data_17561 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17561 _Entry.Title ; Solution Structure of the Dimeric Form of a Unliganded Bovine Neurophysin, Minimized Average Structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-31 _Entry.Accession_date 2011-03-31 _Entry.Last_release_date 2012-04-03 _Entry.Original_release_date 2012-04-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hunjoong Lee . . . 17561 2 Mandar Naik . . . 17561 3 Tam Nguyen . . . 17561 4 Clay Bracken . . . 17561 5 Esther Breslow . . . 17561 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' . 17561 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID neurophysin . 17561 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17561 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 86 17561 '15N chemical shifts' 154 17561 '1H chemical shifts' 708 17561 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-04-03 2011-03-31 original author . 17561 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LBH 'BMRB Entry Tracking System' 17561 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17561 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural Basis of the Dimerization-Induced Increase in Neurophysin-Hormone Affinity: Interplay of Inter-Domain and Inter-Subunit Interactions' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hunjoong Lee . . . 17561 1 2 Mandar Naik . . . 17561 1 3 Clay Bracken . . . 17561 1 4 Esther Breslow . . . 17561 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17561 _Assembly.ID 1 _Assembly.Name 'Unliganded Bovine Neurophysin' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'Neurophysin, 1' 1 $Neurophysin A . yes native no no . . . 17561 1 2 'Neurophysin, 2' 1 $Neurophysin B . yes native no no . . . 17561 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Neurophysin _Entity.Sf_category entity _Entity.Sf_framecode Neurophysin _Entity.Entry_ID 17561 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Bovine Neurophysin' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AVLDLDVRTCLPCGPGGKGR CFGPSICCGDELGCFVGTAE ALRCQEENYLPSPCQSGQKP CGSGGRCAAAGICCSPDGCH EDPACDPEAAFS ; _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 . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9295.494 _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 no BMRB 17571 . "Mutant Unliganded Bovine Neurophysin" . . . . . 100.00 92 98.91 98.91 1.79e-54 . . . . 17561 1 2 no PDB 1L5C . "Solution Structure Of The Monomeric Form Of A Mutant Unliganded Bovine Neurophysin, 20 Structures" . . . . . 100.00 92 98.91 98.91 1.79e-54 . . . . 17561 1 3 no PDB 1L5D . "Solution Structure Of The Monomeric Form Of A Mutant Unliganded Bovine Neurophysin, Minimized Average Structure" . . . . . 100.00 92 98.91 98.91 1.79e-54 . . . . 17561 1 4 no PDB 2HNU . "Crystal Structure Of A Dipeptide Complex Of Bovine Neurophysin-I" . . . . . 88.04 81 100.00 100.00 2.07e-47 . . . . 17561 1 5 no PDB 2HNV . "Crystal Structure Of A Dipeptide Complex Of The Q58v Mutant Of Bovine Neurophysin-I" . . . . . 88.04 81 98.77 98.77 1.81e-46 . . . . 17561 1 6 no PDB 2HNW . "Crystal Structure Of The F91stop Mutant Of Des1-6 Bovine Neurophysin-I, Unliganded State" . . . . . 86.96 80 100.00 100.00 1.02e-46 . . . . 17561 1 7 no PDB 2LBH . "Solution Structure Of The Dimeric Form Of A Unliganded Bovine Neurophysin, Minimized Average Structure" . . . . . 100.00 92 100.00 100.00 1.34e-55 . . . . 17561 1 8 no PDB 2LBN . "(Revised) Solution Structure Of The Monomeric Form Of A Mutant Unliganded Bovine Neurophysin, 20 Structures" . . . . . 100.00 92 98.91 98.91 1.79e-54 . . . . 17561 1 9 no DBJ BAK09299 . "oxytocin [Bos taurus]" . . . . . 90.22 85 100.00 100.00 1.51e-48 . . . . 17561 1 10 no DBJ BAK09301 . "oxytocin [Bos taurus]" . . . . . 90.22 85 100.00 100.00 1.51e-48 . . . . 17561 1 11 no DBJ BAK09303 . "oxytocin [Bos taurus]" . . . . . 90.22 85 100.00 100.00 1.51e-48 . . . . 17561 1 12 no EMBL CAA23448 . "polyprotein [Bos taurus]" . . . . . 100.00 111 100.00 100.00 9.89e-56 . . . . 17561 1 13 no EMBL CAA23450 . "neurophysin I [Bos taurus]" . . . . . 100.00 94 100.00 100.00 1.20e-55 . . . . 17561 1 14 no EMBL CAA25462 . "unnamed protein product [Bos taurus]" . . . . . 100.00 110 100.00 100.00 1.12e-55 . . . . 17561 1 15 no EMBL CAA38924 . "prepropeptide for oxytocin and neurophysin [Ovis aries]" . . . . . 100.00 125 97.83 98.91 1.70e-54 . . . . 17561 1 16 no EMBL CAJ81049 . "oxytocin-neurophysin 1 precursor [Bubalus bubalis]" . . . . . 100.00 125 98.91 98.91 3.35e-55 . . . . 17561 1 17 no GB AAA30680 . "oxytocin/neurophysin precursor [Bos taurus]" . . . . . 100.00 125 100.00 100.00 6.85e-56 . . . . 17561 1 18 no GB AAI41998 . "Oxytocin, prepropeptide [Bos taurus]" . . . . . 100.00 125 100.00 100.00 6.85e-56 . . . . 17561 1 19 no GB AFU54450 . "oxytocin-neurophysin 1 precursor, partial [Bubalus bubalis]" . . . . . 100.00 111 98.91 98.91 6.43e-55 . . . . 17561 1 20 no GB ELK04017 . "Vasopressin-neurophysin 2-copeptin [Pteropus alecto]" . . . . . 81.52 182 97.33 97.33 2.85e-41 . . . . 17561 1 21 no PRF 0904308A . "oxytocin neurophysin I precursor" . . . . . 100.00 111 100.00 100.00 9.89e-56 . . . . 17561 1 22 no PRF 1005247A . "oxytocin neurophysin I precursor" . . . . . 100.00 125 100.00 100.00 6.85e-56 . . . . 17561 1 23 no PRF 1307200B . "neurophysin VLDV" . . . . . 100.00 93 100.00 100.00 1.22e-55 . . . . 17561 1 24 no REF NP_789825 . "oxytocin-neurophysin 1 preproprotein [Bos taurus]" . . . . . 100.00 125 100.00 100.00 6.85e-56 . . . . 17561 1 25 no REF XP_006042791 . "PREDICTED: oxytocin-neurophysin 1 [Bubalus bubalis]" . . . . . 100.00 172 98.91 98.91 1.97e-55 . . . . 17561 1 26 no SP P01175 . "RecName: Full=Oxytocin-neurophysin 1; Short=OT-NPI; Contains: RecName: Full=Oxytocin; AltName: Full=Ocytocin; Contains: RecName" . . . . . 100.00 125 100.00 100.00 6.85e-56 . . . . 17561 1 27 no SP P13389 . "RecName: Full=Oxytocin-neurophysin 1; Short=OT-NPI; Contains: RecName: Full=Oxytocin; AltName: Full=Ocytocin; Contains: RecName" . . . . . 100.00 125 97.83 98.91 1.70e-54 . . . . 17561 1 28 no TPG DAA23107 . "TPA: oxytocin-neurophysin 1 preproprotein [Bos taurus]" . . . . . 100.00 125 100.00 100.00 6.85e-56 . . . . 17561 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 . ALA . 17561 1 2 . VAL . 17561 1 3 . LEU . 17561 1 4 . ASP . 17561 1 5 . LEU . 17561 1 6 . ASP . 17561 1 7 . VAL . 17561 1 8 . ARG . 17561 1 9 . THR . 17561 1 10 . CYS . 17561 1 11 . LEU . 17561 1 12 . PRO . 17561 1 13 . CYS . 17561 1 14 . GLY . 17561 1 15 . PRO . 17561 1 16 . GLY . 17561 1 17 . GLY . 17561 1 18 . LYS . 17561 1 19 . GLY . 17561 1 20 . ARG . 17561 1 21 . CYS . 17561 1 22 . PHE . 17561 1 23 . GLY . 17561 1 24 . PRO . 17561 1 25 . SER . 17561 1 26 . ILE . 17561 1 27 . CYS . 17561 1 28 . CYS . 17561 1 29 . GLY . 17561 1 30 . ASP . 17561 1 31 . GLU . 17561 1 32 . LEU . 17561 1 33 . GLY . 17561 1 34 . CYS . 17561 1 35 . PHE . 17561 1 36 . VAL . 17561 1 37 . GLY . 17561 1 38 . THR . 17561 1 39 . ALA . 17561 1 40 . GLU . 17561 1 41 . ALA . 17561 1 42 . LEU . 17561 1 43 . ARG . 17561 1 44 . CYS . 17561 1 45 . GLN . 17561 1 46 . GLU . 17561 1 47 . GLU . 17561 1 48 . ASN . 17561 1 49 . TYR . 17561 1 50 . LEU . 17561 1 51 . PRO . 17561 1 52 . SER . 17561 1 53 . PRO . 17561 1 54 . CYS . 17561 1 55 . GLN . 17561 1 56 . SER . 17561 1 57 . GLY . 17561 1 58 . GLN . 17561 1 59 . LYS . 17561 1 60 . PRO . 17561 1 61 . CYS . 17561 1 62 . GLY . 17561 1 63 . SER . 17561 1 64 . GLY . 17561 1 65 . GLY . 17561 1 66 . ARG . 17561 1 67 . CYS . 17561 1 68 . ALA . 17561 1 69 . ALA . 17561 1 70 . ALA . 17561 1 71 . GLY . 17561 1 72 . ILE . 17561 1 73 . CYS . 17561 1 74 . CYS . 17561 1 75 . SER . 17561 1 76 . PRO . 17561 1 77 . ASP . 17561 1 78 . GLY . 17561 1 79 . CYS . 17561 1 80 . HIS . 17561 1 81 . GLU . 17561 1 82 . ASP . 17561 1 83 . PRO . 17561 1 84 . ALA . 17561 1 85 . CYS . 17561 1 86 . ASP . 17561 1 87 . PRO . 17561 1 88 . GLU . 17561 1 89 . ALA . 17561 1 90 . ALA . 17561 1 91 . PHE . 17561 1 92 . SER . 17561 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 . ALA 1 1 17561 1 . VAL 2 2 17561 1 . LEU 3 3 17561 1 . ASP 4 4 17561 1 . LEU 5 5 17561 1 . ASP 6 6 17561 1 . VAL 7 7 17561 1 . ARG 8 8 17561 1 . THR 9 9 17561 1 . CYS 10 10 17561 1 . LEU 11 11 17561 1 . PRO 12 12 17561 1 . CYS 13 13 17561 1 . GLY 14 14 17561 1 . PRO 15 15 17561 1 . GLY 16 16 17561 1 . GLY 17 17 17561 1 . LYS 18 18 17561 1 . GLY 19 19 17561 1 . ARG 20 20 17561 1 . CYS 21 21 17561 1 . PHE 22 22 17561 1 . GLY 23 23 17561 1 . PRO 24 24 17561 1 . SER 25 25 17561 1 . ILE 26 26 17561 1 . CYS 27 27 17561 1 . CYS 28 28 17561 1 . GLY 29 29 17561 1 . ASP 30 30 17561 1 . GLU 31 31 17561 1 . LEU 32 32 17561 1 . GLY 33 33 17561 1 . CYS 34 34 17561 1 . PHE 35 35 17561 1 . VAL 36 36 17561 1 . GLY 37 37 17561 1 . THR 38 38 17561 1 . ALA 39 39 17561 1 . GLU 40 40 17561 1 . ALA 41 41 17561 1 . LEU 42 42 17561 1 . ARG 43 43 17561 1 . CYS 44 44 17561 1 . GLN 45 45 17561 1 . GLU 46 46 17561 1 . GLU 47 47 17561 1 . ASN 48 48 17561 1 . TYR 49 49 17561 1 . LEU 50 50 17561 1 . PRO 51 51 17561 1 . SER 52 52 17561 1 . PRO 53 53 17561 1 . CYS 54 54 17561 1 . GLN 55 55 17561 1 . SER 56 56 17561 1 . GLY 57 57 17561 1 . GLN 58 58 17561 1 . LYS 59 59 17561 1 . PRO 60 60 17561 1 . CYS 61 61 17561 1 . GLY 62 62 17561 1 . SER 63 63 17561 1 . GLY 64 64 17561 1 . GLY 65 65 17561 1 . ARG 66 66 17561 1 . CYS 67 67 17561 1 . ALA 68 68 17561 1 . ALA 69 69 17561 1 . ALA 70 70 17561 1 . GLY 71 71 17561 1 . ILE 72 72 17561 1 . CYS 73 73 17561 1 . CYS 74 74 17561 1 . SER 75 75 17561 1 . PRO 76 76 17561 1 . ASP 77 77 17561 1 . GLY 78 78 17561 1 . CYS 79 79 17561 1 . HIS 80 80 17561 1 . GLU 81 81 17561 1 . ASP 82 82 17561 1 . PRO 83 83 17561 1 . ALA 84 84 17561 1 . CYS 85 85 17561 1 . ASP 86 86 17561 1 . PRO 87 87 17561 1 . GLU 88 88 17561 1 . ALA 89 89 17561 1 . ALA 90 90 17561 1 . PHE 91 91 17561 1 . SER 92 92 17561 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17561 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Neurophysin . