 1 65 . 1 1 21 21 ILE HG22 H 1 0.784 . . 1 . . 408 . A 21 ILE HG22 . 19179 1 66 . 1 1 21 21 ILE HG23 H 1 0.784 . . 1 . . 408 . A 21 ILE HG23 . 19179 1 67 . 1 1 21 21 ILE HD11 H 1 0.892 . . 1 . . 423 . A 21 ILE HD11 . 19179 1 68 . 1 1 21 21 ILE HD12 H 1 0.892 . . 1 . . 423 . A 21 ILE HD12 . 19179 1 69 . 1 1 21 21 ILE HD13 H 1 0.892 . . 1 . . 423 . A 21 ILE HD13 . 19179 1 70 . 1 1 21 21 ILE C C 13 176.306 . . 1 . . 149 . A 21 ILE C . 19179 1 71 . 1 1 21 21 ILE CA C 13 66.099 . . 1 . . 247 . A 21 ILE CA . 19179 1 72 . 1 1 21 21 ILE CB C 13 37.886 . . 1 . . 248 . A 21 ILE CB . 19179 1 73 . 1 1 21 21 ILE CG1 C 13 30.468 . . 1 . . 737 . A 21 ILE CG1 . 19179 1 74 . 1 1 21 21 ILE CG2 C 13 16.976 . . 1 . . 380 . A 21 ILE CG2 . 19179 1 75 . 1 1 21 21 ILE CD1 C 13 14.649 . . 1 . . 424 . A 21 ILE CD1 . 19179 1 76 . 1 1 21 21 ILE N N 15 122.973 . . 1 . . 116 . A 21 ILE N . 19179 1 77 . 1 1 22 22 ALA H H 1 7.839 . . 1 . . 79 . A 22 ALA H . 19179 1 78 . 1 1 22 22 ALA HA H 1 3.847 . . 1 . . 403 . A 22 ALA HA . 19179 1 79 . 1 1 22 22 ALA HB1 H 1 1.321 . . 1 . . 404 . A 22 ALA HB1 . 19179 1 80 . 1 1 22 22 ALA HB2 H 1 1.321 . . 1 . . 404 . A 22 ALA HB2 . 19179 1 81 . 1 1 22 22 ALA HB3 H 1 1.321 . . 1 . . 404 . A 22 ALA HB3 . 19179 1 82 . 1 1 22 22 ALA C C 13 179.987 . . 1 . . 165 . A 22 ALA C . 19179 1 83 . 1 1 22 22 ALA CA C 13 55.184 . . 1 . . 245 . A 22 ALA CA . 19179 1 84 . 1 1 22 22 ALA CB C 13 18.934 . . 1 . . 246 . A 22 ALA CB . 19179 1 85 . 1 1 22 22 ALA N N 15 122.302 . . 1 . . 80 . A 22 ALA N . 19179 1 86 . 1 1 23 23 ILE H H 1 8.328 . . 1 . . 687 . A 23 ILE H . 19179 1 87 . 1 1 23 23 ILE HA H 1 4.370 . . 1 . . 405 . A 23 ILE HA . 19179 1 88 . 1 1 23 23 ILE HB H 1 1.740 . . 1 . . 406 . A 23 ILE HB . 19179 1 89 . 1 1 23 23 ILE HG21 H 1 0.966 . . 1 . . 407 . A 23 ILE HG21 . 19179 1 90 . 1 1 23 23 ILE HG22 H 1 0.966 . . 1 . . 407 . A 23 ILE HG22 . 19179 1 91 . 1 1 23 23 ILE HG23 H 1 0.966 . . 1 . . 407 . A 23 ILE HG23 . 19179 1 92 . 1 1 23 23 ILE HD11 H 1 0.634 . . 1 . . 426 . A 23 ILE HD11 . 19179 1 93 . 1 1 23 23 ILE HD12 H 1 0.634 . . 1 . . 426 . A 23 ILE HD12 . 19179 1 94 . 1 1 23 23 ILE HD13 H 1 0.634 . . 1 . . 426 . A 23 ILE HD13 . 19179 1 95 . 1 1 23 23 ILE C C 13 180.184 . . 1 . . 691 . A 23 ILE C . 19179 1 96 . 1 1 23 23 ILE CA C 13 63.705 . . 1 . . 689 . A 23 ILE CA . 19179 1 97 . 1 1 23 23 ILE CB C 13 38.342 . . 1 . . 690 . A 23 ILE CB . 19179 1 98 . 1 1 23 23 ILE CG1 C 13 28.789 . . 1 . . 730 . A 23 ILE CG1 . 19179 1 99 . 1 1 23 23 ILE CG2 C 13 18.550 . . 1 . . 427 . A 23 ILE CG2 . 19179 1 100 . 1 1 23 23 ILE CD1 C 13 14.396 . . 1 . . 425 . A 23 ILE CD1 . 19179 1 101 . 1 1 23 23 ILE N N 15 119.408 . . 1 . . 688 . A 23 ILE N . 19179 1 102 . 1 1 24 24 GLU H H 1 8.344 . . 1 . . 47 . A 24 GLU H . 19179 1 103 . 1 1 24 24 GLU HA H 1 3.888 . . 1 . . 416 . A 24 GLU HA . 19179 1 104 . 1 1 24 24 GLU HB2 H 1 2.122 . . 2 . . 413 . A 24 GLU HB2 . 19179 1 105 . 1 1 24 24 GLU HB3 H 1 2.082 . . 2 . . 417 . A 24 GLU HB3 . 19179 1 106 . 1 1 24 24 GLU HG2 H 1 2.126 . . 2 . . 415 . A 24 GLU HG2 . 19179 1 107 . 1 1 24 24 GLU HG3 H 1 2.305 . . 2 . . 414 . A 24 GLU HG3 . 19179 1 108 . 1 1 24 24 GLU C C 13 178.861 . . 1 . . 332 . A 24 GLU C . 19179 1 109 . 1 1 24 24 GLU CA C 13 52.588 . . 1 . . 243 . A 24 GLU CA . 19179 1 110 . 1 1 24 24 GLU CB C 13 29.086 . . 1 . . 244 . A 24 GLU CB . 19179 1 111 . 1 1 24 24 GLU CG C 13 36.139 . . 1 . . 379 . A 24 GLU CG . 19179 1 112 . 1 1 24 24 GLU N N 15 125.684 . . 1 . . 48 . A 24 GLU N . 19179 1 113 . 1 1 25 25 ALA H H 1 8.228 . . 1 . . 91 . A 25 ALA H . 19179 1 114 . 1 1 25 25 ALA HA H 1 4.192 . . 1 . . 409 . A 25 ALA HA . 19179 1 115 . 1 1 25 25 ALA HB1 H 1 1.415 . . 1 . . 410 . A 25 ALA HB1 . 19179 1 116 . 1 1 25 25 ALA HB2 H 1 1.415 . . 1 . . 410 . A 25 ALA HB2 . 19179 1 117 . 1 1 25 25 ALA HB3 H 1 1.415 . . 1 . . 410 . A 25 ALA HB3 . 19179 1 118 . 1 1 25 25 ALA C C 13 177.866 . . 1 . . 331 . A 25 ALA C . 19179 1 119 . 1 1 25 25 ALA CA C 13 52.460 . . 1 . . 242 . A 25 ALA CA . 19179 1 120 . 1 1 25 25 ALA CB C 13 19.331 . . 1 . . 452 . A 25 ALA CB . 19179 1 121 . 1 1 25 25 ALA N N 15 117.589 . . 1 . . 92 . A 25 ALA N . 19179 1 122 . 1 1 26 26 GLY H H 1 8.189 . . 1 . . 37 . A 26 GLY H . 19179 1 123 . 1 1 26 26 GLY HA2 H 1 4.275 . . 2 . . 412 . A 26 GLY HA2 . 19179 1 124 . 1 1 26 26 GLY HA3 H 1 4.101 . . 2 . . 411 . A 26 GLY HA3 . 19179 1 125 . 1 1 26 26 GLY C C 13 173.535 . . 1 . . 184 . A 26 GLY C . 19179 1 126 . 1 1 26 26 GLY CA C 13 44.787 . . 1 . . 241 . A 26 GLY CA . 19179 1 127 . 1 1 26 26 GLY N N 15 110.573 . . 1 . . 38 . A 26 GLY N . 19179 1 128 . 1 1 27 27 THR H H 1 7.919 . . 1 . . 125 . A 27 THR H . 19179 1 129 . 1 1 27 27 THR HA H 1 4.445 . . 1 . . 418 . A 27 THR HA . 19179 1 130 . 1 1 27 27 THR HB H 1 3.880 . . 1 . . 419 . A 27 THR HB . 19179 1 131 . 1 1 27 27 THR HG21 H 1 1.090 . . 1 . . 751 . A 27 THR HG21 . 19179 1 132 . 1 1 27 27 THR HG22 H 1 1.090 . . 1 . . 751 . A 27 THR HG22 . 19179 1 133 . 1 1 27 27 THR HG23 H 1 1.090 . . 1 . . 751 . A 27 THR HG23 . 19179 1 134 . 1 1 27 27 THR C C 13 176.521 . . 1 . . 145 . A 27 THR C . 19179 1 135 . 1 1 27 27 THR CA C 13 66.568 . . 1 . . 240 . A 27 THR CA . 19179 1 136 . 1 1 27 27 THR CG2 C 13 22.163 . . 1 . . 752 . A 27 THR CG2 . 19179 1 137 . 1 1 27 27 THR N N 15 119.446 . . 1 . . 126 . A 27 THR N . 19179 1 138 . 1 1 28 28 LEU H H 1 7.026 . . 1 . . 69 . A 28 LEU H . 19179 1 139 . 1 1 28 28 LEU HA H 1 5.013 . . 1 . . 473 . A 28 LEU HA . 19179 1 140 . 1 1 28 28 LEU HB2 H 1 1.221 . . 2 . . 475 . A 28 LEU HB2 . 19179 1 141 . 1 1 28 28 LEU HB3 H 1 1.173 . . 2 . . 474 . A 28 LEU HB3 . 19179 1 142 . 1 1 28 28 LEU HG H 1 1.416 . . 1 . . 756 . A 28 LEU HG . 19179 1 143 . 1 1 28 28 LEU HD11 H 1 0.768 . . 2 . . 740 . A 28 LEU HD11 . 19179 1 144 . 1 1 28 28 LEU HD12 H 1 0.768 . . 2 . . 740 . A 28 LEU HD12 . 19179 1 145 . 1 1 28 28 LEU HD13 H 1 0.768 . . 2 . . 740 . A 28 LEU HD13 . 19179 1 146 . 1 1 28 28 LEU HD21 H 1 0.646 . . 2 . . 460 . A 28 LEU HD21 . 19179 1 147 . 1 1 28 28 LEU HD22 H 1 0.646 . . 2 . . 460 . A 28 LEU HD22 . 19179 1 148 . 1 1 28 28 LEU HD23 H 1 0.646 . . 2 . . 460 . A 28 LEU HD23 . 19179 1 149 . 1 1 28 28 LEU C C 13 173.798 . . 1 . . 155 . A 28 LEU C . 19179 1 150 . 1 1 28 28 LEU CA C 13 52.000 . . 1 . . 237 . A 28 LEU CA . 19179 1 151 . 1 1 28 28 LEU CB C 13 46.821 . . 1 . . 238 . A 28 LEU CB . 19179 1 152 . 1 1 28 28 LEU CG C 13 26.353 . . 1 . . 378 . A 28 LEU CG . 19179 1 153 . 1 1 28 28 LEU CD1 C 13 26.435 . . 2 . . 461 . A 28 LEU CD1 . 19179 1 154 . 1 1 28 28 LEU CD2 C 13 22.483 . . 2 . . 741 . A 28 LEU CD2 . 19179 1 155 . 1 1 28 28 LEU N N 15 119.632 . . 1 . . 70 . A 28 LEU N . 19179 1 156 . 1 1 29 29 ALA H H 1 8.856 . . 1 . . 19 . A 29 ALA H . 19179 1 157 . 1 1 29 29 ALA HA H 1 4.392 . . 1 . . 476 . A 29 ALA HA . 19179 1 158 . 1 1 29 29 ALA HB1 H 1 0.763 . . 1 . . 477 . A 29 ALA HB1 . 19179 1 159 . 1 1 29 29 ALA HB2 H 1 0.763 . . 1 . . 477 . A 29 ALA HB2 . 19179 1 160 . 1 1 29 29 ALA HB3 H 1 0.763 . . 1 . . 477 . A 29 ALA HB3 . 19179 1 161 . 1 1 29 29 ALA C C 13 173.471 . . 1 . . 183 . A 29 ALA C . 19179 1 162 . 1 1 29 29 ALA CA C 13 50.683 . . 1 . . 235 . A 29 ALA CA . 19179 1 163 . 1 1 29 29 ALA CB C 13 22.970 . . 1 . . 236 . A 29 ALA CB . 19179 1 164 . 1 1 29 29 ALA N N 15 121.053 . . 1 . . 20 . A 29 ALA N . 19179 1 165 . 1 1 30 30 GLU H H 1 8.244 . . 1 . . 121 . A 30 GLU H . 19179 1 166 . 1 1 30 30 GLU HA H 1 4.799 . . 1 . . 478 . A 30 GLU HA . 19179 1 167 . 1 1 30 30 GLU HB2 H 1 2.341 . . 1 . . 480 . A 30 GLU HB2 . 19179 1 168 . 1 1 30 30 GLU HB3 H 1 2.341 . . 1 . . 481 . A 30 GLU HB3 . 19179 1 169 . 1 1 30 30 GLU HG2 H 1 2.456 . . 2 . . 483 . A 30 GLU HG2 . 19179 1 170 . 1 1 30 30 GLU HG3 H 1 1.804 . . 2 . . 482 . A 30 GLU HG3 . 19179 1 171 . 1 1 30 30 GLU C C 13 176.292 . . 1 . . 173 . A 30 GLU C . 19179 1 172 . 1 1 30 30 GLU CA C 13 53.461 . . 1 . . 233 . A 30 GLU CA . 19179 1 173 . 1 1 30 30 GLU CB C 13 33.135 . . 1 . . 234 . A 30 GLU CB . 19179 1 174 . 1 1 30 30 GLU CG C 13 35.421 . . 1 . . 376 . A 30 GLU CG . 19179 1 175 . 1 1 30 30 GLU N N 15 119.234 . . 1 . . 122 . A 30 GLU N . 19179 1 176 . 1 1 31 31 CYS H H 1 8.586 . . 1 . . 31 . A 31 CYS H . 19179 1 177 . 1 1 31 31 CYS HA H 1 4.312 . . 1 . . 484 . A 31 CYS HA . 19179 1 178 . 1 1 31 31 CYS HB2 H 1 3.028 . . 2 . . 486 . A 31 CYS HB2 . 19179 1 179 . 1 1 31 31 CYS HB3 H 1 3.318 . . 2 . . 485 . A 31 CYS HB3 . 19179 1 180 . 1 1 31 31 CYS C C 13 175.519 . . 1 . . 197 . A 31 CYS C . 19179 1 181 . 1 1 31 31 CYS CA C 13 61.544 . . 1 . . 231 . A 31 CYS CA . 19179 1 182 . 1 1 31 31 CYS CB C 13 28.588 . . 1 . . 232 . A 31 CYS CB . 19179 1 183 . 1 1 31 31 CYS N N 15 129.774 . . 1 . . 32 . A 31 CYS N . 19179 1 184 . 1 1 32 32 GLU H H 1 8.756 . . 1 . . 27 . A 32 GLU H . 19179 1 185 . 1 1 32 32 GLU HA H 1 4.089 . . 1 . . 487 . A 32 GLU HA . 19179 1 186 . 1 1 32 32 GLU HB2 H 1 2.077 . . 2 . . 488 . A 32 GLU HB2 . 19179 1 187 . 1 1 32 32 GLU HB3 H 1 2.086 . . 2 . . 489 . A 32 GLU HB3 . 19179 1 188 . 1 1 32 32 GLU HG2 H 1 2.361 . . 2 . . 491 . A 32 GLU HG2 . 19179 1 189 . 1 1 32 32 GLU HG3 H 1 2.419 . . 2 . . 490 . A 32 GLU HG3 . 19179 1 190 . 1 1 32 32 GLU C C 13 177.061 . . 1 . . 154 . A 32 GLU C . 19179 1 191 . 1 1 32 32 GLU CA C 13 58.728 . . 1 . . 229 . A 32 GLU CA . 19179 1 192 . 1 1 32 32 GLU CB C 13 30.433 . . 1 . . 230 . A 32 GLU CB . 19179 1 193 . 1 1 32 32 GLU CG C 13 36.637 . . 1 . . 375 . A 32 GLU CG . 19179 1 194 . 1 1 32 32 GLU N N 15 126.867 . . 1 . . 28 . A 32 GLU N . 19179 1 195 . 1 1 33 33 VAL H H 1 8.935 . . 1 . . 21 . A 33 VAL H . 19179 1 196 . 1 1 33 33 VAL HA H 1 3.818 . . 1 . . 492 . A 33 VAL HA . 19179 1 197 . 1 1 33 33 VAL HB H 1 1.408 . . 1 . . 493 . A 33 VAL HB . 19179 1 198 . 1 1 33 33 VAL HG11 H 1 0.755 . . 2 . . 456 . A 33 VAL HG11 . 19179 1 199 . 1 1 33 33 VAL HG12 H 1 0.755 . . 2 . . 456 . A 33 VAL HG12 . 19179 1 200 . 1 1 33 33 VAL HG13 H 1 0.755 . . 2 . . 456 . A 33 VAL HG13 . 19179 1 201 . 1 1 33 33 VAL HG21 H 1 0.261 . . 2 . . 435 . A 33 VAL HG21 . 19179 1 202 . 1 1 33 33 VAL HG22 H 1 0.261 . . 2 . . 435 . A 33 VAL HG22 . 19179 1 203 . 1 1 33 33 VAL HG23 H 1 0.261 . . 2 . . 435 . A 33 VAL HG23 . 19179 1 204 . 1 1 33 33 VAL C C 13 176.434 . . 1 . . 333 . A 33 VAL C . 19179 1 205 . 1 1 33 33 VAL CA C 13 64.132 . . 1 . . 227 . A 33 VAL CA . 19179 1 206 . 1 1 33 33 VAL CB C 13 33.744 . . 1 . . 228 . A 33 VAL CB . 19179 1 207 . 1 1 33 33 VAL CG1 C 13 21.283 . . 2 . . 457 . A 33 VAL CG1 . 19179 1 208 . 1 1 33 33 VAL CG2 C 13 20.108 . . 2 . . 436 . A 33 VAL CG2 . 19179 1 209 . 1 1 33 33 VAL N N 15 122.528 . . 1 . . 22 . A 33 VAL N . 19179 1 210 . 1 1 34 34 HIS H H 1 8.834 . . 1 . . 25 . A 34 HIS H . 19179 1 211 . 1 1 34 34 HIS HA H 1 4.575 . . 1 . . 496 . A 34 HIS HA . 19179 1 212 . 1 1 34 34 HIS HB2 H 1 3.098 . . 2 . . 479 . A 34 HIS HB2 . 19179 1 213 . 1 1 34 34 HIS HB3 H 1 3.027 . . 2 . . 497 . A 34 HIS HB3 . 19179 1 214 . 1 1 34 34 HIS HD2 H 1 7.191 . . 1 . . 