data_16040 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16040 _Entry.Title ; Solution structure of onconase C87A/C104A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-21 _Entry.Accession_date 2008-11-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Ulrich Weininger . . . 16040 2 Cindy Schulenburg . . . 16040 3 Ulrich Arnold . . . 16040 4 Renate Ulbrich-Hofmann . . . 16040 5 Jochen Balbach . . . 16040 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 . 'not applicable' 'not applicable' . 16040 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 16040 RNase . 16040 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16040 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 109 16040 '1H chemical shifts' 744 16040 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 3 . . 2010-05-27 2008-11-21 update BMRB 'edit entity/assembly name' 16040 2 . . 2010-04-26 2008-11-21 update BMRB 'update atom names of PCA' 16040 1 . . 2009-11-02 2008-11-21 original author 'original release' 16040 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KB6 'BMRB Entry Tracking System' 16040 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16040 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19655705 _Citation.Full_citation . _Citation.Title 'The folding pathway of onconase is directed by a conserved intermediate' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 35 _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 8449 _Citation.Page_last 8457 _Citation.Year 2009 _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 Cindy Schulenburg . . . 16040 1 2 Christian Low . . . 16040 1 3 Ulrich Weininger . . . 16040 1 4 Carmen Mrestani-Klaus . . . 16040 1 5 Hagen Hofmann . . . 16040 1 6 Jochen Balbach . . . 16040 1 7 Renate Ulbrich-Hofmann . . . 16040 1 8 Ulrich Arnold . . . 16040 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16040 _Assembly.ID 1 _Assembly.Name 'onconase C87A/C104A' _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 'onconase C87A/C104A' 1 $entity A . yes native no no . . . 16040 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide 1 . 1 entity 1 CYS 19 19 SG . 1 entity 1 CYS 68 68 SG . entity 19 CYS SG . entity 68 CYS SG 16040 1 2 disulfide 1 . 1 entity 1 CYS 30 30 SG . 1 entity 1 CYS 75 75 SG . entity 30 CYS SG . entity 75 CYS SG 16040 1 3 disulfide 1 . 1 entity 1 CYS 48 48 SG . 1 entity 1 CYS 90 90 SG . entity 48 CYS SG . entity 90 CYS SG 16040 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16040 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'onconase C87A/C104A' _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 ; XDWLTFQKKHITNTRDVDCD NIMSTNLFHCKDKNTFIYSR PEPVKAICKGIIASKNVLTT SEFYLSDCNVTSRPCKYKLK KSTNKFAVTCENQAPVHFVG VGSA ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11781.603 _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 4371 . "Recombinant Onconase/ranpirnase" . . . . . 98.08 105 98.04 99.02 9.41e-67 . . . . 16040 1 2 no PDB 1ONC . "The Refined 1.7 Angstroms X-Ray Crystallographic Structure Of P-30, An Amphibian Ribonuclease With Anti-Tumor Activity" . . . . . 98.08 104 99.02 99.02 3.65e-67 . . . . 16040 1 3 no PDB 1PU3 . "The Solution Nmr Structure And Dynamics Of A Recombinant Onconase With Altered N-Terminal And Met23 Residues" . . . . . 98.08 105 98.04 99.02 9.41e-67 . . . . 16040 1 4 no PDB 1YV4 . "X-Ray Structure Of M23l Onconase At 100k" . . . . . 98.08 104 98.04 99.02 1.29e-66 . . . . 16040 1 5 no PDB 1YV6 . "X-Ray Structure Of M23l Onconase At 298k" . . . . . 98.08 104 98.04 99.02 1.29e-66 . . . . 16040 1 6 no PDB 1YV7 . "X-Ray Structure Of (C87s,Des103-104) Onconase" . . . . . 97.12 102 99.01 100.00 3.55e-67 . . . . 16040 1 7 no PDB 2GMK . "Crystal Structure Of Onconase Double Mutant With Spontaneously-Assembled (Amp) 4 Stack" . . . . . 98.08 104 97.06 97.06 1.49e-65 . . . . 16040 1 8 no PDB 2I5S . "Crystal Structure Of Onconase With Bound Nucleic Acid" . . . . . 98.08 104 99.02 99.02 3.65e-67 . . . . 16040 1 9 no PDB 2KB6 . "Solution Structure Of Onconase C87aC104A" . . . . . 99.04 104 100.00 100.00 3.86e-69 . . . . 16040 1 10 no PDB 3FD7 . "Crystal Structure Of Onconase C87aC104A-Onc" . . . . . 99.04 104 100.00 100.00 3.86e-69 . . . . 16040 1 11 no PDB 3HG6 . "Crystal Structure Of The Recombinant Onconase From Rana Pipiens" . . . . . 98.08 104 99.02 99.02 3.65e-67 . . . . 16040 1 12 no PDB 3PHN . "Crystal Structure Of Wild-Type Onconase With Resolution 1.46 A" . . . . . 98.08 104 99.02 99.02 3.65e-67 . . . . 16040 1 13 no PDB 3SNF . "Onconase, Atomic Resolution Crystal Structure" . . . . . 98.08 104 99.02 99.02 3.65e-67 . . . . 16040 1 14 no PDB 3U00 . "Crystal Structure Of Wild-Type Onconase At 1.65 A Resolution" . . . . . 98.08 104 99.02 99.02 3.65e-67 . . . . 16040 1 15 no PDB 3U01 . "Crystal Structure Of Onconase Double Mutant C30a/c75a At 1.12 A Resolution" . . . . . 98.08 104 97.06 97.06 4.48e-65 . . . . 16040 1 16 no GB AAL54383 . "onconase precursor [Rana pipiens]" . . . . . 98.08 127 99.02 99.02 2.81e-67 . . . . 16040 1 17 no SP P22069 . "RecName: Full=Protein P-30; AltName: Full=Onconase" . . . . . 98.08 104 99.02 99.02 3.10e-67 . . . . 16040 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 . PCA . 16040 1 2 . ASP . 16040 1 3 . TRP . 16040 1 4 . LEU . 16040 1 5 . THR . 16040 1 6 . PHE . 16040 1 7 . GLN . 16040 1 8 . LYS . 16040 1 9 . LYS . 16040 1 10 . HIS . 16040 1 11 . ILE . 16040 1 12 . THR . 16040 1 13 . ASN . 16040 1 14 . THR . 16040 1 15 . ARG . 16040 1 16 . ASP . 16040 1 17 . VAL . 16040 1 18 . ASP . 16040 1 19 . CYS . 16040 1 20 . ASP . 16040 1 21 . ASN . 16040 1 22 . ILE . 16040 1 23 . MET . 16040 1 24 . SER . 16040 1 25 . THR . 16040 1 26 . ASN . 16040 1 27 . LEU . 16040 1 28 . PHE . 16040 1 29 . HIS . 16040 1 30 . CYS . 16040 1 31 . LYS . 16040 1 32 . ASP . 16040 1 33 . LYS . 16040 1 34 . ASN . 16040 1 35 . THR . 16040 1 36 . PHE . 16040 1 37 . ILE . 16040 1 38 . TYR . 16040 1 39 . SER . 16040 1 40 . ARG . 16040 1 41 . PRO . 16040 1 42 . GLU . 16040 1 43 . PRO . 16040 1 44 . VAL . 16040 1 45 . LYS . 16040 1 46 . ALA . 16040 1 47 . ILE . 16040 1 48 . CYS . 16040 1 49 . LYS . 16040 1 50 . GLY . 16040 1 51 . ILE . 16040 1 52 . ILE . 16040 1 53 . ALA . 16040 1 54 . SER . 16040 1 55 . LYS . 16040 1 56 . ASN . 16040 1 57 . VAL . 16040 1 58 . LEU . 16040 1 59 . THR . 16040 1 60 . THR . 16040 1 61 . SER . 16040 1 62 . GLU . 16040 1 63 . PHE . 16040 1 64 . TYR . 16040 1 65 . LEU . 16040 1 66 . SER . 16040 1 67 . ASP . 16040 1 68 . CYS . 16040 1 69 . ASN . 16040 1 70 . VAL . 16040 1 71 . THR . 16040 1 72 . SER . 16040 1 73 . ARG . 16040 1 74 . PRO . 16040 1 75 . CYS . 16040 1 76 . LYS . 16040 1 77 . TYR . 16040 1 78 . LYS . 16040 1 79 . LEU . 16040 1 80 . LYS . 16040 1 81 . LYS . 16040 1 82 . SER . 16040 1 83 . THR . 16040 1 84 . ASN . 16040 1 85 . LYS . 16040 1 86 . PHE . 16040 1 87 . ALA . 16040 1 88 . VAL . 16040 1 89 . THR . 16040 1 90 . CYS . 16040 1 91 . GLU . 16040 1 92 . ASN . 16040 1 93 . GLN . 16040 1 94 . ALA . 16040 1 95 . PRO . 16040 1 96 . VAL . 16040 1 97 . HIS . 16040 1 98 . PHE . 16040 1 99 . VAL . 16040 1 100 . GLY . 16040 1 101 . VAL . 16040 1 102 . GLY . 16040 1 103 . SER . 16040 1 104 . ALA . 16040 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 . PCA 1 1 16040 1 . ASP 2 2 16040 1 . TRP 3 3 16040 1 . LEU 4 4 16040 1 . THR 5 5 16040 1 . PHE 6 6 16040 1 . GLN 7 7 16040 1 . LYS 8 8 16040 1 . LYS 9 9 16040 1 . HIS 10 10 16040 1 . ILE 11 11 16040 1 . THR 12 12 16040 1 . ASN 13 13 16040 1 . THR 14 14 16040 1 . ARG 15 15 16040 1 . ASP 16 16 16040 1 . VAL 17 17 16040 1 . ASP 18 18 16040 1 . CYS 19 19 16040 1 . ASP 20 20 16040 1 . ASN 21 21 16040 1 . ILE 22 22 16040 1 . MET 23 23 16040 1 . SER 24 24 16040 1 . THR 25 25 16040 1 . ASN 26 26 16040 1 . LEU 27 27 16040 1 . PHE 28 28 16040 1 . HIS 29 29 16040 1 . CYS 30 30 16040 1 . LYS 31 31 16040 1 . ASP 32 32 16040 1 . LYS 33 33 16040 1 . ASN 34 34 16040 1 . THR 35 35 16040 1 . PHE 36 36 16040 1 . ILE 37 37 16040 1 . TYR 38 38 16040 1 . SER 39 39 16040 1 . ARG 40 40 16040 1 . PRO 41 41 16040 1 . GLU 42 42 16040 1 . PRO 43 43 16040 1 . VAL 44 44 16040 1 . LYS 45 45 16040 1 . ALA 46 46 16040 1 . ILE 47 47 16040 1 . CYS 48 48 16040 1 . LYS 49 49 16040 1 . GLY 50 50 16040 1 . ILE 51 51 16040 1 . ILE 52 52 16040 1 . ALA 53 53 16040 1 . SER 54 54 16040 1 . LYS 55 55 16040 1 . ASN 56 56 16040 1 . VAL 57 57 16040 1 . LEU 58 58 16040 1 . THR 59 59 16040 1 . THR 60 60 16040 1 . SER 61 61 16040 1 . GLU 62 62 16040 1 . PHE 63 63 16040 1 . TYR 64 64 16040 1 . LEU 65 65 16040 1 . SER 66 66 16040 1 . ASP 67 67 16040 1 . CYS 68 68 16040 1 . ASN 69 69 16040 1 . VAL 70 70 16040 1 . THR 71 71 16040 1 . SER 72 72 16040 1 . ARG 73 73 16040 1 . PRO 74 74 16040 1 . CYS 75 75 16040 1 . LYS 76 76 16040 1 . TYR 77 77 16040 1 . LYS 78 78 16040 1 . LEU 79 79 16040 1 . LYS 80 80 16040 1 . LYS 81 81 16040 1 . SER 82 82 16040 1 . THR 83 83 16040 1 . ASN 84 84 16040 1 . LYS 85 85 16040 1 . PHE 86 86 16040 1 . ALA 87 87 16040 1 . VAL 88 88 16040 1 . THR 89 89 16040 1 . CYS 90 90 16040 1 . GLU 91 91 16040 1 . ASN 92 92 16040 1 . GLN 93 93 16040 1 . ALA 94 94 16040 1 . PRO 95 95 16040 1 . VAL 96 96 16040 1 . HIS 97 97 16040 1 . PHE 98 98 16040 1 . VAL 99 99 16040 1 . GLY 100 100 16040 1 . VAL 101 101 16040 1 . GLY 102 102 16040 1 . SER 103 103 16040 1 . ALA 104 104 16040 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 16040 _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 . 8404 organism . 'rana pipiens' 'northern leopard frog' . . Eukaryota Metazoa rana pipiens . . . . . . . . . . . . . . . . . . . . . 