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 17561 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 17561 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Neurophysin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Bl21(de)plys S' . . . . . . . . . . . . . . . T7 . . . . . . 17561 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17561 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM BNP1 of bovine neurophysin I' _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 'Bovine Neurophysin' '[U-100% 15N]' . . 1 $Neurophysin . . 1 . . mM . . . . 17561 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17561 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1.0 mM BNP1 of bovine neurophysin I' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 2.7 . pH 17561 1 pressure 1 . atm 17561 1 temperature 308 . K 17561 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17561 _Sample_condition_list.ID 2 _Sample_condition_list.Details '1.0 mM BNP1 of bovine neurophysin I' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 2.7 . pH 17561 2 pressure 1 . atm 17561 2 temperature 298 . K 17561 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 17561 _Sample_condition_list.ID 3 _Sample_condition_list.Details '1.0 mM BNP1 of bovine neurophysin I for RDC measurement' 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' 10.15 . mM 17561 3 pH 2.7 . pH 17561 3 pressure 1 . atm 17561 3 temperature 314 . K 17561 3 stop_ save_ ############################ # Computer software used # ############################ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 17561 _Software.ID 1 _Software.Name CNSSOLVE _Software.Version 1.0 _Software.Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17561 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17561 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17561 _Software.ID 2 _Software.Name ARIA _Software.Version 1.0 _Software.Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17561 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17561 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17561 _Software.ID 3 _Software.Name NMRPipe _Software.Version 1.0 _Software.Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17561 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17561 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17561 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17561 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17561 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17561 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17561 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17561 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17561 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details 'The structures are based on NOE-derived distance constraints, hydrogen bond distance restraints, torsion angle constraints, JNHA coupling constants, CA/CB and 1H chemical shift restraints and the pairing of the protein's 7 disulfides and RDC data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17561 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17561 6 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 17561 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17561 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17561 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17561 _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 INOVA . 600 . . . 17561 1 2 spectrometer_2 Bruker Avance . 600 . . . 17561 1 3 spectrometer_3 Bruker Avance . 700 . . . 17561 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 17561 _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' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17561 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17561 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17561 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17561 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17561 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17561 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17561 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17561 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17561 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17561 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 3 $sample_conditions_3 . . . . . . . . . . . . . . . . . . . . . 17561 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17561 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 17561 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 external direct 1.0 . . . . . . . . . 17561 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 17561 1 N 15 DSS nitrogen . . . . ppm 0 external direct 1.0 . . . . . . . . . 17561 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17561 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_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' . . . 17561 1 5 '3D HNCACB' . . . 17561 1 8 '3D 1H-15N NOESY' . . . 17561 1 9 '3D 1H-13C NOESY' . . . 17561 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 VAL H H 1 8.442 . . . . . . A 2 VAL H . 17561 1 2 . 1 1 2 2 VAL HA H 1 4.106 . . . . . . A 2 VAL HA . 17561 1 3 . 1 1 2 2 VAL HB H 1 2.007 . . . . . . A 2 VAL HB . 17561 1 4 . 1 1 2 2 VAL HG11 H 1 0.897 . . . . . . A 2 VAL HG11 . 17561 1 5 . 1 1 2 2 VAL HG12 H 1 0.897 . . . . . . A 2 VAL HG11 . 17561 1 6 . 1 1 2 2 VAL HG13 H 1 0.897 . . . . . . A 2 VAL HG11 . 17561 1 7 . 1 1 2 2 VAL N N 15 119.953 . . . . . . A 2 VAL N . 17561 1 8 . 1 1 3 3 LEU H H 1 8.338 . . . . . . A 3 LEU H . 17561 1 9 . 1 1 3 3 LEU HA H 1 4.342 . . . . . . A 3 LEU HA . 17561 1 10 . 1 1 3 3 LEU HB2 H 1 1.563 . . . . . . A 3 LEU HB2 . 17561 1 11 . 1 1 3 3 LEU HD11 H 1 0.893 . . . . . . A 3 LEU HD11 . 17561 1 12 . 1 1 3 3 LEU HD12 H 1 0.893 . . . . . . A 3 LEU HD12 . 17561 1 13 . 1 1 3 3 LEU HD13 H 1 0.893 . . . . . . A 3 LEU HD13 . 17561 1 14 . 1 1 3 3 LEU HD21 H 1 0.884 . . . . . . A 3 LEU HD21 . 17561 1 15 . 1 1 3 3 LEU HD22 H 1 0.884 . . . . . . A 3 LEU HD22 . 17561 1 16 . 1 1 3 3 LEU HD23 H 1 0.884 . . . . . . A 3 LEU HD23 . 17561 1 17 . 1 1 3 3 LEU CA C 13 54.718 . . . . . . A 3 LEU CA . 17561 1 18 . 1 1 3 3 LEU N N 15 126.484 . . . . . . A 3 LEU N . 17561 1 19 . 1 1 4 4 ASP H H 1 8.432 . . . . . . A 4 ASP H . 17561 1 20 . 1 1 4 4 ASP HA H 1 4.674 . . . . . . A 4 ASP HA . 17561 1 21 . 1 1 4 4 ASP HB2 H 1 2.884 . . . . . . A 4 ASP HB2 . 17561 1 22 . 1 1 4 4 ASP HB3 H 1 2.750 . . . . . . A 4 ASP HB3 . 17561 1 23 . 1 1 4 4 ASP N N 15 120.807 . . . . . . A 4 ASP N . 17561 1 24 . 1 1 5 5 LEU H H 1 8.179 . . . . . . A 5 LEU H . 17561 1 25 . 1 1 5 5 LEU HA H 1 4.274 . . . . . . A 5 LEU HA . 17561 1 26 . 1 1 5 5 LEU HB2 H 1 1.564 . . . . . . A 5 LEU HB2 . 17561 1 27 . 1 1 5 5 LEU HD11 H 1 0.882 . . . . . . A 5 LEU HD11 . 17561 1 28 . 1 1 5 5 LEU HD12 H 1 0.882 . . . . . . A 5 LEU HD11 . 17561 1 29 . 1 1 5 5 LEU HD13 H 1 0.882 . . . . . . A 5 LEU HD11 . 17561 1 30 . 1 1 5 5 LEU HD21 H 1 0.840 . . . . . . A 5 LEU HD21 . 17561 1 31 . 1 1 5 5 LEU HD22 H 1 0.840 . . . . . . A 5 LEU HD21 . 17561 1 32 . 1 1 5 5 LEU HD23 H 1 0.840 . . . . . . A 5 LEU HD21 . 17561 1 33 . 1 1 5 5 LEU CA C 13 55.112 . . . . . . A 5 LEU CA . 17561 1 34 . 1 1 5 5 LEU N N 15 122.910 . . . . . . A 5 LEU N . 17561 1 35 . 1 1 6 6 ASP H H 1 8.333 . . . . . . A 6 ASP H . 17561 1 36 . 1 1 6 6 ASP HA H 1 4.661 . . . . . . A 6 ASP HA . 17561 1 37 . 1 1 6 6 ASP HB2 H 1 2.880 . . . . . . A 6 ASP HB2 . 17561 1 38 . 1 1 6 6 ASP HB3 H 1 2.762 . . . . . . A 6 ASP HB3 . 17561 1 39 . 1 1 6 6 ASP CA C 13 53.020 . . . . . . A 6 ASP CA . 17561 1 40 . 1 1 6 6 ASP N N 15 119.562 . . . . . . A 6 ASP N . 17561 1 41 . 1 1 7 7 VAL H H 1 7.874 . . . . . . A 7 VAL H . 17561 1 42 . 1 1 7 7 VAL HA H 1 4.107 . . . . . . A 7 VAL HA . 17561 1 43 . 1 1 7 7 VAL HB H 1 2.068 . . . . . . A 7 VAL HB . 17561 1 44 . 1 1 7 7 VAL HG11 H 1 0.879 . . . . . . A 7 VAL HG11 . 17561 1 45 . 1 1 7 7 VAL HG12 H 1 0.879 . . . . . . A 7 VAL HG11 . 17561 1 46 . 1 1 7 7 VAL HG13 H 1 0.879 . . . . . . A 7 VAL HG11 . 17561 1 47 . 1 1 7 7 VAL CA C 13 62.187 . . . . . . A 7 VAL CA . 17561 1 48 . 1 1 7 7 VAL N N 15 119.724 . . . . . . A 7 VAL N . 17561 1 49 . 1 1 8 8 ARG H H 1 8.306 . . . . . . A 8 ARG H . 17561 1 50 . 1 1 8 8 ARG HA H 1 4.378 . . . . . . A 8 ARG HA . 17561 1 51 . 1 1 8 8 ARG HB2 H 1 1.730 . . . . . . A 8 ARG HB2 . 17561 1 52 . 1 1 8 8 ARG N N 15 123.721 . . . . . . A 8 ARG N . 17561 1 53 . 1 1 9 9 THR H H 1 7.832 . . . . . . A 9 THR H . 17561 1 54 . 1 1 9 9 THR HA H 1 5.012 . . . . . . A 9 THR HA . 17561 1 55 . 1 1 9 9 THR HB H 1 4.097 . . . . . . A 9 THR HB . 17561 1 56 . 1 1 9 9 THR N N 15 113.933 . . . . . . A 9 THR N . 17561 1 57 . 1 1 10 10 CYS H H 1 7.997 . . . . . . A 10 CYS H . 17561 1 58 . 1 1 10 10 CYS HA H 1 4.564 . . . . . . A 10 CYS HA . 17561 1 59 . 1 1 10 10 CYS HB2 H 1 2.952 . . . . . . A 10 CYS HB2 . 17561 1 60 . 1 1 10 10 CYS HB3 H 1 2.878 . . . . . . A 10 CYS HB3 . 17561 1 61 . 1 1 10 10 CYS N N 15 127.524 . . . . . . A 10 CYS N . 17561 1 62 . 1 1 12 12 PRO HA H 1 4.694 . . . . . . A 12 PRO HA . 17561 1 63 . 1 1 12 12 PRO HB2 H 1 2.410 . . . . . . A 12 PRO HB2 . 17561 1 64 . 1 1 13 13 CYS H H 1 7.876 . . . . . . A 13 CYS H . 17561 1 65 . 1 1 13 13 CYS HA H 1 4.776 . . . . . . A 13 CYS HA . 17561 1 66 . 1 1 13 13 CYS HB2 H 1 3.210 . . . . . . A 13 CYS HB2 . 17561 1 67 . 1 1 13 13 CYS HB3 H 1 3.102 . . . . . . A 13 CYS HB3 . 17561 1 68 . 1 1 13 13 CYS CA C 13 54.530 . . . . . . A 13 CYS CA . 17561 1 69 . 1 1 13 13 CYS N N 15 113.375 . . . . . . A 13 CYS N . 17561 1 70 . 1 1 14 14 GLY H H 1 8.463 . . . . . . A 14 GLY H . 17561 1 71 . 1 1 14 14 GLY HA2 H 1 3.694 . . . . . . A 14 GLY HA2 . 17561 1 72 . 1 1 14 14 GLY HA3 H 1 3.474 . . . . . . A 14 GLY HA3 . 17561 1 73 . 1 1 14 14 GLY CA C 13 44.483 . . . . . . A 14 GLY CA . 17561 1 74 . 1 1 14 14 GLY N N 15 105.870 . . . . . . A 14 GLY N . 17561 1 75 . 1 1 15 15 PRO HA H 1 4.311 . . . . . . A 15 PRO HA . 17561 1 76 . 