385 . A 34 HIS HD2 . 19179 1 215 . 1 1 34 34 HIS HE1 H 1 7.870 . . 1 . . 393 . A 34 HIS HE1 . 19179 1 216 . 1 1 34 34 HIS C C 13 173.077 . . 1 . . 150 . A 34 HIS C . 19179 1 217 . 1 1 34 34 HIS CA C 13 56.635 . . 1 . . 225 . A 34 HIS CA . 19179 1 218 . 1 1 34 34 HIS CB C 13 28.789 . . 1 . . 226 . A 34 HIS CB . 19179 1 219 . 1 1 34 34 HIS CD2 C 13 118.015 . . 1 . . 386 . A 34 HIS CD2 . 19179 1 220 . 1 1 34 34 HIS CE1 C 13 138.510 . . 1 . . 394 . A 34 HIS CE1 . 19179 1 221 . 1 1 34 34 HIS N N 15 126.015 . . 1 . . 26 . A 34 HIS N . 19179 1 222 . 1 1 35 35 GLU H H 1 7.643 . . 1 . . 85 . A 35 GLU H . 19179 1 223 . 1 1 35 35 GLU HA H 1 4.097 . . 1 . . 500 . A 35 GLU HA . 19179 1 224 . 1 1 35 35 GLU HB2 H 1 1.926 . . 2 . . 501 . A 35 GLU HB2 . 19179 1 225 . 1 1 35 35 GLU HB3 H 1 1.945 . . 2 . . 502 . A 35 GLU HB3 . 19179 1 226 . 1 1 35 35 GLU HG2 H 1 2.228 . . 2 . . 505 . A 35 GLU HG2 . 19179 1 227 . 1 1 35 35 GLU HG3 H 1 2.305 . . 2 . . 503 . A 35 GLU HG3 . 19179 1 228 . 1 1 35 35 GLU C C 13 178.839 . . 1 . . 170 . A 35 GLU C . 19179 1 229 . 1 1 35 35 GLU CA C 13 58.068 . . 1 . . 223 . A 35 GLU CA . 19179 1 230 . 1 1 35 35 GLU CB C 13 29.733 . . 1 . . 224 . A 35 GLU CB . 19179 1 231 . 1 1 35 35 GLU CG C 13 35.987 . . 1 . . 373 . A 35 GLU CG . 19179 1 232 . 1 1 35 35 GLU N N 15 122.059 . . 1 . . 86 . A 35 GLU N . 19179 1 233 . 1 1 36 36 GLY H H 1 10.615 . . 1 . . 3 . A 36 GLY H . 19179 1 234 . 1 1 36 36 GLY HA2 H 1 3.478 . . 2 . . 507 . A 36 GLY HA2 . 19179 1 235 . 1 1 36 36 GLY HA3 H 1 4.116 . . 2 . . 506 . A 36 GLY HA3 . 19179 1 236 . 1 1 36 36 GLY C C 13 173.165 . . 1 . . 161 . A 36 GLY C . 19179 1 237 . 1 1 36 36 GLY CA C 13 44.986 . . 1 . . 222 . A 36 GLY CA . 19179 1 238 . 1 1 36 36 GLY N N 15 114.969 . . 1 . . 4 . A 36 GLY N . 19179 1 239 . 1 1 37 37 THR H H 1 7.669 . . 1 . . 63 . A 37 THR H . 19179 1 240 . 1 1 37 37 THR HA H 1 4.466 . . 1 . . 508 . A 37 THR HA . 19179 1 241 . 1 1 37 37 THR HB H 1 4.463 . . 1 . . 509 . A 37 THR HB . 19179 1 242 . 1 1 37 37 THR HG21 H 1 1.632 . . 1 . . 780 . A 37 THR HG21 . 19179 1 243 . 1 1 37 37 THR HG22 H 1 1.632 . . 1 . . 780 . A 37 THR HG22 . 19179 1 244 . 1 1 37 37 THR HG23 H 1 1.632 . . 1 . . 780 . A 37 THR HG23 . 19179 1 245 . 1 1 37 37 THR C C 13 172.121 . . 1 . . 159 . A 37 THR C . 19179 1 246 . 1 1 37 37 THR CA C 13 62.490 . . 1 . . 262 . A 37 THR CA . 19179 1 247 . 1 1 37 37 THR CB C 13 68.752 . . 1 . . 753 . A 37 THR CB . 19179 1 248 . 1 1 37 37 THR CG2 C 13 23.606 . . 1 . . 754 . A 37 THR CG2 . 19179 1 249 . 1 1 37 37 THR N N 15 116.476 . . 1 . . 64 . A 37 THR N . 19179 1 250 . 1 1 38 38 TYR H H 1 8.622 . . 1 . . 23 . A 38 TYR H . 19179 1 251 . 1 1 38 38 TYR HA H 1 5.635 . . 1 . . 510 . A 38 TYR HA . 19179 1 252 . 1 1 38 38 TYR HB2 H 1 2.830 . . 2 . . 512 . A 38 TYR HB2 . 19179 1 253 . 1 1 38 38 TYR HB3 H 1 2.973 . . 2 . . 511 . A 38 TYR HB3 . 19179 1 254 . 1 1 38 38 TYR HD1 H 1 6.919 . . 3 . . 387 . A 38 TYR HD1 . 19179 1 255 . 1 1 38 38 TYR HD2 H 1 6.919 . . 3 . . 387 . A 38 TYR HD2 . 19179 1 256 . 1 1 38 38 TYR HE1 H 1 6.591 . . 3 . . 384 . A 38 TYR HE1 . 19179 1 257 . 1 1 38 38 TYR HE2 H 1 6.591 . . 3 . . 384 . A 38 TYR HE2 . 19179 1 258 . 1 1 38 38 TYR C C 13 174.538 . . 1 . . 139 . A 38 TYR C . 19179 1 259 . 1 1 38 38 TYR CA C 13 56.001 . . 1 . . 260 . A 38 TYR CA . 19179 1 260 . 1 1 38 38 TYR CB C 13 42.611 . . 1 . . 261 . A 38 TYR CB . 19179 1 261 . 1 1 38 38 TYR CD1 C 13 133.031 . . 3 . . 395 . A 38 TYR CD1 . 19179 1 262 . 1 1 38 38 TYR CD2 C 13 133.031 . . 3 . . 395 . A 38 TYR CD2 . 19179 1 263 . 1 1 38 38 TYR CE1 C 13 118.015 . . 3 . . 389 . A 38 TYR CE1 . 19179 1 264 . 1 1 38 38 TYR CE2 C 13 118.015 . . 3 . . 389 . A 38 TYR CE2 . 19179 1 265 . 1 1 38 38 TYR N N 15 124.951 . . 1 . . 24 . A 38 TYR N . 19179 1 266 . 1 1 39 39 PHE H H 1 8.483 . . 1 . . 57 . A 39 PHE H . 19179 1 267 . 1 1 39 39 PHE HA H 1 5.084 . . 1 . . 513 . A 39 PHE HA . 19179 1 268 . 1 1 39 39 PHE HB2 H 1 2.864 . . 2 . . 515 . A 39 PHE HB2 . 19179 1 269 . 1 1 39 39 PHE HB3 H 1 2.875 . . 2 . . 514 . A 39 PHE HB3 . 19179 1 270 . 1 1 39 39 PHE HD1 H 1 6.943 . . 3 . . 794 . A 39 PHE HD1 . 19179 1 271 . 1 1 39 39 PHE HD2 H 1 6.943 . . 3 . . 794 . A 39 PHE HD2 . 19179 1 272 . 1 1 39 39 PHE HE1 H 1 7.047 . . 3 . . 795 . A 39 PHE HE1 . 19179 1 273 . 1 1 39 39 PHE HE2 H 1 7.047 . . 3 . . 795 . A 39 PHE HE2 . 19179 1 274 . 1 1 39 39 PHE C C 13 173.379 . . 1 . . 169 . A 39 PHE C . 19179 1 275 . 1 1 39 39 PHE CA C 13 55.938 . . 1 . . 258 . A 39 PHE CA . 19179 1 276 . 1 1 39 39 PHE CB C 13 39.220 . . 1 . . 259 . A 39 PHE CB . 19179 1 277 . 1 1 39 39 PHE CD1 C 13 133.030 . . 3 . . 788 . A 39 PHE CD1 . 19179 1 278 . 1 1 39 39 PHE CD2 C 13 133.030 . . 3 . . 788 . A 39 PHE CD2 . 19179 1 279 . 1 1 39 39 PHE N N 15 115.194 . . 1 . . 58 . A 39 PHE N . 19179 1 280 . 1 1 40 40 SER H H 1 9.519 . . 1 . . 7 . A 40 SER H . 19179 1 281 . 1 1 40 40 SER HA H 1 4.341 . . 1 . . 516 . A 40 SER HA . 19179 1 282 . 1 1 40 40 SER HB2 H 1 3.751 . . 2 . . 518 . A 40 SER HB2 . 19179 1 283 . 1 1 40 40 SER HB3 H 1 3.767 . . 2 . . 517 . A 40 SER HB3 . 19179 1 284 . 1 1 40 40 SER C C 13 173.355 . . 1 . . 175 . A 40 SER C . 19179 1 285 . 1 1 40 40 SER CA C 13 60.726 . . 1 . . 256 . A 40 SER CA . 19179 1 286 . 1 1 40 40 SER CB C 13 63.544 . . 1 . . 257 . A 40 SER CB . 19179 1 287 . 1 1 40 40 SER N N 15 114.429 . . 1 . . 8 . A 40 SER N . 19179 1 288 . 1 1 41 41 ASP H H 1 8.431 . . 1 . . 45 . A 41 ASP H . 19179 1 289 . 1 1 41 41 ASP HA H 1 4.913 . . 1 . . 519 . A 41 ASP HA . 19179 1 290 . 1 1 41 41 ASP HB2 H 1 2.051 . . 2 . . 521 . A 41 ASP HB2 . 19179 1 291 . 1 1 41 41 ASP HB3 H 1 2.760 . . 2 . . 520 . A 41 ASP HB3 . 19179 1 292 . 1 1 41 41 ASP C C 13 176.230 . . 1 . . 143 . A 41 ASP C . 19179 1 293 . 1 1 41 41 ASP CA C 13 53.739 . . 1 . . 254 . A 41 ASP CA . 19179 1 294 . 1 1 41 41 ASP CB C 13 39.725 . . 1 . . 255 . A 41 ASP CB . 19179 1 295 . 1 1 41 41 ASP N N 15 125.551 . . 1 . . 46 . A 41 ASP N . 19179 1 296 . 1 1 42 42 SER H H 1 9.001 . . 1 . . 13 . A 42 SER H . 19179 1 297 . 1 1 42 42 SER HA H 1 4.370 . . 1 . . 770 . A 42 SER HA . 19179 1 298 . 1 1 42 42 SER HB2 H 1 3.770 . . 2 . . 776 . A 42 SER HB2 . 19179 1 299 . 1 1 42 42 SER HB3 H 1 4.009 . . 2 . . 771 . A 42 SER HB3 . 19179 1 300 . 1 1 42 42 SER C C 13 177.229 . . 1 . . 198 . A 42 SER C . 19179 1 301 . 1 1 42 42 SER CA C 13 59.770 . . 1 . . 252 . A 42 SER CA . 19179 1 302 . 1 1 42 42 SER CB C 13 62.951 . . 1 . . 253 . A 42 SER CB . 19179 1 303 . 1 1 42 42 SER N N 15 114.674 . . 1 . . 14 . A 42 SER N . 19179 1 304 . 1 1 43 43 GLY H H 1 8.261 . . 1 . . 39 . A 43 GLY H . 19179 1 305 . 1 1 43 43 GLY HA2 H 1 4.085 . . 2 . . 774 . A 43 GLY HA2 . 19179 1 306 . 1 1 43 43 GLY HA3 H 1 3.804 . . 2 . . 773 . A 43 GLY HA3 . 19179 1 307 . 1 1 43 43 GLY C C 13 172.823 . . 1 . . 166 . A 43 GLY C . 19179 1 308 . 1 1 43 43 GLY CA C 13 45.829 . . 1 . . 263 . A 43 GLY CA . 19179 1 309 . 1 1 43 43 GLY N N 15 109.923 . . 1 . . 40 . A 43 GLY N . 19179 1 310 . 1 1 44 44 ASP H H 1 8.583 . . 1 . . 109 . A 44 ASP H . 19179 1 311 . 1 1 44 44 ASP HA H 1 4.741 . . 1 . . 522 . A 44 ASP HA . 19179 1 312 . 1 1 44 44 ASP HB2 H 1 2.369 . . 2 . . 775 . A 44 ASP HB2 . 19179 1 313 . 1 1 44 44 ASP HB3 H 1 3.079 . . 2 . . 523 . A 44 ASP HB3 . 19179 1 314 . 1 1 44 44 ASP C C 13 176.327 . . 1 . . 196 . A 44 ASP C . 19179 1 315 . 1 1 44 44 ASP CA C 13 53.309 . . 1 . . 264 . A 44 ASP CA . 19179 1 316 . 1 1 44 44 ASP CB C 13 40.067 . . 1 . . 265 . A 44 ASP CB . 19179 1 317 . 1 1 44 44 ASP N N 15 120.029 . . 1 . . 110 . A 44 ASP N . 19179 1 318 . 1 1 45 45 ILE H H 1 8.589 . . 1 . . 29 . A 45 ILE H . 19179 1 319 . 1 1 45 45 ILE HA H 1 3.691 . . 1 . . 779 . A 45 ILE HA . 19179 1 320 . 1 1 45 45 ILE HB H 1 1.887 . . 1 . . 524 . A 45 ILE HB . 19179 1 321 . 1 1 45 45 ILE HG12 H 1 1.781 . . 2 . . 525 . A 45 ILE HG12 . 19179 1 322 . 1 1 45 45 ILE HG13 H 1 1.768 . . 2 . . 526 . A 45 ILE HG13 . 19179 1 323 . 1 1 45 45 ILE HG21 H 1 1.080 . . 1 . . 777 . A 45 ILE HG21 . 19179 1 324 . 1 1 45 45 ILE HG22 H 1 1.080 . . 1 . . 777 . A 45 ILE HG22 . 19179 1 325 . 1 1 45 45 ILE HG23 H 1 1.080 . . 1 . . 777 . A 45 ILE HG23 . 19179 1 326 . 1 1 45 45 ILE HD11 H 1 0.950 . . 1 . . 731 . A 45 ILE HD11 . 19179 1 327 . 1 1 45 45 ILE HD12 H 1 0.950 . . 1 . . 731 . A 45 ILE HD12 . 19179 1 328 . 1 1 45 45 ILE HD13 H 1 0.950 . . 1 . . 731 . A 45 ILE HD13 . 19179 1 329 . 1 1 45 45 ILE C C 13 177.352 . . 1 . . 195 . A 45 ILE C . 19179 1 330 . 1 1 45 45 ILE CA C 13 64.967 . . 1 . . 266 . A 45 ILE CA . 19179 1 331 . 1 1 45 45 ILE CB C 13 37.813 . . 1 . . 267 . A 45 ILE CB . 19179 1 332 . 1 1 45 45 ILE CG1 C 13 29.327 . . 1 . . 372 . A 45 ILE CG1 . 19179 1 333 . 1 1 45 45 ILE CG2 C 13 18.537 . . 1 . . 778 . A 45 ILE CG2 . 19179 1 334 . 1 1 45 45 ILE CD1 C 13 13.676 . . 1 . . 422 . A 45 ILE CD1 . 19179 1 335 . 1 1 45 45 ILE N N 15 129.584 . . 1 . . 30 . A 45 ILE N . 19179 1 336 . 1 1 46 46 SER H H 1 8.275 . . 1 . . 93 . A 46 SER H . 19179 1 337 . 1 1 46 46 SER HA H 1 4.338 . . 1 . . 527 . A 46 SER HA . 19179 1 338 . 1 1 46 46 SER HB2 H 1 3.983 . . 2 . . 529 . A 46 SER HB2 . 19179 1 339 . 1 1 46 46 SER HB3 H 1 3.999 . . 2 . . 528 . A 46 SER HB3 . 19179 1 340 . 1 1 46 46 SER C C 13 177.116 . . 1 . . 151 . A 46 SER C . 19179 1 341 . 1 1 46 46 SER CA C 13 61.744 . . 1 . . 268 . A 46 SER CA . 19179 1 342 . 1 1 46 46 SER CB C 13 62.502 . . 1 . . 271 . A 46 SER CB . 19179 1 343 . 1 1 46 46 SER N N 15 117.808 . . 1 . . 94 . A 46 SER N . 19179 1 344 . 1 1 47 47 GLU H H 1 7.372 . . 1 . . 73 . A 47 GLU H . 19179 1 345 . 1 1 47 47 GLU HA H 1 4.042 . . 1 . . 530 . A 47 GLU HA . 19179 1 346 . 1 1 47 47 GLU HB2 H 1 2.012 . . 2 . . 531 . A 47 GLU HB2 . 19179 1 347 . 1 1 47 47 GLU HB3 H 1 1.976 . . 2 . . 532 . A 47 GLU HB3 . 19179 1 348 . 1 1 47 47 GLU HG2 H 1 2.249 . . 2 . . 534 . A 47 GLU HG2 . 19179 1 349 . 1 1 47 47 GLU HG3 H 1 2.353 . . 2 . . 533 . A 47 GLU HG3 . 19179 1 350 . 1 1 47 47 GLU C C 13 178.981 . . 1 . . 144 . A 47 GLU C . 19179 1 351 . 1 1 47 47 GLU CA C 13 59.418 . . 1 . . 269 . A 47 GLU CA . 19179 1 352 . 1 1 47 47 GLU CB C 13 29.258 . . 1 . . 270 . A 47 GLU CB . 19179 1 353 . 1 1 47 47 GLU CG C 13 36.493 . . 1 . . 371 . A 47 GLU CG . 19179 1 354 . 1 1 47 47 GLU N N 15 121.839 . . 1 . . 74 . A 47 GLU N . 19179 1 355 . 1 1 48 48 ALA H H 1 6.925 . . 1 . . 67 . A 48 ALA H . 19179 1 356 . 1 1 48 48 ALA HA H 1 3.861 . . 1 . . 535 . A 48 ALA HA . 19179 1 357 . 1 1 48 48 ALA HB1 H 1 1.440 . . 1 . . 447 . A 48 ALA HB1 . 19179 1 358 . 1 1 48 48 ALA HB2 H 1 1.440 . . 1 . . 447 . A 48 ALA HB2 . 19179 1 359 . 1 1 48 48 ALA HB3 H 1 1.440 . . 1 . . 447 . A 48 ALA HB3 . 19179 1 360 . 1 1 48 48 ALA C C 13 178.641 . . 1 . . 179 . A 48 ALA C . 19179 1 361 . 1 1 48 48 ALA CA C 13 55.325 . . 1 . . 272 . A 48 ALA CA . 19179 1 362 . 1 1 48 48 ALA CB C 13 17.392 . . 1 . . 273 . A 48 ALA CB . 19179 1 363 . 1 1 48 48 ALA N N 15 122.935 . . 1 . . 68 . A 48 ALA N . 19179 1 364 . 1 1 49 49 GLU H H 1 8.288 . . 