16040 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 16040 _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 (DE3)' . . . . . . . . . . . . . . . pET-26b(+) . . . . . . 16040 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PCA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PCA _Chem_comp.Entry_ID 16040 _Chem_comp.ID PCA _Chem_comp.Provenance . _Chem_comp.Name 'PYROGLUTAMIC ACID' _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code PCA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code PCA _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H7 N O3' _Chem_comp.Formula_weight 129.114 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:23:05 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1CC(=O)NC1C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 16040 PCA C1CC(=O)N[C@@H]1C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16040 PCA InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 InChI InChI 1.01 16040 PCA O=C(O)C1NC(=O)CC1 SMILES ACDLabs 10.04 16040 PCA OC(=O)[C@@H]1CCC(=O)N1 SMILES_CANONICAL CACTVS 3.341 16040 PCA OC(=O)[CH]1CCC(=O)N1 SMILES CACTVS 3.341 16040 PCA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-5-oxopyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16040 PCA 5-oxo-L-proline 'SYSTEMATIC NAME' ACDLabs 10.04 16040 PCA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA CA . CA . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA CB . CB . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA CD . CD . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA CG . CG . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA H . H . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA HA . HA . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA HB2 . HB2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA HB3 . HB3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA HG2 . HG2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA HG3 . HG3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA HXT . HXT . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA N . N . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA O . O . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA OE . OE . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 16040 PCA OXT . OXT . . O . N . 0 . . . . no yes . . . . . . . . . . . . . . . 16040 PCA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA . . . . 16040 PCA 2 . SING N CD . . . . 16040 PCA 3 . SING N H . . . . 16040 PCA 4 . SING CA CB . . . . 16040 PCA 5 . SING CA C . . . . 16040 PCA 6 . SING CA HA . . . . 16040 PCA 7 . SING CB CG . . . . 16040 PCA 8 . SING CB HB2 . . . . 16040 PCA 9 . SING CB HB3 . . . . 16040 PCA 10 . SING CG CD . . . . 16040 PCA 11 . SING CG HG2 . . . . 16040 PCA 12 . SING CG HG3 . . . . 16040 PCA 13 . DOUB CD OE . . . . 16040 PCA 14 . DOUB C O . . . . 16040 PCA 15 . SING C OXT . . . . 16040 PCA 16 . SING OXT HXT . . . . 16040 PCA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16040 _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-15N] . . 1 $entity . . 1.0 . . mM . . . . 16040 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16040 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16040 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16040 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 16040 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 16040 1 pH 7.0 . pH 16040 1 pressure 1 . atm 16040 1 temperature 298 . K 16040 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16040 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16040 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16040 1 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 16040 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16040 _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 Bruker Avance . 600 . . . 16040 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 16040 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16040 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16040 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16040 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16040 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 16040 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16040 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16040 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 16040 _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' . . . 16040 1 2 '3D 1H-15N NOESY' . . . 16040 1 3 '3D 1H-15N TOCSY' . . . 16040 1 4 '2D 1H-1H NOESY' . . . 16040 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PCA HA H 1 3.939 0.010 . 1 . . . . 1 PCA HA . 16040 1 2 . 1 1 1 1 PCA HB2 H 1 1.613 0.010 . 2 . . . . 1 PCA HB2 . 16040 1 3 . 1 1 1 1 PCA HB3 H 1 2.104 0.010 . 2 . . . . 1 PCA HB3 . 16040 1 4 . 1 1 1 1 PCA HG2 H 1 2.455 0.010 . 2 . . . . 1 PCA HG2 . 16040 1 5 . 1 1 1 1 PCA HG3 H 1 2.665 0.010 . 2 . . . . 1 PCA HG3 . 16040 1 6 . 1 1 1 1 PCA H H 1 8.154 0.010 . 1 . . . . 1 PCA HN . 16040 1 7 . 1 1 1 1 PCA N N 15 123.554 0.010 . 1 . . . . 1 PCA N . 16040 1 8 . 1 1 2 2 ASP H H 1 7.871 0.010 . 1 . . . . 2 ASP HN . 16040 1 9 . 1 1 2 2 ASP HA H 1 4.626 0.010 . 1 . . . . 2 ASP HA . 16040 1 10 . 1 1 2 2 ASP HB2 H 1 2.971 0.010 . 2 . . . . 2 ASP HB2 . 16040 1 11 . 1 1 2 2 ASP HB3 H 1 2.972 0.010 . 2 . . . . 2 ASP HB3 . 16040 1 12 . 1 1 2 2 ASP N N 15 114.213 0.010 . 1 . . . . 2 ASP N . 16040 1 13 . 1 1 3 3 TRP H H 1 9.300 0.010 . 1 . . . . 3 TRP HN . 16040 1 14 . 1 1 3 3 TRP HA H 1 5.398 0.010 . 1 . . . . 3 TRP HA . 16040 1 15 . 1 1 3 3 TRP HB2 H 1 3.133 0.010 . 2 . . . . 3 TRP HB2 . 16040 1 16 . 1 1 3 3 TRP HB3 H 1 3.238 0.010 . 2 . . . . 3 TRP HB3 . 16040 1 17 . 1 1 3 3 TRP HD1 H 1 7.197 0.010 . 1 . . . . 3 TRP HD1 . 16040 1 18 . 1 1 3 3 TRP HE1 H 1 10.385 0.010 . 1 . . . . 3 TRP HE1 . 16040 1 19 . 1 1 3 3 TRP HE3 H 1 7.273 0.010 . 1 . . . . 3 TRP HE3 . 16040 1 20 . 1 1 3 3 TRP HH2 H 1 7.125 0.010 . 1 . . . . 3 TRP HH2 . 16040 1 21 . 1 1 3 3 TRP HZ2 H 1 7.273 0.010 . 1 . . . . 3 TRP HZ2 . 16040 1 22 . 1 1 3 3 TRP HZ3 H 1 7.125 0.010 . 1 . . . . 3 TRP HZ3 . 16040 1 23 . 1 1 3 3 TRP N N 15 123.555 0.010 . 1 . . . . 3 TRP N . 16040 1 24 . 1 1 3 3 TRP NE1 N 15 130.553 0.010 . 1 . . . . 3 TRP NE1 . 16040 1 25 . 1 1 4 4 LEU H H 1 8.275 0.010 . 1 . . . . 4 LEU HN . 16040 1 26 . 1 1 4 4 LEU HA H 1 3.677 0.010 . 1 . . . . 4 LEU HA . 16040 1 27 . 1 1 4 4 LEU HB2 H 1 1.475 0.010 . 2 . . . . 4 LEU HB2 . 16040 1 28 . 1 1 4 4 LEU HB3 H 1 1.635 0.010 . 2 . . . . 4 LEU HB3 . 16040 1 29 . 1 1 4 4 LEU HD11 H 1 0.790 0.010 . 1 . . . . 4 LEU HD1* . 16040 1 30 . 1 1 4 4 LEU HD12 H 1 0.790 0.010 . 1 . . . . 4 LEU HD1* . 16040 1 31 . 1 1 4 4 LEU HD13 H 1 0.790 0.010 . 1 . . . . 4 LEU HD1* . 16040 1 32 . 1 1 4 4 LEU HD21 H 1 0.789 0.010 . 1 . . . . 4 LEU HD2* . 16040 1 33 . 1 1 4 4 LEU HD22 H 1 0.789 0.010 . 1 . . . . 4 LEU HD2* . 16040 1 34 . 1 1 4 4 LEU HD23 H 1 0.789 0.010 . 1 . . . . 4 LEU HD2* . 16040 1 35 . 1 1 4 4 LEU HG H 1 1.505 0.010 . 1 . . . . 4 LEU HG . 16040 1 36 . 1 1 4 4 LEU N N 15 120.894 0.010 . 1 . . . . 4 LEU N . 16040 1 37 . 1 1 5 5 THR H H 1 8.719 0.010 . 1 . . . . 5 THR HN . 16040 1 38 . 1 1 5 5 THR HA H 1 3.799 0.010 . 1 . . . . 5 THR HA . 16040 1 39 . 1 1 5 5 THR HB H 1 3.580 0.010 . 1 . . . . 5 THR HB . 16040 1 40 . 1 1 5 5 THR HG21 H 1 1.112 0.010 . 1 . . . . 5 THR HG2* . 16040 1 41 . 1 1 5 5 THR HG22 H 1 1.112 0.010 . 1 . . . . 5 THR HG2* . 16040 1 42 . 1 1 5 5 THR HG23 H 1 1.112 0.010 . 1 . . . . 5 THR HG2* . 16040 1 43 . 1 1 5 5 THR N N 15 117.567 0.010 . 1 . . . . 5 THR N . 16040 1 44 . 1 1 6 6 PHE H H 1 8.735 0.010 . 1 . . . . 6 PHE HN . 16040 1 45 . 1 1 6 6 PHE HA H 1 4.139 0.010 . 1 . . . . 6 PHE HA . 16040 1 46 . 1 1 6 6 PHE HB2 H 1 3.009 0.010 . 2 . . . . 6 PHE HB2 . 16040 1 47 . 1 1 6 6 PHE HB3 H 1 3.483 0.010 . 2 . . . . 6 PHE HB3 . 16040 1 48 . 1 1 6 6 PHE HD1 H 1 6.963 0.010 . 3 . . . . 6 PHE HD* . 16040 1 49 . 1 1 6 6 PHE HD2 H 1 6.963 0.010 . 3 . . . . 6 PHE HD* . 16040 1 50 . 1 1 6 6 PHE HE1 H 1 6.962 0.010 . 3 . . . . 6 PHE HE* . 16040 1 51 . 1 1 6 6 PHE HE2 H 1 6.962 0.010 . 3 . . . . 6 PHE HE* . 16040 1 52 . 1 1 6 6 PHE HZ H 1 6.264 0.010 . 1 . . . . 6 PHE HZ . 16040 1 53 . 1 1 6 6 PHE N N 15 122.982 0.010 . 1 . . . . 6 PHE N . 16040 1 54 . 1 1 7 7 GLN H H 1 8.053 0.010 . 1 . . . . 7 GLN HN . 16040 1 55 . 1 1 7 7 GLN HA H 1 3.456 0.010 . 1 . . . . 7 GLN HA . 16040 1 56 . 1 1 7 7 GLN HB2 H 1 1.707 0.010 . 2 . . . . 7 GLN HB2 . 16040 1 57 . 1 1 7 7 GLN HB3 H 1 1.708 0.010 . 2 . . . . 7 GLN HB3 . 16040 1 58 . 1 1 7 7 GLN HE21 H 1 6.560 0.010 . 2 . . . . 7 GLN HE21 . 16040 1 59 . 1 1 7 7 GLN HE22 H 1 4.402 0.010 . 2 . . . . 7 GLN HE22 . 16040 1 60 . 1 1 7 7 GLN HG2 H 1 2.121 0.010 . 2 . . . . 7 GLN HG2 . 16040 1 61 . 1 1 7 7 GLN HG3 H 1 2.122 0.010 . 2 . . . . 7 GLN HG3 . 16040 1 62 . 1 1 7 7 GLN N N 15 117.062 0.010 . 1 . . . . 7 GLN N . 16040 1 63 . 1 1 7 7 GLN NE2 N 15 107.922 0.010 . 1 . . . . 7 GLN NE2 . 16040 1 64 . 1 1 8 8 LYS H H 1 7.366 0.010 . 1 . . . . 8 LYS HN . 16040 1 65 . 1 1 8 8 LYS HA H 1 3.845 0.010 . 1 . . . . 8 LYS HA . 16040 1 66 . 1 1 8 8 LYS HB2 H 1 1.659 0.010 . 2 . . . . 8 LYS HB2 . 16040 1 67 . 1 1 8 8 LYS HB3 H 1 1.744 0.010 . 2 . . . . 8 LYS HB3 . 16040 1 68 . 1 1 8 8 LYS HD2 H 1 1.512 0.010 . 2 . . . . 8 LYS HD2 . 16040 1 69 . 1 1 8 8 LYS HD3 H 1 1.513 0.010 . 2 . . . . 8 LYS HD3 . 16040 1 70 . 1 1 8 8 LYS HE2 H 1 2.759 0.010 . 2 . . . . 8 LYS HE* . 16040 1 71 . 1 1 8 8 LYS HE3 H 1 2.759 0.010 . 