1 1 15 15 PRO HB2 H 1 2.291 . . . . . . A 15 PRO HB2 . 17561 1 77 . 1 1 15 15 PRO HG2 H 1 2.086 . . . . . . A 15 PRO HG2 . 17561 1 78 . 1 1 15 15 PRO HG3 H 1 1.985 . . . . . . A 15 PRO HG3 . 17561 1 79 . 1 1 15 15 PRO CA C 13 63.790 . . . . . . A 15 PRO CA . 17561 1 80 . 1 1 16 16 GLY H H 1 9.098 . . . . . . A 16 GLY H . 17561 1 81 . 1 1 16 16 GLY HA2 H 1 3.910 . . . . . . A 16 GLY HA2 . 17561 1 82 . 1 1 16 16 GLY HA3 H 1 4.319 . . . . . . A 16 GLY HA3 . 17561 1 83 . 1 1 16 16 GLY CA C 13 46.160 . . . . . . A 16 GLY CA . 17561 1 84 . 1 1 16 16 GLY N N 15 114.862 . . . . . . A 16 GLY N . 17561 1 85 . 1 1 17 17 GLY H H 1 8.376 . . . . . . A 17 GLY H . 17561 1 86 . 1 1 17 17 GLY HA2 H 1 3.907 . . . . . . A 17 GLY HA2 . 17561 1 87 . 1 1 17 17 GLY HA3 H 1 3.380 . . . . . . A 17 GLY HA3 . 17561 1 88 . 1 1 17 17 GLY N N 15 108.315 . . . . . . A 17 GLY N . 17561 1 89 . 1 1 18 18 LYS H H 1 7.297 . . . . . . A 18 LYS H . 17561 1 90 . 1 1 18 18 LYS HA H 1 4.294 . . . . . . A 18 LYS HA . 17561 1 91 . 1 1 18 18 LYS HB2 H 1 2.069 . . . . . . A 18 LYS HB2 . 17561 1 92 . 1 1 18 18 LYS HB3 H 1 1.806 . . . . . . A 18 LYS HB3 . 17561 1 93 . 1 1 18 18 LYS HG2 H 1 1.565 . . . . . . A 18 LYS HG2 . 17561 1 94 . 1 1 18 18 LYS HG3 H 1 1.451 . . . . . . A 18 LYS HG3 . 17561 1 95 . 1 1 18 18 LYS CA C 13 56.611 . . . . . . A 18 LYS CA . 17561 1 96 . 1 1 18 18 LYS N N 15 114.685 . . . . . . A 18 LYS N . 17561 1 97 . 1 1 19 19 GLY H H 1 8.461 . . . . . . A 19 GLY H . 17561 1 98 . 1 1 19 19 GLY HA2 H 1 4.547 . . . . . . A 19 GLY HA2 . 17561 1 99 . 1 1 19 19 GLY HA3 H 1 3.293 . . . . . . A 19 GLY HA3 . 17561 1 100 . 1 1 19 19 GLY N N 15 107.967 . . . . . . A 19 GLY N . 17561 1 101 . 1 1 20 20 ARG H H 1 9.152 . . . . . . A 20 ARG H . 17561 1 102 . 1 1 20 20 ARG HA H 1 5.196 . . . . . . A 20 ARG HA . 17561 1 103 . 1 1 20 20 ARG HB2 H 1 1.765 . . . . . . A 20 ARG HB2 . 17561 1 104 . 1 1 20 20 ARG HB3 H 1 1.615 . . . . . . A 20 ARG HB3 . 17561 1 105 . 1 1 20 20 ARG HG2 H 1 1.741 . . . . . . A 20 ARG HG2 . 17561 1 106 . 1 1 20 20 ARG HG3 H 1 1.497 . . . . . . A 20 ARG HG3 . 17561 1 107 . 1 1 20 20 ARG CA C 13 53.774 . . . . . . A 20 ARG CA . 17561 1 108 . 1 1 20 20 ARG N N 15 118.900 . . . . . . A 20 ARG N . 17561 1 109 . 1 1 21 21 CYS H H 1 8.635 . . . . . . A 21 CYS H . 17561 1 110 . 1 1 21 21 CYS HA H 1 5.452 . . . . . . A 21 CYS HA . 17561 1 111 . 1 1 21 21 CYS HB2 H 1 3.087 . . . . . . A 21 CYS HB2 . 17561 1 112 . 1 1 21 21 CYS HB3 H 1 2.982 . . . . . . A 21 CYS HB3 . 17561 1 113 . 1 1 21 21 CYS CA C 13 56.183 . . . . . . A 21 CYS CA . 17561 1 114 . 1 1 21 21 CYS N N 15 121.367 . . . . . . A 21 CYS N . 17561 1 115 . 1 1 22 22 PHE H H 1 8.951 . . . . . . A 22 PHE H . 17561 1 116 . 1 1 22 22 PHE HA H 1 4.325 . . . . . . A 22 PHE HA . 17561 1 117 . 1 1 22 22 PHE HB2 H 1 3.056 . . . . . . A 22 PHE HB2 . 17561 1 118 . 1 1 22 22 PHE HB3 H 1 2.909 . . . . . . A 22 PHE HB3 . 17561 1 119 . 1 1 22 22 PHE HD1 H 1 7.228 . . . . . . A 22 PHE HD1 . 17561 1 120 . 1 1 22 22 PHE N N 15 125.732 . . . . . . A 22 PHE N . 17561 1 121 . 1 1 23 23 GLY H H 1 8.065 . . . . . . A 23 GLY H . 17561 1 122 . 1 1 23 23 GLY N N 15 106.765 . . . . . . A 23 GLY N . 17561 1 123 . 1 1 26 26 ILE H H 1 7.223 . . . . . . A 26 ILE H . 17561 1 124 . 1 1 26 26 ILE HA H 1 5.097 . . . . . . A 26 ILE HA . 17561 1 125 . 1 1 26 26 ILE HG13 H 1 0.808 . . . . . . A 26 ILE HG13 . 17561 1 126 . 1 1 26 26 ILE HG21 H 1 1.202 . . . . . . A 26 ILE HG23 . 17561 1 127 . 1 1 26 26 ILE HG22 H 1 1.202 . . . . . . A 26 ILE HG23 . 17561 1 128 . 1 1 26 26 ILE HG23 H 1 1.202 . . . . . . A 26 ILE HG23 . 17561 1 129 . 1 1 26 26 ILE HD11 H 1 0.733 . . . . . . A 26 ILE HD13 . 17561 1 130 . 1 1 26 26 ILE HD12 H 1 0.733 . . . . . . A 26 ILE HD13 . 17561 1 131 . 1 1 26 26 ILE HD13 H 1 0.733 . . . . . . A 26 ILE HD13 . 17561 1 132 . 1 1 26 26 ILE N N 15 117.706 . . . . . . A 26 ILE N . 17561 1 133 . 1 1 27 27 CYS H H 1 9.001 . . . . . . A 27 CYS H . 17561 1 134 . 1 1 27 27 CYS HA H 1 5.574 . . . . . . A 27 CYS HA . 17561 1 135 . 1 1 27 27 CYS HB2 H 1 3.019 . . . . . . A 27 CYS HB2 . 17561 1 136 . 1 1 27 27 CYS HB3 H 1 2.928 . . . . . . A 27 CYS HB3 . 17561 1 137 . 1 1 27 27 CYS CA C 13 54.156 . . . . . . A 27 CYS CA . 17561 1 138 . 1 1 27 27 CYS N N 15 128.036 . . . . . . A 27 CYS N . 17561 1 139 . 1 1 28 28 CYS H H 1 9.305 . . . . . . A 28 CYS H . 17561 1 140 . 1 1 28 28 CYS HA H 1 6.386 . . . . . . A 28 CYS HA . 17561 1 141 . 1 1 28 28 CYS HB2 H 1 3.034 . . . . . . A 28 CYS HB2 . 17561 1 142 . 1 1 28 28 CYS HB3 H 1 2.546 . . . . . . A 28 CYS HB3 . 17561 1 143 . 1 1 28 28 CYS CA C 13 55.390 . . . . . . A 28 CYS CA . 17561 1 144 . 1 1 28 28 CYS N N 15 124.199 . . . . . . A 28 CYS N . 17561 1 145 . 1 1 29 29 GLY H H 1 8.743 . . . . . . A 29 GLY H . 17561 1 146 . 1 1 29 29 GLY HA2 H 1 4.975 . . . . . . A 29 GLY HA2 . 17561 1 147 . 1 1 29 29 GLY HA3 H 1 3.970 . . . . . . A 29 GLY HA3 . 17561 1 148 . 1 1 29 29 GLY CA C 13 45.204 . . . . . . A 29 GLY CA . 17561 1 149 . 1 1 29 29 GLY N N 15 106.830 . . . . . . A 29 GLY N . 17561 1 150 . 1 1 30 30 ASP H H 1 9.198 . . . . . . A 30 ASP H . 17561 1 151 . 1 1 30 30 ASP HA H 1 4.414 . . . . . . A 30 ASP HA . 17561 1 152 . 1 1 30 30 ASP HB2 H 1 2.898 . . . . . . A 30 ASP HB2 . 17561 1 153 . 1 1 30 30 ASP HB3 H 1 2.897 . . . . . . A 30 ASP HB3 . 17561 1 154 . 1 1 30 30 ASP CA C 13 57.216 . . . . . . A 30 ASP CA . 17561 1 155 . 1 1 30 30 ASP N N 15 122.916 . . . . . . A 30 ASP N . 17561 1 156 . 1 1 31 31 GLU H H 1 8.913 . . . . . . A 31 GLU H . 17561 1 157 . 1 1 31 31 GLU HA H 1 4.524 . . . . . . A 31 GLU HA . 17561 1 158 . 1 1 31 31 GLU HB2 H 1 1.969 . . . . . . A 31 GLU HB2 . 17561 1 159 . 1 1 31 31 GLU HB3 H 1 2.465 . . . . . . A 31 GLU HB3 . 17561 1 160 . 1 1 31 31 GLU HG2 H 1 2.897 . . . . . . A 31 GLU HG2 . 17561 1 161 . 1 1 31 31 GLU HG3 H 1 2.321 . . . . . . A 31 GLU HG3 . 17561 1 162 . 1 1 31 31 GLU CA C 13 55.716 . . . . . . A 31 GLU CA . 17561 1 163 . 1 1 31 31 GLU N N 15 115.253 . . . . . . A 31 GLU N . 17561 1 164 . 1 1 32 32 LEU H H 1 7.368 . . . . . . A 32 LEU H . 17561 1 165 . 1 1 32 32 LEU HA H 1 4.410 . . . . . . A 32 LEU HA . 17561 1 166 . 1 1 32 32 LEU HB2 H 1 1.673 . . . . . . A 32 LEU HB2 . 17561 1 167 . 1 1 32 32 LEU HB3 H 1 1.602 . . . . . . A 32 LEU HB3 . 17561 1 168 . 1 1 32 32 LEU HG H 1 1.212 . . . . . . A 32 LEU HG . 17561 1 169 . 1 1 32 32 LEU HD11 H 1 0.963 . . . . . . A 32 LEU HD11 . 17561 1 170 . 1 1 32 32 LEU HD12 H 1 0.963 . . . . . . A 32 LEU HD11 . 17561 1 171 . 1 1 32 32 LEU HD13 H 1 0.963 . . . . . . A 32 LEU HD11 . 17561 1 172 . 1 1 32 32 LEU CA C 13 55.510 . . . . . . A 32 LEU CA . 17561 1 173 . 1 1 32 32 LEU N N 15 118.176 . . . . . . A 32 LEU N . 17561 1 174 . 1 1 33 33 GLY H H 1 7.861 . . . . . . A 33 GLY H . 17561 1 175 . 1 1 33 33 GLY HA2 H 1 3.963 . . . . . . A 33 GLY HA2 . 17561 1 176 . 1 1 33 33 GLY HA3 H 1 3.300 . . . . . . A 33 GLY HA3 . 17561 1 177 . 1 1 33 33 GLY N N 15 103.849 . . . . . . A 33 GLY N . 17561 1 178 . 1 1 34 34 CYS H H 1 8.281 . . . . . . A 34 CYS H . 17561 1 179 . 1 1 34 34 CYS HA H 1 5.338 . . . . . . A 34 CYS HA . 17561 1 180 . 1 1 34 34 CYS HB2 H 1 2.503 . . . . . . A 34 CYS HB2 . 17561 1 181 . 1 1 34 34 CYS HB3 H 1 2.319 . . . . . . A 34 CYS HB3 . 17561 1 182 . 1 1 34 34 CYS CA C 13 55.713 . . . . . . A 34 CYS CA . 17561 1 183 . 1 1 34 34 CYS N N 15 114.254 . . . . . . A 34 CYS N . 17561 1 184 . 1 1 35 35 PHE H H 1 9.491 . . . . . . A 35 PHE H . 17561 1 185 . 1 1 35 35 PHE HA H 1 4.432 . . . . . . A 35 PHE HA . 17561 1 186 . 1 1 35 35 PHE HB2 H 1 2.753 . . . . . . A 35 PHE HB2 . 17561 1 187 . 1 1 35 35 PHE N N 15 123.432 . . . . . . A 35 PHE N . 17561 1 188 . 1 1 36 36 VAL H H 1 8.963 . . . . . . A 36 VAL H . 17561 1 189 . 1 1 36 36 VAL HA H 1 4.739 . . . . . . A 36 VAL HA . 17561 1 190 . 1 1 36 36 VAL HB H 1 1.801 . . . . . . A 36 VAL HB . 17561 1 191 . 1 1 36 36 VAL HG11 H 1 0.390 . . . . . . A 36 VAL HG11 . 17561 1 192 . 1 1 36 36 VAL HG12 H 1 0.390 . . . . . . A 36 VAL HG11 . 17561 1 193 . 1 1 36 36 VAL HG13 H 1 0.390 . . . . . . A 36 VAL HG11 . 17561 1 194 . 1 1 36 36 VAL HG21 H 1 0.515 . . . . . . A 36 VAL HG21 . 17561 1 195 . 1 1 36 36 VAL HG22 H 1 0.515 . . . . . . A 36 VAL HG21 . 17561 1 196 . 1 1 36 36 VAL HG23 H 1 0.515 . . . . . . A 36 VAL HG21 . 17561 1 197 . 1 1 36 36 VAL CA C 13 60.241 . . . . . . A 36 VAL CA . 17561 1 198 . 1 1 36 36 VAL N N 15 124.365 . . . . . . A 36 VAL N . 17561 1 199 . 1 1 37 37 GLY H H 1 9.335 . . . . . . A 37 GLY H . 17561 1 200 . 1 1 37 37 GLY HA2 H 1 3.935 . . . . . . A 37 GLY HA2 . 17561 1 201 . 1 1 37 37 GLY HA3 H 1 3.792 . . . . . . A 37 GLY HA3 . 17561 1 202 . 1 1 37 37 GLY N N 15 111.046 . . . . . . A 37 GLY N . 17561 1 203 . 1 1 38 38 THR HA H 1 4.496 . . . . . . A 38 THR HA . 17561 1 204 . 1 1 38 38 THR HG1 H 1 4.988 . . . . . . A 38 THR HG1 . 17561 1 205 . 1 1 39 39 ALA H H 1 9.122 . . . . . . A 39 ALA H . 17561 1 206 . 1 1 39 39 ALA HA H 1 4.000 . . . . . . A 39 ALA HA . 17561 1 207 . 1 1 39 39 ALA HB1 H 1 1.388 . . . . . . A 39 ALA HB3 . 17561 1 208 . 1 1 39 39 ALA HB2 H 1 1.388 . . . . . . A 39 ALA HB3 . 17561 1 209 . 1 1 39 39 ALA HB3 H 1 1.388 . . . . . . A 39 ALA HB3 . 17561 1 210 . 1 1 39 39 ALA N N 15 124.085 . . . . . . A 39 ALA N . 17561 1 211 . 1 1 40 40 GLU H H 1 8.545 . . . . . . A 40 GLU H . 17561 1 212 . 1 1 40 40 GLU HA H 1 3.852 . . . . . . A 40 GLU HA . 17561 1 213 . 1 1 40 40 GLU HB2 H 1 2.082 . . . . . . A 40 GLU HB2 . 17561 1 214 . 1 1 40 40 GLU CA C 13 58.996 . . . . . . A 40 GLU CA . 17561 1 215 . 1 1 40 40 GLU N N 15 114.678 . . . . . . A 40 GLU N . 17561 1 216 . 1 1 41 41 ALA H H 1 7.480 . . . . . . A 41 ALA H . 17561 1 217 . 1 1 41 41 ALA HA H 1 4.325 . . . . . . A 41 ALA HA . 17561 1 218 . 1 1 41 41 ALA HB1 H 1 1.204 . . . . . . A 41 ALA HB3 . 17561 1 219 . 1 1 41 41 ALA HB2 H 1 1.204 . . . . . . A 41 ALA HB3 . 17561 1 220 . 1 1 41 41 ALA HB3 H 1 1.204 . . . . . . A 41 ALA HB3 . 17561 1 221 . 1 1 41 41 ALA CA C 13 51.115 . . . . . . A 41 ALA CA . 17561 1 222 . 1 1 41 41 ALA N N 15 117.857 . . . . . . A 41 ALA N . 