1 . . 95 . A 49 GLU H . 19179 1 365 . 1 1 49 49 GLU HA H 1 3.613 . . 1 . . 536 . A 49 GLU HA . 19179 1 366 . 1 1 49 49 GLU HB2 H 1 2.049 . . 2 . . 537 . A 49 GLU HB2 . 19179 1 367 . 1 1 49 49 GLU HB3 H 1 2.053 . . 2 . . 538 . A 49 GLU HB3 . 19179 1 368 . 1 1 49 49 GLU HG2 H 1 2.291 . . 2 . . 540 . A 49 GLU HG2 . 19179 1 369 . 1 1 49 49 GLU HG3 H 1 2.273 . . 2 . . 539 . A 49 GLU HG3 . 19179 1 370 . 1 1 49 49 GLU C C 13 177.879 . . 1 . . 178 . A 49 GLU C . 19179 1 371 . 1 1 49 49 GLU CA C 13 60.322 . . 1 . . 274 . A 49 GLU CA . 19179 1 372 . 1 1 49 49 GLU CB C 13 28.868 . . 1 . . 275 . A 49 GLU CB . 19179 1 373 . 1 1 49 49 GLU CG C 13 36.488 . . 1 . . 370 . A 49 GLU CG . 19179 1 374 . 1 1 49 49 GLU N N 15 118.249 . . 1 . . 96 . A 49 GLU N . 19179 1 375 . 1 1 50 50 GLU H H 1 8.108 . . 1 . . 105 . A 50 GLU H . 19179 1 376 . 1 1 50 50 GLU HA H 1 3.922 . . 1 . . 541 . A 50 GLU HA . 19179 1 377 . 1 1 50 50 GLU HB2 H 1 2.019 . . 2 . . 542 . A 50 GLU HB2 . 19179 1 378 . 1 1 50 50 GLU HB3 H 1 2.045 . . 2 . . 543 . A 50 GLU HB3 . 19179 1 379 . 1 1 50 50 GLU HG3 H 1 2.316 . . 1 . . 545 . A 50 GLU HG3 . 19179 1 380 . 1 1 50 50 GLU C C 13 179.532 . . 1 . . 194 . A 50 GLU C . 19179 1 381 . 1 1 50 50 GLU CA C 13 59.753 . . 1 . . 277 . A 50 GLU CA . 19179 1 382 . 1 1 50 50 GLU CB C 13 29.028 . . 1 . . 276 . A 50 GLU CB . 19179 1 383 . 1 1 50 50 GLU CG C 13 35.927 . . 1 . . 369 . A 50 GLU CG . 19179 1 384 . 1 1 50 50 GLU N N 15 117.450 . . 1 . . 106 . A 50 GLU N . 19179 1 385 . 1 1 51 51 LEU H H 1 7.835 . . 1 . . 131 . A 51 LEU H . 19179 1 386 . 1 1 51 51 LEU HA H 1 4.307 . . 1 . . 472 . A 51 LEU HA . 19179 1 387 . 1 1 51 51 LEU HB2 H 1 1.696 . . 2 . . 763 . A 51 LEU HB2 . 19179 1 388 . 1 1 51 51 LEU HB3 H 1 1.636 . . 2 . . 471 . A 51 LEU HB3 . 19179 1 389 . 1 1 51 51 LEU HG H 1 1.427 . . 1 . . 755 . A 51 LEU HG . 19179 1 390 . 1 1 51 51 LEU HD11 H 1 1.010 . . 1 . . 455 . A 51 LEU HD11 . 19179 1 391 . 1 1 51 51 LEU HD12 H 1 1.010 . . 1 . . 455 . A 51 LEU HD12 . 19179 1 392 . 1 1 51 51 LEU HD13 H 1 1.010 . . 1 . . 455 . A 51 LEU HD13 . 19179 1 393 . 1 1 51 51 LEU C C 13 178.285 . . 1 . . 156 . A 51 LEU C . 19179 1 394 . 1 1 51 51 LEU CA C 13 57.438 . . 1 . . 279 . A 51 LEU CA . 19179 1 395 . 1 1 51 51 LEU CB C 13 40.766 . . 1 . . 280 . A 51 LEU CB . 19179 1 396 . 1 1 51 51 LEU CG C 13 27.533 . . 1 . . 742 . A 51 LEU CG . 19179 1 397 . 1 1 51 51 LEU CD1 C 13 22.873 . . 2 . . 368 . A 51 LEU CD1 . 19179 1 398 . 1 1 51 51 LEU CD2 C 13 26.270 . . 2 . . 367 . A 51 LEU CD2 . 19179 1 399 . 1 1 51 51 LEU N N 15 120.169 . . 1 . . 132 . A 51 LEU N . 19179 1 400 . 1 1 52 52 ALA H H 1 8.286 . . 1 . . 113 . A 52 ALA H . 19179 1 401 . 1 1 52 52 ALA HA H 1 3.795 . . 1 . . 546 . A 52 ALA HA . 19179 1 402 . 1 1 52 52 ALA HB1 H 1 1.392 . . 1 . . 448 . A 52 ALA HB1 . 19179 1 403 . 1 1 52 52 ALA HB2 H 1 1.392 . . 1 . . 448 . A 52 ALA HB2 . 19179 1 404 . 1 1 52 52 ALA HB3 H 1 1.392 . . 1 . . 448 . A 52 ALA HB3 . 19179 1 405 . 1 1 52 52 ALA C C 13 178.611 . . 1 . . 138 . A 52 ALA C . 19179 1 406 . 1 1 52 52 ALA CA C 13 55.647 . . 1 . . 278 . A 52 ALA CA . 19179 1 407 . 1 1 52 52 ALA CB C 13 18.176 . . 1 . . 449 . A 52 ALA CB . 19179 1 408 . 1 1 52 52 ALA N N 15 121.167 . . 1 . . 114 . A 52 ALA N . 19179 1 409 . 1 1 53 53 ARG H H 1 7.957 . . 1 . . 59 . A 53 ARG H . 19179 1 410 . 1 1 53 53 ARG HA H 1 3.727 . . 1 . . 547 . A 53 ARG HA . 19179 1 411 . 1 1 53 53 ARG HB2 H 1 1.805 . . 2 . . 548 . A 53 ARG HB2 . 19179 1 412 . 1 1 53 53 ARG HB3 H 1 1.791 . . 2 . . 549 . A 53 ARG HB3 . 19179 1 413 . 1 1 53 53 ARG HG2 H 1 1.376 . . 1 . . 551 . A 53 ARG HG2 . 19179 1 414 . 1 1 53 53 ARG HG3 H 1 1.376 . . 1 . . 550 . A 53 ARG HG3 . 19179 1 415 . 1 1 53 53 ARG HD2 H 1 3.079 . . 1 . . 552 . A 53 ARG HD2 . 19179 1 416 . 1 1 53 53 ARG HD3 H 1 3.079 . . 1 . . 553 . A 53 ARG HD3 . 19179 1 417 . 1 1 53 53 ARG C C 13 179.136 . . 1 . . 164 . A 53 ARG C . 19179 1 418 . 1 1 53 53 ARG CA C 13 60.608 . . 1 . . 281 . A 53 ARG CA . 19179 1 419 . 1 1 53 53 ARG CB C 13 29.520 . . 1 . . 282 . A 53 ARG CB . 19179 1 420 . 1 1 53 53 ARG N N 15 115.092 . . 1 . . 60 . A 53 ARG N . 19179 1 421 . 1 1 54 54 GLU H H 1 8.089 . . 1 . . 117 . A 54 GLU H . 19179 1 422 . 1 1 54 54 GLU HA H 1 4.064 . . 1 . . 554 . A 54 GLU HA . 19179 1 423 . 1 1 54 54 GLU HB2 H 1 2.191 . . 2 . . 555 . A 54 GLU HB2 . 19179 1 424 . 1 1 54 54 GLU HB3 H 1 2.216 . . 2 . . 556 . A 54 GLU HB3 . 19179 1 425 . 1 1 54 54 GLU HG2 H 1 2.124 . . 2 . . 558 . A 54 GLU HG2 . 19179 1 426 . 1 1 54 54 GLU HG3 H 1 2.380 . . 2 . . 557 . A 54 GLU HG3 . 19179 1 427 . 1 1 54 54 GLU C C 13 179.159 . . 1 . . 141 . A 54 GLU C . 19179 1 428 . 1 1 54 54 GLU CA C 13 59.418 . . 1 . . 283 . A 54 GLU CA . 19179 1 429 . 1 1 54 54 GLU CB C 13 29.888 . . 1 . . 284 . A 54 GLU CB . 19179 1 430 . 1 1 54 54 GLU CG C 13 36.015 . . 1 . . 366 . A 54 GLU CG . 19179 1 431 . 1 1 54 54 GLU N N 15 122.263 . . 1 . . 118 . A 54 GLU N . 19179 1 432 . 1 1 55 55 LYS H H 1 9.118 . . 1 . . 16 . A 55 LYS H . 19179 1 433 . 1 1 55 55 LYS HA H 1 3.810 . . 1 . . 559 . A 55 LYS HA . 19179 1 434 . 1 1 55 55 LYS HB2 H 1 1.736 . . 2 . . 561 . A 55 LYS HB2 . 19179 1 435 . 1 1 55 55 LYS HB3 H 1 1.607 . . 2 . . 560 . A 55 LYS HB3 . 19179 1 436 . 1 1 55 55 LYS HG2 H 1 1.474 . . 2 . . 563 . A 55 LYS HG2 . 19179 1 437 . 1 1 55 55 LYS HG3 H 1 1.465 . . 2 . . 562 . A 55 LYS HG3 . 19179 1 438 . 1 1 55 55 LYS HD2 H 1 1.328 . . 1 . . 565 . A 55 LYS HD2 . 19179 1 439 . 1 1 55 55 LYS HD3 H 1 1.328 . . 1 . . 564 . A 55 LYS HD3 . 19179 1 440 . 1 1 55 55 LYS HE2 H 1 2.949 . . 1 . . 567 . A 55 LYS HE2 . 19179 1 441 . 1 1 55 55 LYS HE3 H 1 2.949 . . 1 . . 566 . A 55 LYS HE3 . 19179 1 442 . 1 1 55 55 LYS C C 13 179.078 . . 1 . . 339 . A 55 LYS C . 19179 1 443 . 1 1 55 55 LYS CA C 13 59.810 . . 1 . . 340 . A 55 LYS CA . 19179 1 444 . 1 1 55 55 LYS CB C 13 32.743 . . 1 . . 341 . A 55 LYS CB . 19179 1 445 . 1 1 55 55 LYS CG C 13 25.599 . . 1 . . 364 . A 55 LYS CG . 19179 1 446 . 1 1 55 55 LYS CD C 13 29.208 . . 1 . . 363 . A 55 LYS CD . 19179 1 447 . 1 1 55 55 LYS CE C 13 41.100 . . 1 . . 365 . A 55 LYS CE . 19179 1 448 . 1 1 55 55 LYS N N 15 118.511 . . 1 . . 15 . A 55 LYS N . 19179 1 449 . 1 1 56 56 PHE H H 1 8.456 . . 1 . . 796 . A 56 PHE H . 19179 1 450 . 1 1 56 56 PHE HA H 1 3.862 . . 1 . . 793 . A 56 PHE HA . 19179 1 451 . 1 1 56 56 PHE HB2 H 1 3.255 . . 2 . . 791 . A 56 PHE HB2 . 19179 1 452 . 1 1 56 56 PHE HB3 H 1 2.971 . . 2 . . 790 . A 56 PHE HB3 . 19179 1 453 . 1 1 56 56 PHE HD1 H 1 6.996 . . 3 . . 789 . A 56 PHE HD1 . 19179 1 454 . 1 1 56 56 PHE HD2 H 1 6.996 . . 3 . . 789 . A 56 PHE HD2 . 19179 1 455 . 1 1 56 56 PHE HE1 H 1 7.372 . . 3 . . 786 . A 56 PHE HE1 . 19179 1 456 . 1 1 56 56 PHE HE2 H 1 7.372 . . 3 . . 786 . A 56 PHE HE2 . 19179 1 457 . 1 1 56 56 PHE CD1 C 13 130.937 . . 3 . . 792 . A 56 PHE CD1 . 19179 1 458 . 1 1 56 56 PHE CD2 C 13 130.937 . . 3 . . 792 . A 56 PHE CD2 . 19179 1 459 . 1 1 56 56 PHE N N 15 119.918 . . 1 . . 797 . A 56 PHE N . 19179 1 460 . 1 1 57 57 GLU H H 1 8.153 . . 1 . . 336 . A 57 GLU H . 19179 1 461 . 1 1 57 57 GLU HA H 1 4.128 . . 1 . . 568 . A 57 GLU HA . 19179 1 462 . 1 1 57 57 GLU HB2 H 1 2.261 . . 2 . . 569 . A 57 GLU HB2 . 19179 1 463 . 1 1 57 57 GLU HB3 H 1 2.281 . . 2 . . 570 . A 57 GLU HB3 . 19179 1 464 . 1 1 57 57 GLU HG2 H 1 2.460 . . 2 . . 572 . A 57 GLU HG2 . 19179 1 465 . 1 1 57 57 GLU HG3 H 1 2.453 . . 2 . . 571 . A 57 GLU HG3 . 19179 1 466 . 1 1 57 57 GLU C C 13 177.889 . . 1 . . 160 . A 57 GLU C . 19179 1 467 . 1 1 57 57 GLU CA C 13 59.238 . . 1 . . 338 . A 57 GLU CA . 19179 1 468 . 1 1 57 57 GLU CB C 13 29.483 . . 1 . . 290 . A 57 GLU CB . 19179 1 469 . 1 1 57 57 GLU CG C 13 35.687 . . 1 . . 362 . A 57 GLU CG . 19179 1 470 . 1 1 57 57 GLU N N 15 121.819 . . 1 . . 335 . A 57 GLU N . 19179 1 471 . 1 1 58 58 LYS H H 1 7.684 . . 1 . . 61 . A 58 LYS H . 19179 1 472 . 1 1 58 58 LYS HA H 1 4.267 . . 1 . . 573 . A 58 LYS HA . 19179 1 473 . 1 1 58 58 LYS HB2 H 1 1.729 . . 2 . . 575 . A 58 LYS HB2 . 19179 1 474 . 1 1 58 58 LYS HB3 H 1 2.026 . . 2 . . 574 . A 58 LYS HB3 . 19179 1 475 . 1 1 58 58 LYS HG2 H 1 1.621 . . 1 . . 577 . A 58 LYS HG2 . 19179 1 476 . 1 1 58 58 LYS HG3 H 1 1.621 . . 1 . . 576 . A 58 LYS HG3 . 19179 1 477 . 1 1 58 58 LYS HD2 H 1 1.499 . . 2 . . 579 . A 58 LYS HD2 . 19179 1 478 . 1 1 58 58 LYS HD3 H 1 1.506 . . 2 . . 578 . A 58 LYS HD3 . 19179 1 479 . 1 1 58 58 LYS HE3 H 1 2.916 . . 1 . . 580 . A 58 LYS HE3 . 19179 1 480 . 1 1 58 58 LYS C C 13 176.710 . . 1 . . 334 . A 58 LYS C . 19179 1 481 . 1 1 58 58 LYS CA C 13 56.742 . . 1 . . 287 . A 58 LYS CA . 19179 1 482 . 1 1 58 58 LYS CB C 13 33.027 . . 1 . . 288 . A 58 LYS CB . 19179 1 483 . 1 1 58 58 LYS N N 15 115.784 . . 1 . . 62 . A 58 LYS N . 19179 1 484 . 1 1 59 59 GLY H H 1 7.644 . . 1 . . 41 . A 59 GLY H . 19179 1 485 . 1 1 59 59 GLY HA2 H 1 3.942 . . 2 . . 582 . A 59 GLY HA2 . 19179 1 486 . 1 1 59 59 GLY HA3 H 1 4.065 . . 2 . . 581 . A 59 GLY HA3 . 19179 1 487 . 1 1 59 59 GLY C C 13 175.969 . . 1 . . 180 . A 59 GLY C . 19179 1 488 . 1 1 59 59 GLY CA C 13 46.330 . . 1 . . 291 . A 59 GLY CA . 19179 1 489 . 1 1 59 59 GLY N N 15 110.421 . . 1 . . 42 . A 59 GLY N . 19179 1 490 . 1 1 60 60 GLU H H 1 8.008 . . 1 . . 99 . A 60 GLU H . 19179 1 491 . 1 1 60 60 GLU HA H 1 4.339 . . 1 . . 583 . A 60 GLU HA . 19179 1 492 . 1 1 60 60 GLU HB2 H 1 2.318 . . 2 . . 584 . A 60 GLU HB2 . 19179 1 493 . 1 1 60 60 GLU HB3 H 1 1.668 . . 2 . . 585 . A 60 GLU HB3 . 19179 1 494 . 1 1 60 60 GLU HG2 H 1 2.150 . . 2 . . 587 . A 60 GLU HG2 . 19179 1 495 . 1 1 60 60 GLU HG3 H 1 2.103 . . 2 . . 586 . A 60 GLU HG3 . 19179 1 496 . 1 1 60 60 GLU C C 13 175.359 . . 1 . . 152 . A 60 GLU C . 19179 1 497 . 1 1 60 60 GLU CA C 13 55.533 . . 1 . . 292 . A 60 GLU CA . 19179 1 498 . 1 1 60 60 GLU CB C 13 30.356 . . 1 . . 293 . A 60 GLU CB . 19179 1 499 . 1 1 60 60 GLU CG C 13 36.097 . . 1 . . 361 . A 60 GLU CG . 19179 1 500 . 1 1 60 60 GLU N N 15 117.714 . . 1 . . 100 . A 60 GLU N . 19179 1 501 . 1 1 61 61 VAL H H 1 7.745 . . 1 . . 129 . A 61 VAL H . 19179 1 502 . 1 1 61 61 VAL HA H 1 4.522 . . 1 . . 588 . A 61 VAL HA . 19179 1 503 . 1 1 61 61 VAL HB H 1 2.164 . . 1 . . 589 . A 61 VAL HB . 19179 1 504 . 1 1 61 61 VAL HG11 H 1 0.892 . . 2 . . 746 . A 61 VAL HG11 . 19179 1 505 . 1 1 61 61 VAL HG12 H 1 0.892 . . 2 . . 746 . A 61 VAL HG12 . 19179 1 506 . 1 1 61 61 VAL HG13 H 1 0.892 . . 2 . . 746 . A 61 VAL HG13 . 19179 1 507 . 1 1 61 61 VAL HG21 H 1 1.317 . . 2 . . 453 . A 61 VAL HG21 . 19179 1 508 . 1 1 61 61 VAL HG22 H 1 1.317 . . 2 . . 453 . A 61 VAL HG22 . 19179 1 509 . 1 1 61 61 VAL HG23 H 1 1.317 . . 2 . . 453 . A 61 VAL HG23 . 19179 1 510 . 1 1 61 61 VAL C C 13 176.175 . . 1 . . 193 . A 61 VAL C . 19179 1 511 . 1 1 61 61 VAL CA C 13 61.267 . . 1 . . 294 . A 61 VAL CA . 19179 1 512 . 1 1 61 61 VAL CB C 13 33.686 . . 1 . . 295 . A 61 VAL CB . 19179 1 513 . 1 1 61 61 VAL CG2 C 13 23.457 . . 1 . . 454 . A 61 VAL CG2 . 19179 1 514 . 