data_17571 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17571 _Entry.Title ; (Revised) SOLUTION STRUCTURE OF THE MONOMERIC FORM OF A MUTANT UNLIGANDED BOVINE NEUROPHYSIN, 20 STRUCTURES. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-01 _Entry.Accession_date 2011-04-01 _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 . . . 17571 2 Tam Nguyen . . . 17571 3 Clay Bracken . . . 17571 4 Esther Breslow . . . 17571 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' . 17571 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID neurophysin . 17571 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17571 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 170 17571 '15N chemical shifts' 74 17571 '1H chemical shifts' 367 17571 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 2011-04-01 original author . 17571 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17561 'Unliganded Bovine Neurophysin' 17571 PDB 2LBN 'BMRB Entry Tracking System' 17571 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17571 _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 . . . 17571 1 2 Mandar Naik . . . 17571 1 3 Clay Bracken . . . 17571 1 4 Esther Breslow . . . 17571 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17571 _Assembly.ID 1 _Assembly.Name 'MUTANT UNLIGANDED BOVINE NEUROPHYSIN' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'Mutant Unliganded Bovine Neurophysin' 1 $entity A . yes native no no . . . 17571 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17571 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Mutant Unliganded Bovine Neurophysin' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AVLDLDVRTCLPCGPGGKGR CFGPSICCGDELGCFVGTAE ALRCQEENYLPSPCQSGQKP CGSGGRCAAAGICCSPDGCE 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 9286.461 _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 17561 . "Bovine Neurophysin" . . . . . 100.00 92 98.91 98.91 1.79e-54 . . . . 17571 1 2 no PDB 1L5C . "Solution Structure Of The Monomeric Form Of A Mutant Unliganded Bovine Neurophysin, 20 Structures" . . . . . 100.00 92 100.00 100.00 6.35e-55 . . . . 17571 1 3 no PDB 1L5D . "Solution Structure Of The Monomeric Form Of A Mutant Unliganded Bovine Neurophysin, Minimized Average Structure" . . . . . 100.00 92 100.00 100.00 6.35e-55 . . . . 17571 1 4 no PDB 2HNU . "Crystal Structure Of A Dipeptide Complex Of Bovine Neurophysin-I" . . . . . 88.04 81 98.77 98.77 2.10e-46 . . . . 17571 1 5 no PDB 2HNV . "Crystal Structure Of A Dipeptide Complex Of The Q58v Mutant Of Bovine Neurophysin-I" . . . . . 88.04 81 97.53 97.53 2.16e-45 . . . . 17571 1 6 no PDB 2HNW . "Crystal Structure Of The F91stop Mutant Of Des1-6 Bovine Neurophysin-I, Unliganded State" . . . . . 86.96 80 98.75 98.75 1.21e-45 . . . . 17571 1 7 no PDB 2LBH . "Solution Structure Of The Dimeric Form Of A Unliganded Bovine Neurophysin, Minimized Average Structure" . . . . . 100.00 92 98.91 98.91 1.79e-54 . . . . 17571 1 8 no PDB 2LBN . "(Revised) Solution Structure Of The Monomeric Form Of A Mutant Unliganded Bovine Neurophysin, 20 Structures" . . . . . 100.00 92 100.00 100.00 6.35e-55 . . . . 17571 1 9 no DBJ BAK09299 . "oxytocin [Bos taurus]" . . . . . 90.22 85 98.80 98.80 1.28e-47 . . . . 17571 1 10 no DBJ BAK09301 . "oxytocin [Bos taurus]" . . . . . 90.22 85 98.80 98.80 1.28e-47 . . . . 17571 1 11 no DBJ BAK09303 . "oxytocin [Bos taurus]" . . . . . 90.22 85 98.80 98.80 1.28e-47 . . . . 17571 1 12 no EMBL CAA23448 . "polyprotein [Bos taurus]" . . . . . 100.00 111 98.91 98.91 1.16e-54 . . . . 17571 1 13 no EMBL CAA23450 . "neurophysin I [Bos taurus]" . . . . . 100.00 94 98.91 98.91 1.12e-54 . . . . 17571 1 14 no EMBL CAA25462 . "unnamed protein product [Bos taurus]" . . . . . 100.00 110 98.91 98.91 1.28e-54 . . . . 17571 1 15 no EMBL CAJ81049 . "oxytocin-neurophysin 1 precursor [Bubalus bubalis]" . . . . . 100.00 125 97.83 97.83 3.76e-54 . . . . 17571 1 16 no GB AAA30680 . "oxytocin/neurophysin precursor [Bos taurus]" . . . . . 100.00 125 98.91 98.91 7.76e-55 . . . . 17571 1 17 no GB AAI41998 . "Oxytocin, prepropeptide [Bos taurus]" . . . . . 100.00 125 98.91 98.91 7.76e-55 . . . . 17571 1 18 no GB AFU54450 . "oxytocin-neurophysin 1 precursor, partial [Bubalus bubalis]" . . . . . 100.00 111 97.83 97.83 6.83e-54 . . . . 17571 1 19 no GB ELK04017 . "Vasopressin-neurophysin 2-copeptin [Pteropus alecto]" . . . . . 81.52 182 97.33 97.33 3.32e-41 . . . . 17571 1 20 no PRF 0904308A . "oxytocin neurophysin I precursor" . . . . . 100.00 111 98.91 98.91 1.16e-54 . . . . 17571 1 21 no PRF 1005247A . "oxytocin neurophysin I precursor" . . . . . 100.00 125 98.91 98.91 7.76e-55 . . . . 17571 1 22 no PRF 1307200B . "neurophysin VLDV" . . . . . 100.00 93 98.91 98.91 1.63e-54 . . . . 17571 1 23 no REF NP_789825 . "oxytocin-neurophysin 1 preproprotein [Bos taurus]" . . . . . 100.00 125 98.91 98.91 7.76e-55 . . . . 17571 1 24 no REF XP_006042791 . "PREDICTED: oxytocin-neurophysin 1 [Bubalus bubalis]" . . . . . 100.00 172 97.83 97.83 1.89e-54 . . . . 17571 1 25 no SP P01175 . "RecName: Full=Oxytocin-neurophysin 1; Short=OT-NPI; Contains: RecName: Full=Oxytocin; AltName: Full=Ocytocin; Contains: RecName" . . . . . 100.00 125 98.91 98.91 7.76e-55 . . . . 17571 1 26 no TPG DAA23107 . "TPA: oxytocin-neurophysin 1 preproprotein [Bos taurus]" . . . . . 100.00 125 98.91 98.91 7.76e-55 . . . . 17571 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 . 17571 1 2 . VAL . 17571 1 3 . LEU . 17571 1 4 . ASP . 17571 1 5 . LEU . 17571 1 6 . ASP . 17571 1 7 . VAL . 17571 1 8 . ARG . 17571 1 9 . THR . 17571 1 10 . CYS . 17571 1 11 . LEU . 17571 1 12 . PRO . 17571 1 13 . CYS . 17571 1 14 . GLY . 17571 1 15 . PRO . 17571 1 16 . GLY . 17571 1 17 . GLY . 17571 1 18 . LYS . 17571 1 19 . GLY . 17571 1 20 . ARG . 17571 1 21 . CYS . 17571 1 22 . PHE . 17571 1 23 . GLY . 17571 1 24 . PRO . 17571 1 25 . SER . 17571 1 26 . ILE . 17571 1 27 . CYS . 17571 1 28 . CYS . 17571 1 29 . GLY . 17571 1 30 . ASP . 17571 1 31 . GLU . 17571 1 32 . LEU . 17571 1 33 . GLY . 17571 1 34 . CYS . 17571 1 35 . PHE . 17571 1 36 . VAL . 17571 1 37 . GLY . 17571 1 38 . THR . 17571 1 39 . ALA . 17571 1 40 . GLU . 17571 1 41 . ALA . 17571 1 42 . LEU . 17571 1 43 . ARG . 17571 1 44 . CYS . 17571 1 45 . GLN . 17571 1 46 . GLU . 17571 1 47 . GLU . 17571 1 48 . ASN . 17571 1 49 . TYR . 17571 1 50 . LEU . 17571 1 51 . PRO . 17571 1 52 . SER . 17571 1 53 . PRO . 17571 1 54 . CYS . 17571 1 55 . GLN . 17571 1 56 . SER . 17571 1 57 . GLY . 17571 1 58 . GLN . 17571 1 59 . LYS . 17571 1 60 . PRO . 17571 1 61 . CYS . 17571 1 62 . GLY . 17571 1 63 . SER . 17571 1 64 . GLY . 17571 1 65 . GLY . 17571 1 66 . ARG . 17571 1 67 . CYS . 17571 1 68 . ALA . 17571 1 69 . ALA . 17571 1 70 . ALA . 17571 1 71 . GLY . 17571 1 72 . ILE . 17571 1 73 . CYS . 17571 1 74 . CYS . 17571 1 75 . SER . 17571 1 76 . PRO . 17571 1 77 . ASP . 17571 1 78 . GLY . 17571 1 79 . CYS . 17571 1 80 . GLU . 17571 1 81 . GLU . 17571 1 82 . ASP . 17571 1 83 . PRO . 17571 1 84 . ALA . 17571 1 85 . CYS . 17571 1 86 . ASP . 17571 1 87 . PRO . 17571 1 88 . GLU . 17571 1 89 . ALA . 17571 1 90 . ALA . 17571 1 91 . PHE . 17571 1 92 . SER . 