17561 1 223 . 1 1 42 42 LEU H H 1 7.370 . . . . . . A 42 LEU H . 17561 1 224 . 1 1 42 42 LEU HA H 1 4.124 . . . . . . A 42 LEU HA . 17561 1 225 . 1 1 42 42 LEU HB2 H 1 1.766 . . . . . . A 42 LEU HB2 . 17561 1 226 . 1 1 42 42 LEU HB3 H 1 1.671 . . . . . . A 42 LEU HB3 . 17561 1 227 . 1 1 42 42 LEU HG H 1 1.532 . . . . . . A 42 LEU HG . 17561 1 228 . 1 1 42 42 LEU HD11 H 1 0.891 . . . . . . A 42 LEU HD11 . 17561 1 229 . 1 1 42 42 LEU HD12 H 1 0.891 . . . . . . A 42 LEU HD11 . 17561 1 230 . 1 1 42 42 LEU HD13 H 1 0.891 . . . . . . A 42 LEU HD11 . 17561 1 231 . 1 1 42 42 LEU HD21 H 1 0.820 . . . . . . A 42 LEU HD21 . 17561 1 232 . 1 1 42 42 LEU HD22 H 1 0.820 . . . . . . A 42 LEU HD21 . 17561 1 233 . 1 1 42 42 LEU HD23 H 1 0.820 . . . . . . A 42 LEU HD21 . 17561 1 234 . 1 1 42 42 LEU CA C 13 58.279 . . . . . . A 42 LEU CA . 17561 1 235 . 1 1 42 42 LEU N N 15 121.363 . . . . . . A 42 LEU N . 17561 1 236 . 1 1 43 43 ARG H H 1 8.195 . . . . . . A 43 ARG H . 17561 1 237 . 1 1 43 43 ARG HA H 1 4.389 . . . . . . A 43 ARG HA . 17561 1 238 . 1 1 43 43 ARG HB2 H 1 1.857 . . . . . . A 43 ARG HB2 . 17561 1 239 . 1 1 43 43 ARG HB3 H 1 1.857 . . . . . . A 43 ARG HB2 . 17561 1 240 . 1 1 43 43 ARG HG2 H 1 1.854 . . . . . . A 43 ARG HG2 . 17561 1 241 . 1 1 43 43 ARG HG3 H 1 1.854 . . . . . . A 43 ARG HG2 . 17561 1 242 . 1 1 43 43 ARG N N 15 116.955 . . . . . . A 43 ARG N . 17561 1 243 . 1 1 44 44 CYS H H 1 7.849 . . . . . . A 44 CYS H . 17561 1 244 . 1 1 44 44 CYS HA H 1 4.654 . . . . . . A 44 CYS HA . 17561 1 245 . 1 1 44 44 CYS HB2 H 1 3.026 . . . . . . A 44 CYS HB2 . 17561 1 246 . 1 1 44 44 CYS CA C 13 53.835 . . . . . . A 44 CYS CA . 17561 1 247 . 1 1 44 44 CYS N N 15 115.418 . . . . . . A 44 CYS N . 17561 1 248 . 1 1 45 45 GLN H H 1 7.707 . . . . . . A 45 GLN H . 17561 1 249 . 1 1 45 45 GLN HA H 1 4.283 . . . . . . A 45 GLN HA . 17561 1 250 . 1 1 45 45 GLN HB2 H 1 2.475 . . . . . . A 45 GLN HB2 . 17561 1 251 . 1 1 45 45 GLN HB3 H 1 2.182 . . . . . . A 45 GLN HB3 . 17561 1 252 . 1 1 45 45 GLN CA C 13 58.110 . . . . . . A 45 GLN CA . 17561 1 253 . 1 1 45 45 GLN N N 15 121.018 . . . . . . A 45 GLN N . 17561 1 254 . 1 1 46 46 GLU H H 1 8.113 . . . . . . A 46 GLU H . 17561 1 255 . 1 1 46 46 GLU HA H 1 4.647 . . . . . . A 46 GLU HA . 17561 1 256 . 1 1 46 46 GLU HB2 H 1 1.960 . . . . . . A 46 GLU HB2 . 17561 1 257 . 1 1 46 46 GLU HG2 H 1 2.246 . . . . . . A 46 GLU HG2 . 17561 1 258 . 1 1 46 46 GLU N N 15 119.005 . . . . . . A 46 GLU N . 17561 1 259 . 1 1 47 47 GLU H H 1 8.062 . . . . . . A 47 GLU H . 17561 1 260 . 1 1 47 47 GLU HA H 1 4.316 . . . . . . A 47 GLU HA . 17561 1 261 . 1 1 47 47 GLU HB2 H 1 2.062 . . . . . . A 47 GLU HB2 . 17561 1 262 . 1 1 47 47 GLU HB3 H 1 1.881 . . . . . . A 47 GLU HB3 . 17561 1 263 . 1 1 47 47 GLU HG2 H 1 2.392 . . . . . . A 47 GLU HG2 . 17561 1 264 . 1 1 47 47 GLU N N 15 118.930 . . . . . . A 47 GLU N . 17561 1 265 . 1 1 48 48 ASN H H 1 8.082 . . . . . . A 48 ASN H . 17561 1 266 . 1 1 48 48 ASN HA H 1 4.591 . . . . . . A 48 ASN HA . 17561 1 267 . 1 1 48 48 ASN HB2 H 1 2.642 . . . . . . A 48 ASN HB2 . 17561 1 268 . 1 1 48 48 ASN N N 15 118.062 . . . . . . A 48 ASN N . 17561 1 269 . 1 1 49 49 TYR H H 1 7.924 . . . . . . A 49 TYR H . 17561 1 270 . 1 1 49 49 TYR HA H 1 4.284 . . . . . . A 49 TYR HA . 17561 1 271 . 1 1 49 49 TYR HB2 H 1 3.065 . . . . . . A 49 TYR HB2 . 17561 1 272 . 1 1 49 49 TYR HB3 H 1 2.878 . . . . . . A 49 TYR HB3 . 17561 1 273 . 1 1 49 49 TYR N N 15 118.701 . . . . . . A 49 TYR N . 17561 1 274 . 1 1 50 50 LEU H H 1 8.370 . . . . . . A 50 LEU H . 17561 1 275 . 1 1 50 50 LEU HA H 1 4.375 . . . . . . A 50 LEU HA . 17561 1 276 . 1 1 50 50 LEU HD11 H 1 0.882 . . . . . . A 50 LEU HD11 . 17561 1 277 . 1 1 50 50 LEU HD12 H 1 0.882 . . . . . . A 50 LEU HD11 . 17561 1 278 . 1 1 50 50 LEU HD13 H 1 0.882 . . . . . . A 50 LEU HD11 . 17561 1 279 . 1 1 50 50 LEU N N 15 124.100 . . . . . . A 50 LEU N . 17561 1 280 . 1 1 53 53 PRO HA H 1 4.392 . . . . . . A 53 PRO HA . 17561 1 281 . 1 1 53 53 PRO CA C 13 62.840 . . . . . . A 53 PRO CA . 17561 1 282 . 1 1 54 54 CYS H H 1 8.340 . . . . . . A 54 CYS H . 17561 1 283 . 1 1 54 54 CYS HA H 1 4.500 . . . . . . A 54 CYS HA . 17561 1 284 . 1 1 54 54 CYS HB2 H 1 3.912 . . . . . . A 54 CYS HB2 . 17561 1 285 . 1 1 54 54 CYS HB3 H 1 3.792 . . . . . . A 54 CYS HB3 . 17561 1 286 . 1 1 54 54 CYS CA C 13 55.740 . . . . . . A 54 CYS CA . 17561 1 287 . 1 1 54 54 CYS N N 15 115.447 . . . . . . A 54 CYS N . 17561 1 288 . 1 1 55 55 GLN H H 1 8.094 . . . . . . A 55 GLN H . 17561 1 289 . 1 1 55 55 GLN HA H 1 4.401 . . . . . . A 55 GLN HA . 17561 1 290 . 1 1 55 55 GLN HB2 H 1 2.241 . . . . . . A 55 GLN HB2 . 17561 1 291 . 1 1 55 55 GLN HB3 H 1 1.950 . . . . . . A 55 GLN HB3 . 17561 1 292 . 1 1 55 55 GLN HG2 H 1 2.906 . . . . . . A 55 GLN HG2 . 17561 1 293 . 1 1 55 55 GLN N N 15 119.279 . . . . . . A 55 GLN N . 17561 1 294 . 1 1 56 56 SER H H 1 8.206 . . . . . . A 56 SER H . 17561 1 295 . 1 1 56 56 SER HA H 1 4.309 . . . . . . A 56 SER HA . 17561 1 296 . 1 1 56 56 SER HB2 H 1 3.740 . . . . . . A 56 SER HB2 . 17561 1 297 . 1 1 56 56 SER CA C 13 58.731 . . . . . . A 56 SER CA . 17561 1 298 . 1 1 56 56 SER N N 15 117.341 . . . . . . A 56 SER N . 17561 1 299 . 1 1 57 57 GLY H H 1 8.543 . . . . . . A 57 GLY H . 17561 1 300 . 1 1 57 57 GLY HA2 H 1 3.968 . . . . . . A 57 GLY HA2 . 17561 1 301 . 1 1 57 57 GLY N N 15 110.549 . . . . . . A 57 GLY N . 17561 1 302 . 1 1 58 58 GLN H H 1 7.901 . . . . . . A 58 GLN H . 17561 1 303 . 1 1 58 58 GLN HA H 1 4.434 . . . . . . A 58 GLN HA . 17561 1 304 . 1 1 58 58 GLN HB2 H 1 1.963 . . . . . . A 58 GLN HB2 . 17561 1 305 . 1 1 58 58 GLN HG2 H 1 2.437 . . . . . . A 58 GLN HG2 . 17561 1 306 . 1 1 58 58 GLN CA C 13 55.137 . . . . . . A 58 GLN CA . 17561 1 307 . 1 1 58 58 GLN N N 15 118.916 . . . . . . A 58 GLN N . 17561 1 308 . 1 1 59 59 LYS H H 1 8.647 . . . . . . A 59 LYS H . 17561 1 309 . 1 1 59 59 LYS N N 15 124.484 . . . . . . A 59 LYS N . 17561 1 310 . 1 1 60 60 PRO HA H 1 4.850 . . . . . . A 60 PRO HA . 17561 1 311 . 1 1 60 60 PRO HB2 H 1 2.323 . . . . . . A 60 PRO HB2 . 17561 1 312 . 1 1 60 60 PRO HB3 H 1 1.946 . . . . . . A 60 PRO HB3 . 17561 1 313 . 1 1 60 60 PRO HG2 H 1 1.764 . . . . . . A 60 PRO HG2 . 17561 1 314 . 1 1 61 61 CYS H H 1 7.871 . . . . . . A 61 CYS H . 17561 1 315 . 1 1 61 61 CYS HA H 1 4.674 . . . . . . A 61 CYS HA . 17561 1 316 . 1 1 61 61 CYS HB2 H 1 3.067 . . . . . . A 61 CYS HB2 . 17561 1 317 . 1 1 61 61 CYS N N 15 116.009 . . . . . . A 61 CYS N . 17561 1 318 . 1 1 62 62 GLY H H 1 8.657 . . . . . . A 62 GLY H . 17561 1 319 . 1 1 62 62 GLY HA2 H 1 3.811 . . . . . . A 62 GLY HA2 . 17561 1 320 . 1 1 62 62 GLY CA C 13 46.360 . . . . . . A 62 GLY CA . 17561 1 321 . 1 1 62 62 GLY N N 15 108.670 . . . . . . A 62 GLY N . 17561 1 322 . 1 1 63 63 SER H H 1 8.643 . . . . . . A 63 SER H . 17561 1 323 . 1 1 63 63 SER HA H 1 4.594 . . . . . . A 63 SER HA . 17561 1 324 . 1 1 63 63 SER HB2 H 1 3.742 . . . . . . A 63 SER HB2 . 17561 1 325 . 1 1 63 63 SER N N 15 119.174 . . . . . . A 63 SER N . 17561 1 326 . 1 1 64 64 GLY H H 1 8.478 . . . . . . A 64 GLY H . 17561 1 327 . 1 1 64 64 GLY HA2 H 1 4.102 . . . . . . A 64 GLY HA2 . 17561 1 328 . 1 1 64 64 GLY HA3 H 1 3.891 . . . . . . A 64 GLY HA3 . 17561 1 329 . 1 1 64 64 GLY N N 15 111.360 . . . . . . A 64 GLY N . 17561 1 330 . 1 1 65 65 GLY H H 1 7.806 . . . . . . A 65 GLY H . 17561 1 331 . 1 1 65 65 GLY HA2 H 1 4.590 . . . . . . A 65 GLY HA2 . 17561 1 332 . 1 1 65 65 GLY HA3 H 1 3.575 . . . . . . A 65 GLY HA3 . 17561 1 333 . 1 1 65 65 GLY N N 15 107.292 . . . . . . A 65 GLY N . 17561 1 334 . 1 1 66 66 ARG H H 1 8.692 . . . . . . A 66 ARG H . 17561 1 335 . 1 1 66 66 ARG HA H 1 5.119 . . . . . . A 66 ARG HA . 17561 1 336 . 1 1 66 66 ARG HB2 H 1 1.767 . . . . . . A 66 ARG HB2 . 17561 1 337 . 1 1 66 66 ARG HG2 H 1 1.629 . . . . . . A 66 ARG HG2 . 17561 1 338 . 1 1 66 66 ARG HG3 H 1 1.635 . . . . . . A 66 ARG HG3 . 17561 1 339 . 1 1 66 66 ARG HD2 H 1 3.074 . . . . . . A 66 ARG HD2 . 17561 1 340 . 1 1 66 66 ARG HE H 1 7.201 . . . . . . A 66 ARG HE . 17561 1 341 . 1 1 66 66 ARG N N 15 118.630 . . . . . . A 66 ARG N . 17561 1 342 . 1 1 67 67 CYS H H 1 9.063 . . . . . . A 67 CYS H . 17561 1 343 . 1 1 67 67 CYS HA H 1 5.024 . . . . . . A 67 CYS HA . 17561 1 344 . 1 1 67 67 CYS HB2 H 1 3.026 . . . . . . A 67 CYS HB2 . 17561 1 345 . 1 1 67 67 CYS HB3 H 1 2.848 . . . . . . A 67 CYS HB3 . 17561 1 346 . 1 1 67 67 CYS CA C 13 54.094 . . . . . . A 67 CYS CA . 17561 1 347 . 1 1 67 67 CYS N N 15 122.470 . . . . . . A 67 CYS N . 17561 1 348 . 1 1 68 68 ALA H H 1 8.122 . . . . . . A 68 ALA H . 17561 1 349 . 1 1 68 68 ALA HB1 H 1 0.353 . . . . . . A 68 ALA HB3 . 17561 1 350 . 1 1 68 68 ALA HB2 H 1 0.353 . . . . . . A 68 ALA HB3 . 17561 1 351 . 1 1 68 68 ALA HB3 H 1 0.353 . . . . . . A 68 ALA HB3 . 17561 1 352 . 1 1 68 68 ALA N N 15 130.546 . . . . . . A 68 ALA N . 17561 1 353 . 1 1 69 69 ALA H H 1 7.906 . . . . . . A 69 ALA H . 17561 1 354 . 1 1 69 69 ALA HA H 1 4.250 . . . . . . A 69 ALA HA . 17561 1 355 . 1 1 69 69 ALA HB1 H 1 1.221 . . . . . . A 69 ALA HB3 . 17561 1 356 . 1 1 69 69 ALA HB2 H 1 1.221 . . . . . . A 69 ALA HB3 . 17561 1 357 . 1 1 69 69 ALA HB3 H 1 1.221 . . . . . . A 69 ALA HB3 . 17561 1 358 . 1 1 69 69 ALA N N 15 115.769 . . . . . . A 69 ALA N . 17561 1 359 . 1 1 70 70 ALA H H 1 8.424 . . . . . . A 70 ALA H . 17561 1 360 . 1 1 70 70 ALA HA H 1 4.023 . . . . . . A 70 ALA HA . 17561 1 361 . 1 1 70 70 ALA HB1 H 1 1.324 . . . . . . A 70 ALA HB3 . 17561 1 362 . 1 1 70 70 ALA HB2 H 1 1.324 . . . . . . A 70 ALA HB3 . 17561 1 363 . 1 1 70 70 ALA HB3 H 1 1.324 . . . . . . A 70 ALA HB3 . 17561 1 364 . 1 1 70 70 ALA CA C 13 54.537 . . . . . . A 70 ALA CA . 17561 1 365 . 1 1 70 70 ALA N N 15 123.333 . . . . . . A 70 ALA N . 17561 1 366 . 1 1 71 71 GLY H H 1 7.865 . . . . . . A 71 GLY H . 17561 1 367 . 1 1 71 71 GLY HA2 H 1 4.047 . . . . . . A 71 GLY HA2 . 17561 1 368 . 1 1 71 71 GLY HA3 H 1 3.591 . . . . . . A 71 GLY HA3 . 17561 1 369 . 1 1 71 71 GLY CA C 13 46.109 . . . . . . A 71 GLY CA . 