2 . . . . 8 LYS HE* . 16040 1 72 . 1 1 8 8 LYS HG2 H 1 1.354 0.010 . 2 . . . . 8 LYS HG2 . 16040 1 73 . 1 1 8 8 LYS HG3 H 1 1.355 0.010 . 2 . . . . 8 LYS HG3 . 16040 1 74 . 1 1 8 8 LYS HZ1 H 1 7.341 0.010 . 1 . . . . 8 LYS HZ* . 16040 1 75 . 1 1 8 8 LYS HZ2 H 1 7.341 0.010 . 1 . . . . 8 LYS HZ* . 16040 1 76 . 1 1 8 8 LYS HZ3 H 1 7.341 0.010 . 1 . . . . 8 LYS HZ* . 16040 1 77 . 1 1 8 8 LYS N N 15 117.944 0.010 . 1 . . . . 8 LYS N . 16040 1 78 . 1 1 9 9 LYS H H 1 7.996 0.010 . 1 . . . . 9 LYS HN . 16040 1 79 . 1 1 9 9 LYS HA H 1 3.969 0.010 . 1 . . . . 9 LYS HA . 16040 1 80 . 1 1 9 9 LYS HB2 H 1 1.220 0.010 . 2 . . . . 9 LYS HB2 . 16040 1 81 . 1 1 9 9 LYS HB3 H 1 1.221 0.010 . 2 . . . . 9 LYS HB3 . 16040 1 82 . 1 1 9 9 LYS HD2 H 1 1.166 0.010 . 2 . . . . 9 LYS HD2 . 16040 1 83 . 1 1 9 9 LYS HD3 H 1 1.167 0.010 . 2 . . . . 9 LYS HD3 . 16040 1 84 . 1 1 9 9 LYS HG2 H 1 0.831 0.010 . 2 . . . . 9 LYS HG2 . 16040 1 85 . 1 1 9 9 LYS HG3 H 1 0.832 0.010 . 2 . . . . 9 LYS HG3 . 16040 1 86 . 1 1 9 9 LYS N N 15 115.014 0.010 . 1 . . . . 9 LYS N . 16040 1 87 . 1 1 10 10 HIS H H 1 7.785 0.010 . 1 . . . . 10 HIS HN . 16040 1 88 . 1 1 10 10 HIS HA H 1 4.536 0.010 . 1 . . . . 10 HIS HA . 16040 1 89 . 1 1 10 10 HIS HB2 H 1 1.637 0.010 . 2 . . . . 10 HIS HB2 . 16040 1 90 . 1 1 10 10 HIS HB3 H 1 2.526 0.010 . 2 . . . . 10 HIS HB3 . 16040 1 91 . 1 1 10 10 HIS HD2 H 1 7.834 0.010 . 1 . . . . 10 HIS HD2 . 16040 1 92 . 1 1 10 10 HIS HE1 H 1 6.993 0.010 . 1 . . . . 10 HIS HE1 . 16040 1 93 . 1 1 10 10 HIS N N 15 107.185 0.010 . 1 . . . . 10 HIS N . 16040 1 94 . 1 1 11 11 ILE H H 1 8.179 0.010 . 1 . . . . 11 ILE HN . 16040 1 95 . 1 1 11 11 ILE HA H 1 5.064 0.010 . 1 . . . . 11 ILE HA . 16040 1 96 . 1 1 11 11 ILE HB H 1 2.149 0.010 . 1 . . . . 11 ILE HB . 16040 1 97 . 1 1 11 11 ILE HD11 H 1 0.365 0.010 . 1 . . . . 11 ILE HD1* . 16040 1 98 . 1 1 11 11 ILE HD12 H 1 0.365 0.010 . 1 . . . . 11 ILE HD1* . 16040 1 99 . 1 1 11 11 ILE HD13 H 1 0.365 0.010 . 1 . . . . 11 ILE HD1* . 16040 1 100 . 1 1 11 11 ILE HG12 H 1 1.246 0.010 . 2 . . . . 11 ILE HG12 . 16040 1 101 . 1 1 11 11 ILE HG13 H 1 1.562 0.010 . 2 . . . . 11 ILE HG13 . 16040 1 102 . 1 1 11 11 ILE HG21 H 1 0.978 0.010 . 1 . . . . 11 ILE HG2* . 16040 1 103 . 1 1 11 11 ILE HG22 H 1 0.978 0.010 . 1 . . . . 11 ILE HG2* . 16040 1 104 . 1 1 11 11 ILE HG23 H 1 0.978 0.010 . 1 . . . . 11 ILE HG2* . 16040 1 105 . 1 1 11 11 ILE N N 15 121.378 0.010 . 1 . . . . 11 ILE N . 16040 1 106 . 1 1 12 12 THR H H 1 8.546 0.010 . 1 . . . . 12 THR HN . 16040 1 107 . 1 1 12 12 THR HA H 1 5.002 0.010 . 1 . . . . 12 THR HA . 16040 1 108 . 1 1 12 12 THR HB H 1 3.647 0.010 . 1 . . . . 12 THR HB . 16040 1 109 . 1 1 12 12 THR HG21 H 1 1.001 0.010 . 1 . . . . 12 THR HG2* . 16040 1 110 . 1 1 12 12 THR HG22 H 1 1.001 0.010 . 1 . . . . 12 THR HG2* . 16040 1 111 . 1 1 12 12 THR HG23 H 1 1.001 0.010 . 1 . . . . 12 THR HG2* . 16040 1 112 . 1 1 12 12 THR N N 15 120.322 0.010 . 1 . . . . 12 THR N . 16040 1 113 . 1 1 13 13 ASN H H 1 8.263 0.010 . 1 . . . . 13 ASN HN . 16040 1 114 . 1 1 13 13 ASN HA H 1 4.827 0.010 . 1 . . . . 13 ASN HA . 16040 1 115 . 1 1 13 13 ASN HB2 H 1 2.735 0.010 . 2 . . . . 13 ASN HB2 . 16040 1 116 . 1 1 13 13 ASN HB3 H 1 2.992 0.010 . 2 . . . . 13 ASN HB3 . 16040 1 117 . 1 1 13 13 ASN HD21 H 1 7.527 0.010 . 2 . . . . 13 ASN HD21 . 16040 1 118 . 1 1 13 13 ASN HD22 H 1 6.750 0.010 . 2 . . . . 13 ASN HD22 . 16040 1 119 . 1 1 13 13 ASN N N 15 123.517 0.010 . 1 . . . . 13 ASN N . 16040 1 120 . 1 1 13 13 ASN ND2 N 15 111.421 0.010 . 1 . . . . 13 ASN ND2 . 16040 1 121 . 1 1 14 14 THR H H 1 7.878 0.010 . 1 . . . . 14 THR HN . 16040 1 122 . 1 1 14 14 THR HA H 1 4.395 0.010 . 1 . . . . 14 THR HA . 16040 1 123 . 1 1 14 14 THR HB H 1 3.830 0.010 . 1 . . . . 14 THR HB . 16040 1 124 . 1 1 14 14 THR HG21 H 1 0.723 0.010 . 1 . . . . 14 THR HG2* . 16040 1 125 . 1 1 14 14 THR HG22 H 1 0.723 0.010 . 1 . . . . 14 THR HG2* . 16040 1 126 . 1 1 14 14 THR HG23 H 1 0.723 0.010 . 1 . . . . 14 THR HG2* . 16040 1 127 . 1 1 14 14 THR N N 15 113.563 0.010 . 1 . . . . 14 THR N . 16040 1 128 . 1 1 15 15 ARG H H 1 8.545 0.010 . 1 . . . . 15 ARG HN . 16040 1 129 . 1 1 15 15 ARG HA H 1 3.448 0.010 . 1 . . . . 15 ARG HA . 16040 1 130 . 1 1 15 15 ARG HB2 H 1 1.257 0.010 . 2 . . . . 15 ARG HB2 . 16040 1 131 . 1 1 15 15 ARG HB3 H 1 1.258 0.010 . 2 . . . . 15 ARG HB3 . 16040 1 132 . 1 1 15 15 ARG HD2 H 1 3.459 0.010 . 2 . . . . 15 ARG HD2 . 16040 1 133 . 1 1 15 15 ARG HD3 H 1 3.460 0.010 . 2 . . . . 15 ARG HD3 . 16040 1 134 . 1 1 15 15 ARG HE H 1 8.163 0.010 . 1 . . . . 15 ARG HE . 16040 1 135 . 1 1 15 15 ARG HG2 H 1 1.538 0.010 . 2 . . . . 15 ARG HG2 . 16040 1 136 . 1 1 15 15 ARG HG3 H 1 1.671 0.010 . 2 . . . . 15 ARG HG3 . 16040 1 137 . 1 1 15 15 ARG N N 15 126.331 0.010 . 1 . . . . 15 ARG N . 16040 1 138 . 1 1 16 16 ASP H H 1 7.846 0.010 . 1 . . . . 16 ASP HN . 16040 1 139 . 1 1 16 16 ASP HA H 1 4.512 0.010 . 1 . . . . 16 ASP HA . 16040 1 140 . 1 1 16 16 ASP HB2 H 1 2.128 0.010 . 2 . . . . 16 ASP HB2 . 16040 1 141 . 1 1 16 16 ASP HB3 H 1 2.304 0.010 . 2 . . . . 16 ASP HB3 . 16040 1 142 . 1 1 16 16 ASP N N 15 121.932 0.010 . 1 . . . . 16 ASP N . 16040 1 143 . 1 1 17 17 VAL H H 1 6.499 0.010 . 1 . . . . 17 VAL HN . 16040 1 144 . 1 1 17 17 VAL HA H 1 2.954 0.010 . 1 . . . . 17 VAL HA . 16040 1 145 . 1 1 17 17 VAL HB H 1 1.215 0.010 . 1 . . . . 17 VAL HB . 16040 1 146 . 1 1 17 17 VAL HG11 H 1 0.328 0.010 . 1 . . . . 17 VAL HG1* . 16040 1 147 . 1 1 17 17 VAL HG12 H 1 0.328 0.010 . 1 . . . . 17 VAL HG1* . 16040 1 148 . 1 1 17 17 VAL HG13 H 1 0.328 0.010 . 1 . . . . 17 VAL HG1* . 16040 1 149 . 1 1 17 17 VAL HG21 H 1 -0.171 0.010 . 1 . . . . 17 VAL HG2* . 16040 1 150 . 1 1 17 17 VAL HG22 H 1 -0.171 0.010 . 1 . . . . 17 VAL HG2* . 16040 1 151 . 1 1 17 17 VAL HG23 H 1 -0.171 0.010 . 1 . . . . 17 VAL HG2* . 16040 1 152 . 1 1 17 17 VAL N N 15 121.499 0.010 . 1 . . . . 17 VAL N . 16040 1 153 . 1 1 18 18 ASP H H 1 8.566 0.010 . 1 . . . . 18 ASP HN . 16040 1 154 . 1 1 18 18 ASP HA H 1 4.524 0.010 . 1 . . . . 18 ASP HA . 16040 1 155 . 1 1 18 18 ASP HB2 H 1 2.362 0.010 . 2 . . . . 18 ASP HB2 . 16040 1 156 . 1 1 18 18 ASP HB3 H 1 2.783 0.010 . 2 . . . . 18 ASP HB3 . 16040 1 157 . 1 1 18 18 ASP N N 15 127.059 0.010 . 1 . . . . 18 ASP N . 16040 1 158 . 1 1 19 19 CYS H H 1 7.838 0.010 . 1 . . . . 19 CYS HN . 16040 1 159 . 1 1 19 19 CYS HA H 1 3.556 0.010 . 1 . . . . 19 CYS HA . 16040 1 160 . 1 1 19 19 CYS HB2 H 1 2.862 0.010 . 2 . . . . 19 CYS HB2 . 16040 1 161 . 1 1 19 19 CYS HB3 H 1 2.863 0.010 . 2 . . . . 19 CYS HB3 . 16040 1 162 . 1 1 19 19 CYS N N 15 120.870 0.010 . 1 . . . . 19 CYS N . 16040 1 163 . 1 1 20 20 ASP H H 1 8.819 0.010 . 1 . . . . 20 ASP HN . 16040 1 164 . 1 1 20 20 ASP HA H 1 4.298 0.010 . 1 . . . . 20 ASP HA . 16040 1 165 . 1 1 20 20 ASP HB2 H 1 2.510 0.010 . 2 . . . . 20 ASP HB2 . 16040 1 166 . 1 1 20 20 ASP HB3 H 1 2.680 0.010 . 2 . . . . 20 ASP HB3 . 16040 1 167 . 1 1 20 20 ASP N N 15 118.657 0.010 . 1 . . . . 20 ASP N . 16040 1 168 . 1 1 21 21 ASN H H 1 6.997 0.010 . 1 . . . . 21 ASN HN . 16040 1 169 . 1 1 21 21 ASN HA H 1 4.589 0.010 . 1 . . . . 21 ASN HA . 16040 1 170 . 1 1 21 21 ASN HB2 H 1 2.497 0.010 . 2 . . . . 21 ASN HB2 . 16040 1 171 . 1 1 21 21 ASN HB3 H 1 2.498 0.010 . 2 . . . . 21 ASN HB3 . 16040 1 172 . 1 1 21 21 ASN HD21 H 1 8.296 0.010 . 2 . . . . 21 ASN HD21 . 16040 1 173 . 1 1 21 21 ASN HD22 H 1 6.781 0.010 . 2 . . . . 21 ASN HD22 . 16040 1 174 . 1 1 21 21 ASN N N 15 114.544 0.010 . 1 . . . . 21 ASN N . 16040 1 175 . 1 1 21 21 ASN ND2 N 15 115.555 0.010 . 1 . . . . 21 ASN ND2 . 16040 1 176 . 1 1 22 22 ILE H H 1 7.844 0.010 . 1 . . . . 22 ILE HN . 16040 1 177 . 1 1 22 22 ILE HA H 1 3.957 0.010 . 1 . . . . 22 ILE HA . 16040 1 178 . 1 1 22 22 ILE HB H 1 1.428 0.010 . 1 . . . . 22 ILE HB . 16040 1 179 . 1 1 22 22 ILE HD11 H 1 0.632 0.010 . 1 . . . . 22 ILE HD1* . 16040 1 180 . 1 1 22 22 ILE HD12 H 1 0.632 0.010 . 1 . . . . 22 ILE HD1* . 16040 1 181 . 1 1 22 22 ILE HD13 H 1 0.632 0.010 . 1 . . . . 22 ILE HD1* . 16040 1 182 . 1 1 22 22 ILE HG12 H 1 1.094 0.010 . 2 . . . . 22 ILE HG12 . 16040 1 183 . 1 1 22 22 ILE HG13 H 1 1.300 0.010 . 2 . . . . 22 ILE HG13 . 16040 1 184 . 1 1 22 22 ILE HG21 H 1 0.425 0.010 . 1 . . . . 22 ILE HG2* . 16040 1 185 . 1 1 22 22 ILE HG22 H 1 0.425 0.010 . 1 . . . . 22 ILE HG2* . 16040 1 186 . 1 1 22 22 ILE HG23 H 1 0.425 0.010 . 1 . . . . 22 ILE HG2* . 16040 1 187 . 1 1 22 22 ILE N N 15 119.569 0.010 . 1 . . . . 22 ILE N . 16040 1 188 . 1 1 23 23 MET H H 1 8.494 0.010 . 1 . . . . 23 MET HN . 16040 1 189 . 1 1 23 23 MET HA H 1 4.138 0.010 . 1 . . . . 23 MET HA . 16040 1 190 . 1 1 23 23 MET HB2 H 1 1.591 0.010 . 2 . . . . 23 MET HB2 . 16040 1 191 . 1 1 23 23 MET HB3 H 1 1.851 0.010 . 2 . . . . 23 MET HB3 . 16040 1 192 . 1 1 23 23 MET HG2 H 1 2.522 0.010 . 2 . . . . 23 MET HG2 . 16040 1 193 . 1 1 23 23 MET HG3 H 1 2.523 0.010 . 2 . . . . 23 MET HG3 . 16040 1 194 . 1 1 23 23 MET N N 15 117.955 0.010 . 1 . . . . 23 MET N . 16040 1 195 . 1 1 24 24 SER H H 1 7.101 0.010 . 1 . . . . 24 SER HN . 16040 1 196 . 1 1 24 24 SER HA H 1 4.114 0.010 . 1 . . . . 24 SER HA . 16040 1 197 . 1 1 24 24 SER HB2 H 1 3.973 0.010 . 2 . . . . 24 SER HB2 . 16040 1 198 . 1 1 24 24 SER HB3 H 1 3.974 0.010 . 2 . . . . 24 SER HB3 . 16040 1 199 . 1 1 24 24 SER N N 15 108.759 0.010 . 1 . . . . 24 SER N . 16040 1 200 . 1 1 25 25 THR H H 1 7.455 0.010 . 1 . . . . 25 THR HN . 16040 1 201 . 1 1 25 25 THR HA H 1 4.553 0.010 . 1 . . . . 25 THR HA . 16040 1 202 . 1 1 25 25 THR HB H 1 4.468 0.010 . 1 . . . . 25 THR HB . 16040 1 203 . 