17571 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 17571 1 . VAL 2 2 17571 1 . LEU 3 3 17571 1 . ASP 4 4 17571 1 . LEU 5 5 17571 1 . ASP 6 6 17571 1 . VAL 7 7 17571 1 . ARG 8 8 17571 1 . THR 9 9 17571 1 . CYS 10 10 17571 1 . LEU 11 11 17571 1 . PRO 12 12 17571 1 . CYS 13 13 17571 1 . GLY 14 14 17571 1 . PRO 15 15 17571 1 . GLY 16 16 17571 1 . GLY 17 17 17571 1 . LYS 18 18 17571 1 . GLY 19 19 17571 1 . ARG 20 20 17571 1 . CYS 21 21 17571 1 . PHE 22 22 17571 1 . GLY 23 23 17571 1 . PRO 24 24 17571 1 . SER 25 25 17571 1 . ILE 26 26 17571 1 . CYS 27 27 17571 1 . CYS 28 28 17571 1 . GLY 29 29 17571 1 . ASP 30 30 17571 1 . GLU 31 31 17571 1 . LEU 32 32 17571 1 . GLY 33 33 17571 1 . CYS 34 34 17571 1 . PHE 35 35 17571 1 . VAL 36 36 17571 1 . GLY 37 37 17571 1 . THR 38 38 17571 1 . ALA 39 39 17571 1 . GLU 40 40 17571 1 . ALA 41 41 17571 1 . LEU 42 42 17571 1 . ARG 43 43 17571 1 . CYS 44 44 17571 1 . GLN 45 45 17571 1 . GLU 46 46 17571 1 . GLU 47 47 17571 1 . ASN 48 48 17571 1 . TYR 49 49 17571 1 . LEU 50 50 17571 1 . PRO 51 51 17571 1 . SER 52 52 17571 1 . PRO 53 53 17571 1 . CYS 54 54 17571 1 . GLN 55 55 17571 1 . SER 56 56 17571 1 . GLY 57 57 17571 1 . GLN 58 58 17571 1 . LYS 59 59 17571 1 . PRO 60 60 17571 1 . CYS 61 61 17571 1 . GLY 62 62 17571 1 . SER 63 63 17571 1 . GLY 64 64 17571 1 . GLY 65 65 17571 1 . ARG 66 66 17571 1 . CYS 67 67 17571 1 . ALA 68 68 17571 1 . ALA 69 69 17571 1 . ALA 70 70 17571 1 . GLY 71 71 17571 1 . ILE 72 72 17571 1 . CYS 73 73 17571 1 . CYS 74 74 17571 1 . SER 75 75 17571 1 . PRO 76 76 17571 1 . ASP 77 77 17571 1 . GLY 78 78 17571 1 . CYS 79 79 17571 1 . GLU 80 80 17571 1 . GLU 81 81 17571 1 . ASP 82 82 17571 1 . PRO 83 83 17571 1 . ALA 84 84 17571 1 . CYS 85 85 17571 1 . ASP 86 86 17571 1 . PRO 87 87 17571 1 . GLU 88 88 17571 1 . ALA 89 89 17571 1 . ALA 90 90 17571 1 . PHE 91 91 17571 1 . SER 92 92 17571 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 17571 _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 $entity . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 17571 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 17571 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . 'Bl21(de)plys S' . . . . . . . . . . . . . . T7 . . . . . . 17571 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17571 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 1.4 . . mM . . . . 17571 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17571 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17571 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17571 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.4 . . mM . . . . 17571 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17571 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17571 2 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 17571 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 17571 1 pressure 1 . atm 17571 1 temperature 283 . K 17571 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 17571 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 17571 2 pressure 1 . atm 17571 2 temperature 298 . K 17571 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 17571 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 17571 3 pressure 1 . atm 17571 3 temperature 303 . K 17571 3 stop_ save_ ############################ # Computer software used # ############################ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 17571 _Software.ID 1 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17571 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17571 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17571 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17571 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17571 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17571 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17571 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17571 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17571 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17571 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17571 4 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 17571 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17571 _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 . . . 17571 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 17571 _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 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17571 1 2 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17571 1 3 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17571 1 4 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17571 1 5 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17571 1 6 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17571 1 7 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 anisotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17571 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17571 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17571 _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 . . . . . . . . . 17571 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 17571 1 N 15 DSS nitrogen . . . . ppm 0 external direct 1 . . . . . . . . . 17571 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 17571 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 '3D 1H-15N NOESY' . . . 17571 1 2 '3D 1H-15N NOESY' . . . 17571 1 3 '3D HNHA' . . . 17571 1 4 '3D 1H-13C NOESY' . . . 17571 1 5 '3D 1H-13C NOESY' . . . 17571 1 6 '2D 1H-15N HSQC' . . . 17571 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 HA H 1 4.119 . . 1 . . . A 2 VAL HA . 17571 1 2 . 1 1 2 2 VAL HB H 1 2.040 . . 1 . . . A 2 VAL HB . 17571 1 3 . 1 1 2 2 VAL HG11 H 1 0.939 . . 4 . . . A 2 VAL HG11 . 17571 1 4 . 1 1 2 2 VAL HG12 H 1 0.939 . . 4 . . . A 2 VAL HG11 . 17571 1 5 . 1 1 2 2 VAL HG13 H 1 0.939 . . 4 . . . A 2 VAL HG11 . 17571 1 6 . 1 1 2 2 VAL CB C 13 33.047 . . 1 . . . A 2 VAL CB . 17571 1 7 . 1 1 2 2 VAL CG1 C 13 21.102 . . 2 . . . A 2 VAL CG1 . 17571 1 8 . 1 1 3 3 LEU H H 1 8.366 . . 1 . . . A 3 LEU H . 17571 1 9 . 1 1 3 3 LEU HA H 1 4.347 . . 1 . . . A 3 LEU HA . 17571 1 10 . 1 1 3 3 LEU HB2 H 1 1.591 . . 2 . . . A 3 LEU HB2 . 17571 1 11 . 1 1 3 3 LEU HD11 H 1 0.889 . . 4 . . . A 3 LEU HD11 . 17571 1 12 . 1 1 3 3 LEU HD12 H 1 0.889 . . 4 . . . A 3 LEU HD11 . 17571 1 13 . 1 1 3 3 LEU HD13 H 1 0.889 . . 4 . . . A 3 LEU HD11 . 17571 1 14 . 1 1 3 3 LEU CA C 13 55.061 . . 1 . . . A 3 LEU CA . 17571 1 15 . 1 1 3 3 LEU CB C 13 42.506 . . 1 . . . A 3 LEU CB . 17571 1 16 . 1 1 3 3 LEU CD1 C 13 23.947 . . 2 . . . A 3 LEU CD1 . 17571 1 17 . 1 1 3 3 LEU N N 15 125.794 . . 1 . . . A 3 LEU N . 17571 1 18 . 1 1 4 4 ASP H H 1 8.246 . . 1 . . . A 4 ASP H . 17571 1 19 . 1 1 4 4 ASP HA H 1 4.579 . . 1 . . . A 4 ASP HA . 17571 1 20 . 1 1 4 4 ASP HB2 H 1 2.632 . . 2 . . . A 4 ASP HB2 . 17571 1 21 . 1 1 4 4 ASP HB3 H 1 2.585 . . 2 . . . A 4 ASP HB3 . 17571 1 22 . 1 1 4 4 ASP CA C 13 54.212 . . 1 . . . A 4 ASP CA . 17571 1 23 . 1 1 4 4 ASP CB C 13 41.108 . . 1 . . . A 4 ASP CB . 17571 1 24 . 1 1 4 4 ASP N N 15 121.786 . . 1 . . . A 4 ASP N . 17571 1 25 . 1 1 5 5 LEU H H 1 8.047 . . 1 . . . A 5 LEU H . 17571 1 26 . 1 1 5 5 LEU HB2 H 1 1.758 . . 2 . . . A 5 LEU HB2 . 17571 1 27 . 1 1 5 5 LEU HD11 H 1 0.907 . . 4 . . . A 5 LEU HD11 . 