17561 1 370 . 1 1 71 71 GLY N N 15 111.852 . . . . . . A 71 GLY N . 17561 1 371 . 1 1 72 72 ILE H H 1 7.914 . . . . . . A 72 ILE H . 17561 1 372 . 1 1 72 72 ILE HA H 1 4.267 . . . . . . A 72 ILE HA . 17561 1 373 . 1 1 72 72 ILE HG12 H 1 1.289 . . . . . . A 72 ILE HG12 . 17561 1 374 . 1 1 72 72 ILE HD11 H 1 0.515 . . . . . . A 72 ILE HD11 . 17561 1 375 . 1 1 72 72 ILE HD12 H 1 0.515 . . . . . . A 72 ILE HD11 . 17561 1 376 . 1 1 72 72 ILE HD13 H 1 0.515 . . . . . . A 72 ILE HD11 . 17561 1 377 . 1 1 72 72 ILE CA C 13 60.493 . . . . . . A 72 ILE CA . 17561 1 378 . 1 1 72 72 ILE N N 15 120.846 . . . . . . A 72 ILE N . 17561 1 379 . 1 1 73 73 CYS H H 1 8.693 . . . . . . A 73 CYS H . 17561 1 380 . 1 1 73 73 CYS HA H 1 5.008 . . . . . . A 73 CYS HA . 17561 1 381 . 1 1 73 73 CYS HB2 H 1 2.931 . . . . . . A 73 CYS HB2 . 17561 1 382 . 1 1 73 73 CYS HB3 H 1 2.195 . . . . . . A 73 CYS HB3 . 17561 1 383 . 1 1 73 73 CYS CA C 13 54.156 . . . . . . A 73 CYS CA . 17561 1 384 . 1 1 73 73 CYS N N 15 126.726 . . . . . . A 73 CYS N . 17561 1 385 . 1 1 74 74 CYS H H 1 9.055 . . . . . . A 74 CYS H . 17561 1 386 . 1 1 74 74 CYS HA H 1 5.828 . . . . . . A 74 CYS HA . 17561 1 387 . 1 1 74 74 CYS HB2 H 1 3.076 . . . . . . A 74 CYS HB2 . 17561 1 388 . 1 1 74 74 CYS HB3 H 1 2.390 . . . . . . A 74 CYS HB3 . 17561 1 389 . 1 1 74 74 CYS CA C 13 56.300 . . . . . . A 74 CYS CA . 17561 1 390 . 1 1 74 74 CYS N N 15 124.970 . . . . . . A 74 CYS N . 17561 1 391 . 1 1 76 76 PRO HA H 1 4.381 . . . . . . A 76 PRO HA . 17561 1 392 . 1 1 77 77 ASP H H 1 7.724 . . . . . . A 77 ASP H . 17561 1 393 . 1 1 77 77 ASP HA H 1 4.725 . . . . . . A 77 ASP HA . 17561 1 394 . 1 1 77 77 ASP HB2 H 1 2.841 . . . . . . A 77 ASP HB2 . 17561 1 395 . 1 1 77 77 ASP HB3 H 1 2.688 . . . . . . A 77 ASP HB3 . 17561 1 396 . 1 1 77 77 ASP CA C 13 51.934 . . . . . . A 77 ASP CA . 17561 1 397 . 1 1 77 77 ASP N N 15 109.490 . . . . . . A 77 ASP N . 17561 1 398 . 1 1 78 78 GLY H H 1 7.702 . . . . . . A 78 GLY H . 17561 1 399 . 1 1 78 78 GLY HA2 H 1 4.470 . . . . . . A 78 GLY HA2 . 17561 1 400 . 1 1 78 78 GLY HA3 H 1 3.788 . . . . . . A 78 GLY HA3 . 17561 1 401 . 1 1 78 78 GLY CA C 13 46.470 . . . . . . A 78 GLY CA . 17561 1 402 . 1 1 78 78 GLY N N 15 108.039 . . . . . . A 78 GLY N . 17561 1 403 . 1 1 79 79 CYS H H 1 8.109 . . . . . . A 79 CYS H . 17561 1 404 . 1 1 79 79 CYS HA H 1 5.807 . . . . . . A 79 CYS HA . 17561 1 405 . 1 1 79 79 CYS HB2 H 1 2.897 . . . . . . A 79 CYS HB2 . 17561 1 406 . 1 1 79 79 CYS HB3 H 1 2.674 . . . . . . A 79 CYS HB3 . 17561 1 407 . 1 1 79 79 CYS N N 15 115.752 . . . . . . A 79 CYS N . 17561 1 408 . 1 1 80 80 HIS H H 1 9.168 . . . . . . A 80 HIS H . 17561 1 409 . 1 1 80 80 HIS HA H 1 5.229 . . . . . . A 80 HIS HA . 17561 1 410 . 1 1 80 80 HIS N N 15 116.971 . . . . . . A 80 HIS N . 17561 1 411 . 1 1 81 81 GLU H H 1 8.904 . . . . . . A 81 GLU H . 17561 1 412 . 1 1 81 81 GLU HA H 1 4.539 . . . . . . A 81 GLU HA . 17561 1 413 . 1 1 81 81 GLU HB2 H 1 2.128 . . . . . . A 81 GLU HB2 . 17561 1 414 . 1 1 81 81 GLU HB3 H 1 1.988 . . . . . . A 81 GLU HB3 . 17561 1 415 . 1 1 81 81 GLU HG2 H 1 3.266 . . . . . . A 81 GLU HG2 . 17561 1 416 . 1 1 81 81 GLU HG3 H 1 3.138 . . . . . . A 81 GLU HG3 . 17561 1 417 . 1 1 81 81 GLU CA C 13 53.170 . . . . . . A 81 GLU CA . 17561 1 418 . 1 1 81 81 GLU N N 15 123.037 . . . . . . A 81 GLU N . 17561 1 419 . 1 1 82 82 ASP H H 1 8.449 . . . . . . A 82 ASP H . 17561 1 420 . 1 1 82 82 ASP HA H 1 5.002 . . . . . . A 82 ASP HA . 17561 1 421 . 1 1 82 82 ASP HB2 H 1 2.542 . . . . . . A 82 ASP HB2 . 17561 1 422 . 1 1 82 82 ASP HB3 H 1 2.310 . . . . . . A 82 ASP HB3 . 17561 1 423 . 1 1 82 82 ASP CA C 13 50.917 . . . . . . A 82 ASP CA . 17561 1 424 . 1 1 82 82 ASP N N 15 122.374 . . . . . . A 82 ASP N . 17561 1 425 . 1 1 83 83 PRO HA H 1 4.366 . . . . . . A 83 PRO HA . 17561 1 426 . 1 1 83 83 PRO HB2 H 1 2.036 . . . . . . A 83 PRO HB2 . 17561 1 427 . 1 1 83 83 PRO HB3 H 1 2.370 . . . . . . A 83 PRO HB3 . 17561 1 428 . 1 1 83 83 PRO CA C 13 63.510 . . . . . . A 83 PRO CA . 17561 1 429 . 1 1 84 84 ALA H H 1 8.375 . . . . . . A 84 ALA H . 17561 1 430 . 1 1 84 84 ALA HA H 1 4.202 . . . . . . A 84 ALA HA . 17561 1 431 . 1 1 84 84 ALA HB1 H 1 1.355 . . . . . . A 84 ALA HB3 . 17561 1 432 . 1 1 84 84 ALA HB2 H 1 1.355 . . . . . . A 84 ALA HB3 . 17561 1 433 . 1 1 84 84 ALA HB3 H 1 1.355 . . . . . . A 84 ALA HB3 . 17561 1 434 . 1 1 84 84 ALA N N 15 121.488 . . . . . . A 84 ALA N . 17561 1 435 . 1 1 85 85 CYS H H 1 7.908 . . . . . . A 85 CYS H . 17561 1 436 . 1 1 85 85 CYS HA H 1 4.999 . . . . . . A 85 CYS HA . 17561 1 437 . 1 1 85 85 CYS HB2 H 1 3.472 . . . . . . A 85 CYS HB2 . 17561 1 438 . 1 1 85 85 CYS HB3 H 1 2.453 . . . . . . A 85 CYS HB3 . 17561 1 439 . 1 1 85 85 CYS CA C 13 51.590 . . . . . . A 85 CYS CA . 17561 1 440 . 1 1 85 85 CYS N N 15 112.382 . . . . . . A 85 CYS N . 17561 1 441 . 1 1 86 86 ASP H H 1 8.065 . . . . . . A 86 ASP H . 17561 1 442 . 1 1 86 86 ASP HA H 1 4.797 . . . . . . A 86 ASP HA . 17561 1 443 . 1 1 86 86 ASP HB2 H 1 2.974 . . . . . . A 86 ASP HB2 . 17561 1 444 . 1 1 86 86 ASP HB3 H 1 2.928 . . . . . . A 86 ASP HB3 . 17561 1 445 . 1 1 86 86 ASP N N 15 125.174 . . . . . . A 86 ASP N . 17561 1 446 . 1 1 87 87 PRO HA H 1 4.398 . . . . . . A 87 PRO HA . 17561 1 447 . 1 1 88 88 GLU H H 1 8.359 . . . . . . A 88 GLU H . 17561 1 448 . 1 1 88 88 GLU HA H 1 4.129 . . . . . . A 88 GLU HA . 17561 1 449 . 1 1 88 88 GLU HB2 H 1 2.048 . . . . . . A 88 GLU HB2 . 17561 1 450 . 1 1 88 88 GLU HB3 H 1 1.949 . . . . . . A 88 GLU HB3 . 17561 1 451 . 1 1 88 88 GLU HG2 H 1 2.442 . . . . . . A 88 GLU HG2 . 17561 1 452 . 1 1 88 88 GLU HG3 H 1 2.290 . . . . . . A 88 GLU HG3 . 17561 1 453 . 1 1 88 88 GLU CA C 13 56.190 . . . . . . A 88 GLU CA . 17561 1 454 . 1 1 88 88 GLU N N 15 119.924 . . . . . . A 88 GLU N . 17561 1 455 . 1 1 89 89 ALA H H 1 8.118 . . . . . . A 89 ALA H . 17561 1 456 . 1 1 89 89 ALA HA H 1 4.186 . . . . . . A 89 ALA HA . 17561 1 457 . 1 1 89 89 ALA HB1 H 1 1.322 . . . . . . A 89 ALA HB3 . 17561 1 458 . 1 1 89 89 ALA HB2 H 1 1.322 . . . . . . A 89 ALA HB3 . 17561 1 459 . 1 1 89 89 ALA HB3 H 1 1.322 . . . . . . A 89 ALA HB3 . 17561 1 460 . 1 1 89 89 ALA N N 15 123.437 . . . . . . A 89 ALA N . 17561 1 461 . 1 1 90 90 ALA H H 1 8.045 . . . . . . A 90 ALA H . 17561 1 462 . 1 1 90 90 ALA HA H 1 4.215 . . . . . . A 90 ALA HA . 17561 1 463 . 1 1 90 90 ALA HB1 H 1 1.317 . . . . . . A 90 ALA HB3 . 17561 1 464 . 1 1 90 90 ALA HB2 H 1 1.317 . . . . . . A 90 ALA HB3 . 17561 1 465 . 1 1 90 90 ALA HB3 H 1 1.317 . . . . . . A 90 ALA HB3 . 17561 1 466 . 1 1 90 90 ALA N N 15 121.662 . . . . . . A 90 ALA N . 17561 1 467 . 1 1 91 91 PHE H H 1 7.769 . . . . . . A 91 PHE H . 17561 1 468 . 1 1 91 91 PHE HA H 1 4.746 . . . . . . A 91 PHE HA . 17561 1 469 . 1 1 91 91 PHE HB2 H 1 3.023 . . . . . . A 91 PHE HB2 . 17561 1 470 . 1 1 91 91 PHE CA C 13 56.840 . . . . . . A 91 PHE CA . 17561 1 471 . 1 1 91 91 PHE N N 15 117.228 . . . . . . A 91 PHE N . 17561 1 472 . 1 1 92 92 SER H H 1 7.920 . . . . . . A 92 SER H . 17561 1 473 . 1 1 92 92 SER HB2 H 1 3.856 . . . . . . A 92 SER HB2 . 17561 1 474 . 1 1 92 92 SER HB3 H 1 3.788 . . . . . . A 92 SER HB3 . 17561 1 475 . 1 1 92 92 SER N N 15 118.919 . . . . . . A 92 SER N . 17561 1 476 . 2 1 2 2 VAL H H 1 8.442 . . . . . . . 102 VAL HN . 17561 1 477 . 2 1 2 2 VAL HA H 1 4.106 . . . . . . . 102 VAL HA . 17561 1 478 . 2 1 2 2 VAL HB H 1 2.007 . . . . . . . 102 VAL HB . 17561 1 479 . 2 1 2 2 VAL HG11 H 1 0.897 . . . . . . . 102 VAL HG11 . 17561 1 480 . 2 1 2 2 VAL HG12 H 1 0.897 . . . . . . . 102 VAL HG11 . 17561 1 481 . 2 1 2 2 VAL HG13 H 1 0.897 . . . . . . . 102 VAL HG11 . 17561 1 482 . 2 1 2 2 VAL N N 15 119.953 . . . . . . . 102 VAL N . 17561 1 483 . 2 1 3 3 LEU H H 1 8.425 . . . . . . . 103 LEU HN . 17561 1 484 . 2 1 3 3 LEU HA H 1 4.342 . . . . . . . 103 LEU HA . 17561 1 485 . 2 1 3 3 LEU HB2 H 1 1.563 . . . . . . . 103 LEU HB1 . 17561 1 486 . 2 1 3 3 LEU HD11 H 1 0.893 . . . . . . . 103 LEU HD1 . 17561 1 487 . 2 1 3 3 LEU HD12 H 1 0.893 . . . . . . . 103 LEU HD1 . 17561 1 488 . 2 1 3 3 LEU HD13 H 1 0.893 . . . . . . . 103 LEU HD1 . 17561 1 489 . 2 1 3 3 LEU HD21 H 1 0.884 . . . . . . . 103 LEU HD2 . 17561 1 490 . 2 1 3 3 LEU HD22 H 1 0.884 . . . . . . . 103 LEU HD2 . 17561 1 491 . 2 1 3 3 LEU HD23 H 1 0.884 . . . . . . . 103 LEU HD2 . 17561 1 492 . 2 1 3 3 LEU CA C 13 54.718 . . . . . . . 103 LEU CA . 17561 1 493 . 2 1 3 3 LEU N N 15 127.619 . . . . . . . 103 LEU N . 17561 1 494 . 2 1 4 4 ASP H H 1 8.497 . . . . . . . 104 ASP HN . 17561 1 495 . 2 1 4 4 ASP HA H 1 4.674 . . . . . . . 104 ASP HA . 17561 1 496 . 2 1 4 4 ASP HB2 H 1 2.884 . . . . . . . 104 ASP HB2 . 17561 1 497 . 2 1 4 4 ASP HB3 H 1 2.750 . . . . . . . 104 ASP HB3 . 17561 1 498 . 2 1 4 4 ASP N N 15 121.049 . . . . . . . 104 ASP N . 17561 1 499 . 2 1 5 5 LEU H H 1 8.179 . . . . . . . 105 LEU HN . 17561 1 500 . 2 1 5 5 LEU HA H 1 4.274 . . . . . . . 105 LEU HA . 17561 1 501 . 2 1 5 5 LEU HB2 H 1 1.564 . . . . . . . 105 LEU HB1 . 17561 1 502 . 2 1 5 5 LEU HD11 H 1 0.882 . . . . . . . 105 LEU HD11 . 17561 1 503 . 2 1 5 5 LEU HD12 H 1 0.882 . . . . . . . 105 LEU HD11 . 17561 1 504 . 2 1 5 5 LEU HD13 H 1 0.882 . . . . . . . 105 LEU HD11 . 17561 1 505 . 2 1 5 5 LEU HD21 H 1 0.840 . . . . . . . 105 LEU HD21 . 17561 1 506 . 2 1 5 5 LEU HD22 H 1 0.840 . . . . . . . 105 LEU HD21 . 17561 1 507 . 2 1 5 5 LEU HD23 H 1 0.840 . . . . . . . 105 LEU HD21 . 17561 1 508 . 2 1 5 5 LEU CA C 13 55.112 . . . . . . . 105 LEU CA . 17561 1 509 . 2 1 5 5 LEU N N 15 122.910 . . . . . . . 105 LEU N . 17561 1 510 . 2 1 6 6 ASP H H 1 8.333 . . . . . . . 106 ASP HN . 17561 1 511 . 2 1 6 6 ASP HA H 1 4.661 . . . . . . . 106 ASP HA . 17561 1 512 . 2 1 6 6 ASP HB2 H 1 2.880 . . . . . . . 106 ASP HB2 . 17561 1 513 . 2 1 6 6 ASP HB3 H 1 2.762 . . . . . . . 106 ASP HB3 . 17561 1 514 . 2 1 6 6 ASP CA C 13 53.020 . . . . . . . 106 ASP CA . 17561 1 515 . 2 1 6 6 ASP N N 15 119.562 . . . . . . . 106 ASP N . 17561 1 516 . 2 1 7 7 VAL H H 1 8.016 . . . . . . . 