1 1 25 25 THR HG21 H 1 1.440 0.010 . 1 . . . . 25 THR HG2* . 16040 1 204 . 1 1 25 25 THR HG22 H 1 1.440 0.010 . 1 . . . . 25 THR HG2* . 16040 1 205 . 1 1 25 25 THR HG23 H 1 1.440 0.010 . 1 . . . . 25 THR HG2* . 16040 1 206 . 1 1 25 25 THR N N 15 113.003 0.010 . 1 . . . . 25 THR N . 16040 1 207 . 1 1 26 26 ASN H H 1 7.468 0.010 . 1 . . . . 26 ASN HN . 16040 1 208 . 1 1 26 26 ASN HA H 1 4.070 0.010 . 1 . . . . 26 ASN HA . 16040 1 209 . 1 1 26 26 ASN HB2 H 1 2.740 0.010 . 2 . . . . 26 ASN HB2 . 16040 1 210 . 1 1 26 26 ASN HB3 H 1 2.741 0.010 . 2 . . . . 26 ASN HB3 . 16040 1 211 . 1 1 26 26 ASN HD21 H 1 7.639 0.010 . 2 . . . . 26 ASN HD21 . 16040 1 212 . 1 1 26 26 ASN HD22 H 1 6.881 0.010 . 2 . . . . 26 ASN HD22 . 16040 1 213 . 1 1 26 26 ASN N N 15 117.889 0.010 . 1 . . . . 26 ASN N . 16040 1 214 . 1 1 26 26 ASN ND2 N 15 112.766 0.010 . 1 . . . . 26 ASN ND2 . 16040 1 215 . 1 1 27 27 LEU H H 1 7.379 0.010 . 1 . . . . 27 LEU HN . 16040 1 216 . 1 1 27 27 LEU HA H 1 3.763 0.010 . 1 . . . . 27 LEU HA . 16040 1 217 . 1 1 27 27 LEU HB2 H 1 1.659 0.010 . 2 . . . . 27 LEU HB2 . 16040 1 218 . 1 1 27 27 LEU HB3 H 1 1.732 0.010 . 2 . . . . 27 LEU HB3 . 16040 1 219 . 1 1 27 27 LEU HD11 H 1 0.345 0.010 . 1 . . . . 27 LEU HD1* . 16040 1 220 . 1 1 27 27 LEU HD12 H 1 0.345 0.010 . 1 . . . . 27 LEU HD1* . 16040 1 221 . 1 1 27 27 LEU HD13 H 1 0.345 0.010 . 1 . . . . 27 LEU HD1* . 16040 1 222 . 1 1 27 27 LEU HD21 H 1 0.527 0.010 . 1 . . . . 27 LEU HD2* . 16040 1 223 . 1 1 27 27 LEU HD22 H 1 0.527 0.010 . 1 . . . . 27 LEU HD2* . 16040 1 224 . 1 1 27 27 LEU HD23 H 1 0.527 0.010 . 1 . . . . 27 LEU HD2* . 16040 1 225 . 1 1 27 27 LEU HG H 1 1.093 0.010 . 1 . . . . 27 LEU HG . 16040 1 226 . 1 1 27 27 LEU N N 15 117.538 0.010 . 1 . . . . 27 LEU N . 16040 1 227 . 1 1 28 28 PHE H H 1 6.693 0.010 . 1 . . . . 28 PHE HN . 16040 1 228 . 1 1 28 28 PHE HA H 1 4.334 0.010 . 1 . . . . 28 PHE HA . 16040 1 229 . 1 1 28 28 PHE HB2 H 1 2.874 0.010 . 2 . . . . 28 PHE HB2 . 16040 1 230 . 1 1 28 28 PHE HB3 H 1 2.875 0.010 . 2 . . . . 28 PHE HB3 . 16040 1 231 . 1 1 28 28 PHE HD1 H 1 6.893 0.010 . 3 . . . . 28 PHE HD* . 16040 1 232 . 1 1 28 28 PHE HD2 H 1 6.893 0.010 . 3 . . . . 28 PHE HD* . 16040 1 233 . 1 1 28 28 PHE HE1 H 1 6.816 0.010 . 3 . . . . 28 PHE HE* . 16040 1 234 . 1 1 28 28 PHE HE2 H 1 6.816 0.010 . 3 . . . . 28 PHE HE* . 16040 1 235 . 1 1 28 28 PHE HZ H 1 6.201 0.010 . 1 . . . . 28 PHE HZ . 16040 1 236 . 1 1 28 28 PHE N N 15 113.427 0.010 . 1 . . . . 28 PHE N . 16040 1 237 . 1 1 29 29 HIS H H 1 8.798 0.010 . 1 . . . . 29 HIS HN . 16040 1 238 . 1 1 29 29 HIS HA H 1 4.249 0.010 . 1 . . . . 29 HIS HA . 16040 1 239 . 1 1 29 29 HIS HB2 H 1 2.948 0.010 . 2 . . . . 29 HIS HB2 . 16040 1 240 . 1 1 29 29 HIS HB3 H 1 3.179 0.010 . 2 . . . . 29 HIS HB3 . 16040 1 241 . 1 1 29 29 HIS HD2 H 1 7.652 0.010 . 1 . . . . 29 HIS HD2 . 16040 1 242 . 1 1 29 29 HIS HE1 H 1 6.848 0.010 . 1 . . . . 29 HIS HE1 . 16040 1 243 . 1 1 29 29 HIS N N 15 114.076 0.010 . 1 . . . . 29 HIS N . 16040 1 244 . 1 1 30 30 CYS H H 1 9.153 0.010 . 1 . . . . 30 CYS HN . 16040 1 245 . 1 1 30 30 CYS HA H 1 4.512 0.010 . 1 . . . . 30 CYS HA . 16040 1 246 . 1 1 30 30 CYS HB2 H 1 3.192 0.010 . 2 . . . . 30 CYS HB2 . 16040 1 247 . 1 1 30 30 CYS HB3 H 1 3.262 0.010 . 2 . . . . 30 CYS HB3 . 16040 1 248 . 1 1 30 30 CYS N N 15 109.137 0.010 . 1 . . . . 30 CYS N . 16040 1 249 . 1 1 31 31 LYS H H 1 7.521 0.010 . 1 . . . . 31 LYS HN . 16040 1 250 . 1 1 31 31 LYS HA H 1 4.334 0.010 . 1 . . . . 31 LYS HA . 16040 1 251 . 1 1 31 31 LYS HB2 H 1 2.144 0.010 . 2 . . . . 31 LYS HB2 . 16040 1 252 . 1 1 31 31 LYS HB3 H 1 2.145 0.010 . 2 . . . . 31 LYS HB3 . 16040 1 253 . 1 1 31 31 LYS HD2 H 1 1.658 0.010 . 2 . . . . 31 LYS HD2 . 16040 1 254 . 1 1 31 31 LYS HD3 H 1 1.659 0.010 . 2 . . . . 31 LYS HD3 . 16040 1 255 . 1 1 31 31 LYS HE2 H 1 2.891 0.010 . 2 . . . . 31 LYS HE* . 16040 1 256 . 1 1 31 31 LYS HE3 H 1 2.891 0.010 . 2 . . . . 31 LYS HE* . 16040 1 257 . 1 1 31 31 LYS HG2 H 1 1.330 0.010 . 2 . . . . 31 LYS HG2 . 16040 1 258 . 1 1 31 31 LYS HG3 H 1 1.331 0.010 . 2 . . . . 31 LYS HG3 . 16040 1 259 . 1 1 31 31 LYS HZ1 H 1 7.089 0.010 . 1 . . . . 31 LYS HZ* . 16040 1 260 . 1 1 31 31 LYS HZ2 H 1 7.089 0.010 . 1 . . . . 31 LYS HZ* . 16040 1 261 . 1 1 31 31 LYS HZ3 H 1 7.089 0.010 . 1 . . . . 31 LYS HZ* . 16040 1 262 . 1 1 31 31 LYS N N 15 117.016 0.010 . 1 . . . . 31 LYS N . 16040 1 263 . 1 1 32 32 ASP H H 1 8.496 0.010 . 1 . . . . 32 ASP HN . 16040 1 264 . 1 1 32 32 ASP HA H 1 4.139 0.010 . 1 . . . . 32 ASP HA . 16040 1 265 . 1 1 32 32 ASP HB2 H 1 2.679 0.010 . 2 . . . . 32 ASP HB2 . 16040 1 266 . 1 1 32 32 ASP HB3 H 1 2.680 0.010 . 2 . . . . 32 ASP HB3 . 16040 1 267 . 1 1 32 32 ASP N N 15 120.267 0.010 . 1 . . . . 32 ASP N . 16040 1 268 . 1 1 33 33 LYS H H 1 7.519 0.010 . 1 . . . . 33 LYS HN . 16040 1 269 . 1 1 33 33 LYS HA H 1 5.563 0.010 . 1 . . . . 33 LYS HA . 16040 1 270 . 1 1 33 33 LYS HB2 H 1 1.755 0.010 . 2 . . . . 33 LYS HB2 . 16040 1 271 . 1 1 33 33 LYS HB3 H 1 1.756 0.010 . 2 . . . . 33 LYS HB3 . 16040 1 272 . 1 1 33 33 LYS HD2 H 1 1.524 0.010 . 2 . . . . 33 LYS HD2 . 16040 1 273 . 1 1 33 33 LYS HD3 H 1 1.525 0.010 . 2 . . . . 33 LYS HD3 . 16040 1 274 . 1 1 33 33 LYS HE2 H 1 2.848 0.010 . 2 . . . . 33 LYS HE* . 16040 1 275 . 1 1 33 33 LYS HE3 H 1 2.848 0.010 . 2 . . . . 33 LYS HE* . 16040 1 276 . 1 1 33 33 LYS HG2 H 1 1.293 0.010 . 2 . . . . 33 LYS HG2 . 16040 1 277 . 1 1 33 33 LYS HG3 H 1 1.294 0.010 . 2 . . . . 33 LYS HG3 . 16040 1 278 . 1 1 33 33 LYS HZ1 H 1 6.935 0.010 . 1 . . . . 33 LYS HZ* . 16040 1 279 . 1 1 33 33 LYS HZ2 H 1 6.935 0.010 . 1 . . . . 33 LYS HZ* . 16040 1 280 . 1 1 33 33 LYS HZ3 H 1 6.935 0.010 . 1 . . . . 33 LYS HZ* . 16040 1 281 . 1 1 33 33 LYS N N 15 114.737 0.010 . 1 . . . . 33 LYS N . 16040 1 282 . 1 1 34 34 ASN H H 1 7.794 0.010 . 1 . . . . 34 ASN HN . 16040 1 283 . 1 1 34 34 ASN HA H 1 4.477 0.010 . 1 . . . . 34 ASN HA . 16040 1 284 . 1 1 34 34 ASN HB2 H 1 1.732 0.010 . 2 . . . . 34 ASN HB2 . 16040 1 285 . 1 1 34 34 ASN HB3 H 1 2.011 0.010 . 2 . . . . 34 ASN HB3 . 16040 1 286 . 1 1 34 34 ASN HD21 H 1 6.088 0.010 . 2 . . . . 34 ASN HD21 . 16040 1 287 . 1 1 34 34 ASN HD22 H 1 3.496 0.010 . 2 . . . . 34 ASN HD22 . 16040 1 288 . 1 1 34 34 ASN N N 15 116.413 0.010 . 1 . . . . 34 ASN N . 16040 1 289 . 1 1 34 34 ASN ND2 N 15 116.121 0.010 . 1 . . . . 34 ASN ND2 . 16040 1 290 . 1 1 35 35 THR H H 1 7.819 0.010 . 1 . . . . 35 THR HN . 16040 1 291 . 1 1 35 35 THR HA H 1 4.454 0.010 . 1 . . . . 35 THR HA . 16040 1 292 . 1 1 35 35 THR HB H 1 2.374 0.010 . 1 . . . . 35 THR HB . 16040 1 293 . 1 1 35 35 THR HG21 H 1 0.724 0.010 . 1 . . . . 35 THR HG2* . 16040 1 294 . 1 1 35 35 THR HG22 H 1 0.724 0.010 . 1 . . . . 35 THR HG2* . 16040 1 295 . 1 1 35 35 THR HG23 H 1 0.724 0.010 . 1 . . . . 35 THR HG2* . 16040 1 296 . 1 1 35 35 THR N N 15 122.595 0.010 . 1 . . . . 35 THR N . 16040 1 297 . 1 1 36 36 PHE H H 1 9.192 0.010 . 1 . . . . 36 PHE HN . 16040 1 298 . 1 1 36 36 PHE HA H 1 4.465 0.010 . 1 . . . . 36 PHE HA . 16040 1 299 . 1 1 36 36 PHE HB2 H 1 2.397 0.010 . 2 . . . . 36 PHE HB2 . 16040 1 300 . 1 1 36 36 PHE HB3 H 1 2.888 0.010 . 2 . . . . 36 PHE HB3 . 16040 1 301 . 1 1 36 36 PHE HD1 H 1 6.806 0.010 . 3 . . . . 36 PHE HD* . 16040 1 302 . 1 1 36 36 PHE HD2 H 1 6.806 0.010 . 3 . . . . 36 PHE HD* . 16040 1 303 . 1 1 36 36 PHE HE1 H 1 6.485 0.010 . 3 . . . . 36 PHE HE* . 16040 1 304 . 1 1 36 36 PHE HE2 H 1 6.485 0.010 . 3 . . . . 36 PHE HE* . 16040 1 305 . 1 1 36 36 PHE HZ H 1 5.988 0.010 . 1 . . . . 36 PHE HZ . 16040 1 306 . 1 1 36 36 PHE N N 15 125.174 0.010 . 1 . . . . 36 PHE N . 16040 1 307 . 1 1 37 37 ILE H H 1 9.389 0.010 . 1 . . . . 37 ILE HN . 16040 1 308 . 1 1 37 37 ILE HA H 1 4.197 0.010 . 1 . . . . 37 ILE HA . 16040 1 309 . 1 1 37 37 ILE HB H 1 1.731 0.010 . 1 . . . . 37 ILE HB . 16040 1 310 . 1 1 37 37 ILE HD11 H 1 -0.009 0.010 . 1 . . . . 37 ILE HD1* . 16040 1 311 . 1 1 37 37 ILE HD12 H 1 -0.009 0.010 . 1 . . . . 37 ILE HD1* . 16040 1 312 . 1 1 37 37 ILE HD13 H 1 -0.009 0.010 . 1 . . . . 37 ILE HD1* . 16040 1 313 . 1 1 37 37 ILE HG12 H 1 1.127 0.010 . 2 . . . . 37 ILE HG12 . 16040 1 314 . 1 1 37 37 ILE HG13 H 1 1.205 0.010 . 2 . . . . 37 ILE HG13 . 16040 1 315 . 1 1 37 37 ILE HG21 H 1 0.766 0.010 . 1 . . . . 37 ILE HG2* . 16040 1 316 . 1 1 37 37 ILE HG22 H 1 0.766 0.010 . 1 . . . . 37 ILE HG2* . 16040 1 317 . 1 1 37 37 ILE HG23 H 1 0.766 0.010 . 1 . . . . 37 ILE HG2* . 16040 1 318 . 1 1 37 37 ILE N N 15 122.998 0.010 . 1 . . . . 37 ILE N . 16040 1 319 . 1 1 38 38 TYR H H 1 8.959 0.010 . 1 . . . . 38 TYR HN . 16040 1 320 . 1 1 38 38 TYR HA H 1 5.341 0.010 . 1 . . . . 38 TYR HA . 16040 1 321 . 1 1 38 38 TYR HB2 H 1 2.525 0.010 . 2 . . . . 38 TYR HB2 . 16040 1 322 . 1 1 38 38 TYR HB3 H 1 3.086 0.010 . 2 . . . . 38 TYR HB3 . 16040 1 323 . 1 1 38 38 TYR HD1 H 1 6.836 0.010 . 3 . . . . 38 TYR HD* . 16040 1 324 . 1 1 38 38 TYR HD2 H 1 6.836 0.010 . 3 . . . . 38 TYR HD* . 16040 1 325 . 1 1 38 38 TYR HE1 H 1 6.582 0.010 . 3 . . . . 38 TYR HE* . 16040 1 326 . 1 1 38 38 TYR HE2 H 1 6.582 0.010 . 3 . . . . 38 TYR HE* . 16040 1 327 . 1 1 38 38 TYR N N 15 129.369 0.010 . 1 . . . . 38 TYR N . 16040 1 328 . 1 1 39 39 SER H H 1 7.608 0.010 . 1 . . . . 39 SER HN . 16040 1 329 . 1 1 39 39 SER HA H 1 4.298 0.010 . 1 . . . . 39 SER HA . 16040 1 330 . 1 1 39 39 SER HB2 H 1 3.106 0.010 . 2 . . . . 39 SER HB2 . 16040 1 331 . 1 1 39 39 SER HB3 H 1 4.103 0.010 . 2 . . . . 39 SER HB3 . 16040 1 332 . 1 1 39 39 SER N N 15 121.061 0.010 . 1 . . . . 39 SER N . 16040 1 333 . 1 1 40 40 ARG H H 1 8.441 0.010 . 