17571 1 28 . 1 1 5 5 LEU HD12 H 1 0.907 . . 4 . . . A 5 LEU HD11 . 17571 1 29 . 1 1 5 5 LEU HD13 H 1 0.907 . . 4 . . . A 5 LEU HD11 . 17571 1 30 . 1 1 5 5 LEU CB C 13 42.455 . . 1 . . . A 5 LEU CB . 17571 1 31 . 1 1 5 5 LEU N N 15 122.229 . . 1 . . . A 5 LEU N . 17571 1 32 . 1 1 6 6 ASP H H 1 8.344 . . 1 . . . A 6 ASP H . 17571 1 33 . 1 1 6 6 ASP HA H 1 4.588 . . 1 . . . A 6 ASP HA . 17571 1 34 . 1 1 6 6 ASP HB2 H 1 2.692 . . 2 . . . A 6 ASP HB2 . 17571 1 35 . 1 1 6 6 ASP HB3 H 1 2.722 . . 2 . . . A 6 ASP HB3 . 17571 1 36 . 1 1 6 6 ASP CA C 13 54.252 . . 1 . . . A 6 ASP CA . 17571 1 37 . 1 1 6 6 ASP CB C 13 41.396 . . 1 . . . A 6 ASP CB . 17571 1 38 . 1 1 6 6 ASP N N 15 121.265 . . 1 . . . A 6 ASP N . 17571 1 39 . 1 1 7 7 VAL H H 1 7.891 . . 1 . . . A 7 VAL H . 17571 1 40 . 1 1 7 7 VAL HA H 1 4.119 . . 1 . . . A 7 VAL HA . 17571 1 41 . 1 1 7 7 VAL HB H 1 2.104 . . 1 . . . A 7 VAL HB . 17571 1 42 . 1 1 7 7 VAL HG11 H 1 0.894 . . 4 . . . A 7 VAL HG11 . 17571 1 43 . 1 1 7 7 VAL HG12 H 1 0.894 . . 4 . . . A 7 VAL HG11 . 17571 1 44 . 1 1 7 7 VAL HG13 H 1 0.894 . . 4 . . . A 7 VAL HG11 . 17571 1 45 . 1 1 7 7 VAL CA C 13 62.335 . . 1 . . . A 7 VAL CA . 17571 1 46 . 1 1 7 7 VAL CB C 13 32.356 . . 1 . . . A 7 VAL CB . 17571 1 47 . 1 1 7 7 VAL CG1 C 13 20.706 . . 2 . . . A 7 VAL CG1 . 17571 1 48 . 1 1 7 7 VAL N N 15 119.823 . . 1 . . . A 7 VAL N . 17571 1 49 . 1 1 8 8 ARG H H 1 8.311 . . 1 . . . A 8 ARG H . 17571 1 50 . 1 1 8 8 ARG HA H 1 4.361 . . 1 . . . A 8 ARG HA . 17571 1 51 . 1 1 8 8 ARG HB2 H 1 1.801 . . 2 . . . A 8 ARG HB2 . 17571 1 52 . 1 1 8 8 ARG HB3 H 1 1.745 . . 2 . . . A 8 ARG HB3 . 17571 1 53 . 1 1 8 8 ARG HG2 H 1 1.595 . . 2 . . . A 8 ARG HG2 . 17571 1 54 . 1 1 8 8 ARG HD2 H 1 3.237 . . 2 . . . A 8 ARG HD2 . 17571 1 55 . 1 1 8 8 ARG HD3 H 1 3.167 . . 2 . . . A 8 ARG HD3 . 17571 1 56 . 1 1 8 8 ARG CA C 13 56.434 . . 1 . . . A 8 ARG CA . 17571 1 57 . 1 1 8 8 ARG CB C 13 30.818 . . 1 . . . A 8 ARG CB . 17571 1 58 . 1 1 8 8 ARG CD C 13 43.205 . . 1 . . . A 8 ARG CD . 17571 1 59 . 1 1 8 8 ARG N N 15 123.748 . . 1 . . . A 8 ARG N . 17571 1 60 . 1 1 9 9 THR H H 1 8.049 . . 1 . . . A 9 THR H . 17571 1 61 . 1 1 9 9 THR HA H 1 4.391 . . 1 . . . A 9 THR HA . 17571 1 62 . 1 1 9 9 THR HB H 1 4.187 . . 1 . . . A 9 THR HB . 17571 1 63 . 1 1 9 9 THR HG21 H 1 1.179 . . 1 . . . A 9 THR HG21 . 17571 1 64 . 1 1 9 9 THR HG22 H 1 1.179 . . 1 . . . A 9 THR HG21 . 17571 1 65 . 1 1 9 9 THR HG23 H 1 1.179 . . 1 . . . A 9 THR HG21 . 17571 1 66 . 1 1 9 9 THR CA C 13 61.561 . . 1 . . . A 9 THR CA . 17571 1 67 . 1 1 9 9 THR CB C 13 69.925 . . 1 . . . A 9 THR CB . 17571 1 68 . 1 1 9 9 THR CG2 C 13 21.957 . . 1 . . . A 9 THR CG2 . 17571 1 69 . 1 1 9 9 THR N N 15 113.821 . . 1 . . . A 9 THR N . 17571 1 70 . 1 1 11 11 LEU H H 1 9.087 . . 1 . . . A 11 LEU H . 17571 1 71 . 1 1 11 11 LEU HA H 1 4.470 . . 1 . . . A 11 LEU HA . 17571 1 72 . 1 1 11 11 LEU HB2 H 1 1.722 . . 2 . . . A 11 LEU HB2 . 17571 1 73 . 1 1 11 11 LEU HG H 1 1.533 . . 1 . . . A 11 LEU HG . 17571 1 74 . 1 1 11 11 LEU HD11 H 1 0.907 . . 4 . . . A 11 LEU HD11 . 17571 1 75 . 1 1 11 11 LEU HD12 H 1 0.907 . . 4 . . . A 11 LEU HD11 . 17571 1 76 . 1 1 11 11 LEU HD13 H 1 0.907 . . 4 . . . A 11 LEU HD11 . 17571 1 77 . 1 1 11 11 LEU CA C 13 53.486 . . 1 . . . A 11 LEU CA . 17571 1 78 . 1 1 11 11 LEU N N 15 127.459 . . 1 . . . A 11 LEU N . 17571 1 79 . 1 1 12 12 PRO HA H 1 5.023 . . 1 . . . A 12 PRO HA . 17571 1 80 . 1 1 12 12 PRO HB2 H 1 1.832 . . 2 . . . A 12 PRO HB2 . 17571 1 81 . 1 1 12 12 PRO HB3 H 1 2.406 . . 2 . . . A 12 PRO HB3 . 17571 1 82 . 1 1 12 12 PRO HG2 H 1 1.985 . . 2 . . . A 12 PRO HG2 . 17571 1 83 . 1 1 12 12 PRO HG3 H 1 1.884 . . 2 . . . A 12 PRO HG3 . 17571 1 84 . 1 1 12 12 PRO HD2 H 1 4.020 . . 2 . . . A 12 PRO HD2 . 17571 1 85 . 1 1 12 12 PRO HD3 H 1 3.609 . . 2 . . . A 12 PRO HD3 . 17571 1 86 . 1 1 12 12 PRO CA C 13 62.171 . . 1 . . . A 12 PRO CA . 17571 1 87 . 1 1 12 12 PRO CB C 13 33.154 . . 1 . . . A 12 PRO CB . 17571 1 88 . 1 1 12 12 PRO CD C 13 51.204 . . 1 . . . A 12 PRO CD . 17571 1 89 . 1 1 13 13 CYS H H 1 7.883 . . 1 . . . A 13 CYS H . 17571 1 90 . 1 1 13 13 CYS HA H 1 4.794 . . 1 . . . A 13 CYS HA . 17571 1 91 . 1 1 13 13 CYS HB2 H 1 3.194 . . 2 . . . A 13 CYS HB2 . 17571 1 92 . 1 1 13 13 CYS CA C 13 54.703 . . 1 . . . A 13 CYS CA . 17571 1 93 . 1 1 13 13 CYS CB C 13 46.739 . . 1 . . . A 13 CYS CB . 17571 1 94 . 1 1 13 13 CYS N N 15 113.507 . . 1 . . . A 13 CYS N . 17571 1 95 . 1 1 14 14 GLY H H 1 8.212 . . 1 . . . A 14 GLY H . 17571 1 96 . 1 1 14 14 GLY HA2 H 1 3.773 . . 2 . . . A 14 GLY HA2 . 17571 1 97 . 1 1 14 14 GLY CA C 13 44.954 . . 1 . . . A 14 GLY CA . 17571 1 98 . 1 1 14 14 GLY N N 15 106.063 . . 1 . . . A 14 GLY N . 17571 1 99 . 1 1 15 15 PRO HB2 H 1 2.138 . . 2 . . . A 15 PRO HB2 . 17571 1 100 . 1 1 15 15 PRO HG2 H 1 1.949 . . 2 . . . A 15 PRO HG2 . 17571 1 101 . 1 1 15 15 PRO HD2 H 1 3.384 . . 2 . . . A 15 PRO HD2 . 17571 1 102 . 1 1 15 15 PRO HD3 H 1 3.170 . . 2 . . . A 15 PRO HD3 . 17571 1 103 . 1 1 15 15 PRO CD C 13 49.348 . . 1 . . . A 15 PRO CD . 17571 1 104 . 1 1 16 16 GLY H H 1 9.231 . . 1 . . . A 16 GLY H . 17571 1 105 . 1 1 16 16 GLY HA2 H 1 3.943 . . 2 . . . A 16 GLY HA2 . 17571 1 106 . 1 1 16 16 GLY CA C 13 44.617 . . 1 . . . A 16 GLY CA . 17571 1 107 . 1 1 17 17 GLY H H 1 8.394 . . 1 . . . A 17 GLY H . 17571 1 108 . 1 1 17 17 GLY HA2 H 1 3.884 . . 2 . . . A 17 GLY HA2 . 17571 1 109 . 1 1 17 17 GLY HA3 H 1 3.463 . . 2 . . . A 17 GLY HA3 . 17571 1 110 . 1 1 17 17 GLY CA C 13 46.533 . . 1 . . . A 17 GLY CA . 17571 1 111 . 1 1 17 17 GLY N N 15 108.671 . . 1 . . . A 17 GLY N . 17571 1 112 . 1 1 18 18 LYS H H 1 7.218 . . 1 . . . A 18 LYS H . 17571 1 113 . 1 1 18 18 LYS HA H 1 4.256 . . 1 . . . A 18 LYS HA . 17571 1 114 . 1 1 18 18 LYS HB2 H 1 2.026 . . 2 . . . A 18 LYS HB2 . 17571 1 115 . 1 1 18 18 LYS HB3 H 1 1.760 . . 2 . . . A 18 LYS HB3 . 17571 1 116 . 1 1 18 18 LYS HG2 H 1 1.539 . . 2 . . . A 18 LYS HG2 . 17571 1 117 . 1 1 18 18 LYS HG3 H 1 1.453 . . 2 . . . A 18 LYS HG3 . 17571 1 118 . 1 1 18 18 LYS HD2 H 1 1.640 . . 2 . . . A 18 LYS HD2 . 17571 1 119 . 1 1 18 18 LYS HE2 H 1 2.976 . . 2 . . . A 18 LYS HE2 . 17571 1 120 . 1 1 18 18 LYS CA C 13 57.234 . . 1 . . . A 18 LYS CA . 17571 1 121 . 1 1 18 18 LYS CB C 13 33.212 . . 1 . . . A 18 LYS CB . 17571 1 122 . 1 1 18 18 LYS CG C 13 26.006 . . 1 . . . A 18 LYS CG . 17571 1 123 . 1 1 18 18 LYS CD C 13 29.024 . . 1 . . . A 18 LYS CD . 17571 1 124 . 1 1 18 18 LYS CE C 13 42.354 . . 1 . . . A 18 LYS CE . 17571 1 125 . 1 1 18 18 LYS N N 15 114.903 . . 1 . . . A 18 LYS N . 17571 1 126 . 1 1 19 19 GLY H H 1 8.426 . . 1 . . . A 19 GLY H . 17571 1 127 . 1 1 19 19 GLY HA2 H 1 4.503 . . 2 . . . A 19 GLY HA2 . 17571 1 128 . 1 1 19 19 GLY HA3 H 1 3.343 . . 2 . . . A 19 GLY HA3 . 17571 1 129 . 1 1 19 19 GLY CA C 13 43.967 . . 1 . . . A 19 GLY CA . 17571 1 130 . 1 1 19 19 GLY N N 15 108.331 . . 1 . . . A 19 GLY N . 17571 1 131 . 1 1 20 20 ARG H H 1 8.985 . . 1 . . . A 20 ARG H . 17571 1 132 . 1 1 20 20 ARG HA H 1 5.199 . . 1 . . . A 20 ARG HA . 17571 1 133 . 1 1 20 20 ARG HB2 H 1 1.721 . . 2 . . . A 20 ARG HB2 . 17571 1 134 . 1 1 20 20 ARG HG2 H 1 1.558 . . 2 . . . A 20 ARG HG2 . 17571 1 135 . 1 1 20 20 ARG HD2 H 1 3.222 . . 2 . . . A 20 ARG HD2 . 17571 1 136 . 