107 VAL HN . 17561 1 517 . 2 1 7 7 VAL HA H 1 4.107 . . . . . . . 107 VAL HA . 17561 1 518 . 2 1 7 7 VAL HB H 1 2.068 . . . . . . . 107 VAL HB . 17561 1 519 . 2 1 7 7 VAL HG11 H 1 0.879 . . . . . . . 107 VAL HG11 . 17561 1 520 . 2 1 7 7 VAL HG12 H 1 0.879 . . . . . . . 107 VAL HG11 . 17561 1 521 . 2 1 7 7 VAL HG13 H 1 0.879 . . . . . . . 107 VAL HG11 . 17561 1 522 . 2 1 7 7 VAL CA C 13 62.187 . . . . . . . 107 VAL CA . 17561 1 523 . 2 1 7 7 VAL N N 15 120.456 . . . . . . . 107 VAL N . 17561 1 524 . 2 1 8 8 ARG H H 1 8.360 . . . . . . . 108 ARG HN . 17561 1 525 . 2 1 8 8 ARG HA H 1 4.372 . . . . . . . 108 ARG HA . 17561 1 526 . 2 1 8 8 ARG HB2 H 1 1.730 . . . . . . . 108 ARG HB2 . 17561 1 527 . 2 1 8 8 ARG N N 15 124.100 . . . . . . . 108 ARG N . 17561 1 528 . 2 1 9 9 THR H H 1 7.832 . . . . . . . 109 THR HN . 17561 1 529 . 2 1 9 9 THR HA H 1 5.012 . . . . . . . 109 THR HA . 17561 1 530 . 2 1 9 9 THR HB H 1 4.097 . . . . . . . 109 THR HB . 17561 1 531 . 2 1 9 9 THR N N 15 113.933 . . . . . . . 109 THR N . 17561 1 532 . 2 1 10 10 CYS H H 1 7.997 . . . . . . . 110 CYS HN . 17561 1 533 . 2 1 10 10 CYS HA H 1 4.564 . . . . . . . 110 CYS HA . 17561 1 534 . 2 1 10 10 CYS HB2 H 1 2.952 . . . . . . . 110 CYS HB2 . 17561 1 535 . 2 1 10 10 CYS HB3 H 1 2.878 . . . . . . . 110 CYS HB3 . 17561 1 536 . 2 1 10 10 CYS N N 15 127.524 . . . . . . . 110 CYS N . 17561 1 537 . 2 1 12 12 PRO HA H 1 4.694 . . . . . . . 112 PRO HA . 17561 1 538 . 2 1 12 12 PRO HB2 H 1 2.410 . . . . . . . 112 PRO HB2 . 17561 1 539 . 2 1 13 13 CYS H H 1 7.876 . . . . . . . 113 CYS HN . 17561 1 540 . 2 1 13 13 CYS HA H 1 4.776 . . . . . . . 113 CYS HA . 17561 1 541 . 2 1 13 13 CYS HB2 H 1 3.210 . . . . . . . 113 CYS HB2 . 17561 1 542 . 2 1 13 13 CYS HB3 H 1 3.102 . . . . . . . 113 CYS HB3 . 17561 1 543 . 2 1 13 13 CYS CA C 13 54.530 . . . . . . . 113 CYS CA . 17561 1 544 . 2 1 13 13 CYS N N 15 113.375 . . . . . . . 113 CYS N . 17561 1 545 . 2 1 14 14 GLY H H 1 8.463 . . . . . . . 114 GLY HN . 17561 1 546 . 2 1 14 14 GLY HA2 H 1 3.694 . . . . . . . 114 GLY HA2 . 17561 1 547 . 2 1 14 14 GLY HA3 H 1 3.474 . . . . . . . 114 GLY HA3 . 17561 1 548 . 2 1 14 14 GLY CA C 13 44.483 . . . . . . . 114 GLY CA . 17561 1 549 . 2 1 14 14 GLY N N 15 105.870 . . . . . . . 114 GLY N . 17561 1 550 . 2 1 15 15 PRO HA H 1 4.311 . . . . . . . 115 PRO HA . 17561 1 551 . 2 1 15 15 PRO HB2 H 1 2.291 . . . . . . . 115 PRO HB2 . 17561 1 552 . 2 1 15 15 PRO HG2 H 1 2.086 . . . . . . . 115 PRO HG2 . 17561 1 553 . 2 1 15 15 PRO HG3 H 1 1.985 . . . . . . . 115 PRO HG3 . 17561 1 554 . 2 1 15 15 PRO CA C 13 63.790 . . . . . . . 115 PRO CA . 17561 1 555 . 2 1 16 16 GLY H H 1 9.098 . . . . . . . 116 GLY HN . 17561 1 556 . 2 1 16 16 GLY HA2 H 1 3.910 . . . . . . . 116 GLY HA2 . 17561 1 557 . 2 1 16 16 GLY HA3 H 1 4.319 . . . . . . . 116 GLY HA3 . 17561 1 558 . 2 1 16 16 GLY CA C 13 46.160 . . . . . . . 116 GLY CA . 17561 1 559 . 2 1 16 16 GLY N N 15 114.862 . . . . . . . 116 GLY N . 17561 1 560 . 2 1 17 17 GLY H H 1 8.376 . . . . . . . 117 GLY HN . 17561 1 561 . 2 1 17 17 GLY HA2 H 1 3.907 . . . . . . . 117 GLY HA2 . 17561 1 562 . 2 1 17 17 GLY HA3 H 1 3.380 . . . . . . . 117 GLY HA3 . 17561 1 563 . 2 1 17 17 GLY N N 15 108.315 . . . . . . . 117 GLY N . 17561 1 564 . 2 1 18 18 LYS H H 1 7.297 . . . . . . . 118 LYS HN . 17561 1 565 . 2 1 18 18 LYS HA H 1 4.294 . . . . . . . 118 LYS HA . 17561 1 566 . 2 1 18 18 LYS HB2 H 1 2.069 . . . . . . . 118 LYS HB2 . 17561 1 567 . 2 1 18 18 LYS HB3 H 1 1.806 . . . . . . . 118 LYS HB3 . 17561 1 568 . 2 1 18 18 LYS HG2 H 1 1.565 . . . . . . . 118 LYS HG2 . 17561 1 569 . 2 1 18 18 LYS HG3 H 1 1.451 . . . . . . . 118 LYS HG3 . 17561 1 570 . 2 1 18 18 LYS CA C 13 56.611 . . . . . . . 118 LYS CA . 17561 1 571 . 2 1 18 18 LYS N N 15 114.685 . . . . . . . 118 LYS N . 17561 1 572 . 2 1 19 19 GLY H H 1 8.461 . . . . . . . 119 GLY HN . 17561 1 573 . 2 1 19 19 GLY HA2 H 1 4.547 . . . . . . . 119 GLY HA2 . 17561 1 574 . 2 1 19 19 GLY HA3 H 1 3.293 . . . . . . . 119 GLY HA3 . 17561 1 575 . 2 1 19 19 GLY N N 15 107.967 . . . . . . . 119 GLY N . 17561 1 576 . 2 1 20 20 ARG H H 1 9.152 . . . . . . . 120 ARG HN . 17561 1 577 . 2 1 20 20 ARG HA H 1 5.196 . . . . . . . 120 ARG HA . 17561 1 578 . 2 1 20 20 ARG HB2 H 1 1.765 . . . . . . . 120 ARG HB2 . 17561 1 579 . 2 1 20 20 ARG HB3 H 1 1.615 . . . . . . . 120 ARG HB3 . 17561 1 580 . 2 1 20 20 ARG HG2 H 1 1.741 . . . . . . . 120 ARG HG2 . 17561 1 581 . 2 1 20 20 ARG HG3 H 1 1.497 . . . . . . . 120 ARG HG3 . 17561 1 582 . 2 1 20 20 ARG CA C 13 53.774 . . . . . . . 120 ARG CA . 17561 1 583 . 2 1 20 20 ARG N N 15 118.900 . . . . . . . 120 ARG N . 17561 1 584 . 2 1 21 21 CYS H H 1 8.635 . . . . . . . 121 CYS HN . 17561 1 585 . 2 1 21 21 CYS HA H 1 5.452 . . . . . . . 121 CYS HA . 17561 1 586 . 2 1 21 21 CYS HB2 H 1 3.087 . . . . . . . 121 CYS HB2 . 17561 1 587 . 2 1 21 21 CYS HB3 H 1 2.982 . . . . . . . 121 CYS HB3 . 17561 1 588 . 2 1 21 21 CYS CA C 13 56.183 . . . . . . . 121 CYS CA . 17561 1 589 . 2 1 21 21 CYS N N 15 121.367 . . . . . . . 121 CYS N . 17561 1 590 . 2 1 22 22 PHE H H 1 8.914 . . . . . . . 122 PHE HN . 17561 1 591 . 2 1 22 22 PHE HA H 1 4.325 . . . . . . . 122 PHE HA . 17561 1 592 . 2 1 22 22 PHE HB2 H 1 3.056 . . . . . . . 122 PHE HB2 . 17561 1 593 . 2 1 22 22 PHE HB3 H 1 2.909 . . . . . . . 122 PHE HB3 . 17561 1 594 . 2 1 22 22 PHE HD1 H 1 7.228 . . . . . . . 122 PHE HD1 . 17561 1 595 . 2 1 22 22 PHE N N 15 125.453 . . . . . . . 122 PHE N . 17561 1 596 . 2 1 23 23 GLY H H 1 8.065 . . . . . . . 123 GLY HN . 17561 1 597 . 2 1 23 23 GLY N N 15 106.765 . . . . . . . 123 GLY N . 17561 1 598 . 2 1 26 26 ILE H H 1 7.223 . . . . . . . 126 ILE HN . 17561 1 599 . 2 1 26 26 ILE HA H 1 5.097 . . . . . . . 126 ILE HA . 17561 1 600 . 2 1 26 26 ILE HG13 H 1 0.808 . . . . . . . 126 ILE HG13 . 17561 1 601 . 2 1 26 26 ILE HG21 H 1 1.202 . . . . . . . 126 ILE HG23 . 17561 1 602 . 2 1 26 26 ILE HG22 H 1 1.202 . . . . . . . 126 ILE HG23 . 17561 1 603 . 2 1 26 26 ILE HG23 H 1 1.202 . . . . . . . 126 ILE HG23 . 17561 1 604 . 2 1 26 26 ILE HD11 H 1 0.733 . . . . . . . 126 ILE HD13 . 17561 1 605 . 2 1 26 26 ILE HD12 H 1 0.733 . . . . . . . 126 ILE HD13 . 17561 1 606 . 2 1 26 26 ILE HD13 H 1 0.733 . . . . . . . 126 ILE HD13 . 17561 1 607 . 2 1 26 26 ILE N N 15 117.706 . . . . . . . 126 ILE N . 17561 1 608 . 2 1 27 27 CYS H H 1 9.001 . . . . . . . 127 CYS HN . 17561 1 609 . 2 1 27 27 CYS HA H 1 5.574 . . . . . . . 127 CYS HA . 17561 1 610 . 2 1 27 27 CYS HB2 H 1 3.019 . . . . . . . 127 CYS HB2 . 17561 1 611 . 2 1 27 27 CYS HB3 H 1 2.928 . . . . . . . 127 CYS HB3 . 17561 1 612 . 2 1 27 27 CYS CA C 13 54.156 . . . . . . . 127 CYS CA . 17561 1 613 . 2 1 27 27 CYS N N 15 128.036 . . . . . . . 127 CYS N . 17561 1 614 . 2 1 28 28 CYS H H 1 9.305 . . . . . . . 128 CYS HN . 17561 1 615 . 2 1 28 28 CYS HA H 1 6.386 . . . . . . . 128 CYS HA . 17561 1 616 . 2 1 28 28 CYS HB2 H 1 3.034 . . . . . . . 128 CYS HB2 . 17561 1 617 . 2 1 28 28 CYS HB3 H 1 2.546 . . . . . . . 128 CYS HB3 . 17561 1 618 . 2 1 28 28 CYS CA C 13 55.390 . . . . . . . 128 CYS CA . 17561 1 619 . 2 1 28 28 CYS N N 15 124.199 . . . . . . . 128 CYS N . 17561 1 620 . 2 1 29 29 GLY H H 1 8.743 . . . . . . . 129 GLY HN . 17561 1 621 . 2 1 29 29 GLY HA2 H 1 4.975 . . . . . . . 129 GLY HA2 . 17561 1 622 . 2 1 29 29 GLY HA3 H 1 3.970 . . . . . . . 129 GLY HA3 . 17561 1 623 . 2 1 29 29 GLY CA C 13 45.204 . . . . . . . 129 GLY CA . 17561 1 624 . 2 1 29 29 GLY N N 15 106.830 . . . . . . . 129 GLY N . 17561 1 625 . 2 1 30 30 ASP H H 1 9.198 . . . . . . . 130 ASP HN . 17561 1 626 . 2 1 30 30 ASP HA H 1 4.414 . . . . . . . 130 ASP HA . 17561 1 627 . 2 1 30 30 ASP HB2 H 1 2.898 . . . . . . . 130 ASP HB2 . 17561 1 628 . 2 1 30 30 ASP HB3 H 1 2.897 . . . . . . . 130 ASP HB3 . 17561 1 629 . 2 1 30 30 ASP CA C 13 57.216 . . . . . . . 130 ASP CA . 17561 1 630 . 2 1 30 30 ASP N N 15 122.916 . . . . . . . 130 ASP N . 17561 1 631 . 2 1 31 31 GLU H H 1 8.913 . . . . . . . 131 GLU HN . 17561 1 632 . 2 1 31 31 GLU HA H 1 4.524 . . . . . . . 131 GLU HA . 17561 1 633 . 2 1 31 31 GLU HB2 H 1 1.969 . . . . . . . 131 GLU HB2 . 17561 1 634 . 2 1 31 31 GLU HB3 H 1 2.465 . . . . . . . 131 GLU HB3 . 17561 1 635 . 2 1 31 31 GLU HG2 H 1 2.897 . . . . . . . 131 GLU HG2 . 17561 1 636 . 2 1 31 31 GLU HG3 H 1 2.321 . . . . . . . 131 GLU HG3 . 17561 1 637 . 2 1 31 31 GLU CA C 13 55.716 . . . . . . . 131 GLU CA . 17561 1 638 . 2 1 31 31 GLU N N 15 115.253 . . . . . . . 131 GLU N . 17561 1 639 . 2 1 32 32 LEU H H 1 7.368 . . . . . . . 132 LEU HN . 17561 1 640 . 2 1 32 32 LEU HA H 1 4.410 . . . . . . . 132 LEU HA . 17561 1 641 . 2 1 32 32 LEU HB2 H 1 1.673 . . . . . . . 132 LEU HB2 . 17561 1 642 . 2 1 32 32 LEU HB3 H 1 1.602 . . . . . . . 132 LEU HB3 . 17561 1 643 . 2 1 32 32 LEU HG H 1 1.212 . . . . . . . 132 LEU HG . 17561 1 644 . 2 1 32 32 LEU HD11 H 1 0.963 . . . . . . . 132 LEU HD11 . 17561 1 645 . 2 1 32 32 LEU HD12 H 1 0.963 . . . . . . . 132 LEU HD11 . 17561 1 646 . 2 1 32 32 LEU HD13 H 1 0.963 . . . . . . . 132 LEU HD11 . 17561 1 647 . 2 1 32 32 LEU CA C 13 55.510 . . . . . . . 132 LEU CA . 17561 1 648 . 2 1 32 32 LEU N N 15 118.176 . . . . . . . 132 LEU N . 17561 1 649 . 2 1 33 33 GLY H H 1 7.861 . . . . . . . 133 GLY HN . 17561 1 650 . 2 1 33 33 GLY HA2 H 1 3.963 . . . . . . . 133 GLY HA2 . 17561 1 651 . 2 1 33 33 GLY HA3 H 1 3.300 . . . . . . . 133 GLY HA3 . 17561 1 652 . 2 1 33 33 GLY N N 15 103.849 . . . . . . . 133 GLY N . 17561 1 653 . 2 1 34 34 CYS H H 1 8.281 . . . . . . . 134 CYS HN . 17561 1 654 . 2 1 34 34 CYS HA H 1 5.338 . . . . . . . 134 CYS HA . 17561 1 655 . 2 1 34 34 CYS HB2 H 1 2.503 . . . . . . . 134 CYS HB2 . 17561 1 656 . 2 1 34 34 CYS HB3 H 1 2.319 . . . . . . . 134 CYS HB3 . 17561 1 657 . 2 1 34 34 CYS CA C 13 55.713 . . . . . . . 134 CYS CA . 17561 1 658 . 2 1 34 34 CYS N N 15 114.254 . . . . . . . 134 CYS N . 17561 1 659 . 2 1 35 35 PHE H H 1 9.491 . . . . . . . 135 PHE HN . 17561 1 660 . 2 1 35 35 PHE HA H 1 4.432 . . . . . . . 135 PHE HA . 