1 1 61 61 VAL N N 15 120.144 . . 1 . . 130 . A 61 VAL N . 19179 1 515 . 1 1 62 62 SER H H 1 11.396 . . 1 . . 1 . A 62 SER H . 19179 1 516 . 1 1 62 62 SER HA H 1 4.644 . . 1 . . 593 . A 62 SER HA . 19179 1 517 . 1 1 62 62 SER HB2 H 1 3.788 . . 2 . . 595 . A 62 SER HB2 . 19179 1 518 . 1 1 62 62 SER HB3 H 1 3.756 . . 2 . . 594 . A 62 SER HB3 . 19179 1 519 . 1 1 62 62 SER C C 13 176.781 . . 1 . . 140 . A 62 SER C . 19179 1 520 . 1 1 62 62 SER CA C 13 60.796 . . 1 . . 296 . A 62 SER CA . 19179 1 521 . 1 1 62 62 SER CB C 13 65.061 . . 1 . . 297 . A 62 SER CB . 19179 1 522 . 1 1 62 62 SER N N 15 126.283 . . 1 . . 2 . A 62 SER N . 19179 1 523 . 1 1 63 63 ASN H H 1 10.333 . . 1 . . 5 . A 63 ASN H . 19179 1 524 . 1 1 63 63 ASN HA H 1 4.732 . . 1 . . 596 . A 63 ASN HA . 19179 1 525 . 1 1 63 63 ASN HB2 H 1 2.138 . . 2 . . 728 . A 63 ASN HB2 . 19179 1 526 . 1 1 63 63 ASN HB3 H 1 2.525 . . 2 . . 727 . A 63 ASN HB3 . 19179 1 527 . 1 1 63 63 ASN HD21 H 1 7.193 . . 1 . . 726 . A 63 ASN HD21 . 19179 1 528 . 1 1 63 63 ASN HD22 H 1 7.376 . . 1 . . 724 . A 63 ASN HD22 . 19179 1 529 . 1 1 63 63 ASN C C 13 172.632 . . 1 . . 171 . A 63 ASN C . 19179 1 530 . 1 1 63 63 ASN CA C 13 54.586 . . 1 . . 298 . A 63 ASN CA . 19179 1 531 . 1 1 63 63 ASN CB C 13 39.772 . . 1 . . 299 . A 63 ASN CB . 19179 1 532 . 1 1 63 63 ASN N N 15 118.526 . . 1 . . 6 . A 63 ASN N . 19179 1 533 . 1 1 63 63 ASN ND2 N 15 118.145 . . 1 . . 725 . A 63 ASN ND2 . 19179 1 534 . 1 1 64 64 PHE H H 1 6.971 . . 1 . . 11 . A 64 PHE H . 19179 1 535 . 1 1 64 64 PHE HA H 1 4.866 . . 1 . . 783 . A 64 PHE HA . 19179 1 536 . 1 1 64 64 PHE HB2 H 1 2.687 . . 2 . . 782 . A 64 PHE HB2 . 19179 1 537 . 1 1 64 64 PHE HB3 H 1 3.039 . . 2 . . 781 . A 64 PHE HB3 . 19179 1 538 . 1 1 64 64 PHE HD1 H 1 7.164 . . 3 . . 784 . A 64 PHE HD1 . 19179 1 539 . 1 1 64 64 PHE HD2 H 1 7.164 . . 3 . . 784 . A 64 PHE HD2 . 19179 1 540 . 1 1 64 64 PHE HE1 H 1 7.063 . . 3 . . 785 . A 64 PHE HE1 . 19179 1 541 . 1 1 64 64 PHE HE2 H 1 7.063 . . 3 . . 785 . A 64 PHE HE2 . 19179 1 542 . 1 1 64 64 PHE C C 13 174.310 . . 1 . . 342 . A 64 PHE C . 19179 1 543 . 1 1 64 64 PHE CA C 13 56.626 . . 1 . . 300 . A 64 PHE CA . 19179 1 544 . 1 1 64 64 PHE CB C 13 42.883 . . 1 . . 301 . A 64 PHE CB . 19179 1 545 . 1 1 64 64 PHE N N 15 112.992 . . 1 . . 12 . A 64 PHE N . 19179 1 546 . 1 1 65 65 ASP HA H 1 4.888 . . 1 . . 599 . A 65 ASP HA . 19179 1 547 . 1 1 65 65 ASP HB2 H 1 2.705 . . 2 . . 601 . A 65 ASP HB2 . 19179 1 548 . 1 1 65 65 ASP HB3 H 1 2.866 . . 2 . . 600 . A 65 ASP HB3 . 19179 1 549 . 1 1 65 65 ASP C C 13 175.049 . . 1 . . 147 . A 65 ASP C . 19179 1 550 . 1 1 65 65 ASP CA C 13 53.647 . . 1 . . 356 . A 65 ASP CA . 19179 1 551 . 1 1 65 65 ASP CB C 13 41.367 . . 1 . . 305 . A 65 ASP CB . 19179 1 552 . 1 1 66 66 ASP H H 1 7.413 . . 1 . . 77 . A 66 ASP H . 19179 1 553 . 1 1 66 66 ASP HA H 1 4.861 . . 1 . . 602 . A 66 ASP HA . 19179 1 554 . 1 1 66 66 ASP HB2 H 1 2.632 . . 2 . . 604 . A 66 ASP HB2 . 19179 1 555 . 1 1 66 66 ASP HB3 H 1 2.850 . . 2 . . 603 . A 66 ASP HB3 . 19179 1 556 . 1 1 66 66 ASP C C 13 175.858 . . 1 . . 192 . A 66 ASP C . 19179 1 557 . 1 1 66 66 ASP CA C 13 52.663 . . 1 . . 355 . A 66 ASP CA . 19179 1 558 . 1 1 66 66 ASP CB C 13 44.261 . . 1 . . 303 . A 66 ASP CB . 19179 1 559 . 1 1 66 66 ASP N N 15 119.568 . . 1 . . 78 . A 66 ASP N . 19179 1 560 . 1 1 67 67 VAL H H 1 8.298 . . 1 . . 33 . A 67 VAL H . 19179 1 561 . 1 1 67 67 VAL HA H 1 2.982 . . 1 . . 605 . A 67 VAL HA . 19179 1 562 . 1 1 67 67 VAL HB H 1 0.602 . . 1 . . 606 . A 67 VAL HB . 19179 1 563 . 1 1 67 67 VAL HG11 H 1 0.724 . . 2 . . 433 . A 67 VAL HG11 . 19179 1 564 . 1 1 67 67 VAL HG12 H 1 0.724 . . 2 . . 433 . A 67 VAL HG12 . 19179 1 565 . 1 1 67 67 VAL HG13 H 1 0.724 . . 2 . . 433 . A 67 VAL HG13 . 19179 1 566 . 1 1 67 67 VAL HG21 H 1 0.727 . . 2 . . 458 . A 67 VAL HG21 . 19179 1 567 . 1 1 67 67 VAL HG22 H 1 0.727 . . 2 . . 458 . A 67 VAL HG22 . 19179 1 568 . 1 1 67 67 VAL HG23 H 1 0.727 . . 2 . . 458 . A 67 VAL HG23 . 19179 1 569 . 1 1 67 67 VAL C C 13 175.173 . . 1 . . 344 . A 67 VAL C . 19179 1 570 . 1 1 67 67 VAL CA C 13 64.211 . . 1 . . 306 . A 67 VAL CA . 19179 1 571 . 1 1 67 67 VAL CB C 13 30.848 . . 1 . . 307 . A 67 VAL CB . 19179 1 572 . 1 1 67 67 VAL CG1 C 13 19.256 . . 2 . . 434 . A 67 VAL CG1 . 19179 1 573 . 1 1 67 67 VAL CG2 C 13 23.433 . . 2 . . 459 . A 67 VAL CG2 . 19179 1 574 . 1 1 67 67 VAL N N 15 127.826 . . 1 . . 34 . A 67 VAL N . 19179 1 575 . 1 1 68 68 GLU H H 1 7.909 . . 1 . . 353 . A 68 GLU H . 19179 1 576 . 1 1 68 68 GLU HA H 1 4.049 . . 1 . . 607 . A 68 GLU HA . 19179 1 577 . 1 1 68 68 GLU HB2 H 1 1.999 . . 2 . . 608 . A 68 GLU HB2 . 19179 1 578 . 1 1 68 68 GLU HB3 H 1 1.988 . . 2 . . 609 . A 68 GLU HB3 . 19179 1 579 . 1 1 68 68 GLU HG2 H 1 2.234 . . 2 . . 611 . A 68 GLU HG2 . 19179 1 580 . 1 1 68 68 GLU HG3 H 1 2.444 . . 2 . . 610 . A 68 GLU HG3 . 19179 1 581 . 1 1 68 68 GLU C C 13 180.052 . . 1 . . 158 . A 68 GLU C . 19179 1 582 . 1 1 68 68 GLU CA C 13 57.858 . . 1 . . 308 . A 68 GLU CA . 19179 1 583 . 1 1 68 68 GLU CB C 13 27.404 . . 1 . . 309 . A 68 GLU CB . 19179 1 584 . 1 1 68 68 GLU CG C 13 35.441 . . 1 . . 360 . A 68 GLU CG . 19179 1 585 . 1 1 68 68 GLU N N 15 120.580 . . 1 . . 354 . A 68 GLU N . 19179 1 586 . 1 1 69 69 GLU H H 1 7.669 . . 1 . . 83 . A 69 GLU H . 19179 1 587 . 1 1 69 69 GLU HA H 1 3.932 . . 1 . . 612 . A 69 GLU HA . 19179 1 588 . 1 1 69 69 GLU HB2 H 1 2.419 . . 2 . . 613 . A 69 GLU HB2 . 19179 1 589 . 1 1 69 69 GLU HB3 H 1 2.238 . . 2 . . 614 . A 69 GLU HB3 . 19179 1 590 . 1 1 69 69 GLU HG2 H 1 2.344 . . 2 . . 616 . A 69 GLU HG2 . 19179 1 591 . 1 1 69 69 GLU HG3 H 1 2.590 . . 2 . . 615 . A 69 GLU HG3 . 19179 1 592 . 1 1 69 69 GLU C C 13 179.095 . . 1 . . 153 . A 69 GLU C . 19179 1 593 . 1 1 69 69 GLU CA C 13 58.987 . . 1 . . 311 . A 69 GLU CA . 19179 1 594 . 1 1 69 69 GLU CB C 13 29.520 . . 1 . . 310 . A 69 GLU CB . 19179 1 595 . 1 1 69 69 GLU CG C 13 36.015 . . 1 . . 359 . A 69 GLU CG . 19179 1 596 . 1 1 69 69 GLU N N 15 121.347 . . 1 . . 84 . A 69 GLU N . 19179 1 597 . 1 1 70 70 LEU H H 1 7.184 . . 1 . . 71 . A 70 LEU H . 19179 1 598 . 1 1 70 70 LEU HA H 1 2.945 . . 1 . . 617 . A 70 LEU HA . 19179 1 599 . 1 1 70 70 LEU HB2 H 1 0.569 . . 2 . . 619 . A 70 LEU HB2 . 19179 1 600 . 1 1 70 70 LEU HB3 H 1 1.812 . . 2 . . 618 . A 70 LEU HB3 . 19179 1 601 . 1 1 70 70 LEU HD11 H 1 0.127 . . 2 . . 762 . A 70 LEU HD11 . 19179 1 602 . 1 1 70 70 LEU HD12 H 1 0.127 . . 2 . . 762 . A 70 LEU HD12 . 19179 1 603 . 1 1 70 70 LEU HD13 H 1 0.127 . . 2 . . 762 . A 70 LEU HD13 . 19179 1 604 . 1 1 70 70 LEU HD21 H 1 0.077 . . 2 . . 441 . A 70 LEU HD21 . 19179 1 605 . 1 1 70 70 LEU HD22 H 1 0.077 . . 2 . . 441 . A 70 LEU HD22 . 19179 1 606 . 1 1 70 70 LEU HD23 H 1 0.077 . . 2 . . 441 . A 70 LEU HD23 . 19179 1 607 . 1 1 70 70 LEU C C 13 177.014 . . 1 . . 343 . A 70 LEU C . 19179 1 608 . 1 1 70 70 LEU CA C 13 57.479 . . 1 . . 312 . A 70 LEU CA . 19179 1 609 . 1 1 70 70 LEU CB C 13 40.244 . . 1 . . 313 . A 70 LEU CB . 19179 1 610 . 1 1 70 70 LEU CG C 13 29.327 . . 1 . . 732 . A 70 LEU CG . 19179 1 611 . 1 1 70 70 LEU CD1 C 13 26.760 . . 2 . . 733 . A 70 LEU CD1 . 19179 1 612 . 1 1 70 70 LEU CD2 C 13 21.865 . . 2 . . 442 . A 70 LEU CD2 . 19179 1 613 . 1 1 70 70 LEU N N 15 120.330 . . 1 . . 72 . A 70 LEU N . 19179 1 614 . 1 1 71 71 VAL H H 1 8.262 . . 1 . . 97 . A 71 VAL H . 19179 1 615 . 1 1 71 71 VAL HA H 1 3.070 . . 1 . . 743 . A 71 VAL HA . 19179 1 616 . 1 1 71 71 VAL HB H 1 2.011 . . 1 . . 620 . A 71 VAL HB . 19179 1 617 . 1 1 71 71 VAL HG11 H 1 0.842 . . 2 . . 466 . A 71 VAL HG11 . 19179 1 618 . 1 1 71 71 VAL HG12 H 1 0.842 . . 2 . . 466 . A 71 VAL HG12 . 19179 1 619 . 1 1 71 71 VAL HG13 H 1 0.842 . . 2 . . 466 . A 71 VAL HG13 . 19179 1 620 . 1 1 71 71 VAL HG21 H 1 0.926 . . 2 . . 465 . A 71 VAL HG21 . 19179 1 621 . 1 1 71 71 VAL HG22 H 1 0.926 . . 2 . . 465 . A 71 VAL HG22 . 19179 1 622 . 1 1 71 71 VAL HG23 H 1 0.926 . . 2 . . 465 . A 71 VAL HG23 . 19179 1 623 . 1 1 71 71 VAL C C 13 177.049 . . 1 . . 162 . A 71 VAL C . 19179 1 624 . 1 1 71 71 VAL CA C 13 67.888 . . 1 . . 314 . A 71 VAL CA . 19179 1 625 . 1 1 71 71 VAL CB C 13 31.395 . . 1 . . 315 . A 71 VAL CB . 19179 1 626 . 1 1 71 71 VAL CG1 C 13 21.553 . . 2 . . 467 . A 71 VAL CG1 . 19179 1 627 . 1 1 71 71 VAL CG2 C 13 23.976 . . 2 . . 621 . A 71 VAL CG2 . 19179 1 628 . 1 1 71 71 VAL N N 15 118.625 . . 1 . . 98 . A 71 VAL N . 19179 1 629 . 1 1 72 72 LYS H H 1 7.791 . . 1 . . 65 . A 72 LYS H . 19179 1 630 . 1 1 72 72 LYS HA H 1 3.837 . . 1 . . 622 . A 72 LYS HA . 19179 1 631 . 1 1 72 72 LYS HB2 H 1 1.833 . . 2 . . 624 . A 72 LYS HB2 . 19179 1 632 . 1 1 72 72 LYS HB3 H 1 1.821 . . 2 . . 623 . A 72 LYS HB3 . 19179 1 633 . 1 1 72 72 LYS HG2 H 1 1.621 . . 2 . . 626 . A 72 LYS HG2 . 19179 1 634 . 1 1 72 72 LYS HG3 H 1 1.611 . . 2 . . 625 . A 72 LYS HG3 . 19179 1 635 . 1 1 72 72 LYS HD2 H 1 1.417 . . 2 . . 628 . A 72 LYS HD2 . 19179 1 636 . 1 1 72 72 LYS HD3 H 1 1.409 . . 2 . . 627 . A 72 LYS HD3 . 19179 1 637 . 1 1 72 72 LYS HE2 H 1 2.941 . . 1 . . 630 . A 72 LYS HE2 . 19179 1 638 . 1 1 72 72 LYS HE3 H 1 2.941 . . 1 . . 629 . A 72 LYS HE3 . 19179 1 639 . 1 1 72 72 LYS C C 13 179.439 . . 1 . . 157 . A 72 LYS C . 19179 1 640 . 1 1 72 72 LYS CA C 13 59.954 . . 1 . . 316 . A 72 LYS CA . 19179 1 641 . 1 1 72 72 LYS CB C 13 32.619 . . 1 . . 317 . A 72 LYS CB . 19179 1 642 . 1 1 72 72 LYS CG C 13 26.253 . . 1 . . 710 . A 72 LYS CG . 19179 1 643 . 1 1 72 72 LYS CD C 13 29.309 . . 1 . . 709 . A 72 LYS CD . 19179 1 644 . 1 1 72 72 LYS CE C 13 42.068 . . 1 . . 708 . A 72 LYS CE . 19179 1 645 . 1 1 72 72 LYS N N 15 116.770 . . 1 . . 66 . A 72 LYS N . 19179 1 646 . 1 1 73 73 LYS H H 1 7.796 . . 1 . . 81 . A 73 LYS H . 19179 1 647 . 1 1 73 73 LYS HA H 1 4.216 . . 1 . . 711 . A 73 LYS HA . 19179 1 648 . 1 1 73 73 LYS HB2 H 1 1.991 . . 2 . . 712 . A 73 LYS HB2 . 19179 1 649 . 1 1 73 73 LYS HB3 H 1 2.121 . . 2 . . 632 . A 73 LYS HB3 . 19179 1 650 . 1 1 73 73 LYS HG2 H 1 1.786 . . 2 . . 714 . A 73 LYS HG2 . 19179 1 651 . 1 1 73 73 LYS HG3 H 1 1.822 . . 2 . . 713 . A 73 LYS HG3 . 19179 1 652 . 1 1 73 73 LYS HD2 H 1 1.531 . . 2 . . 716 . A 73 LYS HD2 . 19179 1 653 . 1 1 73 73 LYS HD3 H 1 1.559 . . 2 . . 715 . A 73 LYS HD3 . 19179 1 654 . 1 1 73 73 LYS C C 13 177.539 . . 1 . . 167 . A 73 LYS C . 19179 1 655 . 1 1 73 73 LYS CA C 13 57.324 . . 1 . . 318 . A 73 LYS CA . 19179 1 656 . 1 1 73 73 LYS CB C 13 31.906 . . 1 . . 697 . A 73 LYS CB . 19179 1 657 . 1 1 73 73 LYS CG C 13 24.581 . . 1 . . 707 . A 73 LYS CG . 19179 1 658 . 1 1 73 73 LYS CD C 13 28.949 . . 1 . . 706 . A 73 LYS CD . 19179 1 659 . 1 1 73 73 LYS N N 15 121.221 . . 1 . . 82 . A 73 LYS N . 19179 1 660 . 1 1 74 74 VAL H H 1 8.445 . . 1 . . 695 . A 74 VAL H . 19179 1 661 . 1 1 74 74 VAL HA H 1 3.415 . . 1 . . 631 . A 74 VAL HA . 19179 1 662 . 1 1 74 74 VAL HB H 1 2.099 . . 1 . . 633 . A 74 VAL HB . 19179 1 663 . 1 1 74 74 VAL HG11 H 1 0.700 . . 2 . . 