1 1 20 20 ARG HD3 H 1 2.981 . . 2 . . . A 20 ARG HD3 . 17571 1 137 . 1 1 20 20 ARG CA C 13 54.230 . . 1 . . . A 20 ARG CA . 17571 1 138 . 1 1 20 20 ARG CB C 13 34.053 . . 1 . . . A 20 ARG CB . 17571 1 139 . 1 1 20 20 ARG CG C 13 29.778 . . 1 . . . A 20 ARG CG . 17571 1 140 . 1 1 20 20 ARG N N 15 118.924 . . 1 . . . A 20 ARG N . 17571 1 141 . 1 1 21 21 CYS H H 1 8.846 . . 1 . . . A 21 CYS H . 17571 1 142 . 1 1 21 21 CYS HA H 1 5.307 . . 1 . . . A 21 CYS HA . 17571 1 143 . 1 1 21 21 CYS HB2 H 1 3.024 . . 2 . . . A 21 CYS HB2 . 17571 1 144 . 1 1 21 21 CYS HB3 H 1 2.907 . . 2 . . . A 21 CYS HB3 . 17571 1 145 . 1 1 21 21 CYS CA C 13 55.703 . . 1 . . . A 21 CYS CA . 17571 1 146 . 1 1 21 21 CYS CB C 13 38.455 . . 1 . . . A 21 CYS CB . 17571 1 147 . 1 1 21 21 CYS N N 15 122.113 . . 1 . . . A 21 CYS N . 17571 1 148 . 1 1 22 22 PHE H H 1 8.949 . . 1 . . . A 22 PHE H . 17571 1 149 . 1 1 22 22 PHE HA H 1 4.391 . . 1 . . . A 22 PHE HA . 17571 1 150 . 1 1 22 22 PHE HB2 H 1 2.892 . . 2 . . . A 22 PHE HB2 . 17571 1 151 . 1 1 22 22 PHE HB3 H 1 2.663 . . 2 . . . A 22 PHE HB3 . 17571 1 152 . 1 1 22 22 PHE HD2 H 1 7.047 . . 3 . . . A 22 PHE HD2 . 17571 1 153 . 1 1 22 22 PHE HE2 H 1 7.176 . . 3 . . . A 22 PHE HE2 . 17571 1 154 . 1 1 22 22 PHE CA C 13 58.315 . . 1 . . . A 22 PHE CA . 17571 1 155 . 1 1 22 22 PHE CB C 13 41.026 . . 1 . . . A 22 PHE CB . 17571 1 156 . 1 1 22 22 PHE N N 15 126.507 . . 1 . . . A 22 PHE N . 17571 1 157 . 1 1 23 23 GLY H H 1 8.039 . . 1 . . . A 23 GLY H . 17571 1 158 . 1 1 23 23 GLY HA2 H 1 3.827 . . 2 . . . A 23 GLY HA2 . 17571 1 159 . 1 1 23 23 GLY N N 15 106.213 . . 1 . . . A 23 GLY N . 17571 1 160 . 1 1 24 24 PRO HA H 1 4.288 . . 1 . . . A 24 PRO HA . 17571 1 161 . 1 1 24 24 PRO HB2 H 1 2.166 . . 2 . . . A 24 PRO HB2 . 17571 1 162 . 1 1 24 24 PRO HB3 H 1 1.925 . . 2 . . . A 24 PRO HB3 . 17571 1 163 . 1 1 24 24 PRO HG2 H 1 2.030 . . 2 . . . A 24 PRO HG2 . 17571 1 164 . 1 1 24 24 PRO HD2 H 1 3.825 . . 2 . . . A 24 PRO HD2 . 17571 1 165 . 1 1 24 24 PRO HD3 H 1 3.548 . . 2 . . . A 24 PRO HD3 . 17571 1 166 . 1 1 24 24 PRO CB C 13 31.147 . . 1 . . . A 24 PRO CB . 17571 1 167 . 1 1 24 24 PRO CD C 13 50.603 . . 1 . . . A 24 PRO CD . 17571 1 168 . 1 1 25 25 SER H H 1 8.041 . . 1 . . . A 25 SER H . 17571 1 169 . 1 1 25 25 SER HA H 1 4.310 . . 1 . . . A 25 SER HA . 17571 1 170 . 1 1 25 25 SER HB2 H 1 3.935 . . 2 . . . A 25 SER HB2 . 17571 1 171 . 1 1 25 25 SER CA C 13 58.203 . . 1 . . . A 25 SER CA . 17571 1 172 . 1 1 25 25 SER CB C 13 63.806 . . 1 . . . A 25 SER CB . 17571 1 173 . 1 1 25 25 SER N N 15 110.487 . . 1 . . . A 25 SER N . 17571 1 174 . 1 1 26 26 ILE H H 1 7.405 . . 1 . . . A 26 ILE H . 17571 1 175 . 1 1 26 26 ILE HA H 1 4.950 . . 1 . . . A 26 ILE HA . 17571 1 176 . 1 1 26 26 ILE HB H 1 1.550 . . 1 . . . A 26 ILE HB . 17571 1 177 . 1 1 26 26 ILE HG12 H 1 1.270 . . 4 . . . A 26 ILE HG12 . 17571 1 178 . 1 1 26 26 ILE HG21 H 1 0.874 . . 4 . . . A 26 ILE HG21 . 17571 1 179 . 1 1 26 26 ILE HG22 H 1 0.874 . . 4 . . . A 26 ILE HG21 . 17571 1 180 . 1 1 26 26 ILE HG23 H 1 0.874 . . 4 . . . A 26 ILE HG21 . 17571 1 181 . 1 1 26 26 ILE HD11 H 1 0.825 . . 1 . . . A 26 ILE HD11 . 17571 1 182 . 1 1 26 26 ILE HD12 H 1 0.825 . . 1 . . . A 26 ILE HD11 . 17571 1 183 . 1 1 26 26 ILE HD13 H 1 0.825 . . 1 . . . A 26 ILE HD11 . 17571 1 184 . 1 1 26 26 ILE CA C 13 60.995 . . 1 . . . A 26 ILE CA . 17571 1 185 . 1 1 26 26 ILE CG2 C 13 19.891 . . 1 . . . A 26 ILE CG2 . 17571 1 186 . 1 1 26 26 ILE CD1 C 13 14.708 . . 1 . . . A 26 ILE CD1 . 17571 1 187 . 1 1 26 26 ILE N N 15 118.170 . . 1 . . . A 26 ILE N . 17571 1 188 . 1 1 27 27 CYS H H 1 8.835 . . 1 . . . A 27 CYS H . 17571 1 189 . 1 1 27 27 CYS HA H 1 5.445 . . 1 . . . A 27 CYS HA . 17571 1 190 . 1 1 27 27 CYS HB2 H 1 2.820 . . 2 . . . A 27 CYS HB2 . 17571 1 191 . 1 1 27 27 CYS CA C 13 54.318 . . 1 . . . A 27 CYS CA . 17571 1 192 . 1 1 27 27 CYS CB C 13 45.525 . . 1 . . . A 27 CYS CB . 17571 1 193 . 1 1 27 27 CYS N N 15 127.447 . . 1 . . . A 27 CYS N . 17571 1 194 . 1 1 28 28 CYS H H 1 9.097 . . 1 . . . A 28 CYS H . 17571 1 195 . 1 1 28 28 CYS HA H 1 6.140 . . 1 . . . A 28 CYS HA . 17571 1 196 . 1 1 28 28 CYS HB2 H 1 3.007 . . 2 . . . A 28 CYS HB2 . 17571 1 197 . 1 1 28 28 CYS HB3 H 1 2.599 . . 2 . . . A 28 CYS HB3 . 17571 1 198 . 1 1 28 28 CYS CA C 13 55.597 . . 1 . . . A 28 CYS CA . 17571 1 199 . 1 1 28 28 CYS CB C 13 50.803 . . 1 . . . A 28 CYS CB . 17571 1 200 . 1 1 28 28 CYS N N 15 124.211 . . 1 . . . A 28 CYS N . 17571 1 201 . 1 1 29 29 GLY H H 1 8.748 . . 1 . . . A 29 GLY H . 17571 1 202 . 1 1 29 29 GLY HA2 H 1 4.771 . . 2 . . . A 29 GLY HA2 . 17571 1 203 . 1 1 29 29 GLY HA3 H 1 4.019 . . 2 . . . A 29 GLY HA3 . 17571 1 204 . 1 1 29 29 GLY CA C 13 45.660 . . 1 . . . A 29 GLY CA . 17571 1 205 . 1 1 29 29 GLY N N 15 108.586 . . 1 . . . A 29 GLY N . 17571 1 206 . 1 1 30 30 ASP H H 1 8.197 . . 1 . . . A 30 ASP H . 17571 1 207 . 1 1 30 30 ASP HA H 1 4.690 . . 1 . . . A 30 ASP HA . 17571 1 208 . 1 1 30 30 ASP HB2 H 1 2.679 . . 2 . . . A 30 ASP HB2 . 17571 1 209 . 1 1 30 30 ASP N N 15 119.482 . . 1 . . . A 30 ASP N . 17571 1 210 . 1 1 31 31 GLU H H 1 8.868 . . 1 . . . A 31 GLU H . 17571 1 211 . 1 1 31 31 GLU HA H 1 4.260 . . 1 . . . A 31 GLU HA . 17571 1 212 . 1 1 31 31 GLU HB2 H 1 2.133 . . 2 . . . A 31 GLU HB2 . 17571 1 213 . 1 1 31 31 GLU HB3 H 1 1.993 . . 2 . . . A 31 GLU HB3 . 17571 1 214 . 1 1 31 31 GLU HG2 H 1 2.280 . . 2 . . . A 31 GLU HG2 . 17571 1 215 . 1 1 31 31 GLU CA C 13 57.953 . . 1 . . . A 31 GLU CA . 17571 1 216 . 1 1 31 31 GLU N N 15 116.612 . . 1 . . . A 31 GLU N . 17571 1 217 . 1 1 32 32 LEU H H 1 7.487 . . 1 . . . A 32 LEU H . 17571 1 218 . 1 1 32 32 LEU HA H 1 4.296 . . 1 . . . A 32 LEU HA . 17571 1 219 . 1 1 32 32 LEU HB2 H 1 1.678 . . 2 . . . A 32 LEU HB2 . 17571 1 220 . 1 1 32 32 LEU HG H 1 1.562 . . 1 . . . A 32 LEU HG . 17571 1 221 . 1 1 32 32 LEU HD11 H 1 0.889 . . 4 . . . A 32 LEU HD11 . 17571 1 222 . 1 1 32 32 LEU HD12 H 1 0.889 . . 4 . . . A 32 LEU HD11 . 17571 1 223 . 1 1 32 32 LEU HD13 H 1 0.889 . . 4 . . . A 32 LEU HD11 . 17571 1 224 . 1 1 32 32 LEU CA C 13 55.271 . . 1 . . . A 32 LEU CA . 17571 1 225 . 1 1 32 32 LEU CB C 13 44.538 . . 1 . . . A 32 LEU CB . 17571 1 226 . 1 1 32 32 LEU CD1 C 13 24.951 . . 2 . . . A 32 LEU CD1 . 17571 1 227 . 1 1 32 32 LEU CD2 C 13 23.957 . . 2 . . . A 32 LEU CD2 . 17571 1 228 . 1 1 32 32 LEU N N 15 117.040 . . 1 . . . A 32 LEU N . 17571 1 229 . 1 1 33 33 GLY H H 1 7.907 . . 1 . . . A 33 GLY H . 17571 1 230 . 1 1 33 33 GLY HA2 H 1 4.076 . . 2 . . . A 33 GLY HA2 . 17571 1 231 . 1 1 33 33 GLY HA3 H 1 3.580 . . 2 . . . A 33 GLY HA3 . 17571 1 232 . 1 1 33 33 GLY CA C 13 44.679 . . 1 . . . A 33 GLY CA . 17571 1 233 . 1 1 33 33 GLY N N 15 106.889 . . 1 . . . A 33 GLY N . 17571 1 234 . 1 1 34 34 CYS H H 1 8.215 . . 1 . . . A 34 CYS H . 17571 1 235 . 1 1 34 34 CYS HA H 1 5.449 . . 1 . . . A 34 CYS HA . 17571 1 236 . 1 1 34 34 CYS HB2 H 1 2.613 . . 2 . . . A 34 CYS HB2 . 17571 1 237 . 1 1 34 34 CYS HB3 H 1 2.449 . . 2 . . . A 34 CYS HB3 . 17571 1 238 . 1 1 34 34 CYS CA C 13 55.595 . . 1 . . . A 34 CYS CA . 17571 1 239 . 1 1 34 34 CYS CB C 13 46.947 . . 1 . . . A 34 CYS CB . 17571 1 240 . 1 1 34 34 CYS N N 15 116.175 . . 1 . . . A 34 CYS N . 17571 1 241 . 1 1 35 35 PHE H H 1 9.224 . . 