17561 1 661 . 2 1 35 35 PHE HB2 H 1 2.753 . . . . . . . 135 PHE HB2 . 17561 1 662 . 2 1 35 35 PHE N N 15 123.432 . . . . . . . 135 PHE N . 17561 1 663 . 2 1 36 36 VAL H H 1 8.963 . . . . . . . 136 VAL HN . 17561 1 664 . 2 1 36 36 VAL HA H 1 4.739 . . . . . . . 136 VAL HA . 17561 1 665 . 2 1 36 36 VAL HB H 1 1.801 . . . . . . . 136 VAL HB . 17561 1 666 . 2 1 36 36 VAL HG11 H 1 0.390 . . . . . . . 136 VAL HG11 . 17561 1 667 . 2 1 36 36 VAL HG12 H 1 0.390 . . . . . . . 136 VAL HG11 . 17561 1 668 . 2 1 36 36 VAL HG13 H 1 0.390 . . . . . . . 136 VAL HG11 . 17561 1 669 . 2 1 36 36 VAL HG21 H 1 0.515 . . . . . . . 136 VAL HG21 . 17561 1 670 . 2 1 36 36 VAL HG22 H 1 0.515 . . . . . . . 136 VAL HG21 . 17561 1 671 . 2 1 36 36 VAL HG23 H 1 0.515 . . . . . . . 136 VAL HG21 . 17561 1 672 . 2 1 36 36 VAL CA C 13 60.241 . . . . . . . 136 VAL CA . 17561 1 673 . 2 1 36 36 VAL N N 15 124.365 . . . . . . . 136 VAL N . 17561 1 674 . 2 1 37 37 GLY H H 1 9.453 . . . . . . . 137 GLY HN . 17561 1 675 . 2 1 37 37 GLY HA2 H 1 3.935 . . . . . . . 137 GLY HA2 . 17561 1 676 . 2 1 37 37 GLY HA3 H 1 3.792 . . . . . . . 137 GLY HA3 . 17561 1 677 . 2 1 37 37 GLY N N 15 111.266 . . . . . . . 137 GLY N . 17561 1 678 . 2 1 38 38 THR HA H 1 4.496 . . . . . . . 138 THR HA . 17561 1 679 . 2 1 38 38 THR HG1 H 1 4.988 . . . . . . . 138 THR HG1 . 17561 1 680 . 2 1 39 39 ALA H H 1 9.122 . . . . . . . 139 ALA HN . 17561 1 681 . 2 1 39 39 ALA HA H 1 4.000 . . . . . . . 139 ALA HA . 17561 1 682 . 2 1 39 39 ALA HB1 H 1 1.388 . . . . . . . 139 ALA HB3 . 17561 1 683 . 2 1 39 39 ALA HB2 H 1 1.388 . . . . . . . 139 ALA HB3 . 17561 1 684 . 2 1 39 39 ALA HB3 H 1 1.388 . . . . . . . 139 ALA HB3 . 17561 1 685 . 2 1 39 39 ALA N N 15 124.085 . . . . . . . 139 ALA N . 17561 1 686 . 2 1 40 40 GLU H H 1 8.545 . . . . . . . 140 GLU HN . 17561 1 687 . 2 1 40 40 GLU HA H 1 3.852 . . . . . . . 140 GLU HA . 17561 1 688 . 2 1 40 40 GLU HB2 H 1 2.082 . . . . . . . 140 GLU HB2 . 17561 1 689 . 2 1 40 40 GLU CA C 13 58.996 . . . . . . . 140 GLU CA . 17561 1 690 . 2 1 40 40 GLU N N 15 114.678 . . . . . . . 140 GLU N . 17561 1 691 . 2 1 41 41 ALA H H 1 7.480 . . . . . . . 141 ALA HN . 17561 1 692 . 2 1 41 41 ALA HA H 1 4.325 . . . . . . . 141 ALA HA . 17561 1 693 . 2 1 41 41 ALA HB1 H 1 1.204 . . . . . . . 141 ALA HB3 . 17561 1 694 . 2 1 41 41 ALA HB2 H 1 1.204 . . . . . . . 141 ALA HB3 . 17561 1 695 . 2 1 41 41 ALA HB3 H 1 1.204 . . . . . . . 141 ALA HB3 . 17561 1 696 . 2 1 41 41 ALA CA C 13 51.115 . . . . . . . 141 ALA CA . 17561 1 697 . 2 1 41 41 ALA N N 15 117.857 . . . . . . . 141 ALA N . 17561 1 698 . 2 1 42 42 LEU H H 1 7.370 . . . . . . . 142 LEU HN . 17561 1 699 . 2 1 42 42 LEU HA H 1 4.124 . . . . . . . 142 LEU HA . 17561 1 700 . 2 1 42 42 LEU HB2 H 1 1.766 . . . . . . . 142 LEU HB2 . 17561 1 701 . 2 1 42 42 LEU HB3 H 1 1.671 . . . . . . . 142 LEU HB3 . 17561 1 702 . 2 1 42 42 LEU HG H 1 1.532 . . . . . . . 142 LEU HG . 17561 1 703 . 2 1 42 42 LEU HD11 H 1 0.891 . . . . . . . 142 LEU HD11 . 17561 1 704 . 2 1 42 42 LEU HD12 H 1 0.891 . . . . . . . 142 LEU HD11 . 17561 1 705 . 2 1 42 42 LEU HD13 H 1 0.891 . . . . . . . 142 LEU HD11 . 17561 1 706 . 2 1 42 42 LEU HD21 H 1 0.820 . . . . . . . 142 LEU HD21 . 17561 1 707 . 2 1 42 42 LEU HD22 H 1 0.820 . . . . . . . 142 LEU HD21 . 17561 1 708 . 2 1 42 42 LEU HD23 H 1 0.820 . . . . . . . 142 LEU HD21 . 17561 1 709 . 2 1 42 42 LEU CA C 13 58.279 . . . . . . . 142 LEU CA . 17561 1 710 . 2 1 42 42 LEU N N 15 121.363 . . . . . . . 142 LEU N . 17561 1 711 . 2 1 43 43 ARG H H 1 8.195 . . . . . . . 143 ARG HN . 17561 1 712 . 2 1 43 43 ARG HA H 1 4.389 . . . . . . . 143 ARG HA . 17561 1 713 . 2 1 43 43 ARG HB2 H 1 1.857 . . . . . . . 143 ARG HB2 . 17561 1 714 . 2 1 43 43 ARG HG2 H 1 1.854 . . . . . . . 143 ARG HG2 . 17561 1 715 . 2 1 43 43 ARG N N 15 116.955 . . . . . . . 143 ARG N . 17561 1 716 . 2 1 44 44 CYS H H 1 7.849 . . . . . . . 144 CYS HN . 17561 1 717 . 2 1 44 44 CYS HA H 1 4.654 . . . . . . . 144 CYS HA . 17561 1 718 . 2 1 44 44 CYS HB2 H 1 3.026 . . . . . . . 144 CYS HB2 . 17561 1 719 . 2 1 44 44 CYS CA C 13 53.835 . . . . . . . 144 CYS CA . 17561 1 720 . 2 1 44 44 CYS N N 15 115.418 . . . . . . . 144 CYS N . 17561 1 721 . 2 1 45 45 GLN H H 1 7.707 . . . . . . . 145 GLN HN . 17561 1 722 . 2 1 45 45 GLN HA H 1 4.283 . . . . . . . 145 GLN HA . 17561 1 723 . 2 1 45 45 GLN HB2 H 1 2.475 . . . . . . . 145 GLN HB2 . 17561 1 724 . 2 1 45 45 GLN HB3 H 1 2.182 . . . . . . . 145 GLN HB3 . 17561 1 725 . 2 1 45 45 GLN CA C 13 58.110 . . . . . . . 145 GLN CA . 17561 1 726 . 2 1 45 45 GLN N N 15 121.018 . . . . . . . 145 GLN N . 17561 1 727 . 2 1 46 46 GLU H H 1 8.113 . . . . . . . 146 GLU HN . 17561 1 728 . 2 1 46 46 GLU HA H 1 4.647 . . . . . . . 146 GLU HA . 17561 1 729 . 2 1 46 46 GLU HB2 H 1 1.960 . . . . . . . 146 GLU HB2 . 17561 1 730 . 2 1 46 46 GLU HG2 H 1 2.246 . . . . . . . 146 GLU HG2 . 17561 1 731 . 2 1 46 46 GLU N N 15 119.005 . . . . . . . 146 GLU N . 17561 1 732 . 2 1 47 47 GLU H H 1 8.062 . . . . . . . 147 GLU HN . 17561 1 733 . 2 1 47 47 GLU HA H 1 4.316 . . . . . . . 147 GLU HA . 17561 1 734 . 2 1 47 47 GLU HB2 H 1 2.062 . . . . . . . 147 GLU HB2 . 17561 1 735 . 2 1 47 47 GLU HB3 H 1 1.881 . . . . . . . 147 GLU HB3 . 17561 1 736 . 2 1 47 47 GLU HG2 H 1 2.392 . . . . . . . 147 GLU HG2 . 17561 1 737 . 2 1 47 47 GLU N N 15 118.930 . . . . . . . 147 GLU N . 17561 1 738 . 2 1 48 48 ASN H H 1 8.082 . . . . . . . 148 ASN HN . 17561 1 739 . 2 1 48 48 ASN HA H 1 4.591 . . . . . . . 148 ASN HA . 17561 1 740 . 2 1 48 48 ASN HB2 H 1 2.642 . . . . . . . 148 ASN HB2 . 17561 1 741 . 2 1 48 48 ASN N N 15 118.062 . . . . . . . 148 ASN N . 17561 1 742 . 2 1 49 49 TYR H H 1 7.924 . . . . . . . 149 TYR HN . 17561 1 743 . 2 1 49 49 TYR HA H 1 4.284 . . . . . . . 149 TYR HA . 17561 1 744 . 2 1 49 49 TYR HB2 H 1 3.065 . . . . . . . 149 TYR HB2 . 17561 1 745 . 2 1 49 49 TYR HB3 H 1 2.878 . . . . . . . 149 TYR HB3 . 17561 1 746 . 2 1 49 49 TYR N N 15 118.701 . . . . . . . 149 TYR N . 17561 1 747 . 2 1 50 50 LEU H H 1 8.370 . . . . . . . 150 LEU HN . 17561 1 748 . 2 1 50 50 LEU HA H 1 4.375 . . . . . . . 150 LEU HA . 17561 1 749 . 2 1 50 50 LEU HD11 H 1 0.882 . . . . . . . 150 LEU HD11 . 17561 1 750 . 2 1 50 50 LEU HD12 H 1 0.882 . . . . . . . 150 LEU HD11 . 17561 1 751 . 2 1 50 50 LEU HD13 H 1 0.882 . . . . . . . 150 LEU HD11 . 17561 1 752 . 2 1 50 50 LEU N N 15 124.100 . . . . . . . 150 LEU N . 17561 1 753 . 2 1 53 53 PRO HA H 1 4.392 . . . . . . . 153 PRO HA . 17561 1 754 . 2 1 53 53 PRO CA C 13 62.840 . . . . . . . 153 PRO CA . 17561 1 755 . 2 1 54 54 CYS H H 1 8.340 . . . . . . . 154 CYS HN . 17561 1 756 . 2 1 54 54 CYS HA H 1 4.500 . . . . . . . 154 CYS HA . 17561 1 757 . 2 1 54 54 CYS HB2 H 1 3.912 . . . . . . . 154 CYS HB2 . 17561 1 758 . 2 1 54 54 CYS HB3 H 1 3.792 . . . . . . . 154 CYS HB3 . 17561 1 759 . 2 1 54 54 CYS CA C 13 55.740 . . . . . . . 154 CYS CA . 17561 1 760 . 2 1 54 54 CYS N N 15 115.447 . . . . . . . 154 CYS N . 17561 1 761 . 2 1 55 55 GLN H H 1 8.114 . . . . . . . 155 GLN HN . 17561 1 762 . 2 1 55 55 GLN HA H 1 4.401 . . . . . . . 155 GLN HA . 17561 1 763 . 2 1 55 55 GLN HB2 H 1 2.241 . . . . . . . 155 GLN HB2 . 17561 1 764 . 2 1 55 55 GLN HB3 H 1 1.950 . . . . . . . 155 GLN HB3 . 17561 1 765 . 2 1 55 55 GLN HG2 H 1 2.906 . . . . . . . 155 GLN HG2 . 17561 1 766 . 2 1 55 55 GLN N N 15 119.586 . . . . . . . 155 GLN N . 17561 1 767 . 2 1 56 56 SER H H 1 8.206 . . . . . . . 156 SER HN . 17561 1 768 . 2 1 56 56 SER HA H 1 4.309 . . . . . . . 156 SER HA . 17561 1 769 . 2 1 56 56 SER HB2 H 1 3.740 . . . . . . . 156 SER HB2 . 17561 1 770 . 2 1 56 56 SER CA C 13 58.731 . . . . . . . 156 SER CA . 17561 1 771 . 2 1 56 56 SER N N 15 117.341 . . . . . . . 156 SER N . 17561 1 772 . 2 1 57 57 GLY H H 1 8.625 . . . . . . . 157 GLY HN . 17561 1 773 . 2 1 57 57 GLY HA2 H 1 3.968 . . . . . . . 157 GLY HA2 . 17561 1 774 . 2 1 57 57 GLY N N 15 111.157 . . . . . . . 157 GLY N . 17561 1 775 . 2 1 58 58 GLN H H 1 7.901 . . . . . . . 158 GLN HN . 17561 1 776 . 2 1 58 58 GLN HA H 1 4.434 . . . . . . . 158 GLN HA . 17561 1 777 . 2 1 58 58 GLN HB2 H 1 1.963 . . . . . . . 158 GLN HB2 . 17561 1 778 . 2 1 58 58 GLN HG2 H 1 2.437 . . . . . . . 158 GLN HG2 . 17561 1 779 . 2 1 58 58 GLN CA C 13 55.137 . . . . . . . 158 GLN CA . 17561 1 780 . 2 1 58 58 GLN N N 15 118.916 . . . . . . . 158 GLN N . 17561 1 781 . 2 1 59 59 LYS H H 1 8.742 . . . . . . . 159 LYS HN . 17561 1 782 . 2 1 59 59 LYS N N 15 124.500 . . . . . . . 159 LYS N . 17561 1 783 . 2 1 60 60 PRO HA H 1 4.850 . . . . . . . 160 PRO HA . 17561 1 784 . 2 1 60 60 PRO HB2 H 1 2.323 . . . . . . . 160 PRO HB2 . 17561 1 785 . 2 1 60 60 PRO HB3 H 1 1.946 . . . . . . . 160 PRO HB3 . 17561 1 786 . 2 1 60 60 PRO HG2 H 1 1.764 . . . . . . . 160 PRO HG2 . 17561 1 787 . 2 1 61 61 CYS H H 1 7.871 . . . . . . . 161 CYS HN . 17561 1 788 . 2 1 61 61 CYS HA H 1 4.674 . . . . . . . 161 CYS HA . 17561 1 789 . 2 1 61 61 CYS HB2 H 1 3.067 . . . . . . . 161 CYS HB2 . 17561 1 790 . 2 1 61 61 CYS N N 15 116.009 . . . . . . . 161 CYS N . 17561 1 791 . 2 1 62 62 GLY H H 1 8.657 . . . . . . . 162 GLY HN . 17561 1 792 . 2 1 62 62 GLY HA2 H 1 3.811 . . . . . . . 162 GLY HA2 . 17561 1 793 . 2 1 62 62 GLY CA C 13 46.360 . . . . . . . 162 GLY CA . 17561 1 794 . 2 1 62 62 GLY N N 15 108.670 . . . . . . . 162 GLY N . 17561 1 795 . 2 1 63 63 SER H H 1 8.643 . . . . . . . 163 SER HN . 17561 1 796 . 2 1 63 63 SER HA H 1 4.594 . . . . . . . 163 SER HA . 17561 1 797 . 2 1 63 63 SER HB2 H 1 3.742 . . . . . . . 163 SER HB2 . 17561 1 798 . 2 1 63 63 SER N N 15 119.174 . . . . . . . 163 SER N . 17561 1 799 . 2 1 64 64 GLY H H 1 8.478 . . . . . . . 164 GLY HN . 17561 1 800 . 2 1 64 64 GLY HA2 H 1 4.102 . . . . . . . 164 GLY HA2 . 17561 1 801 . 2 1 64 64 GLY HA3 H 1 3.891 . . . . . . . 164 GLY HA3 . 17561 1 802 . 2 1 64 64 GLY N N 15 111.360 . . . . . . . 164 GLY N . 17561 1 803 . 2 1 65 65 GLY H H 1 7.806 . . . . . . . 165 GLY HN . 17561 1 804 . 2 1 65 65 GLY HA2 H 1 4.590 . . . . . . . 165 GLY HA2 . 