data_5661 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5661 _Entry.Title ; Rapid backbone 1H, 13C, and 15N assignment of the V1 domain of human PKC iota using the new program IBIS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-01-15 _Entry.Accession_date 2003-01-16 _Entry.Last_release_date 2003-06-12 _Entry.Original_release_date 2003-06-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Michael Roehrl . H.A. . 5661 2 Sven Hyberts . G. . 5661 3 Zhen-Yu Sun . J. . 5661 4 Alan Fields . P. . 5661 5 Gerhard Wagner . . . 5661 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5661 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 320 5661 '15N chemical shifts' 102 5661 '1H chemical shifts' 540 5661 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-06-12 2003-01-15 original author . 5661 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5661 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Rapid backbone 1H, 13C, and 15N assignment of the V1 domain of human PKC iota using the new program IBIS ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 4 _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 373 _Citation.Page_last 374 _Citation.Year 2003 _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 Michael Roehrl . H.A. . 5661 1 2 Sven Hyberts . G. . 5661 1 3 Zhen-Yu Sun . J. . 5661 1 4 Alan Fields . P. . 5661 1 5 Gerhard Wagner . . . 5661 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'automated assignment' 5661 1 IBIS 5661 1 'protein kinase c iota' 5661 1 'V1 domain' 5661 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PKC_iota _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PKC_iota _Assembly.Entry_ID 5661 _Assembly.ID 1 _Assembly.Name 'PKC iota (V1 domain)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5661 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PKC iota V1 monomer' 1 $PKC_iota_V1_monomer . . . native . . . . . 5661 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PKC iota' abbreviation 5661 1 'PKC iota (V1 domain)' system 5661 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PKC_iota_V1_monomer _Entity.Sf_category entity _Entity.Sf_framecode PKC_iota_V1_monomer _Entity.Entry_ID 5661 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Protein Kinase C iota (V1 domain)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSMSHTVAGGGSGDHSH QVRVKAYYRGDIMITHFEPS ISFEGLCNEVRDMCSFDNEQ LFTMKWIDEEGDPCTVSSQL ELEEAFRLYELNKDSELLIH VFPCVPERPGMPCPGEDK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13223.89 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 DBJ BAG37741 . "unnamed protein product [Homo sapiens]" . . . . . 95.76 587 100.00 100.00 2.33e-73 . . . . 5661 1 2 no DBJ BAG70257 . "protein kinase C iota type [Homo sapiens]" . . . . . 95.76 587 100.00 100.00 2.05e-73 . . . . 5661 1 3 no DBJ BAJ20829 . "protein kinase C, iota [synthetic construct]" . . . . . 96.61 596 99.12 100.00 1.35e-73 . . . . 5661 1 4 no EMBL CAH93307 . "hypothetical protein [Pongo abelii]" . . . . . 95.76 587 100.00 100.00 2.43e-73 . . . . 5661 1 5 no GB AAA60171 . "protein kinase C iota [Homo sapiens]" . . . . . 95.76 587 100.00 100.00 2.12e-73 . . . . 5661 1 6 no GB AAB17011 . "protein kinase C iota [Homo sapiens]" . . . . . 95.76 587 100.00 100.00 2.12e-73 . . . . 5661 1 7 no GB AAH22016 . "Protein kinase C, iota [Homo sapiens]" . . . . . 95.76 587 100.00 100.00 1.91e-73 . . . . 5661 1 8 no GB AAQ02606 . "protein kinase C, iota, partial [synthetic construct]" . . . . . 95.76 588 100.00 100.00 2.26e-73 . . . . 5661 1 9 no GB AIC62578 . "PRKCI, partial [synthetic construct]" . . . . . 