1 . . . A 35 PHE H . 17571 1 242 . 1 1 35 35 PHE HA H 1 4.620 . . 1 . . . A 35 PHE HA . 17571 1 243 . 1 1 35 35 PHE HB2 H 1 3.288 . . 2 . . . A 35 PHE HB2 . 17571 1 244 . 1 1 35 35 PHE HB3 H 1 2.654 . . 2 . . . A 35 PHE HB3 . 17571 1 245 . 1 1 35 35 PHE HD2 H 1 7.080 . . 3 . . . A 35 PHE HD2 . 17571 1 246 . 1 1 35 35 PHE HZ H 1 7.177 . . 1 . . . A 35 PHE HZ . 17571 1 247 . 1 1 35 35 PHE CA C 13 57.007 . . 1 . . . A 35 PHE CA . 17571 1 248 . 1 1 35 35 PHE CB C 13 40.732 . . 1 . . . A 35 PHE CB . 17571 1 249 . 1 1 35 35 PHE N N 15 122.727 . . 1 . . . A 35 PHE N . 17571 1 250 . 1 1 36 36 VAL H H 1 8.704 . . 1 . . . A 36 VAL H . 17571 1 251 . 1 1 36 36 VAL HA H 1 4.873 . . 1 . . . A 36 VAL HA . 17571 1 252 . 1 1 36 36 VAL HB H 1 2.009 . . 1 . . . A 36 VAL HB . 17571 1 253 . 1 1 36 36 VAL HG11 H 1 0.844 . . 4 . . . A 36 VAL HG11 . 17571 1 254 . 1 1 36 36 VAL HG12 H 1 0.844 . . 4 . . . A 36 VAL HG11 . 17571 1 255 . 1 1 36 36 VAL HG13 H 1 0.844 . . 4 . . . A 36 VAL HG11 . 17571 1 256 . 1 1 36 36 VAL HG21 H 1 0.792 . . 4 . . . A 36 VAL HG21 . 17571 1 257 . 1 1 36 36 VAL HG22 H 1 0.792 . . 4 . . . A 36 VAL HG21 . 17571 1 258 . 1 1 36 36 VAL HG23 H 1 0.792 . . 4 . . . A 36 VAL HG21 . 17571 1 259 . 1 1 36 36 VAL CA C 13 60.580 . . 1 . . . A 36 VAL CA . 17571 1 260 . 1 1 36 36 VAL CG2 C 13 20.958 . . 2 . . . A 36 VAL CG2 . 17571 1 261 . 1 1 36 36 VAL N N 15 123.504 . . 1 . . . A 36 VAL N . 17571 1 262 . 1 1 37 37 GLY H H 1 9.250 . . 1 . . . A 37 GLY H . 17571 1 263 . 1 1 37 37 GLY HA2 H 1 4.069 . . 2 . . . A 37 GLY HA2 . 17571 1 264 . 1 1 37 37 GLY HA3 H 1 3.895 . . 2 . . . A 37 GLY HA3 . 17571 1 265 . 1 1 37 37 GLY CA C 13 46.413 . . 1 . . . A 37 GLY CA . 17571 1 266 . 1 1 37 37 GLY N N 15 112.570 . . 1 . . . A 37 GLY N . 17571 1 267 . 1 1 38 38 THR H H 1 6.734 . . 1 . . . A 38 THR H . 17571 1 268 . 1 1 38 38 THR HA H 1 4.542 . . 1 . . . A 38 THR HA . 17571 1 269 . 1 1 38 38 THR HB H 1 4.702 . . 1 . . . A 38 THR HB . 17571 1 270 . 1 1 38 38 THR HG21 H 1 1.290 . . 1 . . . A 38 THR HG21 . 17571 1 271 . 1 1 38 38 THR HG22 H 1 1.290 . . 1 . . . A 38 THR HG21 . 17571 1 272 . 1 1 38 38 THR HG23 H 1 1.290 . . 1 . . . A 38 THR HG21 . 17571 1 273 . 1 1 38 38 THR CB C 13 71.140 . . 1 . . . A 38 THR CB . 17571 1 274 . 1 1 38 38 THR CG2 C 13 22.427 . . 1 . . . A 38 THR CG2 . 17571 1 275 . 1 1 38 38 THR N N 15 106.902 . . 1 . . . A 38 THR N . 17571 1 276 . 1 1 39 39 ALA H H 1 9.183 . . 1 . . . A 39 ALA H . 17571 1 277 . 1 1 39 39 ALA HA H 1 3.995 . . 1 . . . A 39 ALA HA . 17571 1 278 . 1 1 39 39 ALA HB1 H 1 1.373 . . 1 . . . A 39 ALA HB1 . 17571 1 279 . 1 1 39 39 ALA HB2 H 1 1.373 . . 1 . . . A 39 ALA HB1 . 17571 1 280 . 1 1 39 39 ALA HB3 H 1 1.373 . . 1 . . . A 39 ALA HB1 . 17571 1 281 . 1 1 39 39 ALA CB C 13 18.270 . . 1 . . . A 39 ALA CB . 17571 1 282 . 1 1 40 40 GLU H H 1 8.957 . . 1 . . . A 40 GLU H . 17571 1 283 . 1 1 40 40 GLU HA H 1 3.862 . . 1 . . . A 40 GLU HA . 17571 1 284 . 1 1 40 40 GLU HB2 H 1 1.267 . . 2 . . . A 40 GLU HB2 . 17571 1 285 . 1 1 40 40 GLU HG2 H 1 1.857 . . 2 . . . A 40 GLU HG2 . 17571 1 286 . 1 1 40 40 GLU CA C 13 59.944 . . 1 . . . A 40 GLU CA . 17571 1 287 . 1 1 40 40 GLU CB C 13 29.718 . . 1 . . . A 40 GLU CB . 17571 1 288 . 1 1 40 40 GLU CG C 13 36.691 . . 1 . . . A 40 GLU CG . 17571 1 289 . 1 1 40 40 GLU N N 15 116.001 . . 1 . . . A 40 GLU N . 17571 1 290 . 1 1 41 41 ALA H H 1 7.648 . . 1 . . . A 41 ALA H . 17571 1 291 . 1 1 41 41 ALA HA H 1 4.401 . . 1 . . . A 41 ALA HA . 17571 1 292 . 1 1 41 41 ALA HB1 H 1 1.268 . . 1 . . . A 41 ALA HB1 . 17571 1 293 . 1 1 41 41 ALA HB2 H 1 1.268 . . 1 . . . A 41 ALA HB1 . 17571 1 294 . 1 1 41 41 ALA HB3 H 1 1.268 . . 1 . . . A 41 ALA HB1 . 17571 1 295 . 1 1 41 41 ALA CA C 13 51.208 . . 1 . . . A 41 ALA CA . 17571 1 296 . 1 1 41 41 ALA CB C 13 20.156 . . 1 . . . A 41 ALA CB . 17571 1 297 . 1 1 41 41 ALA N N 15 117.808 . . 1 . . . A 41 ALA N . 17571 1 298 . 1 1 42 42 LEU H H 1 7.487 . . 1 . . . A 42 LEU H . 17571 1 299 . 1 1 42 42 LEU HA H 1 4.103 . . 1 . . . A 42 LEU HA . 17571 1 300 . 1 1 42 42 LEU HB2 H 1 1.753 . . 2 . . . A 42 LEU HB2 . 17571 1 301 . 1 1 42 42 LEU HG H 1 1.636 . . 1 . . . A 42 LEU HG . 17571 1 302 . 1 1 42 42 LEU HD11 H 1 0.838 . . 4 . . . A 42 LEU HD11 . 17571 1 303 . 1 1 42 42 LEU HD12 H 1 0.838 . . 4 . . . A 42 LEU HD11 . 17571 1 304 . 1 1 42 42 LEU HD13 H 1 0.838 . . 4 . . . A 42 LEU HD11 . 17571 1 305 . 1 1 42 42 LEU CA C 13 58.688 . . 1 . . . A 42 LEU CA . 17571 1 306 . 1 1 42 42 LEU CG C 13 27.207 . . 1 . . . A 42 LEU CG . 17571 1 307 . 1 1 42 42 LEU N N 15 121.657 . . 1 . . . A 42 LEU N . 17571 1 308 . 1 1 43 43 ARG H H 1 8.545 . . 1 . . . A 43 ARG H . 17571 1 309 . 1 1 43 43 ARG HA H 1 4.154 . . 1 . . . A 43 ARG HA . 17571 1 310 . 1 1 43 43 ARG HB2 H 1 1.845 . . 2 . . . A 43 ARG HB2 . 17571 1 311 . 1 1 43 43 ARG HG2 H 1 1.694 . . 2 . . . A 43 ARG HG2 . 17571 1 312 . 1 1 43 43 ARG HD2 H 1 3.271 . . 2 . . . A 43 ARG HD2 . 17571 1 313 . 1 1 43 43 ARG CA C 13 57.953 . . 1 . . . A 43 ARG CA . 17571 1 314 . 1 1 44 44 CYS H H 1 7.896 . . 1 . . . A 44 CYS H . 17571 1 315 . 1 1 44 44 CYS HA H 1 4.801 . . 1 . . . A 44 CYS HA . 17571 1 316 . 1 1 44 44 CYS HB2 H 1 3.809 . . 2 . . . A 44 CYS HB2 . 17571 1 317 . 1 1 44 44 CYS HB3 H 1 2.957 . . 2 . . . A 44 CYS HB3 . 17571 1 318 . 1 1 44 44 CYS CA C 13 53.542 . . 1 . . . A 44 CYS CA . 17571 1 319 . 1 1 44 44 CYS CB C 13 34.983 . . 1 . . . A 44 CYS CB . 17571 1 320 . 1 1 44 44 CYS N N 15 115.238 . . 1 . . . A 44 CYS N . 17571 1 321 . 1 1 45 45 GLN H H 1 7.883 . . 1 . . . A 45 GLN H . 17571 1 322 . 1 1 45 45 GLN HA H 1 4.282 . . 1 . . . A 45 GLN HA . 17571 1 323 . 1 1 45 45 GLN HB2 H 1 2.294 . . 2 . . . A 45 GLN HB2 . 17571 1 324 . 1 1 45 45 GLN HB3 H 1 2.188 . . 2 . . . A 45 GLN HB3 . 17571 1 325 . 1 1 45 45 GLN CA C 13 57.953 . . 1 . . . A 45 GLN CA . 17571 1 326 . 1 1 45 45 GLN N N 15 121.045 . . 1 . . . A 45 GLN N . 17571 1 327 . 1 1 46 46 GLU H H 1 7.972 . . 1 . . . A 46 GLU H . 17571 1 328 . 1 1 46 46 GLU HA H 1 4.236 . . 1 . . . A 46 GLU HA . 17571 1 329 . 1 1 46 46 GLU HB2 H 1 1.954 . . 2 . . . A 46 GLU HB2 . 17571 1 330 . 1 1 46 46 GLU HG2 H 1 2.050 . . 2 . . . A 46 GLU HG2 . 17571 1 331 . 1 1 46 46 GLU CA C 13 57.203 . . 1 . . . A 46 GLU CA . 17571 1 332 . 1 1 46 46 GLU N N 15 117.022 . . 1 . . . A 46 GLU N . 17571 1 333 . 1 1 47 47 GLU H H 1 7.590 . . 1 . . . A 47 GLU H . 17571 1 334 . 1 1 47 47 GLU HA H 1 4.264 . . 1 . . . A 47 GLU HA . 17571 1 335 . 1 1 47 47 GLU HG2 H 1 2.172 . . 2 . . . A 47 GLU HG2 . 17571 1 336 . 1 1 47 47 GLU CA C 13 56.001 . . 1 . . . A 47 GLU CA . 17571 1 337 . 1 1 47 47 GLU N N 15 120.072 . . 1 . . . A 47 GLU N . 17571 1 338 . 1 1 48 48 ASN H H 1 8.377 . . 1 . . . A 48 ASN H . 17571 1 339 . 1 1 48 48 ASN HA H 1 4.470 . . 1 . . . A 48 ASN HA . 17571 1 340 . 1 1 48 48 ASN HB2 H 1 2.561 . . 2 . . . A 48 ASN HB2 . 17571 1 341 . 1 1 48 48 ASN HB3 H 1 2.498 . . 2 . . . A 48 ASN HB3 . 17571 1 342 . 1 1 48 48 ASN CA C 13 53.240 . . 1 . . . A 48 ASN CA . 17571 1 343 . 1 1 48 48 ASN CB C 13 40.279 . . 1 . . . A 48 ASN CB . 17571 1 344 . 1 1 48 48 ASN N N 15 119.755 . . 1 . . . A 48 ASN N . 17571 1 345 . 1 1 49 49 TYR H H 1 8.337 . . 1 . . . A 49 TYR H . 17571 1 346 . 1 1 49 49 TYR HA H 1 4.496 . . 1 . . . A 49 TYR HA . 17571 1 347 . 1 1 49 49 TYR HB2 H 1 3.037 . . 