636 . A 74 VAL HG11 . 19179 1 664 . 1 1 74 74 VAL HG12 H 1 0.700 . . 2 . . 636 . A 74 VAL HG12 . 19179 1 665 . 1 1 74 74 VAL HG13 H 1 0.700 . . 2 . . 636 . A 74 VAL HG13 . 19179 1 666 . 1 1 74 74 VAL HG21 H 1 0.868 . . 2 . . 634 . A 74 VAL HG21 . 19179 1 667 . 1 1 74 74 VAL HG22 H 1 0.868 . . 2 . . 634 . A 74 VAL HG22 . 19179 1 668 . 1 1 74 74 VAL HG23 H 1 0.868 . . 2 . . 634 . A 74 VAL HG23 . 19179 1 669 . 1 1 74 74 VAL C C 13 177.638 . . 1 . . 698 . A 74 VAL C . 19179 1 670 . 1 1 74 74 VAL CA C 13 66.863 . . 1 . . 699 . A 74 VAL CA . 19179 1 671 . 1 1 74 74 VAL CG1 C 13 22.517 . . 2 . . 704 . A 74 VAL CG1 . 19179 1 672 . 1 1 74 74 VAL CG2 C 13 23.477 . . 2 . . 703 . A 74 VAL CG2 . 19179 1 673 . 1 1 74 74 VAL N N 15 119.691 . . 1 . . 694 . A 74 VAL N . 19179 1 674 . 1 1 75 75 VAL H H 1 8.521 . . 1 . . 111 . A 75 VAL H . 19179 1 675 . 1 1 75 75 VAL HA H 1 3.352 . . 1 . . 717 . A 75 VAL HA . 19179 1 676 . 1 1 75 75 VAL HB H 1 1.981 . . 1 . . 718 . A 75 VAL HB . 19179 1 677 . 1 1 75 75 VAL HG11 H 1 0.865 . . 2 . . 720 . A 75 VAL HG11 . 19179 1 678 . 1 1 75 75 VAL HG12 H 1 0.865 . . 2 . . 720 . A 75 VAL HG12 . 19179 1 679 . 1 1 75 75 VAL HG13 H 1 0.865 . . 2 . . 720 . A 75 VAL HG13 . 19179 1 680 . 1 1 75 75 VAL HG21 H 1 0.936 . . 2 . . 719 . A 75 VAL HG21 . 19179 1 681 . 1 1 75 75 VAL HG22 H 1 0.936 . . 2 . . 719 . A 75 VAL HG22 . 19179 1 682 . 1 1 75 75 VAL HG23 H 1 0.936 . . 2 . . 719 . A 75 VAL HG23 . 19179 1 683 . 1 1 75 75 VAL C C 13 177.621 . . 1 . . 349 . A 75 VAL C . 19179 1 684 . 1 1 75 75 VAL CA C 13 67.759 . . 1 . . 700 . A 75 VAL CA . 19179 1 685 . 1 1 75 75 VAL CB C 13 29.156 . . 1 . . 693 . A 75 VAL CB . 19179 1 686 . 1 1 75 75 VAL CG1 C 13 20.989 . . 2 . . 702 . A 75 VAL CG1 . 19179 1 687 . 1 1 75 75 VAL CG2 C 13 21.880 . . 2 . . 701 . A 75 VAL CG2 . 19179 1 688 . 1 1 75 75 VAL N N 15 120.095 . . 1 . . 112 . A 75 VAL N . 19179 1 689 . 1 1 76 76 ALA H H 1 7.839 . . 1 . . 347 . A 76 ALA H . 19179 1 690 . 1 1 76 76 ALA HA H 1 4.191 . . 1 . . 638 . A 76 ALA HA . 19179 1 691 . 1 1 76 76 ALA HB1 H 1 1.580 . . 1 . . 445 . A 76 ALA HB1 . 19179 1 692 . 1 1 76 76 ALA HB2 H 1 1.580 . . 1 . . 445 . A 76 ALA HB2 . 19179 1 693 . 1 1 76 76 ALA HB3 H 1 1.580 . . 1 . . 445 . A 76 ALA HB3 . 19179 1 694 . 1 1 76 76 ALA C C 13 181.968 . . 1 . . 137 . A 76 ALA C . 19179 1 695 . 1 1 76 76 ALA CA C 13 55.481 . . 1 . . 324 . A 76 ALA CA . 19179 1 696 . 1 1 76 76 ALA CB C 13 18.395 . . 1 . . 446 . A 76 ALA CB . 19179 1 697 . 1 1 76 76 ALA N N 15 120.276 . . 1 . . 348 . A 76 ALA N . 19179 1 698 . 1 1 77 77 VAL H H 1 8.662 . . 1 . . 55 . A 77 VAL H . 19179 1 699 . 1 1 77 77 VAL HA H 1 4.018 . . 1 . . 639 . A 77 VAL HA . 19179 1 700 . 1 1 77 77 VAL HB H 1 1.900 . . 1 . . 640 . A 77 VAL HB . 19179 1 701 . 1 1 77 77 VAL HG11 H 1 0.570 . . 2 . . 468 . A 77 VAL HG11 . 19179 1 702 . 1 1 77 77 VAL HG12 H 1 0.570 . . 2 . . 468 . A 77 VAL HG12 . 19179 1 703 . 1 1 77 77 VAL HG13 H 1 0.570 . . 2 . . 468 . A 77 VAL HG13 . 19179 1 704 . 1 1 77 77 VAL HG21 H 1 0.855 . . 2 . . 431 . A 77 VAL HG21 . 19179 1 705 . 1 1 77 77 VAL HG22 H 1 0.855 . . 2 . . 431 . A 77 VAL HG22 . 19179 1 706 . 1 1 77 77 VAL HG23 H 1 0.855 . . 2 . . 431 . A 77 VAL HG23 . 19179 1 707 . 1 1 77 77 VAL C C 13 178.133 . . 1 . . 186 . A 77 VAL C . 19179 1 708 . 1 1 77 77 VAL CA C 13 65.530 . . 1 . . 322 . A 77 VAL CA . 19179 1 709 . 1 1 77 77 VAL CB C 13 30.943 . . 1 . . 323 . A 77 VAL CB . 19179 1 710 . 1 1 77 77 VAL CG1 C 13 21.152 . . 2 . . 469 . A 77 VAL CG1 . 19179 1 711 . 1 1 77 77 VAL CG2 C 13 19.517 . . 2 . . 432 . A 77 VAL CG2 . 19179 1 712 . 1 1 77 77 VAL N N 15 114.746 . . 1 . . 56 . A 77 VAL N . 19179 1 713 . 1 1 78 78 CYS H H 1 7.740 . . 1 . . 127 . A 78 CYS H . 19179 1 714 . 1 1 78 78 CYS HA H 1 3.991 . . 1 . . 641 . A 78 CYS HA . 19179 1 715 . 1 1 78 78 CYS HB2 H 1 2.430 . . 2 . . 643 . A 78 CYS HB2 . 19179 1 716 . 1 1 78 78 CYS HB3 H 1 3.126 . . 2 . . 642 . A 78 CYS HB3 . 19179 1 717 . 1 1 78 78 CYS C C 13 177.621 . . 1 . . 187 . A 78 CYS C . 19179 1 718 . 1 1 78 78 CYS CA C 13 64.776 . . 1 . . 325 . A 78 CYS CA . 19179 1 719 . 1 1 78 78 CYS CB C 13 27.340 . . 1 . . 326 . A 78 CYS CB . 19179 1 720 . 1 1 78 78 CYS N N 15 119.096 . . 1 . . 128 . A 78 CYS N . 19179 1 721 . 1 1 79 79 GLU H H 1 8.106 . . 1 . . 135 . A 79 GLU H . 19179 1 722 . 1 1 79 79 GLU HA H 1 4.036 . . 1 . . 644 . A 79 GLU HA . 19179 1 723 . 1 1 79 79 GLU HB2 H 1 2.171 . . 2 . . 645 . A 79 GLU HB2 . 19179 1 724 . 1 1 79 79 GLU HB3 H 1 2.010 . . 2 . . 646 . A 79 GLU HB3 . 19179 1 725 . 1 1 79 79 GLU HG2 H 1 2.085 . . 2 . . 648 . A 79 GLU HG2 . 19179 1 726 . 1 1 79 79 GLU HG3 H 1 2.527 . . 2 . . 647 . A 79 GLU HG3 . 19179 1 727 . 1 1 79 79 GLU C C 13 179.135 . . 1 . . 188 . A 79 GLU C . 19179 1 728 . 1 1 79 79 GLU CA C 13 58.900 . . 1 . . 327 . A 79 GLU CA . 19179 1 729 . 1 1 79 79 GLU CB C 13 29.710 . . 1 . . 328 . A 79 GLU CB . 19179 1 730 . 1 1 79 79 GLU N N 15 118.797 . . 1 . . 136 . A 79 GLU N . 19179 1 731 . 1 1 80 80 GLU H H 1 8.167 . . 1 . . 123 . A 80 GLU H . 19179 1 732 . 1 1 80 80 GLU HA H 1 3.621 . . 1 . . 721 . A 80 GLU HA . 19179 1 733 . 1 1 80 80 GLU HB2 H 1 2.056 . . 1 . . 722 . A 80 GLU HB2 . 19179 1 734 . 1 1 80 80 GLU HB3 H 1 2.056 . . 1 . . 723 . A 80 GLU HB3 . 19179 1 735 . 1 1 80 80 GLU C C 13 177.433 . . 1 . . 189 . A 80 GLU C . 19179 1 736 . 1 1 80 80 GLU CA C 13 58.711 . . 1 . . 330 . A 80 GLU CA . 19179 1 737 . 1 1 80 80 GLU CB C 13 30.658 . . 1 . . 329 . A 80 GLU CB . 19179 1 738 . 1 1 80 80 GLU N N 15 119.483 . . 1 . . 124 . A 80 GLU N . 19179 1 739 . 1 1 81 81 LEU H H 1 8.145 . . 1 . . 107 . A 81 LEU H . 19179 1 740 . 1 1 81 81 LEU HA H 1 4.652 . . 1 . . 757 . A 81 LEU HA . 19179 1 741 . 1 1 81 81 LEU HB2 H 1 1.564 . . 2 . . 650 . A 81 LEU HB2 . 19179 1 742 . 1 1 81 81 LEU HB3 H 1 1.783 . . 2 . . 649 . A 81 LEU HB3 . 19179 1 743 . 1 1 81 81 LEU HG H 1 1.805 . . 1 . . 759 . A 81 LEU HG . 19179 1 744 . 1 1 81 81 LEU HD11 H 1 0.661 . . 2 . . 462 . A 81 LEU HD11 . 19179 1 745 . 1 1 81 81 LEU HD12 H 1 0.661 . . 2 . . 462 . A 81 LEU HD12 . 19179 1 746 . 1 1 81 81 LEU HD13 H 1 0.661 . . 2 . . 462 . A 81 LEU HD13 . 19179 1 747 . 1 1 81 81 LEU HD21 H 1 0.974 . . 2 . . 734 . A 81 LEU HD21 . 19179 1 748 . 1 1 81 81 LEU HD22 H 1 0.974 . . 2 . . 734 . A 81 LEU HD22 . 19179 1 749 . 1 1 81 81 LEU HD23 H 1 0.974 . . 2 . . 734 . A 81 LEU HD23 . 19179 1 750 . 1 1 81 81 LEU C C 13 177.355 . . 1 . . 177 . A 81 LEU C . 19179 1 751 . 1 1 81 81 LEU CA C 13 54.409 . . 1 . . 200 . A 81 LEU CA . 19179 1 752 . 1 1 81 81 LEU CB C 13 41.453 . . 1 . . 201 . A 81 LEU CB . 19179 1 753 . 1 1 81 81 LEU CG C 13 26.935 . . 1 . . 758 . A 81 LEU CG . 19179 1 754 . 1 1 81 81 LEU CD1 C 13 26.435 . . 2 . . 463 . A 81 LEU CD1 . 19179 1 755 . 1 1 81 81 LEU CD2 C 13 22.241 . . 2 . . 735 . A 81 LEU CD2 . 19179 1 756 . 1 1 81 81 LEU N N 15 117.475 . . 1 . . 108 . A 81 LEU N . 19179 1 757 . 1 1 82 82 GLY H H 1 7.218 . . 1 . . 53 . A 82 GLY H . 19179 1 758 . 1 1 82 82 GLY HA2 H 1 3.612 . . 2 . . 495 . A 82 GLY HA2 . 19179 1 759 . 1 1 82 82 GLY HA3 H 1 4.035 . . 2 . . 494 . A 82 GLY HA3 . 19179 1 760 . 1 1 82 82 GLY C C 13 175.024 . . 1 . . 176 . A 82 GLY C . 19179 1 761 . 1 1 82 82 GLY CA C 13 47.639 . . 1 . . 202 . A 82 GLY CA . 19179 1 762 . 1 1 82 82 GLY N N 15 112.498 . . 1 . . 54 . A 82 GLY N . 19179 1 763 . 1 1 83 83 ALA H H 1 8.202 . . 1 . . 50 . A 83 ALA H . 19179 1 764 . 1 1 83 83 ALA HA H 1 4.501 . . 1 . . 651 . A 83 ALA HA . 19179 1 765 . 1 1 83 83 ALA HB1 H 1 1.748 . . 1 . . 443 . A 83 ALA HB1 . 19179 1 766 . 1 1 83 83 ALA HB2 H 1 1.748 . . 1 . . 443 . A 83 ALA HB2 . 19179 1 767 . 1 1 83 83 ALA HB3 H 1 1.748 . . 1 . . 443 . A 83 ALA HB3 . 19179 1 768 . 1 1 83 83 ALA C C 13 177.567 . . 1 . . 142 . A 83 ALA C . 19179 1 769 . 1 1 83 83 ALA CA C 13 52.104 . . 1 . . 203 . A 83 ALA CA . 19179 1 770 . 1 1 83 83 ALA CB C 13 20.574 . . 1 . . 444 . A 83 ALA CB . 19179 1 771 . 1 1 83 83 ALA N N 15 126.068 . . 1 . . 49 . A 83 ALA N . 19179 1 772 . 1 1 84 84 GLU H H 1 9.004 . . 1 . . 17 . A 84 GLU H . 19179 1 773 . 1 1 84 84 GLU HA H 1 4.252 . . 1 . . 652 . A 84 GLU HA . 19179 1 774 . 1 1 84 84 GLU HB2 H 1 2.193 . . 2 . . 653 . A 84 GLU HB2 . 19179 1 775 . 1 1 84 84 GLU HB3 H 1 2.061 . . 2 . . 654 . A 84 GLU HB3 . 19179 1 776 . 1 1 84 84 GLU HG3 H 1 2.370 . . 1 . . 655 . A 84 GLU HG3 . 19179 1 777 . 1 1 84 84 GLU C C 13 175.915 . . 1 . . 172 . A 84 GLU C . 19179 1 778 . 1 1 84 84 GLU CA C 13 58.671 . . 1 . . 204 . A 84 GLU CA . 19179 1 779 . 1 1 84 84 GLU CB C 13 30.666 . . 1 . . 205 . A 84 GLU CB . 19179 1 780 . 1 1 84 84 GLU CG C 13 36.731 . . 1 . . 357 . A 84 GLU CG . 19179 1 781 . 1 1 84 84 GLU N N 15 118.661 . . 1 . . 18 . A 84 GLU N . 19179 1 782 . 1 1 85 85 GLU H H 1 7.318 . . 1 . . 9 . A 85 GLU H . 19179 1 783 . 1 1 85 85 GLU HA H 1 3.881 . . 1 . . 656 . A 85 GLU HA . 19179 1 784 . 1 1 85 85 GLU HG2 H 1 1.939 . . 2 . . 767 . A 85 GLU HG2 . 19179 1 785 . 1 1 85 85 GLU HG3 H 1 1.595 . . 2 . . 768 . A 85 GLU HG3 . 19179 1 786 . 1 1 85 85 GLU C C 13 173.815 . . 1 . . 190 . A 85 GLU C . 19179 1 787 . 1 1 85 85 GLU CA C 13 53.657 . . 1 . . 206 . A 85 GLU CA . 19179 1 788 . 1 1 85 85 GLU CB C 13 32.364 . . 1 . . 207 . A 85 GLU CB . 19179 1 789 . 1 1 85 85 GLU CG C 13 34.211 . . 1 . . 358 . A 85 GLU CG . 19179 1 790 . 1 1 85 85 GLU N N 15 111.162 . . 1 . . 10 . A 85 GLU N . 19179 1 791 . 1 1 86 86 CYS H H 1 8.035 . . 1 . . 119 . A 86 CYS H . 19179 1 792 . 1 1 86 86 CYS HA H 1 4.078 . . 1 . . 657 . A 86 CYS HA . 19179 1 793 . 1 1 86 86 CYS HB2 H 1 2.644 . . 2 . . 659 . A 86 CYS HB2 . 19179 1 794 . 1 1 86 86 CYS HB3 H 1 2.783 . . 2 . . 658 . A 86 CYS HB3 . 19179 1 795 . 1 1 86 86 CYS C C 13 177.088 . . 1 . . 174 . A 86 CYS C . 19179 1 796 . 1 1 86 86 CYS CA C 13 59.470 . . 1 . . 208 . A 86 CYS CA . 19179 1 797 . 1 1 86 86 CYS CB C 13 29.441 . . 1 . . 209 . A 86 CYS CB . 19179 1 798 . 1 1 86 86 CYS N N 15 122.106 . . 1 . . 120 . A 86 CYS N . 19179 1 799 . 1 1 87 87 PHE H H 1 8.292 . . 1 . . 35 . A 87 PHE H . 19179 1 800 . 1 1 87 87 PHE HA H 1 4.492 . . 1 . . 660 . A 87 PHE HA . 19179 1 801 . 1 1 87 87 PHE HB2 H 1 3.218 . . 2 . . 662 . A 87 PHE HB2 . 19179 1 802 . 1 1 87 87 PHE HB3 H 1 3.184 . . 2 . . 661 . A 87 PHE HB3 . 19179 1 803 . 1 1 87 87 PHE HD1 H 1 6.961 . . 3 . . 678 . A 87 PHE HD1 . 19179 1 804 . 1 1 87 87 PHE HD2 H 1 6.961 . . 3 . . 678 . A 87 PHE HD2 . 19179 1 805 . 1 1 87 87 PHE HE1 H 1 7.286 . . 3 . . 680 . A 87 PHE HE1 . 19179 1 806 . 1 1 87 87 PHE HE2 H 1 7.286 . . 3 . . 680 . A 87 PHE HE2 . 19179 1 807 . 1 1 87 87 PHE C C 13 176.921 . . 1 . . 168 . A 87 PHE C . 19179 1 808 . 1 1 87 87 PHE CA C 13 59.597 . . 1 . . 210 . A 87 PHE CA . 19179 1 809 . 1 1 87 87 PHE CB C 13 38.939 . . 1 . . 211 . A 87 PHE CB . 19179 1 810 . 1 1 87 87 PHE CD1 C 13 132.965 . . 3 . . 685 . A 87 PHE CD1 . 19179 1 811 . 1 1 87 87 PHE CD2 C 13 132.965 . . 3 . . 685 . A 87 PHE CD2 . 19179 1 812 . 1 1 87 87 PHE CE1 C 13 131.496 . . 3 . . 684 . A 87 PHE CE1 . 