1 . . . . 40 ARG HN . 16040 1 334 . 1 1 40 40 ARG HA H 1 4.633 0.010 . 1 . . . . 40 ARG HA . 16040 1 335 . 1 1 40 40 ARG HB2 H 1 1.780 0.010 . 2 . . . . 40 ARG HB2 . 16040 1 336 . 1 1 40 40 ARG HB3 H 1 1.813 0.010 . 2 . . . . 40 ARG HB3 . 16040 1 337 . 1 1 40 40 ARG HD2 H 1 3.232 0.010 . 2 . . . . 40 ARG HD2 . 16040 1 338 . 1 1 40 40 ARG HD3 H 1 3.282 0.010 . 2 . . . . 40 ARG HD3 . 16040 1 339 . 1 1 40 40 ARG HE H 1 7.194 0.010 . 1 . . . . 40 ARG HE . 16040 1 340 . 1 1 40 40 ARG HG2 H 1 1.613 0.010 . 2 . . . . 40 ARG HG2 . 16040 1 341 . 1 1 40 40 ARG HG3 H 1 1.614 0.010 . 2 . . . . 40 ARG HG3 . 16040 1 342 . 1 1 40 40 ARG N N 15 123.846 0.010 . 1 . . . . 40 ARG N . 16040 1 343 . 1 1 41 41 PRO HA H 1 3.881 0.010 . 1 . . . . 41 PRO HA . 16040 1 344 . 1 1 41 41 PRO HB2 H 1 2.317 0.010 . 2 . . . . 41 PRO HB2 . 16040 1 345 . 1 1 41 41 PRO HB3 H 1 2.318 0.010 . 2 . . . . 41 PRO HB3 . 16040 1 346 . 1 1 41 41 PRO HD2 H 1 3.611 0.010 . 2 . . . . 41 PRO HD2 . 16040 1 347 . 1 1 41 41 PRO HD3 H 1 3.832 0.010 . 2 . . . . 41 PRO HD3 . 16040 1 348 . 1 1 41 41 PRO HG2 H 1 2.227 0.010 . 2 . . . . 41 PRO HG2 . 16040 1 349 . 1 1 41 41 PRO HG3 H 1 2.228 0.010 . 2 . . . . 41 PRO HG3 . 16040 1 350 . 1 1 42 42 GLU H H 1 9.361 0.010 . 1 . . . . 42 GLU HN . 16040 1 351 . 1 1 42 42 GLU HA H 1 4.103 0.010 . 1 . . . . 42 GLU HA . 16040 1 352 . 1 1 42 42 GLU HB2 H 1 1.929 0.010 . 2 . . . . 42 GLU HB2 . 16040 1 353 . 1 1 42 42 GLU HB3 H 1 1.930 0.010 . 2 . . . . 42 GLU HB3 . 16040 1 354 . 1 1 42 42 GLU HG2 H 1 2.256 0.010 . 2 . . . . 42 GLU HG2 . 16040 1 355 . 1 1 42 42 GLU HG3 H 1 2.257 0.010 . 2 . . . . 42 GLU HG3 . 16040 1 356 . 1 1 42 42 GLU N N 15 118.394 0.010 . 1 . . . . 42 GLU N . 16040 1 357 . 1 1 43 43 PRO HA H 1 4.371 0.010 . 1 . . . . 43 PRO HA . 16040 1 358 . 1 1 43 43 PRO HB2 H 1 2.387 0.010 . 2 . . . . 43 PRO HB2 . 16040 1 359 . 1 1 43 43 PRO HB3 H 1 2.388 0.010 . 2 . . . . 43 PRO HB3 . 16040 1 360 . 1 1 43 43 PRO HD2 H 1 3.832 0.010 . 2 . . . . 43 PRO HD2 . 16040 1 361 . 1 1 43 43 PRO HD3 H 1 3.877 0.010 . 2 . . . . 43 PRO HD3 . 16040 1 362 . 1 1 43 43 PRO HG2 H 1 2.023 0.010 . 2 . . . . 43 PRO HG2 . 16040 1 363 . 1 1 43 43 PRO HG3 H 1 2.024 0.010 . 2 . . . . 43 PRO HG3 . 16040 1 364 . 1 1 44 44 VAL H H 1 6.810 0.010 . 1 . . . . 44 VAL HN . 16040 1 365 . 1 1 44 44 VAL HA H 1 3.823 0.010 . 1 . . . . 44 VAL HA . 16040 1 366 . 1 1 44 44 VAL HB H 1 2.510 0.010 . 1 . . . . 44 VAL HB . 16040 1 367 . 1 1 44 44 VAL HG11 H 1 1.185 0.010 . 1 . . . . 44 VAL HG1* . 16040 1 368 . 1 1 44 44 VAL HG12 H 1 1.185 0.010 . 1 . . . . 44 VAL HG1* . 16040 1 369 . 1 1 44 44 VAL HG13 H 1 1.185 0.010 . 1 . . . . 44 VAL HG1* . 16040 1 370 . 1 1 44 44 VAL HG21 H 1 1.112 0.010 . 1 . . . . 44 VAL HG2* . 16040 1 371 . 1 1 44 44 VAL HG22 H 1 1.112 0.010 . 1 . . . . 44 VAL HG2* . 16040 1 372 . 1 1 44 44 VAL HG23 H 1 1.112 0.010 . 1 . . . . 44 VAL HG2* . 16040 1 373 . 1 1 44 44 VAL N N 15 116.005 0.010 . 1 . . . . 44 VAL N . 16040 1 374 . 1 1 45 45 LYS H H 1 8.399 0.010 . 1 . . . . 45 LYS HN . 16040 1 375 . 1 1 45 45 LYS HA H 1 2.748 0.010 . 1 . . . . 45 LYS HA . 16040 1 376 . 1 1 45 45 LYS HB2 H 1 1.496 0.010 . 2 . . . . 45 LYS HB2 . 16040 1 377 . 1 1 45 45 LYS HB3 H 1 1.497 0.010 . 2 . . . . 45 LYS HB3 . 16040 1 378 . 1 1 45 45 LYS HD2 H 1 1.346 0.010 . 2 . . . . 45 LYS HD2 . 16040 1 379 . 1 1 45 45 LYS HD3 H 1 1.347 0.010 . 2 . . . . 45 LYS HD3 . 16040 1 380 . 1 1 45 45 LYS HG2 H 1 1.146 0.010 . 2 . . . . 45 LYS HG2 . 16040 1 381 . 1 1 45 45 LYS HG3 H 1 1.147 0.010 . 2 . . . . 45 LYS HG3 . 16040 1 382 . 1 1 45 45 LYS N N 15 121.531 0.010 . 1 . . . . 45 LYS N . 16040 1 383 . 1 1 46 46 ALA H H 1 7.601 0.010 . 1 . . . . 46 ALA HN . 16040 1 384 . 1 1 46 46 ALA HA H 1 3.823 0.010 . 1 . . . . 46 ALA HA . 16040 1 385 . 1 1 46 46 ALA HB1 H 1 1.343 0.010 . 1 . . . . 46 ALA HB* . 16040 1 386 . 1 1 46 46 ALA HB2 H 1 1.343 0.010 . 1 . . . . 46 ALA HB* . 16040 1 387 . 1 1 46 46 ALA HB3 H 1 1.343 0.010 . 1 . . . . 46 ALA HB* . 16040 1 388 . 1 1 46 46 ALA N N 15 115.333 0.010 . 1 . . . . 46 ALA N . 16040 1 389 . 1 1 47 47 ILE H H 1 7.345 0.010 . 1 . . . . 47 ILE HN . 16040 1 390 . 1 1 47 47 ILE HA H 1 3.592 0.010 . 1 . . . . 47 ILE HA . 16040 1 391 . 1 1 47 47 ILE HB H 1 1.623 0.010 . 1 . . . . 47 ILE HB . 16040 1 392 . 1 1 47 47 ILE HD11 H 1 0.432 0.010 . 1 . . . . 47 ILE HD1* . 16040 1 393 . 1 1 47 47 ILE HD12 H 1 0.432 0.010 . 1 . . . . 47 ILE HD1* . 16040 1 394 . 1 1 47 47 ILE HD13 H 1 0.432 0.010 . 1 . . . . 47 ILE HD1* . 16040 1 395 . 1 1 47 47 ILE HG12 H 1 1.166 0.010 . 2 . . . . 47 ILE HG12 . 16040 1 396 . 1 1 47 47 ILE HG13 H 1 1.167 0.010 . 2 . . . . 47 ILE HG13 . 16040 1 397 . 1 1 47 47 ILE HG21 H 1 0.583 0.010 . 1 . . . . 47 ILE HG2* . 16040 1 398 . 1 1 47 47 ILE HG22 H 1 0.583 0.010 . 1 . . . . 47 ILE HG2* . 16040 1 399 . 1 1 47 47 ILE HG23 H 1 0.583 0.010 . 1 . . . . 47 ILE HG2* . 16040 1 400 . 1 1 47 47 ILE N N 15 119.605 0.010 . 1 . . . . 47 ILE N . 16040 1 401 . 1 1 48 48 CYS H H 1 7.094 0.010 . 1 . . . . 48 CYS HN . 16040 1 402 . 1 1 48 48 CYS HA H 1 4.589 0.010 . 1 . . . . 48 CYS HA . 16040 1 403 . 1 1 48 48 CYS HB2 H 1 1.756 0.010 . 2 . . . . 48 CYS HB2 . 16040 1 404 . 1 1 48 48 CYS HB3 H 1 2.851 0.010 . 2 . . . . 48 CYS HB3 . 16040 1 405 . 1 1 48 48 CYS N N 15 111.804 0.010 . 1 . . . . 48 CYS N . 16040 1 406 . 1 1 49 49 LYS H H 1 7.223 0.010 . 1 . . . . 49 LYS HN . 16040 1 407 . 1 1 49 49 LYS HA H 1 3.787 0.010 . 1 . . . . 49 LYS HA . 16040 1 408 . 1 1 49 49 LYS HB2 H 1 1.695 0.010 . 2 . . . . 49 LYS HB2 . 16040 1 409 . 1 1 49 49 LYS HB3 H 1 1.696 0.010 . 2 . . . . 49 LYS HB3 . 16040 1 410 . 1 1 49 49 LYS HD2 H 1 1.475 0.010 . 2 . . . . 49 LYS HD2 . 16040 1 411 . 1 1 49 49 LYS HD3 H 1 1.475 0.010 . 2 . . . . 49 LYS HD3 . 16040 1 412 . 1 1 49 49 LYS HE2 H 1 2.863 0.010 . 2 . . . . 49 LYS HE* . 16040 1 413 . 1 1 49 49 LYS HE3 H 1 2.863 0.010 . 2 . . . . 49 LYS HE* . 16040 1 414 . 1 1 49 49 LYS HG2 H 1 1.306 0.010 . 2 . . . . 49 LYS HG2 . 16040 1 415 . 1 1 49 49 LYS HG3 H 1 1.307 0.010 . 2 . . . . 49 LYS HG3 . 16040 1 416 . 1 1 49 49 LYS N N 15 123.849 0.010 . 1 . . . . 49 LYS N . 16040 1 417 . 1 1 50 50 GLY H H 1 9.126 0.010 . 1 . . . . 50 GLY HN . 16040 1 418 . 1 1 50 50 GLY HA2 H 1 4.018 0.010 . 2 . . . . 50 GLY HA1 . 16040 1 419 . 1 1 50 50 GLY HA3 H 1 3.398 0.010 . 2 . . . . 50 GLY HA2 . 16040 1 420 . 1 1 50 50 GLY N N 15 114.134 0.010 . 1 . . . . 50 GLY N . 16040 1 421 . 1 1 51 51 ILE H H 1 7.759 0.010 . 1 . . . . 51 ILE HN . 16040 1 422 . 1 1 51 51 ILE HA H 1 3.904 0.010 . 1 . . . . 51 ILE HA . 16040 1 423 . 1 1 51 51 ILE HB H 1 1.683 0.010 . 1 . . . . 51 ILE HB . 16040 1 424 . 1 1 51 51 ILE HD11 H 1 0.989 0.010 . 1 . . . . 51 ILE HD1* . 16040 1 425 . 1 1 51 51 ILE HD12 H 1 0.989 0.010 . 1 . . . . 51 ILE HD1* . 16040 1 426 . 1 1 51 51 ILE HD13 H 1 0.989 0.010 . 1 . . . . 51 ILE HD1* . 16040 1 427 . 1 1 51 51 ILE HG12 H 1 1.161 0.010 . 2 . . . . 51 ILE HG12 . 16040 1 428 . 1 1 51 51 ILE HG13 H 1 1.246 0.010 . 2 . . . . 51 ILE HG13 . 16040 1 429 . 1 1 51 51 ILE HG21 H 1 0.644 0.010 . 1 . . . . 51 ILE HG2* . 16040 1 430 . 1 1 51 51 ILE HG22 H 1 0.644 0.010 . 1 . . . . 51 ILE HG2* . 16040 1 431 . 1 1 51 51 ILE HG23 H 1 0.644 0.010 . 1 . . . . 51 ILE HG2* . 16040 1 432 . 1 1 51 51 ILE N N 15 122.336 0.010 . 1 . . . . 51 ILE N . 16040 1 433 . 1 1 52 52 ILE H H 1 8.204 0.010 . 1 . . . . 52 ILE HN . 16040 1 434 . 1 1 52 52 ILE HA H 1 3.706 0.010 . 1 . . . . 52 ILE HA . 16040 1 435 . 1 1 52 52 ILE HB H 1 1.824 0.010 . 1 . . . . 52 ILE HB . 16040 1 436 . 1 1 52 52 ILE HD11 H 1 0.668 0.010 . 1 . . . . 52 ILE HD1* . 16040 1 437 . 1 1 52 52 ILE HD12 H 1 0.668 0.010 . 1 . . . . 52 ILE HD1* . 16040 1 438 . 1 1 52 52 ILE HD13 H 1 0.668 0.010 . 1 . . . . 52 ILE HD1* . 16040 1 439 . 1 1 52 52 ILE HG12 H 1 1.088 0.010 . 2 . . . . 52 ILE HG12 . 16040 1 440 . 1 1 52 52 ILE HG13 H 1 1.322 0.010 . 2 . . . . 52 ILE HG13 . 16040 1 441 . 1 1 52 52 ILE HG21 H 1 0.866 0.010 . 1 . . . . 52 ILE HG2* . 16040 1 442 . 1 1 52 52 ILE HG22 H 1 0.866 0.010 . 1 . . . . 52 ILE HG2* . 16040 1 443 . 1 1 52 52 ILE HG23 H 1 0.866 0.010 . 1 . . . . 52 ILE HG2* . 16040 1 444 . 1 1 52 52 ILE N N 15 128.010 0.010 . 1 . . . . 52 ILE N . 16040 1 445 . 1 1 53 53 ALA H H 1 7.722 0.010 . 1 . . . . 53 ALA HN . 16040 1 446 . 1 1 53 53 ALA HA H 1 4.220 0.010 . 1 . . . . 53 ALA HA . 16040 1 447 . 1 1 53 53 ALA HB1 H 1 1.287 0.010 . 1 . . . . 53 ALA HB* . 16040 1 448 . 1 1 53 53 ALA HB2 H 1 1.287 0.010 . 1 . . . . 53 ALA HB* . 16040 1 449 . 1 1 53 53 ALA HB3 H 1 1.287 0.010 . 1 . . . . 53 ALA HB* . 16040 1 450 . 1 1 53 53 ALA N N 15 123.517 0.010 . 1 . . . . 53 ALA N . 16040 1 451 . 1 1 54 54 SER H H 1 7.929 0.010 . 1 . . . . 54 SER HN . 16040 1 452 . 1 1 54 54 SER HA H 1 4.885 0.010 . 1 . . . . 54 SER HA . 16040 1 453 . 1 1 54 54 SER HB2 H 1 3.604 0.010 . 2 . . . . 54 SER HB2 . 16040 1 454 . 1 1 54 54 SER HB3 H 1 3.605 0.010 . 2 . . . . 54 SER HB3 . 16040 1 455 . 1 1 54 54 SER N N 15 112.613 0.010 . 1 . . . . 54 SER N . 16040 1 456 . 1 1 55 55 LYS H H 1 8.361 0.010 . 1 . . . . 55 LYS HN . 16040 1 457 . 1 1 55 55 LYS HA H 1 4.261 0.010 . 1 . . . . 55 LYS HA . 16040 1 458 . 1 1 55 55 LYS HB2 H 1 1.731 0.010 . 2 . . . . 55 LYS HB2 . 16040 1 459 . 1 1 55 55 LYS HB3 H 1 1.732 0.010 . 2 . . . . 55 LYS HB3 . 16040 1 460 . 1 1 55 55 LYS HD2 H 1 1.500 0.010 . 2 . . . . 55 LYS HD2 . 16040 1 461 . 1 1 55 55 LYS HD3 H 1 1.501 0.010 . 2 . . . . 55 LYS HD3 . 16040 1 462 . 1 1 55 55 LYS HE2 H 1 2.863 0.010 . 2 . . . . 55 LYS HE* . 16040 1 463 . 1 1 55 55 LYS HE3 H 1 2.863 0.010 . 2 . . . . 