2 . . . A 49 TYR HB2 . 17571 1 348 . 1 1 49 49 TYR HB3 H 1 2.729 . . 2 . . . A 49 TYR HB3 . 17571 1 349 . 1 1 49 49 TYR HD2 H 1 7.051 . . 3 . . . A 49 TYR HD2 . 17571 1 350 . 1 1 49 49 TYR HE2 H 1 7.146 . . 3 . . . A 49 TYR HE2 . 17571 1 351 . 1 1 49 49 TYR CA C 13 58.407 . . 1 . . . A 49 TYR CA . 17571 1 352 . 1 1 49 49 TYR CB C 13 39.894 . . 1 . . . A 49 TYR CB . 17571 1 353 . 1 1 49 49 TYR N N 15 120.060 . . 1 . . . A 49 TYR N . 17571 1 354 . 1 1 50 50 LEU H H 1 7.785 . . 1 . . . A 50 LEU H . 17571 1 355 . 1 1 50 50 LEU HA H 1 4.567 . . 1 . . . A 50 LEU HA . 17571 1 356 . 1 1 50 50 LEU HB2 H 1 1.467 . . 2 . . . A 50 LEU HB2 . 17571 1 357 . 1 1 50 50 LEU HG H 1 1.541 . . 1 . . . A 50 LEU HG . 17571 1 358 . 1 1 50 50 LEU HD11 H 1 0.906 . . 4 . . . A 50 LEU HD11 . 17571 1 359 . 1 1 50 50 LEU HD12 H 1 0.906 . . 4 . . . A 50 LEU HD11 . 17571 1 360 . 1 1 50 50 LEU HD13 H 1 0.906 . . 4 . . . A 50 LEU HD11 . 17571 1 361 . 1 1 50 50 LEU CA C 13 52.242 . . 1 . . . A 50 LEU CA . 17571 1 362 . 1 1 50 50 LEU CB C 13 44.141 . . 1 . . . A 50 LEU CB . 17571 1 363 . 1 1 50 50 LEU N N 15 121.117 . . 1 . . . A 50 LEU N . 17571 1 364 . 1 1 51 51 PRO HA H 1 4.300 . . 1 . . . A 51 PRO HA . 17571 1 365 . 1 1 51 51 PRO HB2 H 1 2.263 . . 2 . . . A 51 PRO HB2 . 17571 1 366 . 1 1 51 51 PRO HB3 H 1 1.962 . . 2 . . . A 51 PRO HB3 . 17571 1 367 . 1 1 51 51 PRO HG2 H 1 1.943 . . 2 . . . A 51 PRO HG2 . 17571 1 368 . 1 1 51 51 PRO HG3 H 1 1.931 . . 2 . . . A 51 PRO HG3 . 17571 1 369 . 1 1 51 51 PRO HD2 H 1 3.473 . . 2 . . . A 51 PRO HD2 . 17571 1 370 . 1 1 51 51 PRO HD3 H 1 3.270 . . 2 . . . A 51 PRO HD3 . 17571 1 371 . 1 1 51 51 PRO CA C 13 64.216 . . 1 . . . A 51 PRO CA . 17571 1 372 . 1 1 51 51 PRO CB C 13 32.171 . . 1 . . . A 51 PRO CB . 17571 1 373 . 1 1 51 51 PRO CD C 13 49.120 . . 1 . . . A 51 PRO CD . 17571 1 374 . 1 1 52 52 SER H H 1 8.117 . . 1 . . . A 52 SER H . 17571 1 375 . 1 1 52 52 SER HA H 1 4.497 . . 1 . . . A 52 SER HA . 17571 1 376 . 1 1 52 52 SER HB2 H 1 3.006 . . 2 . . . A 52 SER HB2 . 17571 1 377 . 1 1 52 52 SER CA C 13 56.726 . . 1 . . . A 52 SER CA . 17571 1 378 . 1 1 52 52 SER N N 15 115.812 . . 1 . . . A 52 SER N . 17571 1 379 . 1 1 53 53 PRO HG2 H 1 1.825 . . 2 . . . A 53 PRO HG2 . 17571 1 380 . 1 1 53 53 PRO HD2 H 1 3.531 . . 2 . . . A 53 PRO HD2 . 17571 1 381 . 1 1 53 53 PRO HD3 H 1 3.437 . . 2 . . . A 53 PRO HD3 . 17571 1 382 . 1 1 53 53 PRO CD C 13 50.106 . . 1 . . . A 53 PRO CD . 17571 1 383 . 1 1 54 54 CYS H H 1 8.064 . . 1 . . . A 54 CYS H . 17571 1 384 . 1 1 54 54 CYS HA H 1 4.226 . . 1 . . . A 54 CYS HA . 17571 1 385 . 1 1 54 54 CYS HB2 H 1 3.175 . . 2 . . . A 54 CYS HB2 . 17571 1 386 . 1 1 54 54 CYS HB3 H 1 2.988 . . 2 . . . A 54 CYS HB3 . 17571 1 387 . 1 1 54 54 CYS N N 15 119.884 . . 1 . . . A 54 CYS N . 17571 1 388 . 1 1 55 55 GLN H H 1 8.279 . . 1 . . . A 55 GLN H . 17571 1 389 . 1 1 55 55 GLN HA H 1 4.646 . . 1 . . . A 55 GLN HA . 17571 1 390 . 1 1 55 55 GLN HB2 H 1 2.719 . . 2 . . . A 55 GLN HB2 . 17571 1 391 . 1 1 55 55 GLN HB3 H 1 2.638 . . 2 . . . A 55 GLN HB3 . 17571 1 392 . 1 1 55 55 GLN CA C 13 53.593 . . 1 . . . A 55 GLN CA . 17571 1 393 . 1 1 55 55 GLN CB C 13 39.230 . . 1 . . . A 55 GLN CB . 17571 1 394 . 1 1 55 55 GLN N N 15 117.906 . . 1 . . . A 55 GLN N . 17571 1 395 . 1 1 56 56 SER H H 1 7.979 . . 1 . . . A 56 SER H . 17571 1 396 . 1 1 56 56 SER HA H 1 4.387 . . 1 . . . A 56 SER HA . 17571 1 397 . 1 1 56 56 SER HB2 H 1 3.871 . . 2 . . . A 56 SER HB2 . 17571 1 398 . 1 1 56 56 SER CA C 13 58.855 . . 1 . . . A 56 SER CA . 17571 1 399 . 1 1 56 56 SER N N 15 119.299 . . 1 . . . A 56 SER N . 17571 1 400 . 1 1 58 58 GLN H H 1 8.079 . . 1 . . . A 58 GLN H . 17571 1 401 . 1 1 58 58 GLN HA H 1 4.365 . . 1 . . . A 58 GLN HA . 17571 1 402 . 1 1 58 58 GLN HB2 H 1 1.962 . . 2 . . . A 58 GLN HB2 . 17571 1 403 . 1 1 58 58 GLN CA C 13 55.675 . . 1 . . . A 58 GLN CA . 17571 1 404 . 1 1 58 58 GLN CB C 13 29.956 . . 1 . . . A 58 GLN CB . 17571 1 405 . 1 1 58 58 GLN N N 15 119.263 . . 1 . . . A 58 GLN N . 17571 1 406 . 1 1 59 59 LYS H H 1 8.611 . . 1 . . . A 59 LYS H . 17571 1 407 . 1 1 59 59 LYS HA H 1 4.442 . . 1 . . . A 59 LYS HA . 17571 1 408 . 1 1 59 59 LYS HB2 H 1 1.683 . . 2 . . . A 59 LYS HB2 . 17571 1 409 . 1 1 59 59 LYS HG2 H 1 1.451 . . 2 . . . A 59 LYS HG2 . 17571 1 410 . 1 1 59 59 LYS HD2 H 1 1.559 . . 2 . . . A 59 LYS HD2 . 17571 1 411 . 1 1 59 59 LYS HE2 H 1 3.020 . . 2 . . . A 59 LYS HE2 . 17571 1 412 . 1 1 59 59 LYS CA C 13 55.120 . . 1 . . . A 59 LYS CA . 17571 1 413 . 1 1 59 59 LYS CB C 13 34.037 . . 1 . . . A 59 LYS CB . 17571 1 414 . 1 1 59 59 LYS N N 15 125.131 . . 1 . . . A 59 LYS N . 17571 1 415 . 1 1 60 60 PRO HA H 1 4.871 . . 1 . . . A 60 PRO HA . 17571 1 416 . 1 1 60 60 PRO HB2 H 1 2.329 . . 2 . . . A 60 PRO HB2 . 17571 1 417 . 1 1 60 60 PRO HB3 H 1 1.919 . . 2 . . . A 60 PRO HB3 . 17571 1 418 . 1 1 60 60 PRO HG2 H 1 2.037 . . 2 . . . A 60 PRO HG2 . 17571 1 419 . 1 1 60 60 PRO HD2 H 1 3.897 . . 2 . . . A 60 PRO HD2 . 17571 1 420 . 1 1 60 60 PRO HD3 H 1 3.639 . . 2 . . . A 60 PRO HD3 . 17571 1 421 . 1 1 60 60 PRO CA C 13 62.736 . . 1 . . . A 60 PRO CA . 17571 1 422 . 1 1 60 60 PRO CB C 13 32.956 . . 1 . . . A 60 PRO CB . 17571 1 423 . 1 1 60 60 PRO CD C 13 51.204 . . 1 . . . A 60 PRO CD . 17571 1 424 . 1 1 61 61 CYS H H 1 7.776 . . 1 . . . A 61 CYS H . 17571 1 425 . 1 1 61 61 CYS HA H 1 4.617 . . 1 . . . A 61 CYS HA . 17571 1 426 . 1 1 61 61 CYS HB2 H 1 3.142 . . 2 . . . A 61 CYS HB2 . 17571 1 427 . 1 1 61 61 CYS HB3 H 1 2.977 . . 2 . . . A 61 CYS HB3 . 17571 1 428 . 1 1 61 61 CYS CA C 13 54.160 . . 1 . . . A 61 CYS CA . 17571 1 429 . 1 1 61 61 CYS CB C 13 45.771 . . 1 . . . A 61 CYS CB . 17571 1 430 . 1 1 61 61 CYS N N 15 115.892 . . 1 . . . A 61 CYS N . 17571 1 431 . 1 1 62 62 GLY H H 1 9.075 . . 1 . . . A 62 GLY H . 17571 1 432 . 1 1 62 62 GLY HA2 H 1 3.741 . . 2 . . . A 62 GLY HA2 . 17571 1 433 . 1 1 62 62 GLY HA3 H 1 3.662 . . 2 . . . A 62 GLY HA3 . 17571 1 434 . 1 1 62 62 GLY CA C 13 46.937 . . 1 . . . A 62 GLY CA . 17571 1 435 . 1 1 62 62 GLY N N 15 108.604 . . 1 . . . A 62 GLY N . 17571 1 436 . 1 1 63 63 SER H H 1 8.854 . . 1 . . . A 63 SER H . 17571 1 437 . 1 1 63 63 SER HA H 1 4.717 . . 1 . . . A 63 SER HA . 17571 1 438 . 1 1 63 63 SER HB2 H 1 3.889 . . 2 . . . A 63 SER HB2 . 17571 1 439 . 1 1 63 63 SER HB3 H 1 3.758 . . 2 . . . A 63 SER HB3 . 17571 1 440 . 1 1 63 63 SER CB C 13 62.229 . . 1 . . . A 63 SER CB . 17571 1 441 . 1 1 63 63 SER N N 15 120.836 . . 1 . . . A 63 SER N . 17571 1 442 . 1 1 64 64 GLY HA2 H 1 4.031 . . 2 . . . A 64 GLY HA2 . 17571 1 443 . 1 1 64 64 GLY HA3 H 1 3.934 . . 2 . . . A 64 GLY HA3 . 17571 1 444 . 1 1 64 64 GLY CA C 13 45.758 . . 1 . . . A 64 GLY CA . 17571 1 445 . 1 1 65 65 GLY H H 1 7.903 . . 1 . . . A 65 GLY H . 17571 1 446 . 1 1 65 65 GLY HA2 H 1 4.695 . . 2 . . . A 65 GLY HA2 . 17571 1 447 . 1 1 65 65 GLY HA3 H 1 3.589 . . 2 . . . A 65 GLY HA3 . 17571 1 448 . 1 1 65 65 GLY CA C 13 44.736 . . 1 . . . A 65 GLY CA . 17571 1 449 . 1 1 65 65 GLY N N 15 107.819 . . 1 . . . A 65 GLY N . 17571 1 450 . 1 1 66 66 ARG H H 1 8.700 . . 1 . . . A 66 ARG H . 17571 1 451 . 1 1 66 66 ARG HA H 1 5.128 . . 1 . . . A 66 ARG HA . 17571 1 452 . 1 1 66 66 ARG HB2 H 1 1.688 . . 2 . . . A 66 ARG HB2 . 17571 1 453 . 