19179 1 813 . 1 1 87 87 PHE CE2 C 13 131.496 . . 3 . . 684 . A 87 PHE CE2 . 19179 1 814 . 1 1 87 87 PHE N N 15 129.406 . . 1 . . 36 . A 87 PHE N . 19179 1 815 . 1 1 88 88 SER H H 1 8.436 . . 1 . . 87 . A 88 SER H . 19179 1 816 . 1 1 88 88 SER HA H 1 4.131 . . 1 . . 663 . A 88 SER HA . 19179 1 817 . 1 1 88 88 SER HB2 H 1 2.430 . . 2 . . 665 . A 88 SER HB2 . 19179 1 818 . 1 1 88 88 SER HB3 H 1 2.651 . . 2 . . 664 . A 88 SER HB3 . 19179 1 819 . 1 1 88 88 SER C C 13 174.940 . . 1 . . 148 . A 88 SER C . 19179 1 820 . 1 1 88 88 SER CA C 13 60.832 . . 1 . . 212 . A 88 SER CA . 19179 1 821 . 1 1 88 88 SER CB C 13 62.143 . . 1 . . 213 . A 88 SER CB . 19179 1 822 . 1 1 88 88 SER N N 15 118.356 . . 1 . . 88 . A 88 SER N . 19179 1 823 . 1 1 89 89 CYS H H 1 7.699 . . 1 . . 51 . A 89 CYS H . 19179 1 824 . 1 1 89 89 CYS HA H 1 4.113 . . 1 . . 666 . A 89 CYS HA . 19179 1 825 . 1 1 89 89 CYS HB2 H 1 2.725 . . 2 . . 668 . A 89 CYS HB2 . 19179 1 826 . 1 1 89 89 CYS HB3 H 1 2.783 . . 2 . . 667 . A 89 CYS HB3 . 19179 1 827 . 1 1 89 89 CYS C C 13 174.660 . . 1 . . 146 . A 89 CYS C . 19179 1 828 . 1 1 89 89 CYS CA C 13 63.763 . . 1 . . 214 . A 89 CYS CA . 19179 1 829 . 1 1 89 89 CYS CB C 13 30.435 . . 1 . . 215 . A 89 CYS CB . 19179 1 830 . 1 1 89 89 CYS N N 15 125.476 . . 1 . . 52 . A 89 CYS N . 19179 1 831 . 1 1 90 90 ASP H H 1 7.569 . . 1 . . 75 . A 90 ASP H . 19179 1 832 . 1 1 90 90 ASP HA H 1 4.517 . . 1 . . 669 . A 90 ASP HA . 19179 1 833 . 1 1 90 90 ASP HB2 H 1 2.957 . . 2 . . 671 . A 90 ASP HB2 . 19179 1 834 . 1 1 90 90 ASP HB3 H 1 2.990 . . 2 . . 670 . A 90 ASP HB3 . 19179 1 835 . 1 1 90 90 ASP C C 13 175.429 . . 1 . . 352 . A 90 ASP C . 19179 1 836 . 1 1 90 90 ASP CA C 13 54.042 . . 1 . . 216 . A 90 ASP CA . 19179 1 837 . 1 1 90 90 ASP CB C 13 42.007 . . 1 . . 217 . A 90 ASP CB . 19179 1 838 . 1 1 90 90 ASP N N 15 119.756 . . 1 . . 76 . A 90 ASP N . 19179 1 839 . 1 1 91 91 PHE H H 1 7.910 . . 1 . . 133 . A 91 PHE H . 19179 1 840 . 1 1 91 91 PHE HA H 1 4.629 . . 1 . . 672 . A 91 PHE HA . 19179 1 841 . 1 1 91 91 PHE HB2 H 1 2.934 . . 2 . . 674 . A 91 PHE HB2 . 19179 1 842 . 1 1 91 91 PHE HB3 H 1 3.234 . . 2 . . 673 . A 91 PHE HB3 . 19179 1 843 . 1 1 91 91 PHE HD1 H 1 7.230 . . 3 . . 399 . A 91 PHE HD1 . 19179 1 844 . 1 1 91 91 PHE HD2 H 1 7.230 . . 3 . . 399 . A 91 PHE HD2 . 19179 1 845 . 1 1 91 91 PHE HE1 H 1 7.073 . . 3 . . 681 . A 91 PHE HE1 . 19179 1 846 . 1 1 91 91 PHE HE2 H 1 7.073 . . 3 . . 681 . A 91 PHE HE2 . 19179 1 847 . 1 1 91 91 PHE C C 13 174.893 . . 1 . . 191 . A 91 PHE C . 19179 1 848 . 1 1 91 91 PHE CA C 13 57.260 . . 1 . . 220 . A 91 PHE CA . 19179 1 849 . 1 1 91 91 PHE CB C 13 39.545 . . 1 . . 221 . A 91 PHE CB . 19179 1 850 . 1 1 91 91 PHE CD1 C 13 131.637 . . 3 . . 400 . A 91 PHE CD1 . 19179 1 851 . 1 1 91 91 PHE CD2 C 13 131.637 . . 3 . . 400 . A 91 PHE CD2 . 19179 1 852 . 1 1 91 91 PHE CE1 C 13 133.133 . . 3 . . 686 . A 91 PHE CE1 . 19179 1 853 . 1 1 91 91 PHE CE2 C 13 133.133 . . 3 . . 686 . A 91 PHE CE2 . 19179 1 854 . 1 1 91 91 PHE N N 15 120.531 . . 1 . . 134 . A 91 PHE N . 19179 1 855 . 1 1 92 92 ASP H H 1 7.971 . . 1 . . 43 . A 92 ASP H . 19179 1 856 . 1 1 92 92 ASP C C 13 180.884 . . 1 . . 351 . A 92 ASP C . 19179 1 857 . 1 1 92 92 ASP CA C 13 56.061 . . 1 . . 218 . A 92 ASP CA . 19179 1 858 . 1 1 92 92 ASP CB C 13 42.168 . . 1 . . 219 . A 92 ASP CB . 19179 1 859 . 1 1 92 92 ASP N N 15 126.836 . . 1 . . 44 . A 92 ASP N . 19179 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_peak_list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list _Spectral_peak_list.Entry_ID 19179 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $condition_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC/HMQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . 3827.24072266 . . . . . . . 19179 1 2 . . N 15 15N . . 1350.00000000 . . . . . . . 19179 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 19179 1 2 1.0 . . 19179 1 3 1.0 . . 19179 1 4 1.0 . . 19179 1 5 1.0 . . 19179 1 6 1.0 . . 19179 1 7 1.0 . . 19179 1 8 1.0 . . 19179 1 9 1.0 . . 19179 1 10 1.0 . . 19179 1 11 1.0 . . 19179 1 12 1.0 . . 19179 1 13 1.0 . . 19179 1 14 1.0 . . 19179 1 15 1.0 . . 19179 1 16 1.0 . . 19179 1 17 1.0 . . 19179 1 18 1.0 . . 19179 1 19 1.0 . . 19179 1 20 1.0 . . 19179 1 21 1.0 . . 19179 1 22 1.0 . . 19179 1 23 1.0 . . 19179 1 24 1.0 . . 19179 1 25 1.0 . . 19179 1 26 1.0 . . 19179 1 27 1.0 . . 19179 1 28 1.0 . . 19179 1 29 1.0 . . 19179 1 30 1.0 . . 19179 1 31 1.0 . . 19179 1 32 1.0 . . 19179 1 33 1.0 . . 19179 1 34 1.0 . . 19179 1 35 1.0 . . 19179 1 36 1.0 . . 19179 1 37 1.0 . . 19179 1 38 1.0 . . 19179 1 39 1.0 . . 19179 1 40 1.0 . . 19179 1 41 1.0 . . 19179 1 42 1.0 . . 19179 1 43 1.0 . . 19179 1 44 1.0 . . 19179 1 45 1.0 . . 19179 1 46 1.0 . . 19179 1 47 1.0 . . 19179 1 48 1.0 . . 19179 1 49 1.0 . . 19179 1 50 1.0 . . 19179 1 51 1.0 . . 19179 1 52 1.0 . . 19179 1 53 1.0 . . 19179 1 54 1.0 . . 19179 1 55 1.0 . . 19179 1 56 1.0 . . 19179 1 57 1.0 . . 19179 1 58 1.0 . . 19179 1 59 1.0 . . 19179 1 60 1.0 . . 19179 1 61 1.0 . . 19179 1 62 1.0 . . 19179 1 63 1.0 . . 19179 1 64 1.0 . . 19179 1 65 1.0 . . 19179 1 66 1.0 . . 19179 1 67 1.0 . . 19179 1 68 1.0 . . 19179 1 69 1.0 . . 19179 1 70 1.0 . . 19179 1 71 1.0 . . 19179 1 72 1.0 . . 19179 1 73 1.0 . . 19179 1 74 1.0 . . 19179 1 75 1.0 . . 19179 1 76 1.0 . . 19179 1 77 1.0 . . 19179 1 78 1.0 . . 19179 1 79 1.0 . . 19179 1 80 1.0 . . 19179 1 81 1.0 . . 19179 1 82 1.0 . . 19179 1 83 1.0 . . 19179 1 84 1.0 . . 19179 1 85 1.0 . . 19179 1 86 1.0 . . 19179 1 87 1.0 . . 19179 1 88 1.0 . . 19179 1 89 1.0 . . 19179 1 90 1.0 . . 19179 1 91 1.0 . . 19179 1 92 1.0 . . 19179 1 93 1.0 . . 19179 1 94 1.0 . . 19179 1 95 1.0 . . 19179 1 96 1.0 . . 19179 1 97 1.0 . . 19179 1 98 1.0 . . 19179 1 99 1.0 . . 19179 1 100 1.0 . . 19179 1 101 1.0 . . 19179 1 102 1.0 . . 19179 1 103 1.0 . . 19179 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 38601.84375000 . height 19179 1 1 214265.91015600 . volume 19179 1 2 64185.50000000 . height 19179 1 2 337897.89257800 . volume 19179 1 3 44328.58984380 . height 19179 1 3 238476.08105500 . volume 19179 1 4 49682.30468750 . height 19179 1 4 268469.02978500 . volume 19179 1 5 76231.38281250 . height 19179 1 5 386743.05273400 . volume 19179 1 6 101479.60156200 . height 19179 1 6 480275.74218800 . volume 19179 1 7 63872.89453120 . height 19179 1 7 310292.22656200 . volume 19179 1 8 106699.03906200 . height 19179 1 8 542465.43164100 . volume 19179 1 9 53949.39453120 . height 19179 1 9 271730.49511700 . volume 19179 1 10 59135.95312500 . height 19179 1 10 300941.60449200 . volume 19179 1 11 66765.15625000 . height 19179 1 11 331628.23046900 . volume 19179 1 12 78511.13281250 . height 19179 1 12 362992.88085900 . volume 19179 1 13 58706.62500000 . height 19179 1 13 287248.21093800 . volume 19179 1 14 58374.85937500 . height 19179 1 14 304873.27636700 . volume 19179 1 15 14865.26171880 . height 19179 1 15 77779.36816410 . volume 19179 1 16 95397.17968750 . height 19179 1 16 540774.25390600 . volume 19179 1 17 57151.76953120 . height 19179 1 17 449471.89550800 . volume 19179 1 18 56958.76171880 . height 19179 1 18 307897.62353500 . volume 19179 1 19 66700.67187500 . height 19179 1 19 336636.40234400 . volume 19179 1 20 52273.85937500 . height 19179 1 20 270165.99218800 . volume 19179 1 21 102119.71093800 . height 19179 1 21 513132.13281200 . volume 19179 1 22 101738.23437500 . height 19179 1 22 497450.32617200 . volume 19179 1 23 109374.78125000 . height 19179 1 23 545433.15820300 . volume 19179 1 24 112454.56250000 . height 19179 1 24 513448.76562500 . volume 19179 1 25 50954.21093750 . height 19179 1 25 279962.63378900 . volume 19179 1 26 66529.75000000 . height 19179 1 26 386192.85839800 . volume 19179 1 27 113973.39062500 . height 19179 1 27 547642.98535200 . volume 19179 1 28 66402.06250000 . height 19179 1 28 311609.75585900 . volume 19179 1 29 80686.63281250 . height 19179 1 29 389429.22168000 . volume 19179 1 30 74291.90625000 . height 19179 1 30 350033.37500000 . volume 19179 1 31 70292.97656250 . height 19179 1 31 385511.71191400 . volume 19179 1 32 61534.45312500 . height 19179 1 32 339557.86718800 . volume 19179 1 33 99353.00781250 . height 19179 1 33 536996.54296900 . volume 19179 1 34 64953.82031250 . height 19179 1 34 328271.03515600 . volume 19179 1 35 118335.80468800 . height 19179 1 35 594377.53125000 . volume 19179 1 36 95206.00000000 . height 19179 1 36 494025.19824200 . volume 19179 1 37 84141.82031250 . height 19179 1 37 464491.42187500 . volume 19179 1 38 89862.87500000 . height 19179 1 38 448696.45898400 . volume 19179 1 39 91313.57812500 . height 19179 1 39 466915.39843800 . volume 19179 1 40 65042.97265620 . height 19179 1 40 329084.32812500 . volume 19179 1 41 97086.75781250 . height 19179 1 41 456850.04882800 . volume 19179 1 42 71012.32812500 . height 19179 1 42 420707.52832000 . volume 19179 1 43 92249.46093750 . height 19179 1 43 488823.23242200 . volume 19179 1 44 83485.83593750 . height 19179 1 44 431127.55761700 . volume 19179 1 45 85147.53906250 . height 19179 1 45 461362.26074200 . volume 19179 1 46 82623.55468750 . height 19179 1 46 471078.92968800 . volume 19179 1 47 64054.96093750 . height 19179 1 47 335788.50683600 . volume 19179 1 48 75385.84375000 . height 19179 1 48 360776.05859400 . volume 19179 1 49 87092.86718750 . height 19179 1 49 485142.18945300 . volume 19179 1 50 108442.04687500 . height 19179 1 50 545981.33984400 . volume 19179 1 51 91672.68750000 . height 19179 1 51 513848.76562500 . volume 19179 1 52 91143.06250000 . height 19179 1 52 463902.27441400 . volume 19179 1 53 65134.90625000 . height 19179 1 53 341672.69726600 . volume 19179 1 54 88893.63281250 . height 19179 1 54 651006.56250000 . volume 19179 1 55 96764.40625000 . height 19179 1 55 506866.14062500 . volume 19179 1 56 128251.67968800 . height 19179 1 56 712708.82812500 . volume 19179 1 57 36229.44921880 . height 19179 1 57 250716.24023400 . volume 19179 1 58 70396.61718750 . height 19179 1 58 382632.89062500 . volume 19179 1 59 104430.12500000 . height 19179 1 59 589203.48242200 . volume 19179 1 60 131233.26562500 . height 19179 1 60 863884.91015600 . volume 19179 1 61 118615.92187500 . height 19179 1 61 624870.35937500 . volume 19179 1 62 44743.84765620 . height 19179 1 62 271686.49804700 . volume 19179 1 63 58514.42968750 . height 19179 1 63 348324.70507800 . volume 19179 1 64 50272.62890620 . height 19179 1 64 290265.13867200 . volume 19179 1 65 65086.77343750 . height 19179 1 65 340560.00390600 . volume 19179 1 66 128842.49218800 . height 19179 1 66 651380.49218800 . volume 19179 1 67 66893.95312500 . height 19179 1 67 366048.66894500 . volume 19179 1 68 75492.00781250 . height 19179 1 68 455961.81445300 . volume 19179 1 69 117857.24218800 . height 19179 1 69 728990.11328100 . volume 19179 1 70 69109.64843750 . height 19179 1 70 359981.40625000 . volume 19179 1 