55 LYS HE* . 16040 1 464 . 1 1 55 55 LYS HG2 H 1 1.281 0.010 . 2 . . . . 55 LYS HG2 . 16040 1 465 . 1 1 55 55 LYS HG3 H 1 1.282 0.010 . 2 . . . . 55 LYS HG3 . 16040 1 466 . 1 1 55 55 LYS N N 15 126.198 0.010 . 1 . . . . 55 LYS N . 16040 1 467 . 1 1 56 56 ASN H H 1 8.677 0.010 . 1 . . . . 56 ASN HN . 16040 1 468 . 1 1 56 56 ASN HA H 1 5.629 0.010 . 1 . . . . 56 ASN HA . 16040 1 469 . 1 1 56 56 ASN HB2 H 1 2.273 0.010 . 2 . . . . 56 ASN HB2 . 16040 1 470 . 1 1 56 56 ASN HB3 H 1 2.662 0.010 . 2 . . . . 56 ASN HB3 . 16040 1 471 . 1 1 56 56 ASN HD21 H 1 7.550 0.010 . 2 . . . . 56 ASN HD21 . 16040 1 472 . 1 1 56 56 ASN HD22 H 1 7.005 0.010 . 2 . . . . 56 ASN HD22 . 16040 1 473 . 1 1 56 56 ASN N N 15 125.474 0.010 . 1 . . . . 56 ASN N . 16040 1 474 . 1 1 56 56 ASN ND2 N 15 112.160 0.010 . 1 . . . . 56 ASN ND2 . 16040 1 475 . 1 1 57 57 VAL H H 1 9.071 0.010 . 1 . . . . 57 VAL HN . 16040 1 476 . 1 1 57 57 VAL HA H 1 4.102 0.010 . 1 . . . . 57 VAL HA . 16040 1 477 . 1 1 57 57 VAL HB H 1 1.695 0.010 . 1 . . . . 57 VAL HB . 16040 1 478 . 1 1 57 57 VAL HG11 H 1 0.645 0.010 . 1 . . . . 57 VAL HG1* . 16040 1 479 . 1 1 57 57 VAL HG12 H 1 0.645 0.010 . 1 . . . . 57 VAL HG1* . 16040 1 480 . 1 1 57 57 VAL HG13 H 1 0.645 0.010 . 1 . . . . 57 VAL HG1* . 16040 1 481 . 1 1 57 57 VAL HG21 H 1 0.528 0.010 . 1 . . . . 57 VAL HG2* . 16040 1 482 . 1 1 57 57 VAL HG22 H 1 0.528 0.010 . 1 . . . . 57 VAL HG2* . 16040 1 483 . 1 1 57 57 VAL HG23 H 1 0.528 0.010 . 1 . . . . 57 VAL HG2* . 16040 1 484 . 1 1 57 57 VAL N N 15 122.842 0.010 . 1 . . . . 57 VAL N . 16040 1 485 . 1 1 58 58 LEU H H 1 8.003 0.010 . 1 . . . . 58 LEU HN . 16040 1 486 . 1 1 58 58 LEU HA H 1 4.565 0.010 . 1 . . . . 58 LEU HA . 16040 1 487 . 1 1 58 58 LEU HB2 H 1 1.124 0.010 . 2 . . . . 58 LEU HB2 . 16040 1 488 . 1 1 58 58 LEU HB3 H 1 1.551 0.010 . 2 . . . . 58 LEU HB3 . 16040 1 489 . 1 1 58 58 LEU HD11 H 1 0.727 0.010 . 1 . . . . 58 LEU HD1* . 16040 1 490 . 1 1 58 58 LEU HD12 H 1 0.727 0.010 . 1 . . . . 58 LEU HD1* . 16040 1 491 . 1 1 58 58 LEU HD13 H 1 0.727 0.010 . 1 . . . . 58 LEU HD1* . 16040 1 492 . 1 1 58 58 LEU HD21 H 1 0.522 0.010 . 1 . . . . 58 LEU HD2* . 16040 1 493 . 1 1 58 58 LEU HD22 H 1 0.522 0.010 . 1 . . . . 58 LEU HD2* . 16040 1 494 . 1 1 58 58 LEU HD23 H 1 0.522 0.010 . 1 . . . . 58 LEU HD2* . 16040 1 495 . 1 1 58 58 LEU HG H 1 1.683 0.010 . 1 . . . . 58 LEU HG . 16040 1 496 . 1 1 58 58 LEU N N 15 126.427 0.010 . 1 . . . . 58 LEU N . 16040 1 497 . 1 1 59 59 THR H H 1 8.729 0.010 . 1 . . . . 59 THR HN . 16040 1 498 . 1 1 59 59 THR HA H 1 4.018 0.010 . 1 . . . . 59 THR HA . 16040 1 499 . 1 1 59 59 THR HB H 1 4.121 0.010 . 1 . . . . 59 THR HB . 16040 1 500 . 1 1 59 59 THR HG21 H 1 1.100 0.010 . 1 . . . . 59 THR HG2* . 16040 1 501 . 1 1 59 59 THR HG22 H 1 1.100 0.010 . 1 . . . . 59 THR HG2* . 16040 1 502 . 1 1 59 59 THR HG23 H 1 1.100 0.010 . 1 . . . . 59 THR HG2* . 16040 1 503 . 1 1 59 59 THR N N 15 117.852 0.010 . 1 . . . . 59 THR N . 16040 1 504 . 1 1 60 60 THR H H 1 8.464 0.010 . 1 . . . . 60 THR HN . 16040 1 505 . 1 1 60 60 THR HA H 1 4.152 0.010 . 1 . . . . 60 THR HA . 16040 1 506 . 1 1 60 60 THR HB H 1 4.273 0.010 . 1 . . . . 60 THR HB . 16040 1 507 . 1 1 60 60 THR HG21 H 1 1.173 0.010 . 1 . . . . 60 THR HG2* . 16040 1 508 . 1 1 60 60 THR HG22 H 1 1.173 0.010 . 1 . . . . 60 THR HG2* . 16040 1 509 . 1 1 60 60 THR HG23 H 1 1.173 0.010 . 1 . . . . 60 THR HG2* . 16040 1 510 . 1 1 60 60 THR N N 15 110.875 0.010 . 1 . . . . 60 THR N . 16040 1 511 . 1 1 61 61 SER H H 1 7.518 0.010 . 1 . . . . 61 SER HN . 16040 1 512 . 1 1 61 61 SER HA H 1 4.553 0.010 . 1 . . . . 61 SER HA . 16040 1 513 . 1 1 61 61 SER HB2 H 1 3.567 0.010 . 2 . . . . 61 SER HB2 . 16040 1 514 . 1 1 61 61 SER HB3 H 1 3.568 0.010 . 2 . . . . 61 SER HB3 . 16040 1 515 . 1 1 61 61 SER N N 15 114.743 0.010 . 1 . . . . 61 SER N . 16040 1 516 . 1 1 62 62 GLU H H 1 8.363 0.010 . 1 . . . . 62 GLU HN . 16040 1 517 . 1 1 62 62 GLU HA H 1 4.045 0.010 . 1 . . . . 62 GLU HA . 16040 1 518 . 1 1 62 62 GLU HB2 H 1 1.579 0.010 . 2 . . . . 62 GLU HB2 . 16040 1 519 . 1 1 62 62 GLU HB3 H 1 1.661 0.010 . 2 . . . . 62 GLU HB3 . 16040 1 520 . 1 1 62 62 GLU HG2 H 1 2.005 0.010 . 2 . . . . 62 GLU HG2 . 16040 1 521 . 1 1 62 62 GLU HG3 H 1 2.117 0.010 . 2 . . . . 62 GLU HG3 . 16040 1 522 . 1 1 62 62 GLU N N 15 119.457 0.010 . 1 . . . . 62 GLU N . 16040 1 523 . 1 1 63 63 PHE H H 1 8.539 0.010 . 1 . . . . 63 PHE HN . 16040 1 524 . 1 1 63 63 PHE HA H 1 4.512 0.010 . 1 . . . . 63 PHE HA . 16040 1 525 . 1 1 63 63 PHE HB2 H 1 2.923 0.010 . 2 . . . . 63 PHE HB2 . 16040 1 526 . 1 1 63 63 PHE HB3 H 1 3.250 0.010 . 2 . . . . 63 PHE HB3 . 16040 1 527 . 1 1 63 63 PHE HD1 H 1 7.362 0.010 . 3 . . . . 63 PHE HD* . 16040 1 528 . 1 1 63 63 PHE HD2 H 1 7.362 0.010 . 3 . . . . 63 PHE HD* . 16040 1 529 . 1 1 63 63 PHE HE1 H 1 7.361 0.010 . 3 . . . . 63 PHE HE* . 16040 1 530 . 1 1 63 63 PHE HE2 H 1 7.361 0.010 . 3 . . . . 63 PHE HE* . 16040 1 531 . 1 1 63 63 PHE HZ H 1 7.360 0.010 . 1 . . . . 63 PHE HZ . 16040 1 532 . 1 1 63 63 PHE N N 15 121.301 0.010 . 1 . . . . 63 PHE N . 16040 1 533 . 1 1 64 64 TYR H H 1 9.648 0.010 . 1 . . . . 64 TYR HN . 16040 1 534 . 1 1 64 64 TYR HA H 1 4.839 0.010 . 1 . . . . 64 TYR HA . 16040 1 535 . 1 1 64 64 TYR HB2 H 1 2.922 0.010 . 2 . . . . 64 TYR HB2 . 16040 1 536 . 1 1 64 64 TYR HB3 H 1 3.495 0.010 . 2 . . . . 64 TYR HB3 . 16040 1 537 . 1 1 64 64 TYR HD1 H 1 7.310 0.010 . 3 . . . . 64 TYR HD* . 16040 1 538 . 1 1 64 64 TYR HD2 H 1 7.310 0.010 . 3 . . . . 64 TYR HD* . 16040 1 539 . 1 1 64 64 TYR HE1 H 1 6.834 0.010 . 3 . . . . 64 TYR HE* . 16040 1 540 . 1 1 64 64 TYR HE2 H 1 6.834 0.010 . 3 . . . . 64 TYR HE* . 16040 1 541 . 1 1 64 64 TYR N N 15 119.292 0.010 . 1 . . . . 64 TYR N . 16040 1 542 . 1 1 65 65 LEU H H 1 9.244 0.010 . 1 . . . . 65 LEU HN . 16040 1 543 . 1 1 65 65 LEU HA H 1 5.308 0.010 . 1 . . . . 65 LEU HA . 16040 1 544 . 1 1 65 65 LEU HB2 H 1 1.881 0.010 . 2 . . . . 65 LEU HB2 . 16040 1 545 . 1 1 65 65 LEU HB3 H 1 1.882 0.010 . 2 . . . . 65 LEU HB3 . 16040 1 546 . 1 1 65 65 LEU HD11 H 1 0.863 0.010 . 1 . . . . 65 LEU HD1* . 16040 1 547 . 1 1 65 65 LEU HD12 H 1 0.863 0.010 . 1 . . . . 65 LEU HD1* . 16040 1 548 . 1 1 65 65 LEU HD13 H 1 0.863 0.010 . 1 . . . . 65 LEU HD1* . 16040 1 549 . 1 1 65 65 LEU HD21 H 1 0.607 0.010 . 1 . . . . 65 LEU HD2* . 16040 1 550 . 1 1 65 65 LEU HD22 H 1 0.607 0.010 . 1 . . . . 65 LEU HD2* . 16040 1 551 . 1 1 65 65 LEU HD23 H 1 0.607 0.010 . 1 . . . . 65 LEU HD2* . 16040 1 552 . 1 1 65 65 LEU HG H 1 1.167 0.010 . 1 . . . . 65 LEU HG . 16040 1 553 . 1 1 65 65 LEU N N 15 125.959 0.010 . 1 . . . . 65 LEU N . 16040 1 554 . 1 1 66 66 SER H H 1 9.446 0.010 . 1 . . . . 66 SER HN . 16040 1 555 . 1 1 66 66 SER HA H 1 5.096 0.010 . 1 . . . . 66 SER HA . 16040 1 556 . 1 1 66 66 SER HB2 H 1 3.623 0.010 . 2 . . . . 66 SER HB2 . 16040 1 557 . 1 1 66 66 SER HB3 H 1 3.845 0.010 . 2 . . . . 66 SER HB3 . 16040 1 558 . 1 1 66 66 SER N N 15 121.031 0.010 . 1 . . . . 66 SER N . 16040 1 559 . 1 1 67 67 ASP H H 1 9.348 0.010 . 1 . . . . 67 ASP HN . 16040 1 560 . 1 1 67 67 ASP HA H 1 5.459 0.010 . 1 . . . . 67 ASP HA . 16040 1 561 . 1 1 67 67 ASP HB2 H 1 2.431 0.010 . 2 . . . . 67 ASP HB2 . 16040 1 562 . 1 1 67 67 ASP HB3 H 1 2.516 0.010 . 2 . . . . 67 ASP HB3 . 16040 1 563 . 1 1 67 67 ASP N N 15 125.532 0.010 . 1 . . . . 67 ASP N . 16040 1 564 . 1 1 68 68 CYS H H 1 8.355 0.010 . 1 . . . . 68 CYS HN . 16040 1 565 . 1 1 68 68 CYS HA H 1 5.131 0.010 . 1 . . . . 68 CYS HA . 16040 1 566 . 1 1 68 68 CYS HB2 H 1 2.280 0.010 . 2 . . . . 68 CYS HB2 . 16040 1 567 . 1 1 68 68 CYS HB3 H 1 2.607 0.010 . 2 . . . . 68 CYS HB3 . 16040 1 568 . 1 1 68 68 CYS N N 15 118.606 0.010 . 1 . . . . 68 CYS N . 16040 1 569 . 1 1 69 69 ASN H H 1 8.586 0.010 . 1 . . . . 69 ASN HN . 16040 1 570 . 1 1 69 69 ASN HA H 1 5.471 0.010 . 1 . . . . 69 ASN HA . 16040 1 571 . 1 1 69 69 ASN HB2 H 1 2.647 0.010 . 2 . . . . 69 ASN HB2 . 16040 1 572 . 1 1 69 69 ASN HB3 H 1 2.735 0.010 . 2 . . . . 69 ASN HB3 . 16040 1 573 . 1 1 69 69 ASN HD21 H 1 7.342 0.010 . 2 . . . . 69 ASN HD21 . 16040 1 574 . 1 1 69 69 ASN HD22 H 1 7.095 0.010 . 2 . . . . 69 ASN HD22 . 16040 1 575 . 1 1 69 69 ASN N N 15 121.731 0.010 . 1 . . . . 69 ASN N . 16040 1 576 . 1 1 69 69 ASN ND2 N 15 111.409 0.010 . 1 . . . . 69 ASN ND2 . 16040 1 577 . 1 1 70 70 VAL H H 1 9.041 0.010 . 1 . . . . 70 VAL HN . 16040 1 578 . 1 1 70 70 VAL HA H 1 3.446 0.010 . 1 . . . . 70 VAL HA . 16040 1 579 . 1 1 70 70 VAL HB H 1 2.082 0.010 . 1 . . . . 70 VAL HB . 16040 1 580 . 1 1 70 70 VAL HG11 H 1 0.831 0.010 . 1 . . . . 70 VAL HG1* . 16040 1 581 . 1 1 70 70 VAL HG12 H 1 0.831 0.010 . 1 . . . . 70 VAL HG1* . 16040 1 582 . 1 1 70 70 VAL HG13 H 1 0.831 0.010 . 1 . . . . 70 VAL HG1* . 16040 1 583 . 1 1 70 70 VAL HG21 H 1 0.668 0.010 . 1 . . . . 70 VAL HG2* . 16040 1 584 . 1 1 70 70 VAL HG22 H 1 0.668 0.010 . 1 . . . . 70 VAL HG2* . 16040 1 585 . 1 1 70 70 VAL HG23 H 1 0.668 0.010 . 1 . . . . 70 VAL HG2* . 16040 1 586 . 1 1 70 70 VAL N N 15 128.654 0.010 . 1 . . . . 70 VAL N . 16040 1 587 . 1 1 71 71 THR H H 1 8.073 0.010 . 1 . . . . 71 THR HN . 16040 1 588 . 1 1 71 71 THR HA H 1 4.562 0.010 . 1 . . . . 71 THR HA . 16040 1 589 . 1 1 71 71 THR HB H 1 4.771 0.010 . 1 . . . . 71 THR HB . 16040 1 590 . 1 1 71 71 THR HG21 H 1 1.076 0.010 . 1 . . . . 71 THR HG2* . 16040 1 591 . 1 1 71 71 THR HG22 H 1 1.076 0.010 . 1 . . . . 71 THR HG2* . 16040 1 592 . 1 1 71 71 THR HG23 H 1 1.076 0.010 . 1 . . . . 71 THR HG2* . 16040 1 593 . 1 1 71 71 THR N N 15 116.683 0.010 . 1 . . . . 71 THR N . 16040 1 594 . 