1 1 66 66 ARG HB3 H 1 1.639 . . 2 . . . A 66 ARG HB3 . 17571 1 454 . 1 1 66 66 ARG HD2 H 1 3.121 . . 2 . . . A 66 ARG HD2 . 17571 1 455 . 1 1 66 66 ARG HD3 H 1 3.114 . . 2 . . . A 66 ARG HD3 . 17571 1 456 . 1 1 66 66 ARG CA C 13 54.237 . . 1 . . . A 66 ARG CA . 17571 1 457 . 1 1 66 66 ARG CB C 13 34.630 . . 1 . . . A 66 ARG CB . 17571 1 458 . 1 1 66 66 ARG CD C 13 43.293 . . 1 . . . A 66 ARG CD . 17571 1 459 . 1 1 66 66 ARG N N 15 118.028 . . 1 . . . A 66 ARG N . 17571 1 460 . 1 1 67 67 CYS H H 1 9.041 . . 1 . . . A 67 CYS H . 17571 1 461 . 1 1 67 67 CYS HA H 1 5.172 . . 1 . . . A 67 CYS HA . 17571 1 462 . 1 1 67 67 CYS HB2 H 1 3.053 . . 2 . . . A 67 CYS HB2 . 17571 1 463 . 1 1 67 67 CYS HB3 H 1 2.803 . . 2 . . . A 67 CYS HB3 . 17571 1 464 . 1 1 67 67 CYS CA C 13 54.331 . . 1 . . . A 67 CYS CA . 17571 1 465 . 1 1 67 67 CYS CB C 13 34.888 . . 1 . . . A 67 CYS CB . 17571 1 466 . 1 1 67 67 CYS N N 15 122.716 . . 1 . . . A 67 CYS N . 17571 1 467 . 1 1 68 68 ALA H H 1 8.126 . . 1 . . . A 68 ALA H . 17571 1 468 . 1 1 68 68 ALA HA H 1 3.963 . . 1 . . . A 68 ALA HA . 17571 1 469 . 1 1 68 68 ALA HB1 H 1 0.692 . . 1 . . . A 68 ALA HB1 . 17571 1 470 . 1 1 68 68 ALA HB2 H 1 0.692 . . 1 . . . A 68 ALA HB1 . 17571 1 471 . 1 1 68 68 ALA HB3 H 1 0.692 . . 1 . . . A 68 ALA HB1 . 17571 1 472 . 1 1 68 68 ALA CA C 13 52.739 . . 1 . . . A 68 ALA CA . 17571 1 473 . 1 1 68 68 ALA CB C 13 21.663 . . 1 . . . A 68 ALA CB . 17571 1 474 . 1 1 68 68 ALA N N 15 130.687 . . 1 . . . A 68 ALA N . 17571 1 475 . 1 1 69 69 ALA H H 1 7.814 . . 1 . . . A 69 ALA H . 17571 1 476 . 1 1 69 69 ALA HA H 1 4.229 . . 1 . . . A 69 ALA HA . 17571 1 477 . 1 1 69 69 ALA HB1 H 1 1.187 . . 1 . . . A 69 ALA HB1 . 17571 1 478 . 1 1 69 69 ALA HB2 H 1 1.187 . . 1 . . . A 69 ALA HB1 . 17571 1 479 . 1 1 69 69 ALA HB3 H 1 1.187 . . 1 . . . A 69 ALA HB1 . 17571 1 480 . 1 1 69 69 ALA CA C 13 50.336 . . 1 . . . A 69 ALA CA . 17571 1 481 . 1 1 69 69 ALA CB C 13 21.874 . . 1 . . . A 69 ALA CB . 17571 1 482 . 1 1 69 69 ALA N N 15 116.818 . . 1 . . . A 69 ALA N . 17571 1 483 . 1 1 70 70 ALA H H 1 8.567 . . 1 . . . A 70 ALA H . 17571 1 484 . 1 1 70 70 ALA HA H 1 4.025 . . 1 . . . A 70 ALA HA . 17571 1 485 . 1 1 70 70 ALA HB1 H 1 1.345 . . 1 . . . A 70 ALA HB1 . 17571 1 486 . 1 1 70 70 ALA HB2 H 1 1.345 . . 1 . . . A 70 ALA HB1 . 17571 1 487 . 1 1 70 70 ALA HB3 H 1 1.345 . . 1 . . . A 70 ALA HB1 . 17571 1 488 . 1 1 70 70 ALA CA C 13 54.378 . . 1 . . . A 70 ALA CA . 17571 1 489 . 1 1 70 70 ALA CB C 13 17.545 . . 1 . . . A 70 ALA CB . 17571 1 490 . 1 1 70 70 ALA N N 15 122.449 . . 1 . . . A 70 ALA N . 17571 1 491 . 1 1 71 71 GLY H H 1 7.869 . . 1 . . . A 71 GLY H . 17571 1 492 . 1 1 71 71 GLY HA2 H 1 4.089 . . 2 . . . A 71 GLY HA2 . 17571 1 493 . 1 1 71 71 GLY HA3 H 1 3.568 . . 2 . . . A 71 GLY HA3 . 17571 1 494 . 1 1 71 71 GLY CA C 13 46.461 . . 1 . . . A 71 GLY CA . 17571 1 495 . 1 1 71 71 GLY N N 15 110.484 . . 1 . . . A 71 GLY N . 17571 1 496 . 1 1 72 72 ILE H H 1 8.036 . . 1 . . . A 72 ILE H . 17571 1 497 . 1 1 72 72 ILE HB H 1 1.464 . . 1 . . . A 72 ILE HB . 17571 1 498 . 1 1 72 72 ILE HG12 H 1 0.890 . . 9 . . . A 72 ILE HG12 . 17571 1 499 . 1 1 72 72 ILE HG13 H 1 1.242 . . 9 . . . A 72 ILE HG13 . 17571 1 500 . 1 1 72 72 ILE HG21 H 1 0.648 . . 4 . . . A 72 ILE HG21 . 17571 1 501 . 1 1 72 72 ILE HG22 H 1 0.648 . . 4 . . . A 72 ILE HG21 . 17571 1 502 . 1 1 72 72 ILE HG23 H 1 0.648 . . 4 . . . A 72 ILE HG21 . 17571 1 503 . 1 1 72 72 ILE HD11 H 1 0.611 . . 1 . . . A 72 ILE HD11 . 17571 1 504 . 1 1 72 72 ILE HD12 H 1 0.611 . . 1 . . . A 72 ILE HD11 . 17571 1 505 . 1 1 72 72 ILE HD13 H 1 0.611 . . 1 . . . A 72 ILE HD11 . 17571 1 506 . 1 1 72 72 ILE CA C 13 60.532 . . 1 . . . A 72 ILE CA . 17571 1 507 . 1 1 72 72 ILE CB C 13 40.559 . . 1 . . . A 72 ILE CB . 17571 1 508 . 1 1 72 72 ILE CG1 C 13 26.818 . . 1 . . . A 72 ILE CG1 . 17571 1 509 . 1 1 72 72 ILE CG2 C 13 19.684 . . 1 . . . A 72 ILE CG2 . 17571 1 510 . 1 1 72 72 ILE CD1 C 13 12.216 . . 1 . . . A 72 ILE CD1 . 17571 1 511 . 1 1 72 72 ILE N N 15 122.397 . . 1 . . . A 72 ILE N . 17571 1 512 . 1 1 73 73 CYS H H 1 9.018 . . 1 . . . A 73 CYS H . 17571 1 513 . 1 1 73 73 CYS HA H 1 5.048 . . 1 . . . A 73 CYS HA . 17571 1 514 . 1 1 73 73 CYS HB2 H 1 3.122 . . 2 . . . A 73 CYS HB2 . 17571 1 515 . 1 1 73 73 CYS HB3 H 1 3.013 . . 2 . . . A 73 CYS HB3 . 17571 1 516 . 1 1 73 73 CYS CA C 13 54.953 . . 1 . . . A 73 CYS CA . 17571 1 517 . 1 1 73 73 CYS CB C 13 45.463 . . 1 . . . A 73 CYS CB . 17571 1 518 . 1 1 73 73 CYS N N 15 126.325 . . 1 . . . A 73 CYS N . 17571 1 519 . 1 1 74 74 CYS H H 1 8.894 . . 1 . . . A 74 CYS H . 17571 1 520 . 1 1 74 74 CYS HA H 1 5.540 . . 1 . . . A 74 CYS HA . 17571 1 521 . 1 1 74 74 CYS HB2 H 1 2.793 . . 2 . . . A 74 CYS HB2 . 17571 1 522 . 1 1 74 74 CYS HB3 H 1 2.523 . . 2 . . . A 74 CYS HB3 . 17571 1 523 . 1 1 74 74 CYS CA C 13 56.355 . . 1 . . . A 74 CYS CA . 17571 1 524 . 1 1 74 74 CYS CB C 13 46.616 . . 1 . . . A 74 CYS CB . 17571 1 525 . 1 1 74 74 CYS N N 15 126.806 . . 1 . . . A 74 CYS N . 17571 1 526 . 1 1 75 75 SER H H 1 9.258 . . 1 . . . A 75 SER H . 17571 1 527 . 1 1 75 75 SER HA H 1 5.002 . . 1 . . . A 75 SER HA . 17571 1 528 . 1 1 75 75 SER HB2 H 1 4.268 . . 2 . . . A 75 SER HB2 . 17571 1 529 . 1 1 75 75 SER HB3 H 1 3.800 . . 2 . . . A 75 SER HB3 . 17571 1 530 . 1 1 75 75 SER CA C 13 56.929 . . 1 . . . A 75 SER CA . 17571 1 531 . 1 1 75 75 SER CB C 13 65.189 . . 1 . . . A 75 SER CB . 17571 1 532 . 1 1 75 75 SER N N 15 123.680 . . 1 . . . A 75 SER N . 17571 1 533 . 1 1 76 76 PRO HA H 1 4.352 . . 1 . . . A 76 PRO HA . 17571 1 534 . 1 1 76 76 PRO HB2 H 1 2.224 . . 2 . . . A 76 PRO HB2 . 17571 1 535 . 1 1 76 76 PRO HB3 H 1 1.868 . . 2 . . . A 76 PRO HB3 . 17571 1 536 . 1 1 76 76 PRO HD2 H 1 3.833 . . 2 . . . A 76 PRO HD2 . 17571 1 537 . 1 1 76 76 PRO CA C 13 65.745 . . 1 . . . A 76 PRO CA . 17571 1 538 . 1 1 76 76 PRO CB C 13 32.099 . . 1 . . . A 76 PRO CB . 17571 1 539 . 1 1 77 77 ASP H H 1 7.752 . . 1 . . . A 77 ASP H . 17571 1 540 . 1 1 77 77 ASP HA H 1 4.656 . . 1 . . . A 77 ASP HA . 17571 1 541 . 1 1 77 77 ASP HB2 H 1 2.726 . . 2 . . . A 77 ASP HB2 . 17571 1 542 . 1 1 77 77 ASP HB3 H 1 2.332 . . 2 . . . A 77 ASP HB3 . 17571 1 543 . 1 1 77 77 ASP CA C 13 54.671 . . 1 . . . A 77 ASP CA . 17571 1 544 . 1 1 77 77 ASP CB C 13 41.891 . . 1 . . . A 77 ASP CB . 17571 1 545 . 1 1 77 77 ASP N N 15 112.440 . . 1 . . . A 77 ASP N . 17571 1 546 . 1 1 78 78 GLY H H 1 7.736 . . 1 . . . A 78 GLY H . 17571 1 547 . 1 1 78 78 GLY HA2 H 1 4.519 . . 2 . . . A 78 GLY HA2 . 17571 1 548 . 1 1 78 78 GLY HA3 H 1 3.615 . . 2 . . . A 78 GLY HA3 . 17571 1 549 . 1 1 78 78 GLY CA C 13 44.938 . . 1 . . . A 78 GLY CA . 17571 1 550 . 1 1 78 78 GLY N N 15 108.295 . . 1 . . . A 78 GLY N . 17571 1 551 . 1 1 79 79 CYS H H 1 8.536 . . 1 . . . A 79 CYS H . 17571 1 552 . 1 1 79 79 CYS HA H 1 5.771 . . 1 . . . A 79 CYS HA . 17571 1 553 . 1 1 79 79 CYS HB2 H 1 2.839 . . 2 . . . A 79 CYS HB2 . 17571 1 554 . 1 1 79 79 CYS HB3 H 1 2.562 . . 2 . . . A 79 CYS HB3 . 17571 1 555 . 1 1 79 79 CYS CA C 13 55.745 . . 1 . . . A 79 CYS CA . 17571 1 556 . 1 1 79 79 CYS CB C 13 47.298 . . 1 . . . A 79 CYS CB . 17571 1 557 . 1 1 79 79 CYS N N 15 117.388 . . 1 . . . A 79 CYS N . 17571 1 558 . 1 1 80 80 GLU H H 1 8.890 . . 