71 72011.23437500 . height 19179 1 71 377348.94140600 . volume 19179 1 72 85187.53125000 . height 19179 1 72 433094.21289100 . volume 19179 1 73 51468.27734380 . height 19179 1 73 328081.38183600 . volume 19179 1 74 75332.98437500 . height 19179 1 74 408377.16992200 . volume 19179 1 75 74604.17968750 . height 19179 1 75 369041.65234400 . volume 19179 1 76 34565.39843750 . height 19179 1 76 198996.70410200 . volume 19179 1 77 80135.73437500 . height 19179 1 77 424916.33203100 . volume 19179 1 78 56725.55859380 . height 19179 1 78 338564.97656200 . volume 19179 1 79 148085.85937500 . height 19179 1 79 728985.94531200 . volume 19179 1 80 152854.20312500 . height 19179 1 80 998238.95312500 . volume 19179 1 81 126560.86718800 . height 19179 1 81 903425.67187500 . volume 19179 1 82 42106.61718750 . height 19179 1 82 321973.10156200 . volume 19179 1 83 79450.34375000 . height 19179 1 83 452549.20117200 . volume 19179 1 84 25702.27734380 . height 19179 1 84 144178.50488300 . volume 19179 1 85 100240.37500000 . height 19179 1 85 742978.11328100 . volume 19179 1 86 145583.35937500 . height 19179 1 86 876665.59179700 . volume 19179 1 87 8849.79687500 . height 19179 1 87 52977.00311280 . volume 19179 1 88 9244.72851562 . height 19179 1 88 63770.27758790 . volume 19179 1 89 13943.21875000 . height 19179 1 89 84491.71435550 . volume 19179 1 90 12366.76269530 . height 19179 1 90 68182.13549800 . volume 19179 1 91 10455.37011720 . height 19179 1 91 54555.07788090 . volume 19179 1 92 7102.77392578 . height 19179 1 92 44668.51953120 . volume 19179 1 93 11803.23632810 . height 19179 1 93 59574.49560550 . volume 19179 1 94 11591.83007810 . height 19179 1 94 66119.54345700 . volume 19179 1 95 10067.06054690 . height 19179 1 95 59782.76367190 . volume 19179 1 96 7321.87548828 . height 19179 1 96 39417.86816410 . volume 19179 1 97 5915.38671875 . height 19179 1 97 29067.04956050 . volume 19179 1 98 9058.20117188 . height 19179 1 98 57291.40039060 . volume 19179 1 99 14334.81542970 . height 19179 1 99 82340.04101560 . volume 19179 1 100 5844.22363281 . height 19179 1 100 51901.57543950 . volume 19179 1 101 8328.40136719 . height 19179 1 101 53898.11627200 . volume 19179 1 102 7328.85742188 . height 19179 1 102 41480.13671880 . volume 19179 1 103 79802.90625000 . height 19179 1 103 549213.20703100 . volume 19179 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 11.396 . 31.7932485034 . . . . . . . . . . . 19179 1 1 2 126.283 . 16.8152296543 . . . . . . . . . . . 19179 1 2 1 10.333 . 25.3473511486 . . . . . . . . . . . 19179 1 2 2 118.526 . 16.0877823830 . . . . . . . . . . . 19179 1 3 1 10.615 . 21.7280492284 . . . . . . . . . . . 19179 1 3 2 114.969 . 17.6801776886 . . . . . . . . . . . 19179 1 4 1 9.519 . 20.8039223645 . . . . . . . . . . . 19179 1 4 2 114.429 . 18.0218696594 . . . . . . . . . . . 19179 1 5 1 6.971 . 25.0516665454 . . . . . . . . . . . 19179 1 5 2 112.992 . 15.5895996094 . . . . . . . . . . . 19179 1 6 1 7.318 . 19.4244808043 . . . . . . . . . . . 19179 1 6 2 111.162 . 15.1326799393 . . . . . . . . . . . 19179 1 7 1 9.004 . 20.3104548162 . . . . . . . . . . . 19179 1 7 2 118.661 . 15.5465984344 . . . . . . . . . . . 19179 1 8 1 9.118 . 23.8696479978 . . . . . . . . . . . 19179 1 8 2 118.511 . 16.2307548523 . . . . . . . . . . . 19179 1 9 1 9.001 . 20.2530455718 . . . . . . . . . . . 19179 1 9 2 114.674 . 16.7253327370 . . . . . . . . . . . 19179 1 10 1 8.935 . 22.6813306302 . . . . . . . . . . . 19179 1 10 2 122.528 . 16.1292707920 . . . . . . . . . . . 19179 1 11 1 8.856 . 21.9238525445 . . . . . . . . . . . 19179 1 11 2 121.053 . 15.9347033501 . . . . . . . . . . . 19179 1 12 1 8.756 . 18.9369521432 . . . . . . . . . . . 19179 1 12 2 126.867 . 14.6812158823 . . . . . . . . . . . 19179 1 13 1 8.834 . 22.1104775801 . . . . . . . . . . . 19179 1 13 2 126.015 . 15.2402472496 . . . . . . . . . . . 19179 1 14 1 8.622 . 23.9646701953 . . . . . . . . . . . 19179 1 14 2 124.951 . 16.7516613007 . . . . . . . . . . . 19179 1 16 1 8.586 . 21.8137131792 . . . . . . . . . . . 19179 1 16 2 129.774 . 20.0135868788 . . . . . . . . . . . 19179 1 17 1 8.589 . 21.6988946906 . . . . . . . . . . . 19179 1 17 2 129.584 . 27.5845375657 . . . . . . . . . . . 19179 1 18 1 8.292 . 19.5322806079 . . . . . . . . . . . 19179 1 18 2 129.406 . 18.1240940094 . . . . . . . . . . . 19179 1 19 1 8.189 . 23.6787037714 . . . . . . . . . . . 19179 1 19 2 129.923 . 15.5818265676 . . . . . . . . . . . 19179 1 20 1 8.261 . 23.5253724981 . . . . . . . . . . . 19179 1 20 2 130.573 . 16.2724484503 . . . . . . . . . . . 19179 1 21 1 8.298 . 20.2850795702 . . . . . . . . . . . 19179 1 21 2 127.826 . 16.5054666996 . . . . . . . . . . . 19179 1 22 1 7.644 . 20.8784284057 . . . . . . . . . . . 19179 1 22 2 130.075 . 15.8067539334 . . . . . . . . . . . 19179 1 23 1 7.971 . 46.3220615159 . . . . . . . . . . . 19179 1 23 2 126.836 . 15.3557807207 . . . . . . . . . . . 19179 1 25 1 8.431 . 27.9599216810 . . . . . . . . . . . 19179 1 25 2 125.551 . 16.8726503849 . . . . . . . . . . . 19179 1 26 1 8.344 . 20.9991857817 . . . . . . . . . . . 19179 1 26 2 125.684 . 19.3067872524 . . . . . . . . . . . 19179 1 27 1 8.202 . 18.2593790872 . . . . . . . . . . . 19179 1 27 2 126.068 . 16.0738134384 . . . . . . . . . . . 19179 1 28 1 7.699 . 20.4288726305 . . . . . . . . . . . 19179 1 28 2 125.476 . 14.4702816010 . . . . . . . . . . . 19179 1 29 1 7.218 . 21.1341604941 . . . . . . . . . . . 19179 1 29 2 127.998 . 15.6757146120 . . . . . . . . . . . 19179 1 30 1 8.483 . 20.0111708873 . . . . . . . . . . . 19179 1 30 2 115.194 . 14.5336890221 . . . . . . . . . . . 19179 1 31 1 8.662 . 23.5937596857 . . . . . . . . . . . 19179 1 31 2 114.746 . 17.7865862846 . . . . . . . . . . . 19179 1 33 1 7.791 . 22.9055686190 . . . . . . . . . . . 19179 1 33 2 116.770 . 17.7698493004 . . . . . . . . . . . 19179 1 34 1 7.669 . 22.4999246168 . . . . . . . . . . . 19179 1 34 2 116.476 . 16.3511967659 . . . . . . . . . . . 19179 1 35 1 7.684 . 20.4916808633 . . . . . . . . . . . 19179 1 35 2 115.784 . 16.5625977516 . . . . . . . . . . . 19179 1 36 1 7.957 . 22.3899652178 . . . . . . . . . . . 19179 1 36 2 115.092 . 16.7688488960 . . . . . . . . . . . 19179 1 37 1 6.925 . 24.2446977318 . . . . . . . . . . . 19179 1 37 2 122.935 . 17.6928913593 . . . . . . . . . . . 19179 1 38 1 7.372 . 20.2357688087 . . . . . . . . . . . 19179 1 38 2 121.839 . 16.5416765213 . . . . . . . . . . . 19179 1 39 1 7.184 . 23.5154743526 . . . . . . . . . . . 19179 1 39 2 120.330 . 15.6600236893 . . . . . . . . . . . 19179 1 40 1 7.026 . 23.1649000330 . . . . . . . . . . . 19179 1 40 2 119.632 . 15.5442166328 . . . . . . . . . . . 19179 1 41 1 7.569 . 19.3485350328 . . . . . . . . . . . 19179 1 41 2 119.756 . 15.6200480461 . . . . . . . . . . . 19179 1 42 1 7.413 . 24.1041440647 . . . . . . . . . . . 19179 1 42 2 119.568 . 18.9107966423 . . . . . . . . . . . 19179 1 43 1 7.839 . 22.6019654994 . . . . . . . . . . . 19179 1 43 2 122.302 . 17.2940361500 . . . . . . . . . . . 19179 1 44 1 7.643 . 18.6369483492 . . . . . . . . . . . 19179 1 44 2 122.059 . 17.7468037605 . . . . . . . . . . . 19179 1 45 1 7.669 . 24.0262186641 . . . . . . . . . . . 19179 1 45 2 121.347 . 17.3841905594 . . . . . . . . . . . 19179 1 46 1 7.796 . 22.8145056797 . . . . . . . . . . . 19179 1 46 2 121.221 . 18.6395287514 . . . . . . . . . . . 19179 1 47 1 8.436 . 21.8286503807 . . . . . . . . . . . 19179 1 47 2 118.356 . 17.1122789383 . . . . . . . . . . . 19179 1 48 1 8.138 . 19.8389431543 . . . . . . . . . . . 19179 1 48 2 116.865 . 15.0401759148 . . . . . . . . . . . 19179 1 49 1 8.262 . 22.7085055390 . . . . . . . . . . . 19179 1 49 2 118.625 . 18.7681460381 . . . . . . . . . . . 19179 1 50 1 8.288 . 21.2034475131 . . . . . . . . . . . 19179 1 50 2 118.249 . 16.3549304008 . . . . . . . . . . . 19179 1 51 1 8.275 . 23.1001121711 . . . . . . . . . . . 19179 1 51 2 117.808 . 19.5504713058 . . . . . . . . . . . 19179 1 52 1 8.228 . 21.9612855314 . . . . . . . . . . . 19179 1 52 2 117.589 . 16.7145180702 . . . . . . . . . . . 19179 1 53 1 7.986 . 21.4390233777 . . . . . . . . . . . 19179 1 53 2 118.085 . 36.7566704750 . . . . . . . . . . . 19179 1 54 1 8.085 . 27.1007626453 . . . . . . . . . . . 19179 1 54 2 117.689 . 34.2767643929 . . . . . . . . . . . 19179 1 55 1 8.008 . 26.4381267907 . . . . . . . . . . . 19179 1 55 2 117.714 . 16.2212920189 . . . . . . . . . . . 19179 1 56 1 8.108 . 35.2474763504 . . . . . . . . . . . 19179 1 56 2 117.450 . 19.8827004433 . . . . . . . . . . . 19179 1 57 1 8.145 . 74.0730423421 . . . . . . . . . . . 19179 1 57 2 117.475 . 21.9154715538 . . . . . . . . . . . 19179 1 58 1 8.583 . 66.3146958760 . . . . . . . . . . . 19179 1 58 2 120.029 . 17.5502729416 . . . . . . . . . . . 19179 1 59 1 8.521 . 25.3138774200 . . . . . . . . . . . 19179 1 59 2 120.095 . 19.0578246117 . . . . . . . . . . . 19179 1 60 1 8.456 . 23.3412669905 . . . . . . . . . . . 19179 1 60 2 119.918 . 26.1996889114 . . . . . . . . . . . 19179 1 61 1 8.286 . 22.9663972227 . . . . . . . . . . . 19179 1 61 2 121.167 . 17.0213198662 . . . . . . . . . . . 19179 1 65 1 8.112 . 22.8760541486 . . . . . . . . . . . 19179 1 65 2 122.973 . 16.3644897938 . . . . . . . . . . . 19179 1 66 1 8.089 . 21.6629014339 . . . . . . . . . . . 19179 1 66 2 122.263 . 16.4659094810 . . . . . . . . . . . 19179 1 67 1 8.035 . 24.4151258020 . . . . . . . . . . . 19179 1 67 2 122.106 . 17.5075936317 . . . . . . . . . . . 19179 1 68 1 8.153 . 30.6579761978 . . . . . . . . . . . 19179 1 68 2 121.819 . 20.1766276360 . . . . . . . . . . . 19179 1 70 1 8.328 . 22.5683118044 . . . . . . . . . . . 19179 1 70 2 119.408 . 17.2390937805 . . . . . . . . . . . 19179 1 71 1 8.244 . 23.0941732837 . . . . . . . . . . . 19179 1 71 2 119.234 . 16.4171791077 . . . . . . . . . . . 19179 1 72 1 8.167 . 21.0735118567 . . . . . . . . . . . 19179 1 72 2 119.483 . 16.6740918159 . . . . . . . . . . . 19179 1 75 1 8.106 . 21.2144254564 . . . . . . . . . . . 19179 1 75 2 118.797 . 15.6178593636 . . . . . . . . . . . 19179 1 77 1 7.919 . 23.9875259132 . . . . . . . . . . . 19179 1 77 2 119.446 . 16.5326642990 . . . . . . . . . . . 19179 1 78 1 7.740 . 24.6064299610 . . . . . . . . . . . 19179 1 78 2 119.096 . 19.2410302162 . . . . . . . . . . . 19179 1 79 1 7.745 . 21.5937943812 . . . . . . . . . . . 19179 1 79 2 120.144 . 15.1062870026 . . . . . . . . . . . 19179 1 80 1 7.835 . 23.1422242813 . . . . . . . . . . . 19179 1 80 2 120.169 . 25.1753854752 . . . . . . . . . . . 19179 1 81 1 7.910 . 28.5905235371 . . . . . . . . . . . 19179 1 81 2 120.531 . 22.5068664551 . . . . . . . . . . . 19179 1 85 1 7.839 . 29.0539367162 . . . . . . . . . . . 19179 1 85 2 120.276 . 29.4937849045 . . . . . . . . . . . 19179 1 86 1 7.909 . 25.9750735442 . . . . . . . . . . . 19179 1 86 2 120.580 . 20.6328392029 . . . . . . . . . . . 19179 1 103 1 8.445 . 