1 1 72 72 SER H H 1 8.060 0.010 . 1 . . . . 72 SER HN . 16040 1 595 . 1 1 72 72 SER HA H 1 4.102 0.010 . 1 . . . . 72 SER HA . 16040 1 596 . 1 1 72 72 SER HB2 H 1 3.810 0.010 . 2 . . . . 72 SER HB2 . 16040 1 597 . 1 1 72 72 SER HB3 H 1 3.927 0.010 . 2 . . . . 72 SER HB3 . 16040 1 598 . 1 1 73 73 ARG H H 1 7.728 0.010 . 1 . . . . 73 ARG HN . 16040 1 599 . 1 1 73 73 ARG HA H 1 4.577 0.010 . 1 . . . . 73 ARG HA . 16040 1 600 . 1 1 73 73 ARG HB2 H 1 1.380 0.010 . 2 . . . . 73 ARG HB2 . 16040 1 601 . 1 1 73 73 ARG HB3 H 1 1.489 0.010 . 2 . . . . 73 ARG HB3 . 16040 1 602 . 1 1 73 73 ARG HD2 H 1 3.056 0.010 . 2 . . . . 73 ARG HD2 . 16040 1 603 . 1 1 73 73 ARG HD3 H 1 3.057 0.010 . 2 . . . . 73 ARG HD3 . 16040 1 604 . 1 1 73 73 ARG HE H 1 6.954 0.010 . 1 . . . . 73 ARG HE . 16040 1 605 . 1 1 73 73 ARG HG2 H 1 1.418 0.010 . 2 . . . . 73 ARG HG2 . 16040 1 606 . 1 1 73 73 ARG HG3 H 1 1.419 0.010 . 2 . . . . 73 ARG HG3 . 16040 1 607 . 1 1 73 73 ARG N N 15 124.362 0.010 . 1 . . . . 73 ARG N . 16040 1 608 . 1 1 74 74 PRO HA H 1 3.845 0.010 . 1 . . . . 74 PRO HA . 16040 1 609 . 1 1 74 74 PRO HB2 H 1 2.127 0.010 . 2 . . . . 74 PRO HB2 . 16040 1 610 . 1 1 74 74 PRO HB3 H 1 2.128 0.010 . 2 . . . . 74 PRO HB3 . 16040 1 611 . 1 1 74 74 PRO HD2 H 1 3.445 0.010 . 2 . . . . 74 PRO HD2 . 16040 1 612 . 1 1 74 74 PRO HD3 H 1 3.787 0.010 . 2 . . . . 74 PRO HD3 . 16040 1 613 . 1 1 74 74 PRO HG2 H 1 1.950 0.010 . 2 . . . . 74 PRO HG2 . 16040 1 614 . 1 1 74 74 PRO HG3 H 1 1.951 0.010 . 2 . . . . 74 PRO HG3 . 16040 1 615 . 1 1 75 75 CYS H H 1 8.594 0.010 . 1 . . . . 75 CYS HN . 16040 1 616 . 1 1 75 75 CYS HA H 1 4.113 0.010 . 1 . . . . 75 CYS HA . 16040 1 617 . 1 1 75 75 CYS HB2 H 1 3.703 0.010 . 2 . . . . 75 CYS HB2 . 16040 1 618 . 1 1 75 75 CYS HB3 H 1 3.704 0.010 . 2 . . . . 75 CYS HB3 . 16040 1 619 . 1 1 75 75 CYS N N 15 120.291 0.010 . 1 . . . . 75 CYS N . 16040 1 620 . 1 1 76 76 LYS H H 1 7.041 0.010 . 1 . . . . 76 LYS HN . 16040 1 621 . 1 1 76 76 LYS HA H 1 4.745 0.010 . 1 . . . . 76 LYS HA . 16040 1 622 . 1 1 76 76 LYS HB2 H 1 1.542 0.010 . 2 . . . . 76 LYS HB2 . 16040 1 623 . 1 1 76 76 LYS HB3 H 1 1.543 0.010 . 2 . . . . 76 LYS HB3 . 16040 1 624 . 1 1 76 76 LYS HD2 H 1 1.403 0.010 . 2 . . . . 76 LYS HD2 . 16040 1 625 . 1 1 76 76 LYS HD3 H 1 1.404 0.010 . 2 . . . . 76 LYS HD3 . 16040 1 626 . 1 1 76 76 LYS HG2 H 1 1.062 0.010 . 2 . . . . 76 LYS HG2 . 16040 1 627 . 1 1 76 76 LYS HG3 H 1 1.063 0.010 . 2 . . . . 76 LYS HG3 . 16040 1 628 . 1 1 76 76 LYS N N 15 116.469 0.010 . 1 . . . . 76 LYS N . 16040 1 629 . 1 1 77 77 TYR H H 1 9.907 0.010 . 1 . . . . 77 TYR HN . 16040 1 630 . 1 1 77 77 TYR HA H 1 4.301 0.010 . 1 . . . . 77 TYR HA . 16040 1 631 . 1 1 77 77 TYR HB2 H 1 2.513 0.010 . 2 . . . . 77 TYR HB2 . 16040 1 632 . 1 1 77 77 TYR HB3 H 1 2.601 0.010 . 2 . . . . 77 TYR HB3 . 16040 1 633 . 1 1 77 77 TYR HD1 H 1 7.151 0.010 . 3 . . . . 77 TYR HD* . 16040 1 634 . 1 1 77 77 TYR HD2 H 1 7.151 0.010 . 3 . . . . 77 TYR HD* . 16040 1 635 . 1 1 77 77 TYR HE1 H 1 6.305 0.010 . 3 . . . . 77 TYR HE* . 16040 1 636 . 1 1 77 77 TYR HE2 H 1 6.305 0.010 . 3 . . . . 77 TYR HE* . 16040 1 637 . 1 1 77 77 TYR N N 15 123.774 0.010 . 1 . . . . 77 TYR N . 16040 1 638 . 1 1 78 78 LYS H H 1 8.852 0.010 . 1 . . . . 78 LYS HN . 16040 1 639 . 1 1 78 78 LYS HA H 1 4.529 0.010 . 1 . . . . 78 LYS HA . 16040 1 640 . 1 1 78 78 LYS HB2 H 1 1.625 0.010 . 2 . . . . 78 LYS HB2 . 16040 1 641 . 1 1 78 78 LYS HB3 H 1 1.720 0.010 . 2 . . . . 78 LYS HB3 . 16040 1 642 . 1 1 78 78 LYS HD2 H 1 1.597 0.010 . 2 . . . . 78 LYS HD2 . 16040 1 643 . 1 1 78 78 LYS HD3 H 1 1.598 0.010 . 2 . . . . 78 LYS HD3 . 16040 1 644 . 1 1 78 78 LYS HE2 H 1 2.887 0.010 . 2 . . . . 78 LYS HE* . 16040 1 645 . 1 1 78 78 LYS HE3 H 1 2.887 0.010 . 2 . . . . 78 LYS HE* . 16040 1 646 . 1 1 78 78 LYS HG2 H 1 1.330 0.010 . 2 . . . . 78 LYS HG2 . 16040 1 647 . 1 1 78 78 LYS HG3 H 1 1.331 0.010 . 2 . . . . 78 LYS HG3 . 16040 1 648 . 1 1 78 78 LYS HZ1 H 1 7.088 0.010 . 1 . . . . 78 LYS HZ* . 16040 1 649 . 1 1 78 78 LYS HZ2 H 1 7.088 0.010 . 1 . . . . 78 LYS HZ* . 16040 1 650 . 1 1 78 78 LYS HZ3 H 1 7.088 0.010 . 1 . . . . 78 LYS HZ* . 16040 1 651 . 1 1 78 78 LYS N N 15 120.664 0.010 . 1 . . . . 78 LYS N . 16040 1 652 . 1 1 79 79 LEU H H 1 8.392 0.010 . 1 . . . . 79 LEU HN . 16040 1 653 . 1 1 79 79 LEU HA H 1 5.259 0.010 . 1 . . . . 79 LEU HA . 16040 1 654 . 1 1 79 79 LEU HB2 H 1 1.532 0.010 . 2 . . . . 79 LEU HB2 . 16040 1 655 . 1 1 79 79 LEU HB3 H 1 1.730 0.010 . 2 . . . . 79 LEU HB3 . 16040 1 656 . 1 1 79 79 LEU HD11 H 1 0.983 0.010 . 1 . . . . 79 LEU HD1* . 16040 1 657 . 1 1 79 79 LEU HD12 H 1 0.983 0.010 . 1 . . . . 79 LEU HD1* . 16040 1 658 . 1 1 79 79 LEU HD13 H 1 0.983 0.010 . 1 . . . . 79 LEU HD1* . 16040 1 659 . 1 1 79 79 LEU HD21 H 1 0.890 0.010 . 1 . . . . 79 LEU HD2* . 16040 1 660 . 1 1 79 79 LEU HD22 H 1 0.890 0.010 . 1 . . . . 79 LEU HD2* . 16040 1 661 . 1 1 79 79 LEU HD23 H 1 0.890 0.010 . 1 . . . . 79 LEU HD2* . 16040 1 662 . 1 1 79 79 LEU HG H 1 1.322 0.010 . 1 . . . . 79 LEU HG . 16040 1 663 . 1 1 79 79 LEU N N 15 126.842 0.010 . 1 . . . . 79 LEU N . 16040 1 664 . 1 1 80 80 LYS H H 1 9.300 0.010 . 1 . . . . 80 LYS HN . 16040 1 665 . 1 1 80 80 LYS HA H 1 4.745 0.010 . 1 . . . . 80 LYS HA . 16040 1 666 . 1 1 80 80 LYS HB2 H 1 1.693 0.010 . 2 . . . . 80 LYS HB2 . 16040 1 667 . 1 1 80 80 LYS HB3 H 1 1.797 0.010 . 2 . . . . 80 LYS HB3 . 16040 1 668 . 1 1 80 80 LYS HD2 H 1 1.590 0.010 . 2 . . . . 80 LYS HD2 . 16040 1 669 . 1 1 80 80 LYS HD3 H 1 1.510 0.010 . 2 . . . . 80 LYS HD3 . 16040 1 670 . 1 1 80 80 LYS HG2 H 1 1.275 0.010 . 2 . . . . 80 LYS HG2 . 16040 1 671 . 1 1 80 80 LYS HG3 H 1 1.357 0.010 . 2 . . . . 80 LYS HG3 . 16040 1 672 . 1 1 80 80 LYS N N 15 128.617 0.010 . 1 . . . . 80 LYS N . 16040 1 673 . 1 1 81 81 LYS H H 1 9.242 0.010 . 1 . . . . 81 LYS HN . 16040 1 674 . 1 1 81 81 LYS HA H 1 5.159 0.010 . 1 . . . . 81 LYS HA . 16040 1 675 . 1 1 81 81 LYS HB2 H 1 1.730 0.010 . 2 . . . . 81 LYS HB2 . 16040 1 676 . 1 1 81 81 LYS HB3 H 1 1.731 0.010 . 2 . . . . 81 LYS HB3 . 16040 1 677 . 1 1 81 81 LYS HD2 H 1 1.342 0.010 . 2 . . . . 81 LYS HD2 . 16040 1 678 . 1 1 81 81 LYS HD3 H 1 1.520 0.010 . 2 . . . . 81 LYS HD3 . 16040 1 679 . 1 1 81 81 LYS HE2 H 1 2.747 0.010 . 2 . . . . 81 LYS HE* . 16040 1 680 . 1 1 81 81 LYS HE3 H 1 2.747 0.010 . 2 . . . . 81 LYS HE* . 16040 1 681 . 1 1 81 81 LYS HG2 H 1 1.211 0.010 . 2 . . . . 81 LYS HG2 . 16040 1 682 . 1 1 81 81 LYS HG3 H 1 1.472 0.010 . 2 . . . . 81 LYS HG3 . 16040 1 683 . 1 1 81 81 LYS N N 15 130.142 0.010 . 1 . . . . 81 LYS N . 16040 1 684 . 1 1 82 82 SER H H 1 8.828 0.010 . 1 . . . . 82 SER HN . 16040 1 685 . 1 1 82 82 SER HA H 1 4.753 0.010 . 1 . . . . 82 SER HA . 16040 1 686 . 1 1 82 82 SER HB2 H 1 3.828 0.010 . 2 . . . . 82 SER HB2 . 16040 1 687 . 1 1 82 82 SER HB3 H 1 3.829 0.010 . 2 . . . . 82 SER HB3 . 16040 1 688 . 1 1 82 82 SER N N 15 117.009 0.010 . 1 . . . . 82 SER N . 16040 1 689 . 1 1 83 83 THR H H 1 8.402 0.010 . 1 . . . . 83 THR HN . 16040 1 690 . 1 1 83 83 THR HA H 1 5.374 0.010 . 1 . . . . 83 THR HA . 16040 1 691 . 1 1 83 83 THR HB H 1 3.878 0.010 . 1 . . . . 83 THR HB . 16040 1 692 . 1 1 83 83 THR HG21 H 1 0.881 0.010 . 1 . . . . 83 THR HG2* . 16040 1 693 . 1 1 83 83 THR HG22 H 1 0.881 0.010 . 1 . . . . 83 THR HG2* . 16040 1 694 . 1 1 83 83 THR HG23 H 1 0.881 0.010 . 1 . . . . 83 THR HG2* . 16040 1 695 . 1 1 83 83 THR N N 15 115.259 0.010 . 1 . . . . 83 THR N . 16040 1 696 . 1 1 84 84 ASN H H 1 9.053 0.010 . 1 . . . . 84 ASN HN . 16040 1 697 . 1 1 84 84 ASN HA H 1 4.863 0.010 . 1 . . . . 84 ASN HA . 16040 1 698 . 1 1 84 84 ASN HB2 H 1 2.565 0.010 . 2 . . . . 84 ASN HB2 . 16040 1 699 . 1 1 84 84 ASN HB3 H 1 3.051 0.010 . 2 . . . . 84 ASN HB3 . 16040 1 700 . 1 1 84 84 ASN HD21 H 1 7.820 0.010 . 2 . . . . 84 ASN HD21 . 16040 1 701 . 1 1 84 84 ASN HD22 H 1 7.181 0.010 . 2 . . . . 84 ASN HD22 . 16040 1 702 . 1 1 84 84 ASN N N 15 121.758 0.010 . 1 . . . . 84 ASN N . 16040 1 703 . 1 1 84 84 ASN ND2 N 15 111.750 0.010 . 1 . . . . 84 ASN ND2 . 16040 1 704 . 1 1 85 85 LYS H H 1 8.837 0.010 . 1 . . . . 85 LYS HN . 16040 1 705 . 1 1 85 85 LYS HA H 1 4.401 0.010 . 1 . . . . 85 LYS HA . 16040 1 706 . 1 1 85 85 LYS HB2 H 1 1.810 0.010 . 2 . . . . 85 LYS HB2 . 16040 1 707 . 1 1 85 85 LYS HB3 H 1 1.811 0.010 . 2 . . . . 85 LYS HB3 . 16040 1 708 . 1 1 85 85 LYS HD2 H 1 1.454 0.010 . 2 . . . . 85 LYS HD2 . 16040 1 709 . 1 1 85 85 LYS HD3 H 1 1.455 0.010 . 2 . . . . 85 LYS HD3 . 16040 1 710 . 1 1 85 85 LYS HG2 H 1 1.360 0.010 . 2 . . . . 85 LYS HG2 . 16040 1 711 . 1 1 85 85 LYS HG3 H 1 1.361 0.010 . 2 . . . . 85 LYS HG3 . 16040 1 712 . 1 1 85 85 LYS N N 15 120.865 0.010 . 1 . . . . 85 LYS N . 16040 1 713 . 1 1 86 86 PHE H H 1 7.830 0.010 . 1 . . . . 86 PHE HN . 16040 1 714 . 1 1 86 86 PHE HA H 1 4.944 0.010 . 1 . . . . 86 PHE HA . 16040 1 715 . 1 1 86 86 PHE HB2 H 1 2.922 0.010 . 2 . . . . 86 PHE HB2 . 16040 1 716 . 1 1 86 86 PHE HB3 H 1 3.039 0.010 . 2 . . . . 86 PHE HB3 . 16040 1 717 . 1 1 86 86 PHE HD1 H 1 6.751 0.010 . 3 . . . . 86 PHE HD* . 16040 1 718 . 1 1 86 86 PHE HD2 H 1 6.751 0.010 . 3 . . . . 86 PHE HD* . 16040 1 719 . 1 1 86 86 PHE HE1 H 1 6.520 0.010 . 3 . . . . 86 PHE HE* . 16040 1 720 . 1 1 86 86 PHE HE2 H 1 6.520 0.010 . 3 . . . . 86 PHE HE* . 16040 1 721 . 1 1 86 86 PHE HZ H 1 6.285 0.010 . 1 . . . . 86 PHE HZ . 16040 1 722 . 1 1 86 86 PHE N N 15 114.090 0.010 . 1 . . . . 86 PHE N . 16040 1 723 . 1 1 87 87 ALA H H 1 8.702 0.010 . 1 . . . . 87 ALA HN . 16040 1 724 . 1 1 87 87 ALA HA H 1 5.715 0.010 . 1 . . . . 87 ALA HA . 