1 . . . A 80 GLU H . 17571 1 559 . 1 1 80 80 GLU HA H 1 4.615 . . 1 . . . A 80 GLU HA . 17571 1 560 . 1 1 80 80 GLU HB2 H 1 2.023 . . 2 . . . A 80 GLU HB2 . 17571 1 561 . 1 1 80 80 GLU HG2 H 1 2.151 . . 2 . . . A 80 GLU HG2 . 17571 1 562 . 1 1 80 80 GLU HG3 H 1 2.122 . . 2 . . . A 80 GLU HG3 . 17571 1 563 . 1 1 80 80 GLU CA C 13 54.306 . . 1 . . . A 80 GLU CA . 17571 1 564 . 1 1 80 80 GLU CG C 13 34.206 . . 1 . . . A 80 GLU CG . 17571 1 565 . 1 1 80 80 GLU N N 15 120.153 . . 1 . . . A 80 GLU N . 17571 1 566 . 1 1 81 81 GLU H H 1 8.708 . . 1 . . . A 81 GLU H . 17571 1 567 . 1 1 81 81 GLU HA H 1 4.501 . . 1 . . . A 81 GLU HA . 17571 1 568 . 1 1 81 81 GLU HB2 H 1 1.931 . . 2 . . . A 81 GLU HB2 . 17571 1 569 . 1 1 81 81 GLU HB3 H 1 1.996 . . 2 . . . A 81 GLU HB3 . 17571 1 570 . 1 1 81 81 GLU HG2 H 1 2.249 . . 2 . . . A 81 GLU HG2 . 17571 1 571 . 1 1 81 81 GLU HG3 H 1 2.170 . . 2 . . . A 81 GLU HG3 . 17571 1 572 . 1 1 81 81 GLU CA C 13 57.449 . . 1 . . . A 81 GLU CA . 17571 1 573 . 1 1 81 81 GLU CB C 13 29.456 . . 1 . . . A 81 GLU CB . 17571 1 574 . 1 1 81 81 GLU CG C 13 37.057 . . 1 . . . A 81 GLU CG . 17571 1 575 . 1 1 81 81 GLU N N 15 122.527 . . 1 . . . A 81 GLU N . 17571 1 576 . 1 1 82 82 ASP H H 1 8.166 . . 1 . . . A 82 ASP H . 17571 1 577 . 1 1 82 82 ASP HA H 1 4.932 . . 1 . . . A 82 ASP HA . 17571 1 578 . 1 1 82 82 ASP HB2 H 1 2.537 . . 2 . . . A 82 ASP HB2 . 17571 1 579 . 1 1 82 82 ASP HB3 H 1 2.391 . . 2 . . . A 82 ASP HB3 . 17571 1 580 . 1 1 82 82 ASP CA C 13 51.454 . . 1 . . . A 82 ASP CA . 17571 1 581 . 1 1 82 82 ASP CB C 13 45.463 . . 1 . . . A 82 ASP CB . 17571 1 582 . 1 1 82 82 ASP N N 15 122.896 . . 1 . . . A 82 ASP N . 17571 1 583 . 1 1 83 83 PRO HA H 1 4.482 . . 1 . . . A 83 PRO HA . 17571 1 584 . 1 1 83 83 PRO HB2 H 1 2.396 . . 2 . . . A 83 PRO HB2 . 17571 1 585 . 1 1 83 83 PRO HB3 H 1 2.014 . . 2 . . . A 83 PRO HB3 . 17571 1 586 . 1 1 83 83 PRO HG2 H 1 1.989 . . 2 . . . A 83 PRO HG2 . 17571 1 587 . 1 1 83 83 PRO HG3 H 1 2.022 . . 2 . . . A 83 PRO HG3 . 17571 1 588 . 1 1 83 83 PRO HD2 H 1 4.023 . . 2 . . . A 83 PRO HD2 . 17571 1 589 . 1 1 83 83 PRO HD3 H 1 3.761 . . 2 . . . A 83 PRO HD3 . 17571 1 590 . 1 1 83 83 PRO CA C 13 64.102 . . 1 . . . A 83 PRO CA . 17571 1 591 . 1 1 83 83 PRO CB C 13 32.443 . . 1 . . . A 83 PRO CB . 17571 1 592 . 1 1 83 83 PRO CG C 13 27.388 . . 1 . . . A 83 PRO CG . 17571 1 593 . 1 1 83 83 PRO CD C 13 51.692 . . 1 . . . A 83 PRO CD . 17571 1 594 . 1 1 84 84 ALA H H 1 8.968 . . 1 . . . A 84 ALA H . 17571 1 595 . 1 1 84 84 ALA HA H 1 4.156 . . 1 . . . A 84 ALA HA . 17571 1 596 . 1 1 84 84 ALA HB1 H 1 1.359 . . 1 . . . A 84 ALA HB1 . 17571 1 597 . 1 1 84 84 ALA HB2 H 1 1.359 . . 1 . . . A 84 ALA HB1 . 17571 1 598 . 1 1 84 84 ALA HB3 H 1 1.359 . . 1 . . . A 84 ALA HB1 . 17571 1 599 . 1 1 84 84 ALA CA C 13 54.138 . . 1 . . . A 84 ALA CA . 17571 1 600 . 1 1 84 84 ALA CB C 13 18.482 . . 1 . . . A 84 ALA CB . 17571 1 601 . 1 1 84 84 ALA N N 15 122.647 . . 1 . . . A 84 ALA N . 17571 1 602 . 1 1 85 85 CYS H H 1 8.040 . . 1 . . . A 85 CYS H . 17571 1 603 . 1 1 85 85 CYS HA H 1 4.997 . . 1 . . . A 85 CYS HA . 17571 1 604 . 1 1 85 85 CYS HB2 H 1 3.447 . . 2 . . . A 85 CYS HB2 . 17571 1 605 . 1 1 85 85 CYS HB3 H 1 2.458 . . 2 . . . A 85 CYS HB3 . 17571 1 606 . 1 1 85 85 CYS CA C 13 52.078 . . 1 . . . A 85 CYS CA . 17571 1 607 . 1 1 85 85 CYS CB C 13 35.985 . . 1 . . . A 85 CYS CB . 17571 1 608 . 1 1 85 85 CYS N N 15 112.661 . . 1 . . . A 85 CYS N . 17571 1 609 . 1 1 87 87 PRO HA H 1 4.380 . . 1 . . . A 87 PRO HA . 17571 1 610 . 1 1 87 87 PRO HB2 H 1 2.333 . . 2 . . . A 87 PRO HB2 . 17571 1 611 . 1 1 87 87 PRO HB3 H 1 1.941 . . 2 . . . A 87 PRO HB3 . 17571 1 612 . 1 1 87 87 PRO HG2 H 1 2.106 . . 2 . . . A 87 PRO HG2 . 17571 1 613 . 1 1 87 87 PRO HD2 H 1 3.794 . . 2 . . . A 87 PRO HD2 . 17571 1 614 . 1 1 87 87 PRO CA C 13 63.995 . . 1 . . . A 87 PRO CA . 17571 1 615 . 1 1 87 87 PRO CB C 13 32.426 . . 1 . . . A 87 PRO CB . 17571 1 616 . 1 1 87 87 PRO CD C 13 50.954 . . 1 . . . A 87 PRO CD . 17571 1 617 . 1 1 88 88 GLU H H 1 8.508 . . 1 . . . A 88 GLU H . 17571 1 618 . 1 1 88 88 GLU HA H 1 4.210 . . 1 . . . A 88 GLU HA . 17571 1 619 . 1 1 88 88 GLU HB2 H 1 2.079 . . 2 . . . A 88 GLU HB2 . 17571 1 620 . 1 1 88 88 GLU HB3 H 1 1.915 . . 2 . . . A 88 GLU HB3 . 17571 1 621 . 1 1 88 88 GLU HG2 H 1 2.245 . . 2 . . . A 88 GLU HG2 . 17571 1 622 . 1 1 88 88 GLU HG3 H 1 2.298 . . 2 . . . A 88 GLU HG3 . 17571 1 623 . 1 1 88 88 GLU CA C 13 56.756 . . 1 . . . A 88 GLU CA . 17571 1 624 . 1 1 88 88 GLU CB C 13 29.877 . . 1 . . . A 88 GLU CB . 17571 1 625 . 1 1 88 88 GLU CG C 13 36.753 . . 1 . . . A 88 GLU CG . 17571 1 626 . 1 1 88 88 GLU N N 15 119.738 . . 1 . . . A 88 GLU N . 17571 1 627 . 1 1 89 89 ALA H H 1 8.032 . . 1 . . . A 89 ALA H . 17571 1 628 . 1 1 89 89 ALA HA H 1 4.268 . . 1 . . . A 89 ALA HA . 17571 1 629 . 1 1 89 89 ALA HB1 H 1 1.341 . . 1 . . . A 89 ALA HB1 . 17571 1 630 . 1 1 89 89 ALA HB2 H 1 1.341 . . 1 . . . A 89 ALA HB1 . 17571 1 631 . 1 1 89 89 ALA HB3 H 1 1.341 . . 1 . . . A 89 ALA HB1 . 17571 1 632 . 1 1 89 89 ALA CA C 13 52.379 . . 1 . . . A 89 ALA CA . 17571 1 633 . 1 1 89 89 ALA CB C 13 19.324 . . 1 . . . A 89 ALA CB . 17571 1 634 . 1 1 89 89 ALA N N 15 124.541 . . 1 . . . A 89 ALA N . 17571 1 635 . 1 1 90 90 ALA H H 1 8.079 . . 1 . . . A 90 ALA H . 17571 1 636 . 1 1 90 90 ALA HA H 1 4.266 . . 1 . . . A 90 ALA HA . 17571 1 637 . 1 1 90 90 ALA HB1 H 1 1.248 . . 1 . . . A 90 ALA HB1 . 17571 1 638 . 1 1 90 90 ALA HB2 H 1 1.248 . . 1 . . . A 90 ALA HB1 . 17571 1 639 . 1 1 90 90 ALA HB3 H 1 1.248 . . 1 . . . A 90 ALA HB1 . 17571 1 640 . 1 1 90 90 ALA CA C 13 52.371 . . 1 . . . A 90 ALA CA . 17571 1 641 . 1 1 90 90 ALA CB C 13 19.324 . . 1 . . . A 90 ALA CB . 17571 1 642 . 1 1 90 90 ALA N N 15 123.046 . . 1 . . . A 90 ALA N . 17571 1 643 . 1 1 91 91 PHE H H 1 8.076 . . 1 . . . A 91 PHE H . 17571 1 644 . 1 1 91 91 PHE HA H 1 4.698 . . 1 . . . A 91 PHE HA . 17571 1 645 . 1 1 91 91 PHE HB2 H 1 3.175 . . 2 . . . A 91 PHE HB2 . 17571 1 646 . 1 1 91 91 PHE HB3 H 1 3.052 . . 2 . . . A 91 PHE HB3 . 17571 1 647 . 1 1 91 91 PHE CA C 13 57.684 . . 1 . . . A 91 PHE CA . 17571 1 648 . 1 1 91 91 PHE CB C 13 39.628 . . 1 . . . A 91 PHE CB . 17571 1 649 . 1 1 91 91 PHE N N 15 119.192 . . 1 . . . A 91 PHE N . 17571 1 650 . 1 1 92 92 SER H H 1 7.773 . . 1 . . . A 92 SER H . 17571 1 651 . 1 1 92 92 SER HA H 1 4.234 . . 1 . . . A 92 SER HA . 17571 1 652 . 1 1 92 92 SER HB2 H 1 3.876 . . 2 . . . A 92 SER HB2 . 17571 1 653 . 1 1 92 92 SER CA C 13 60.203 . . 1 . . . A 92 SER CA . 17571 1 654 . 1 1 92 92 SER CB C 13 65.255 . . 1 . . . A 92 SER CB . 17571 1 655 . 1 1 92 92 SER N N 15 122.412 . . 1 . . . A 92 SER N . 17571 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 3 17571 1 1 4 17571 1 1 5 17571 1 2 11 17571 1 2 12 17571 1 2 13 17571 1 3 27 17571 1 3 28 17571 1 3 29 17571 1 4 42 17571 1 4 43 17571 1 4 44 17571 1 5 74 17571 1 5 75 17571 1 5 76 17571 1 6 177 17571 1 6 178 17571 1 6 179 17571 1 6 180 17571 1 7 221 17571 1 7 222 17571 1 7 223 17571 1 8 253 17571 1 8 254 17571 1 8 255 17571 1 8 256 17571 1 8 257 17571 1 8 258 17571 1 9 302 17571 1 9 303 17571 1 9 304 17571 1 10 358 17571 1 10 359 17571 1 10 360 17571 1 11 500 17571 1 11 501 17571 1 11 502 17571 1 stop_ save_