22.0410105948 . . . . . . . . . . . 19179 1 103 2 119.691 . 35.2628302574 . . . . . . . . . . . 19179 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 11.396 . . 1 . 1 1 62 SER H . . . . . . . . . . 1 . 19179 1 1 2 1 . . 126.283 . . 1 . 1 1 62 SER N . . . . . . . . . . 2 . 19179 1 2 1 1 . . 10.333 . . 1 . 1 1 63 ASN H . . . . . . . . . . 5 . 19179 1 2 2 1 . . 118.526 . . 1 . 1 1 63 ASN N . . . . . . . . . . 6 . 19179 1 3 1 1 . . 10.615 . . 1 . 1 1 36 GLY H . . . . . . . . . . 3 . 19179 1 3 2 1 . . 114.969 . . 1 . 1 1 36 GLY N . . . . . . . . . . 4 . 19179 1 4 1 1 . . 9.519 . . 1 . 1 1 40 SER H . . . . . . . . . . 7 . 19179 1 4 2 1 . . 114.429 . . 1 . 1 1 40 SER N . . . . . . . . . . 8 . 19179 1 5 1 1 . . 6.971 . . 1 . 1 1 64 PHE H . . . . . . . . . . 11 . 19179 1 5 2 1 . . 112.992 . . 1 . 1 1 64 PHE N . . . . . . . . . . 12 . 19179 1 6 1 1 . . 7.318 . . 1 . 1 1 85 GLU H . . . . . . . . . . 9 . 19179 1 6 2 1 . . 111.162 . . 1 . 1 1 85 GLU N . . . . . . . . . . 10 . 19179 1 7 1 1 . . 9.004 . . 1 . 1 1 84 GLU H . . . . . . . . . . 17 . 19179 1 7 2 1 . . 118.661 . . 1 . 1 1 84 GLU N . . . . . . . . . . 18 . 19179 1 8 1 2 . . 9.118 . . 1 . 1 1 55 LYS H . . . . . . . . . . 16 . 19179 1 8 2 2 . . 118.511 . . 1 . 1 1 55 LYS N . . . . . . . . . . 15 . 19179 1 9 1 1 . . 9.001 . . 1 . 1 1 42 SER H . . . . . . . . . . 13 . 19179 1 9 2 1 . . 114.674 . . 1 . 1 1 42 SER N . . . . . . . . . . 14 . 19179 1 10 1 1 . . 8.935 . . 1 . 1 1 33 VAL H . . . . . . . . . . 21 . 19179 1 10 2 1 . . 122.528 . . 1 . 1 1 33 VAL N . . . . . . . . . . 22 . 19179 1 11 1 1 . . 8.856 . . 1 . 1 1 29 ALA H . . . . . . . . . . 19 . 19179 1 11 2 1 . . 121.053 . . 1 . 1 1 29 ALA N . . . . . . . . . . 20 . 19179 1 12 1 1 . . 8.756 . . 1 . 1 1 32 GLU H . . . . . . . . . . 27 . 19179 1 12 2 1 . . 126.867 . . 1 . 1 1 32 GLU N . . . . . . . . . . 28 . 19179 1 13 1 1 . . 8.834 . . 1 . 1 1 34 HIS H . . . . . . . . . . 25 . 19179 1 13 2 1 . . 126.015 . . 1 . 1 1 34 HIS N . . . . . . . . . . 26 . 19179 1 14 1 1 . . 8.622 . . 1 . 1 1 38 TYR H . . . . . . . . . . 23 . 19179 1 14 2 1 . . 124.951 . . 1 . 1 1 38 TYR N . . . . . . . . . . 24 . 19179 1 16 1 6 . . 8.586 . . 1 . 1 1 31 CYS H . . . . . . . . . . 31 . 19179 1 16 2 3 . . 129.774 . . 1 . 1 1 31 CYS N . . . . . . . . . . 32 . 19179 1 17 1 1 . . 8.589 . . 1 . 1 1 45 ILE H . . . . . . . . . . 29 . 19179 1 17 2 1 . . 129.584 . . 1 . 1 1 45 ILE N . . . . . . . . . . 30 . 19179 1 18 1 1 . . 8.292 . . 1 . 1 1 87 PHE H . . . . . . . . . . 35 . 19179 1 18 2 1 . . 129.406 . . 1 . 1 1 87 PHE N . . . . . . . . . . 36 . 19179 1 19 1 1 . . 8.189 . . 1 . 1 1 26 GLY H . . . . . . . . . . 37 . 19179 1 19 2 1 . . 129.923 . . 1 . 1 1 26 GLY N . . . . . . . . . . 38 . 19179 1 20 1 1 . . 8.261 . . 1 . 1 1 43 GLY H . . . . . . . . . . 39 . 19179 1 20 2 1 . . 130.573 . . 1 . 1 1 43 GLY N . . . . . . . . . . 40 . 19179 1 21 1 1 . . 8.298 . . 1 . 1 1 67 VAL H . . . . . . . . . . 33 . 19179 1 21 2 1 . . 127.826 . . 1 . 1 1 67 VAL N . . . . . . . . . . 34 . 19179 1 22 1 1 . . 7.644 . . 1 . 1 1 59 GLY H . . . . . . . . . . 41 . 19179 1 22 2 1 . . 130.075 . . 1 . 1 1 59 GLY N . . . . . . . . . . 42 . 19179 1 23 1 2 . . 7.971 . . 1 . 1 1 92 ASP H . . . . . . . . . . 43 . 19179 1 23 2 3 . . 126.836 . . 1 . 1 1 92 ASP N . . . . . . . . . . 44 . 19179 1 25 1 1 . . 8.431 . . 1 . 1 1 41 ASP H . . . . . . . . . . 45 . 19179 1 25 2 1 . . 125.551 . . 1 . 1 1 41 ASP N . . . . . . . . . . 46 . 19179 1 26 1 1 . . 8.344 . . 1 . 1 1 24 GLU H . . . . . . . . . . 47 . 19179 1 26 2 1 . . 125.684 . . 1 . 1 1 24 GLU N . . . . . . . . . . 48 . 19179 1 27 1 1 . . 8.202 . . 1 . 1 1 83 ALA H . . . . . . . . . . 50 . 19179 1 27 2 1 . . 126.068 . . 1 . 1 1 83 ALA N . . . . . . . . . . 49 . 19179 1 28 1 1 . . 7.699 . . 1 . 1 1 89 CYS H . . . . . . . . . . 51 . 19179 1 28 2 1 . . 125.476 . . 1 . 1 1 89 CYS N . . . . . . . . . . 52 . 19179 1 29 1 1 . . 7.218 . . 1 . 1 1 82 GLY H . . . . . . . . . . 53 . 19179 1 29 2 1 . . 127.998 . . 1 . 1 1 82 GLY N . . . . . . . . . . 54 . 19179 1 30 1 1 . . 8.483 . . 1 . 1 1 39 PHE H . . . . . . . . . . 57 . 19179 1 30 2 1 . . 115.194 . . 1 . 1 1 39 PHE N . . . . . . . . . . 58 . 19179 1 31 1 1 . . 8.662 . . 1 . 1 1 77 VAL H . . . . . . . . . . 55 . 19179 1 31 2 1 . . 114.746 . . 1 . 1 1 77 VAL N . . . . . . . . . . 56 . 19179 1 33 1 3 . . 7.791 . . 1 . 1 1 72 LYS H . . . . . . . . . . 65 . 19179 1 33 2 2 . . 116.770 . . 1 . 1 1 72 LYS N . . . . . . . . . . 66 . 19179 1 34 1 1 . . 7.669 . . 1 . 1 1 37 THR H . . . . . . . . . . 63 . 19179 1 34 2 1 . . 116.476 . . 1 . 1 1 37 THR N . . . . . . . . . . 64 . 19179 1 35 1 1 . . 7.684 . . 1 . 1 1 58 LYS H . . . . . . . . . . 61 . 19179 1 35 2 1 . . 115.784 . . 1 . 1 1 58 LYS N . . . . . . . . . . 62 . 19179 1 36 1 1 . . 7.957 . . 1 . 1 1 53 ARG H . . . . . . . . . . 59 . 19179 1 36 2 1 . . 115.092 . . 1 . 1 1 53 ARG N . . . . . . . . . . 60 . 19179 1 37 1 1 . . 6.925 . . 1 . 1 1 48 ALA H . . . . . . . . . . 67 . 19179 1 37 2 1 . . 122.935 . . 1 . 1 1 48 ALA N . . . . . . . . . . 68 . 19179 1 38 1 1 . . 7.372 . . 1 . 1 1 47 GLU H . . . . . . . . . . 73 . 19179 1 38 2 1 . . 121.839 . . 1 . 1 1 47 GLU N . . . . . . . . . . 74 . 19179 1 39 1 1 . . 7.184 . . 1 . 1 1 70 LEU H . . . . . . . . . . 71 . 19179 1 39 2 1 . . 120.330 . . 1 . 1 1 70 LEU N . . . . . . . . . . 72 . 19179 1 40 1 1 . . 7.026 . . 1 . 1 1 28 LEU H . . . . . . . . . . 69 . 19179 1 40 2 1 . . 119.632 . . 1 . 1 1 28 LEU N . . . . . . . . . . 70 . 19179 1 41 1 1 . . 7.569 . . 1 . 1 1 90 ASP H . . . . . . . . . . 75 . 19179 1 41 2 1 . . 119.756 . . 1 . 1 1 90 ASP N . . . . . . . . . . 76 . 19179 1 42 1 1 . . 7.413 . . 1 . 1 1 66 ASP H . . . . . . . . . . 77 . 19179 1 42 2 1 . . 119.568 . . 1 . 1 1 66 ASP N . . . . . . . . . . 78 . 19179 1 43 1 1 . . 7.839 . . 1 . 1 1 22 ALA H . . . . . . . . . . 79 . 19179 1 43 2 1 . . 122.302 . . 1 . 1 1 22 ALA N . . . . . . . . . . 80 . 19179 1 44 1 1 . . 7.643 . . 1 . 1 1 35 GLU H . . . . . . . . . . 85 . 19179 1 44 2 1 . . 122.059 . . 1 . 1 1 35 GLU N . . . . . . . . . . 86 . 19179 1 45 1 1 . . 7.669 . . 1 . 1 1 69 GLU H . . . . . . . . . . 83 . 19179 1 45 2 1 . . 121.347 . . 1 . 1 1 69 GLU N . . . . . . . . . . 84 . 19179 1 46 1 1 . . 7.796 . . 1 . 1 1 73 LYS H . . . . . . . . . . 81 . 19179 1 46 2 1 . . 121.221 . . 1 . 1 1 73 LYS N . . . . . . . . . . 82 . 19179 1 47 1 1 . . 8.436 . . 1 . 1 1 88 SER H . . . . . . . . . . 87 . 19179 1 47 2 1 . . 118.356 . . 1 . 1 1 88 SER N . . . . . . . . . . 88 . 19179 1 48 1 1 . . 8.138 . . 1 . 1 1 20 TYR H . . . . . . . . . . 89 . 19179 1 48 2 1 . . 116.865 . . 1 . 1 1 20 TYR N . . . . . . . . . . 90 . 19179 1 49 1 1 . . 8.262 . . 1 . 1 1 71 VAL H . . . . . . . . . . 97 . 19179 1 49 2 1 . . 118.625 . . 1 . 1 1 71 VAL N . . . . . . . . . . 98 . 19179 1 50 1 1 . . 8.288 . . 1 . 1 1 49 GLU H . . . . . . . . . . 95 . 19179 1 50 2 1 . . 118.249 . . 1 . 1 1 49 GLU N . . . . . . . . . . 96 . 19179 1 51 1 1 . . 8.275 . . 1 . 1 1 46 SER H . . . . . . . . . . 93 . 19179 1 51 2 1 . . 117.808 . . 1 . 1 1 46 SER N . . . . . . . . . . 94 . 19179 1 52 1 1 . . 8.228 . . 1 . 1 1 25 ALA H . . . . . . . . . . 91 . 19179 1 52 2 1 . . 117.589 . . 1 . 1 1 25 ALA N . . . . . . . . . . 92 . 19179 1 53 1 1 . . 7.986 . . 1 . 1 1 14 LYS H . . . . . . . . . . 101 . 19179 1 53 2 1 . . 118.085 . . 1 . 1 1 14 LYS N . . . . . . . . . . 102 . 19179 1 54 1 1 . . 8.085 . . 1 . 1 1 18 ALA H . . . . . . . . . . 103 . 19179 1 54 2 1 . . 117.689 . . 1 . 1 1 18 ALA N . . . . . . . . . . 104 . 19179 1 55 1 1 . . 8.008 . . 1 . 1 1 60 GLU H . . . . . . . . . . 99 . 19179 1 55 2 1 . . 117.714 . . 1 . 1 1 60 GLU N . . . . . . . . . . 100 . 19179 1 56 1 1 . . 8.108 . . 1 . 1 1 50 GLU H . . . . . . . . . . 105 . 19179 1 56 2 1 . . 117.450 . . 1 . 1 1 50 GLU N . . . . . . . . . . 106 . 19179 1 57 1 1 . . 8.145 . . 1 . 1 1 81 LEU H . . . . . . . . . . 107 . 19179 1 57 2 1 . . 117.475 . . 1 . 1 1 81 LEU N . . . . . . . . . . 108 . 19179 1 58 1 1 . . 8.583 . . 1 . 1 1 44 ASP H . . . . . . . . . . 109 . 19179 1 58 2 1 . . 120.029 . . 1 . 1 1 44 ASP N . . . . . . . . . . 110 . 19179 1 59 1 1 . . 8.521 . . 1 . 1 1 75 VAL H . . . . . . . . . . 111 . 19179 1 59 2 1 . . 120.095 . . 1 . 1 1 75 VAL N . . . . . . . . . . 112 . 19179 1 60 1 1 . . 8.456 . . 1 . 1 1 56 PHE H . . . . . . . . . . 796 . 19179 1 60 2 1 . . 119.918 . . 1 . 1 1 56 PHE N . . . . . . . . . . 797 . 19179 1 61 1 1 . . 8.286 . . 1 . 1 1 52 ALA H . . . . . . . . . . 113 . 19179 1 61 2 1 . . 121.167 . . 1 . 1 1 52 ALA N . . . . . . . . . . 114 . 19179 1 65 1 1 . . 8.112 . . 1 . 1 1 21 ILE H . . . . . . . . . . 115 . 19179 1 65 2 1 . . 122.973 . . 1 . 1 1 21 ILE N . . . . . . . . . . 116 . 19179 1 66 1 1 . . 8.089 . . 1 . 1 1 54 GLU H . . . . . . . . . . 117 . 19179 1 66 2 1 . . 122.263 . . 1 . 1 1 54 GLU N . . . . . . . . . . 118 . 19179 1 67 1 1 . . 8.035 . . 1 . 1 1 86 CYS H . . . . . . . . . . 119 . 19179 1 67 2 1 . . 122.106 . . 1 . 1 1 86 CYS N . . . . . . . . . . 120 . 19179 1 68 1 1 . . 8.153 . . 1 . 1 1 57 GLU H . . . . . . . . . . 336 . 19179 1 68 2 1 . . 121.819 . . 1 . 1 1 57 GLU N . . . . . . . . . . 335 . 19179 1 70 1 2 . . 8.328 . . 1 . 1 1 23 ILE H . . . . . . . . . . 687 . 19179 1 70 2 1 . . 119.408 . . 1 . 1 1 23 ILE N . . . . . . . . . . 688 . 19179 1 71 1 1 . . 8.244 . . 1 . 1 1 30 GLU H . . . . . . . . . . 121 . 19179 1 71 2 1 . . 119.234 . . 1 . 1 1 30 GLU N . . . . . . . . . . 122 . 19179 1 72 1 1 . . 8.167 . . 1 . 1 1 80 GLU H . . . . . . . . . . 123 . 19179 1 72 2 1 . . 119.483 . . 1 . 1 1 80 GLU N . . . . . . . . . . 124 . 19179 1 75 1 1 . . 8.106 . . 1 . 1 1 79 GLU H . . . . . . . . . . 135 . 19179 1 75 2 1 . . 118.797 . . 1 . 1 1 79 GLU N . . . . . . . . . . 136 . 19179 1 77 1 1 . . 7.919 . . 1 . 1 1 27 THR H . . . . . . . . . . 125 . 19179 1 77 2 1 . . 119.446 . . 1 . 1 1 27 THR N . . . . . . . . . . 126 . 19179 1 78 1 1 . . 7.740 . . 1 . 1 1 78 CYS H . . . . . . . . . . 127 . 19179 1 78 2 1 . . 119.096 . . 1 . 1 1 78 CYS N . . . . . . . . . . 128 . 19179 1 79 1 1 . . 7.745 . . 1 . 1 1 61 VAL H . . . . . . . . . . 129 . 19179 1 79 2 1 . . 120.144 . . 1 . 1 1 61 VAL N . . . . . . . . . . 130 . 19179 1 80 1 1 . . 7.835 . . 1 . 1 1 51 LEU H . . . . . . . . . . 131 . 19179 1 80 2 1 . . 120.169 . . 1 . 1 1 51 LEU N . . . . . . . . . . 132 . 19179 1 81 1 1 . . 7.910 . . 1 . 1 1 91 PHE H . . . . . . . . . . 133 . 19179 1 81 2 1 . . 120.531 . . 1 . 1 1 91 PHE N . . . . . . . . . . 134 . 19179 1 85 1 1 . . 7.839 . . 1 . 1 1 76 ALA H . . . . . . . . . . 347 . 19179 1 85 2 1 . . 120.276 . . 1 . 1 1 76 ALA N . . . . . . . . . . 348 . 19179 1 86 1 1 . . 7.909 . . 1 . 1 1 68 GLU H . . . . . . . . . . 353 . 19179 1 86 2 1 . . 120.580 . . 1 . 1 1 68 GLU N . . . . . . . . . . 354 . 19179 1 103 1 1 . . 8.445 . . 1 . 1 1 74 VAL H . . . . . . . . . . 695 . 19179 1 103 2 1 . . 119.691 . . 1 . 1 1 74 VAL N . . . . . . . . . . 694 . 19179 1 stop_ save_