17561 1 805 . 2 1 65 65 GLY HA3 H 1 3.575 . . . . . . . 165 GLY HA3 . 17561 1 806 . 2 1 65 65 GLY N N 15 107.292 . . . . . . . 165 GLY N . 17561 1 807 . 2 1 66 66 ARG H H 1 8.692 . . . . . . . 166 ARG HN . 17561 1 808 . 2 1 66 66 ARG HA H 1 5.119 . . . . . . . 166 ARG HA . 17561 1 809 . 2 1 66 66 ARG HB2 H 1 1.767 . . . . . . . 166 ARG HB2 . 17561 1 810 . 2 1 66 66 ARG HG2 H 1 1.629 . . . . . . . 166 ARG HG2 . 17561 1 811 . 2 1 66 66 ARG HG3 H 1 1.635 . . . . . . . 166 ARG HG3 . 17561 1 812 . 2 1 66 66 ARG HD2 H 1 3.074 . . . . . . . 166 ARG HD2 . 17561 1 813 . 2 1 66 66 ARG HE H 1 7.201 . . . . . . . 166 ARG HE . 17561 1 814 . 2 1 66 66 ARG N N 15 118.630 . . . . . . . 166 ARG N . 17561 1 815 . 2 1 67 67 CYS H H 1 9.063 . . . . . . . 167 CYS HN . 17561 1 816 . 2 1 67 67 CYS HA H 1 5.024 . . . . . . . 167 CYS HA . 17561 1 817 . 2 1 67 67 CYS HB2 H 1 3.026 . . . . . . . 167 CYS HB2 . 17561 1 818 . 2 1 67 67 CYS HB3 H 1 2.848 . . . . . . . 167 CYS HB3 . 17561 1 819 . 2 1 67 67 CYS CA C 13 54.094 . . . . . . . 167 CYS CA . 17561 1 820 . 2 1 67 67 CYS N N 15 122.470 . . . . . . . 167 CYS N . 17561 1 821 . 2 1 68 68 ALA H H 1 8.122 . . . . . . . 168 ALA HN . 17561 1 822 . 2 1 68 68 ALA HB1 H 1 0.353 . . . . . . . 168 ALA HB3 . 17561 1 823 . 2 1 68 68 ALA HB2 H 1 0.353 . . . . . . . 168 ALA HB3 . 17561 1 824 . 2 1 68 68 ALA HB3 H 1 0.353 . . . . . . . 168 ALA HB3 . 17561 1 825 . 2 1 68 68 ALA N N 15 130.546 . . . . . . . 168 ALA N . 17561 1 826 . 2 1 69 69 ALA H H 1 7.906 . . . . . . . 169 ALA HN . 17561 1 827 . 2 1 69 69 ALA HA H 1 4.250 . . . . . . . 169 ALA HA . 17561 1 828 . 2 1 69 69 ALA HB1 H 1 1.221 . . . . . . . 169 ALA HB3 . 17561 1 829 . 2 1 69 69 ALA HB2 H 1 1.221 . . . . . . . 169 ALA HB3 . 17561 1 830 . 2 1 69 69 ALA HB3 H 1 1.221 . . . . . . . 169 ALA HB3 . 17561 1 831 . 2 1 69 69 ALA N N 15 115.769 . . . . . . . 169 ALA N . 17561 1 832 . 2 1 70 70 ALA H H 1 8.424 . . . . . . . 170 ALA HN . 17561 1 833 . 2 1 70 70 ALA HA H 1 4.023 . . . . . . . 170 ALA HA . 17561 1 834 . 2 1 70 70 ALA HB1 H 1 1.324 . . . . . . . 170 ALA HB3 . 17561 1 835 . 2 1 70 70 ALA HB2 H 1 1.324 . . . . . . . 170 ALA HB3 . 17561 1 836 . 2 1 70 70 ALA HB3 H 1 1.324 . . . . . . . 170 ALA HB3 . 17561 1 837 . 2 1 70 70 ALA CA C 13 54.537 . . . . . . . 170 ALA CA . 17561 1 838 . 2 1 70 70 ALA N N 15 123.333 . . . . . . . 170 ALA N . 17561 1 839 . 2 1 71 71 GLY H H 1 7.865 . . . . . . . 171 GLY HN . 17561 1 840 . 2 1 71 71 GLY HA2 H 1 4.047 . . . . . . . 171 GLY HA2 . 17561 1 841 . 2 1 71 71 GLY HA3 H 1 3.591 . . . . . . . 171 GLY HA3 . 17561 1 842 . 2 1 71 71 GLY CA C 13 46.109 . . . . . . . 171 GLY CA . 17561 1 843 . 2 1 71 71 GLY N N 15 111.852 . . . . . . . 171 GLY N . 17561 1 844 . 2 1 72 72 ILE H H 1 7.914 . . . . . . . 172 ILE HN . 17561 1 845 . 2 1 72 72 ILE HA H 1 4.267 . . . . . . . 172 ILE HA . 17561 1 846 . 2 1 72 72 ILE HG12 H 1 1.289 . . . . . . . 172 ILE HG12 . 17561 1 847 . 2 1 72 72 ILE HD11 H 1 0.515 . . . . . . . 172 ILE HD11 . 17561 1 848 . 2 1 72 72 ILE HD12 H 1 0.515 . . . . . . . 172 ILE HD11 . 17561 1 849 . 2 1 72 72 ILE HD13 H 1 0.515 . . . . . . . 172 ILE HD11 . 17561 1 850 . 2 1 72 72 ILE CA C 13 60.493 . . . . . . . 172 ILE CA . 17561 1 851 . 2 1 72 72 ILE N N 15 120.846 . . . . . . . 172 ILE N . 17561 1 852 . 2 1 73 73 CYS H H 1 8.693 . . . . . . . 173 CYS HN . 17561 1 853 . 2 1 73 73 CYS HA H 1 5.008 . . . . . . . 173 CYS HA . 17561 1 854 . 2 1 73 73 CYS HB2 H 1 2.931 . . . . . . . 173 CYS HB2 . 17561 1 855 . 2 1 73 73 CYS HB3 H 1 2.195 . . . . . . . 173 CYS HB3 . 17561 1 856 . 2 1 73 73 CYS CA C 13 54.156 . . . . . . . 173 CYS CA . 17561 1 857 . 2 1 73 73 CYS N N 15 126.726 . . . . . . . 173 CYS N . 17561 1 858 . 2 1 74 74 CYS H H 1 9.055 . . . . . . . 174 CYS HN . 17561 1 859 . 2 1 74 74 CYS HA H 1 5.828 . . . . . . . 174 CYS HA . 17561 1 860 . 2 1 74 74 CYS HB2 H 1 3.076 . . . . . . . 174 CYS HB2 . 17561 1 861 . 2 1 74 74 CYS HB3 H 1 2.390 . . . . . . . 174 CYS HB3 . 17561 1 862 . 2 1 74 74 CYS CA C 13 56.300 . . . . . . . 174 CYS CA . 17561 1 863 . 2 1 74 74 CYS N N 15 124.970 . . . . . . . 174 CYS N . 17561 1 864 . 2 1 76 76 PRO HA H 1 4.381 . . . . . . . 176 PRO HA . 17561 1 865 . 2 1 77 77 ASP H H 1 7.724 . . . . . . . 177 ASP HN . 17561 1 866 . 2 1 77 77 ASP HA H 1 4.725 . . . . . . . 177 ASP HA . 17561 1 867 . 2 1 77 77 ASP HB2 H 1 2.841 . . . . . . . 177 ASP HB2 . 17561 1 868 . 2 1 77 77 ASP HB3 H 1 2.688 . . . . . . . 177 ASP HB3 . 17561 1 869 . 2 1 77 77 ASP CA C 13 51.934 . . . . . . . 177 ASP CA . 17561 1 870 . 2 1 77 77 ASP N N 15 109.490 . . . . . . . 177 ASP N . 17561 1 871 . 2 1 78 78 GLY H H 1 7.702 . . . . . . . 178 GLY HN . 17561 1 872 . 2 1 78 78 GLY HA2 H 1 4.470 . . . . . . . 178 GLY HA2 . 17561 1 873 . 2 1 78 78 GLY HA3 H 1 3.788 . . . . . . . 178 GLY HA3 . 17561 1 874 . 2 1 78 78 GLY CA C 13 46.470 . . . . . . . 178 GLY CA . 17561 1 875 . 2 1 78 78 GLY N N 15 108.039 . . . . . . . 178 GLY N . 17561 1 876 . 2 1 79 79 CYS H H 1 8.109 . . . . . . . 179 CYS HN . 17561 1 877 . 2 1 79 79 CYS HA H 1 5.807 . . . . . . . 179 CYS HA . 17561 1 878 . 2 1 79 79 CYS HB2 H 1 2.897 . . . . . . . 179 CYS HB2 . 17561 1 879 . 2 1 79 79 CYS HB3 H 1 2.674 . . . . . . . 179 CYS HB3 . 17561 1 880 . 2 1 79 79 CYS N N 15 115.752 . . . . . . . 179 CYS N . 17561 1 881 . 2 1 80 80 HIS H H 1 9.168 . . . . . . . 180 HIS HN . 17561 1 882 . 2 1 80 80 HIS HA H 1 5.229 . . . . . . . 180 HIS HA . 17561 1 883 . 2 1 80 80 HIS N N 15 116.971 . . . . . . . 180 HIS N . 17561 1 884 . 2 1 81 81 GLU H H 1 8.904 . . . . . . . 181 GLU HN . 17561 1 885 . 2 1 81 81 GLU HA H 1 4.539 . . . . . . . 181 GLU HA . 17561 1 886 . 2 1 81 81 GLU HB2 H 1 2.128 . . . . . . . 181 GLU HB2 . 17561 1 887 . 2 1 81 81 GLU HB3 H 1 1.988 . . . . . . . 181 GLU HB3 . 17561 1 888 . 2 1 81 81 GLU HG2 H 1 3.266 . . . . . . . 181 GLU HG2 . 17561 1 889 . 2 1 81 81 GLU HG3 H 1 3.138 . . . . . . . 181 GLU HG3 . 17561 1 890 . 2 1 81 81 GLU CA C 13 53.170 . . . . . . . 181 GLU CA . 17561 1 891 . 2 1 81 81 GLU N N 15 123.037 . . . . . . . 181 GLU N . 17561 1 892 . 2 1 82 82 ASP H H 1 8.449 . . . . . . . 182 ASP HN . 17561 1 893 . 2 1 82 82 ASP HA H 1 5.002 . . . . . . . 182 ASP HA . 17561 1 894 . 2 1 82 82 ASP HB2 H 1 2.542 . . . . . . . 182 ASP HB2 . 17561 1 895 . 2 1 82 82 ASP HB3 H 1 2.310 . . . . . . . 182 ASP HB3 . 17561 1 896 . 2 1 82 82 ASP CA C 13 50.917 . . . . . . . 182 ASP CA . 17561 1 897 . 2 1 82 82 ASP N N 15 122.374 . . . . . . . 182 ASP N . 17561 1 898 . 2 1 83 83 PRO HA H 1 4.366 . . . . . . . 183 PRO HA . 17561 1 899 . 2 1 83 83 PRO HB2 H 1 2.036 . . . . . . . 183 PRO HB2 . 17561 1 900 . 2 1 83 83 PRO HB3 H 1 2.370 . . . . . . . 183 PRO HB3 . 17561 1 901 . 2 1 83 83 PRO CA C 13 63.510 . . . . . . . 183 PRO CA . 17561 1 902 . 2 1 84 84 ALA H H 1 8.375 . . . . . . . 184 ALA HN . 17561 1 903 . 2 1 84 84 ALA HA H 1 4.202 . . . . . . . 184 ALA HA . 17561 1 904 . 2 1 84 84 ALA HB1 H 1 1.355 . . . . . . . 184 ALA HB3 . 17561 1 905 . 2 1 84 84 ALA HB2 H 1 1.355 . . . . . . . 184 ALA HB3 . 17561 1 906 . 2 1 84 84 ALA HB3 H 1 1.355 . . . . . . . 184 ALA HB3 . 17561 1 907 . 2 1 84 84 ALA N N 15 121.488 . . . . . . . 184 ALA N . 17561 1 908 . 2 1 85 85 CYS H H 1 7.908 . . . . . . . 185 CYS HN . 17561 1 909 . 2 1 85 85 CYS HA H 1 4.999 . . . . . . . 185 CYS HA . 17561 1 910 . 2 1 85 85 CYS HB2 H 1 3.472 . . . . . . . 185 CYS HB2 . 17561 1 911 . 2 1 85 85 CYS HB3 H 1 2.453 . . . . . . . 185 CYS HB3 . 17561 1 912 . 2 1 85 85 CYS CA C 13 51.590 . . . . . . . 185 CYS CA . 17561 1 913 . 2 1 85 85 CYS N N 15 112.382 . . . . . . . 185 CYS N . 17561 1 914 . 2 1 86 86 ASP H H 1 8.065 . . . . . . . 186 ASP HN . 17561 1 915 . 2 1 86 86 ASP HA H 1 4.797 . . . . . . . 186 ASP HA . 17561 1 916 . 2 1 86 86 ASP HB2 H 1 2.974 . . . . . . . 186 ASP HB2 . 17561 1 917 . 2 1 86 86 ASP HB3 H 1 2.928 . . . . . . . 186 ASP HB3 . 17561 1 918 . 2 1 86 86 ASP N N 15 125.174 . . . . . . . 186 ASP N . 17561 1 919 . 2 1 87 87 PRO HA H 1 4.398 . . . . . . . 187 PRO HA . 17561 1 920 . 2 1 88 88 GLU H H 1 8.359 . . . . . . . 188 GLU HN . 17561 1 921 . 2 1 88 88 GLU HA H 1 4.129 . . . . . . . 188 GLU HA . 17561 1 922 . 2 1 88 88 GLU HB2 H 1 2.048 . . . . . . . 188 GLU HB2 . 17561 1 923 . 2 1 88 88 GLU HB3 H 1 1.949 . . . . . . . 188 GLU HB3 . 17561 1 924 . 2 1 88 88 GLU HG2 H 1 2.442 . . . . . . . 188 GLU HG2 . 17561 1 925 . 2 1 88 88 GLU HG3 H 1 2.290 . . . . . . . 188 GLU HG3 . 17561 1 926 . 2 1 88 88 GLU CA C 13 56.190 . . . . . . . 188 GLU CA . 17561 1 927 . 2 1 88 88 GLU N N 15 119.924 . . . . . . . 188 GLU N . 17561 1 928 . 2 1 89 89 ALA H H 1 8.118 . . . . . . . 189 ALA HN . 17561 1 929 . 2 1 89 89 ALA HA H 1 4.186 . . . . . . . 189 ALA HA . 17561 1 930 . 2 1 89 89 ALA HB1 H 1 1.322 . . . . . . . 189 ALA HB3 . 17561 1 931 . 2 1 89 89 ALA HB2 H 1 1.322 . . . . . . . 189 ALA HB3 . 17561 1 932 . 2 1 89 89 ALA HB3 H 1 1.322 . . . . . . . 189 ALA HB3 . 17561 1 933 . 2 1 89 89 ALA N N 15 123.437 . . . . . . . 189 ALA N . 17561 1 934 . 2 1 90 90 ALA H H 1 8.045 . . . . . . . 190 ALA HN . 17561 1 935 . 2 1 90 90 ALA HA H 1 4.215 . . . . . . . 190 ALA HA . 17561 1 936 . 2 1 90 90 ALA HB1 H 1 1.317 . . . . . . . 190 ALA HB3 . 17561 1 937 . 2 1 90 90 ALA HB2 H 1 1.317 . . . . . . . 190 ALA HB3 . 17561 1 938 . 2 1 90 90 ALA HB3 H 1 1.317 . . . . . . . 190 ALA HB3 . 17561 1 939 . 2 1 90 90 ALA N N 15 121.662 . . . . . . . 190 ALA N . 17561 1 940 . 2 1 91 91 PHE H H 1 7.769 . . . . . . . 191 PHE HN . 17561 1 941 . 2 1 91 91 PHE HA H 1 4.746 . . . . . . . 191 PHE HA . 17561 1 942 . 2 1 91 91 PHE HB2 H 1 3.023 . . . . . . . 191 PHE HB2 . 17561 1 943 . 2 1 91 91 PHE CA C 13 56.840 . . . . . . . 191 PHE CA . 17561 1 944 . 2 1 91 91 PHE N N 15 117.228 . . . . . . . 191 PHE N . 17561 1 945 . 2 1 92 92 SER H H 1 7.920 . . . . . . . 192 SER HN . 17561 1 946 . 2 1 92 92 SER HB2 H 1 3.856 . . . . . . . 192 SER HB2 . 17561 1 947 . 2 1 92 92 SER HB3 H 1 3.788 . . . . . . . 192 SER HB3 . 17561 1 948 . 2 1 92 92 SER N N 15 118.919 . . . . . . . 192 SER N . 17561 1 stop_ save_