16040 1 725 . 1 1 87 87 ALA HB1 H 1 0.899 0.010 . 1 . . . . 87 ALA HB* . 16040 1 726 . 1 1 87 87 ALA HB2 H 1 0.899 0.010 . 1 . . . . 87 ALA HB* . 16040 1 727 . 1 1 87 87 ALA HB3 H 1 0.899 0.010 . 1 . . . . 87 ALA HB* . 16040 1 728 . 1 1 87 87 ALA N N 15 121.161 0.010 . 1 . . . . 87 ALA N . 16040 1 729 . 1 1 88 88 VAL H H 1 8.472 0.010 . 1 . . . . 88 VAL HN . 16040 1 730 . 1 1 88 88 VAL HA H 1 4.918 0.010 . 1 . . . . 88 VAL HA . 16040 1 731 . 1 1 88 88 VAL HB H 1 2.073 0.010 . 1 . . . . 88 VAL HB . 16040 1 732 . 1 1 88 88 VAL HG11 H 1 1.009 0.010 . 1 . . . . 88 VAL HG1* . 16040 1 733 . 1 1 88 88 VAL HG12 H 1 1.009 0.010 . 1 . . . . 88 VAL HG1* . 16040 1 734 . 1 1 88 88 VAL HG13 H 1 1.009 0.010 . 1 . . . . 88 VAL HG1* . 16040 1 735 . 1 1 88 88 VAL HG21 H 1 0.547 0.010 . 1 . . . . 88 VAL HG2* . 16040 1 736 . 1 1 88 88 VAL HG22 H 1 0.547 0.010 . 1 . . . . 88 VAL HG2* . 16040 1 737 . 1 1 88 88 VAL HG23 H 1 0.547 0.010 . 1 . . . . 88 VAL HG2* . 16040 1 738 . 1 1 88 88 VAL N N 15 112.187 0.010 . 1 . . . . 88 VAL N . 16040 1 739 . 1 1 89 89 THR H H 1 8.469 0.010 . 1 . . . . 89 THR HN . 16040 1 740 . 1 1 89 89 THR HA H 1 4.760 0.010 . 1 . . . . 89 THR HA . 16040 1 741 . 1 1 89 89 THR HB H 1 3.714 0.010 . 1 . . . . 89 THR HB . 16040 1 742 . 1 1 89 89 THR HG21 H 1 1.015 0.010 . 1 . . . . 89 THR HG2* . 16040 1 743 . 1 1 89 89 THR HG22 H 1 1.015 0.010 . 1 . . . . 89 THR HG2* . 16040 1 744 . 1 1 89 89 THR HG23 H 1 1.015 0.010 . 1 . . . . 89 THR HG2* . 16040 1 745 . 1 1 89 89 THR N N 15 118.002 0.010 . 1 . . . . 89 THR N . 16040 1 746 . 1 1 90 90 CYS H H 1 9.106 0.010 . 1 . . . . 90 CYS HN . 16040 1 747 . 1 1 90 90 CYS HA H 1 5.049 0.010 . 1 . . . . 90 CYS HA . 16040 1 748 . 1 1 90 90 CYS HB2 H 1 2.475 0.010 . 2 . . . . 90 CYS HB2 . 16040 1 749 . 1 1 90 90 CYS HB3 H 1 2.689 0.010 . 2 . . . . 90 CYS HB3 . 16040 1 750 . 1 1 90 90 CYS N N 15 126.735 0.010 . 1 . . . . 90 CYS N . 16040 1 751 . 1 1 91 91 GLU H H 1 8.687 0.010 . 1 . . . . 91 GLU HN . 16040 1 752 . 1 1 91 91 GLU HA H 1 4.079 0.010 . 1 . . . . 91 GLU HA . 16040 1 753 . 1 1 91 91 GLU HB2 H 1 1.804 0.010 . 2 . . . . 91 GLU HB2 . 16040 1 754 . 1 1 91 91 GLU HB3 H 1 1.805 0.010 . 2 . . . . 91 GLU HB3 . 16040 1 755 . 1 1 91 91 GLU HG2 H 1 2.060 0.010 . 2 . . . . 91 GLU HG2 . 16040 1 756 . 1 1 91 91 GLU HG3 H 1 2.133 0.010 . 2 . . . . 91 GLU HG3 . 16040 1 757 . 1 1 91 91 GLU N N 15 118.639 0.010 . 1 . . . . 91 GLU N . 16040 1 758 . 1 1 92 92 ASN H H 1 10.229 0.010 . 1 . . . . 92 ASN HN . 16040 1 759 . 1 1 92 92 ASN HA H 1 4.237 0.010 . 1 . . . . 92 ASN HA . 16040 1 760 . 1 1 92 92 ASN HB2 H 1 2.656 0.010 . 2 . . . . 92 ASN HB2 . 16040 1 761 . 1 1 92 92 ASN HB3 H 1 2.997 0.010 . 2 . . . . 92 ASN HB3 . 16040 1 762 . 1 1 92 92 ASN HD21 H 1 7.663 0.010 . 2 . . . . 92 ASN HD21 . 16040 1 763 . 1 1 92 92 ASN HD22 H 1 6.855 0.010 . 2 . . . . 92 ASN HD22 . 16040 1 764 . 1 1 92 92 ASN N N 15 126.427 0.010 . 1 . . . . 92 ASN N . 16040 1 765 . 1 1 92 92 ASN ND2 N 15 113.599 0.010 . 1 . . . . 92 ASN ND2 . 16040 1 766 . 1 1 93 93 GLN H H 1 8.746 0.010 . 1 . . . . 93 GLN HN . 16040 1 767 . 1 1 93 93 GLN HA H 1 3.939 0.010 . 1 . . . . 93 GLN HA . 16040 1 768 . 1 1 93 93 GLN HB2 H 1 1.531 0.010 . 2 . . . . 93 GLN HB2 . 16040 1 769 . 1 1 93 93 GLN HB3 H 1 1.532 0.010 . 2 . . . . 93 GLN HB3 . 16040 1 770 . 1 1 93 93 GLN HE21 H 1 7.677 0.010 . 2 . . . . 93 GLN HE21 . 16040 1 771 . 1 1 93 93 GLN HE22 H 1 6.986 0.010 . 2 . . . . 93 GLN HE22 . 16040 1 772 . 1 1 93 93 GLN HG2 H 1 1.952 0.010 . 2 . . . . 93 GLN HG2 . 16040 1 773 . 1 1 93 93 GLN HG3 H 1 2.129 0.010 . 2 . . . . 93 GLN HG3 . 16040 1 774 . 1 1 93 93 GLN N N 15 105.324 0.010 . 1 . . . . 93 GLN N . 16040 1 775 . 1 1 93 93 GLN NE2 N 15 114.227 0.010 . 1 . . . . 93 GLN NE2 . 16040 1 776 . 1 1 94 94 ALA H H 1 7.487 0.010 . 1 . . . . 94 ALA HN . 16040 1 777 . 1 1 94 94 ALA HA H 1 4.313 0.010 . 1 . . . . 94 ALA HA . 16040 1 778 . 1 1 94 94 ALA HB1 H 1 0.819 0.010 . 1 . . . . 94 ALA HB* . 16040 1 779 . 1 1 94 94 ALA HB2 H 1 0.819 0.010 . 1 . . . . 94 ALA HB* . 16040 1 780 . 1 1 94 94 ALA HB3 H 1 0.819 0.010 . 1 . . . . 94 ALA HB* . 16040 1 781 . 1 1 94 94 ALA N N 15 118.760 0.010 . 1 . . . . 94 ALA N . 16040 1 782 . 1 1 95 95 PRO HA H 1 5.061 0.010 . 1 . . . . 95 PRO HA . 16040 1 783 . 1 1 95 95 PRO HB2 H 1 2.069 0.010 . 2 . . . . 95 PRO HB2 . 16040 1 784 . 1 1 95 95 PRO HB3 H 1 2.070 0.010 . 2 . . . . 95 PRO HB3 . 16040 1 785 . 1 1 95 95 PRO HD2 H 1 3.716 0.010 . 2 . . . . 95 PRO HD2 . 16040 1 786 . 1 1 95 95 PRO HD3 H 1 3.717 0.010 . 2 . . . . 95 PRO HD3 . 16040 1 787 . 1 1 95 95 PRO HG2 H 1 1.601 0.010 . 2 . . . . 95 PRO HG2 . 16040 1 788 . 1 1 95 95 PRO HG3 H 1 1.602 0.010 . 2 . . . . 95 PRO HG3 . 16040 1 789 . 1 1 96 96 VAL H H 1 8.499 0.010 . 1 . . . . 96 VAL HN . 16040 1 790 . 1 1 96 96 VAL HA H 1 4.443 0.010 . 1 . . . . 96 VAL HA . 16040 1 791 . 1 1 96 96 VAL HB H 1 1.598 0.010 . 1 . . . . 96 VAL HB . 16040 1 792 . 1 1 96 96 VAL HG11 H 1 0.831 0.010 . 1 . . . . 96 VAL HG1* . 16040 1 793 . 1 1 96 96 VAL HG12 H 1 0.831 0.010 . 1 . . . . 96 VAL HG1* . 16040 1 794 . 1 1 96 96 VAL HG13 H 1 0.831 0.010 . 1 . . . . 96 VAL HG1* . 16040 1 795 . 1 1 96 96 VAL HG21 H 1 0.620 0.010 . 1 . . . . 96 VAL HG2* . 16040 1 796 . 1 1 96 96 VAL HG22 H 1 0.620 0.010 . 1 . . . . 96 VAL HG2* . 16040 1 797 . 1 1 96 96 VAL HG23 H 1 0.620 0.010 . 1 . . . . 96 VAL HG2* . 16040 1 798 . 1 1 96 96 VAL N N 15 108.711 0.010 . 1 . . . . 96 VAL N . 16040 1 799 . 1 1 97 97 HIS H H 1 7.326 0.010 . 1 . . . . 97 HIS HN . 16040 1 800 . 1 1 97 97 HIS HA H 1 5.400 0.010 . 1 . . . . 97 HIS HA . 16040 1 801 . 1 1 97 97 HIS HB2 H 1 2.840 0.010 . 2 . . . . 97 HIS HB2 . 16040 1 802 . 1 1 97 97 HIS HB3 H 1 3.051 0.010 . 2 . . . . 97 HIS HB3 . 16040 1 803 . 1 1 97 97 HIS HD2 H 1 6.791 0.010 . 1 . . . . 97 HIS HD2 . 16040 1 804 . 1 1 97 97 HIS HE1 H 1 6.939 0.010 . 1 . . . . 97 HIS HE1 . 16040 1 805 . 1 1 97 97 HIS N N 15 116.780 0.010 . 1 . . . . 97 HIS N . 16040 1 806 . 1 1 98 98 PHE H H 1 8.120 0.010 . 1 . . . . 98 PHE HN . 16040 1 807 . 1 1 98 98 PHE HA H 1 4.430 0.010 . 1 . . . . 98 PHE HA . 16040 1 808 . 1 1 98 98 PHE HB2 H 1 2.899 0.010 . 2 . . . . 98 PHE HB2 . 16040 1 809 . 1 1 98 98 PHE HB3 H 1 3.021 0.010 . 2 . . . . 98 PHE HB3 . 16040 1 810 . 1 1 98 98 PHE HD1 H 1 6.583 0.010 . 3 . . . . 98 PHE HD* . 16040 1 811 . 1 1 98 98 PHE HD2 H 1 6.583 0.010 . 3 . . . . 98 PHE HD* . 16040 1 812 . 1 1 98 98 PHE HE1 H 1 6.930 0.010 . 3 . . . . 98 PHE HE* . 16040 1 813 . 1 1 98 98 PHE HE2 H 1 6.930 0.010 . 3 . . . . 98 PHE HE* . 16040 1 814 . 1 1 98 98 PHE HZ H 1 6.772 0.010 . 1 . . . . 98 PHE HZ . 16040 1 815 . 1 1 99 99 VAL H H 1 8.208 0.010 . 1 . . . . 99 VAL HN . 16040 1 816 . 1 1 99 99 VAL HA H 1 3.829 0.010 . 1 . . . . 99 VAL HA . 16040 1 817 . 1 1 99 99 VAL HB H 1 1.369 0.010 . 1 . . . . 99 VAL HB . 16040 1 818 . 1 1 99 99 VAL HG11 H 1 0.644 0.010 . 1 . . . . 99 VAL HG1* . 16040 1 819 . 1 1 99 99 VAL HG12 H 1 0.644 0.010 . 1 . . . . 99 VAL HG1* . 16040 1 820 . 1 1 99 99 VAL HG13 H 1 0.644 0.010 . 1 . . . . 99 VAL HG1* . 16040 1 821 . 1 1 99 99 VAL HG21 H 1 0.551 0.010 . 1 . . . . 99 VAL HG2* . 16040 1 822 . 1 1 99 99 VAL HG22 H 1 0.551 0.010 . 1 . . . . 99 VAL HG2* . 16040 1 823 . 1 1 99 99 VAL HG23 H 1 0.551 0.010 . 1 . . . . 99 VAL HG2* . 16040 1 824 . 1 1 99 99 VAL N N 15 129.253 0.010 . 1 . . . . 99 VAL N . 16040 1 825 . 1 1 100 100 GLY H H 1 6.578 0.010 . 1 . . . . 100 GLY HN . 16040 1 826 . 1 1 100 100 GLY HA2 H 1 4.212 0.010 . 2 . . . . 100 GLY HA1 . 16040 1 827 . 1 1 100 100 GLY HA3 H 1 3.921 0.010 . 2 . . . . 100 GLY HA2 . 16040 1 828 . 1 1 100 100 GLY N N 15 104.609 0.010 . 1 . . . . 100 GLY N . 16040 1 829 . 1 1 101 101 VAL H H 1 8.454 0.010 . 1 . . . . 101 VAL HN . 16040 1 830 . 1 1 101 101 VAL HA H 1 4.371 0.010 . 1 . . . . 101 VAL HA . 16040 1 831 . 1 1 101 101 VAL HB H 1 2.097 0.010 . 1 . . . . 101 VAL HB . 16040 1 832 . 1 1 101 101 VAL HG11 H 1 1.033 0.010 . 1 . . . . 101 VAL HG1* . 16040 1 833 . 1 1 101 101 VAL HG12 H 1 1.033 0.010 . 1 . . . . 101 VAL HG1* . 16040 1 834 . 1 1 101 101 VAL HG13 H 1 1.033 0.010 . 1 . . . . 101 VAL HG1* . 16040 1 835 . 1 1 101 101 VAL HG21 H 1 1.032 0.010 . 1 . . . . 101 VAL HG2* . 16040 1 836 . 1 1 101 101 VAL HG22 H 1 1.032 0.010 . 1 . . . . 101 VAL HG2* . 16040 1 837 . 1 1 101 101 VAL HG23 H 1 1.032 0.010 . 1 . . . . 101 VAL HG2* . 16040 1 838 . 1 1 101 101 VAL N N 15 116.884 0.010 . 1 . . . . 101 VAL N . 16040 1 839 . 1 1 102 102 GLY H H 1 8.333 0.010 . 1 . . . . 102 GLY HN . 16040 1 840 . 1 1 102 102 GLY HA2 H 1 3.945 0.010 . 2 . . . . 102 GLY HA1 . 16040 1 841 . 1 1 102 102 GLY HA3 H 1 3.641 0.010 . 2 . . . . 102 GLY HA2 . 16040 1 842 . 1 1 102 102 GLY N N 15 112.591 0.010 . 1 . . . . 102 GLY N . 16040 1 843 . 1 1 103 103 SER H H 1 7.904 0.010 . 1 . . . . 103 SER HN . 16040 1 844 . 1 1 103 103 SER HA H 1 4.322 0.010 . 1 . . . . 103 SER HA . 16040 1 845 . 1 1 103 103 SER HB2 H 1 3.677 0.010 . 2 . . . . 103 SER HB2 . 16040 1 846 . 1 1 103 103 SER HB3 H 1 3.775 0.010 . 2 . . . . 103 SER HB3 . 16040 1 847 . 1 1 103 103 SER N N 15 114.061 0.010 . 1 . . . . 103 SER N . 16040 1 848 . 1 1 104 104 ALA H H 1 7.910 0.010 . 1 . . . . 104 ALA HN . 16040 1 849 . 1 1 104 104 ALA HA H 1 4.006 0.010 . 1 . . . . 104 ALA HA . 16040 1 850 . 1 1 104 104 ALA HB1 H 1 1.173 0.010 . 1 . . . . 104 ALA HB* . 16040 1 851 . 1 1 104 104 ALA HB2 H 1 1.173 0.010 . 1 . . . . 104 ALA HB* . 16040 1 852 . 1 1 104 104 ALA HB3 H 1 1.173 0.010 . 1 . . . . 104 ALA HB* . 16040 1 853 . 1 1 104 104 ALA N N 15 130.752 0.010 . 1 . . . . 104 ALA N . 16040 1 stop_ save_