95.76 587 100.00 100.00 1.91e-73 . . . . 5661 1 10 no REF NP_001126946 . "protein kinase C iota type [Pongo abelii]" . . . . . 95.76 587 100.00 100.00 2.43e-73 . . . . 5661 1 11 no REF NP_002731 . "protein kinase C iota type [Homo sapiens]" . . . . . 96.61 596 99.12 100.00 1.35e-73 . . . . 5661 1 12 no REF XP_001516677 . "PREDICTED: protein kinase C iota type-like, partial [Ornithorhynchus anatinus]" . . . . . 74.58 201 100.00 100.00 2.47e-56 . . . . 5661 1 13 no REF XP_002716448 . "PREDICTED: protein kinase C iota type isoform X2 [Oryctolagus cuniculus]" . . . . . 96.61 596 98.25 100.00 1.19e-72 . . . . 5661 1 14 no REF XP_002759436 . "PREDICTED: protein kinase C iota type [Callithrix jacchus]" . . . . . 96.61 596 99.12 100.00 1.79e-73 . . . . 5661 1 15 no SP P41743 . "RecName: Full=Protein kinase C iota type; AltName: Full=Atypical protein kinase C-lambda/iota; Short=PRKC-lambda/iota; Short=aP" . . . . . 96.61 596 99.12 100.00 1.35e-73 . . . . 5661 1 16 no SP Q5R4K9 . "RecName: Full=Protein kinase C iota type; AltName: Full=nPKC-iota [Pongo abelii]" . . . . . 96.61 596 99.12 100.00 1.59e-73 . . . . 5661 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PKC iota V1' abbreviation 5661 1 'Protein Kinase C iota (V1 domain)' common 5661 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 . GLY . 5661 1 2 . PRO . 5661 1 3 . LEU . 5661 1 4 . GLY . 5661 1 5 . SER . 5661 1 6 . MET . 5661 1 7 . SER . 5661 1 8 . HIS . 5661 1 9 . THR . 5661 1 10 . VAL . 5661 1 11 . ALA . 5661 1 12 . GLY . 5661 1 13 . GLY . 5661 1 14 . GLY . 5661 1 15 . SER . 5661 1 16 . GLY . 5661 1 17 . ASP . 5661 1 18 . HIS . 5661 1 19 . SER . 5661 1 20 . HIS . 5661 1 21 . GLN . 5661 1 22 . VAL . 5661 1 23 . ARG . 5661 1 24 . VAL . 5661 1 25 . LYS . 5661 1 26 . ALA . 5661 1 27 . TYR . 5661 1 28 . TYR . 5661 1 29 . ARG . 5661 1 30 . GLY . 5661 1 31 . ASP . 5661 1 32 . ILE . 5661 1 33 . MET . 5661 1 34 . ILE . 5661 1 35 . THR . 5661 1 36 . HIS . 5661 1 37 . PHE . 5661 1 38 . GLU . 5661 1 39 . PRO . 5661 1 40 . SER . 5661 1 41 . ILE . 5661 1 42 . SER . 5661 1 43 . PHE . 5661 1 44 . GLU . 5661 1 45 . GLY . 5661 1 46 . LEU . 5661 1 47 . CYS . 5661 1 48 . ASN . 5661 1 49 . GLU . 5661 1 50 . VAL . 5661 1 51 . ARG . 5661 1 52 . ASP . 5661 1 53 . MET . 5661 1 54 . CYS . 5661 1 55 . SER . 5661 1 56 . PHE . 5661 1 57 . ASP . 5661 1 58 . ASN . 5661 1 59 . GLU . 5661 1 60 . GLN . 5661 1 61 . LEU . 5661 1 62 . PHE . 5661 1 63 . THR . 5661 1 64 . MET . 5661 1 65 . LYS . 5661 1 66 . TRP . 5661 1 67 . ILE . 5661 1 68 . ASP . 5661 1 69 . GLU . 5661 1 70 . GLU . 5661 1 71 . GLY . 5661 1 72 . ASP . 5661 1 73 . PRO . 5661 1 74 . CYS . 5661 1 75 . THR . 5661 1 76 . VAL . 5661 1 77 . SER . 5661 1 78 . SER . 5661 1 79 . GLN . 5661 1 80 . LEU . 5661 1 81 . GLU . 5661 1 82 . LEU . 5661 1 83 . GLU . 5661 1 84 . GLU . 5661 1 85 . ALA . 5661 1 86 . PHE . 5661 1 87 . ARG . 5661 1 88 . LEU . 5661 1 89 . TYR . 5661 1 90 . GLU . 5661 1 91 . LEU . 5661 1 92 . ASN . 5661 1 93 . LYS . 5661 1 94 . ASP . 5661 1 95 . SER . 5661 1 96 . GLU . 5661 1 97 . LEU . 5661 1 98 . LEU . 5661 1 99 . ILE . 5661 1 100 . HIS . 5661 1 101 . VAL . 5661 1 102 . PHE . 5661 1 103 . PRO . 5661 1 104 . CYS . 5661 1 105 . VAL . 5661 1 106 . PRO . 5661 1 107 . GLU . 5661 1 108 . ARG . 5661 1 109 . PRO . 5661 1 110 . GLY . 5661 1 111 . MET . 5661 1 112 . PRO . 5661 1 113 . CYS . 5661 1 114 . PRO . 5661 1 115 . GLY . 5661 1 116 . GLU . 5661 1 117 . ASP . 5661 1 118 . LYS . 5661 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 . GLY 1 1 5661 1 . PRO 2 2 5661 1 . LEU 3 3 5661 1 . GLY 4 4 5661 1 . SER 5 5 5661 1 . MET 6 6 5661 1 . SER 7 7 5661 1 . HIS 8 8 5661 1 . THR 9 9 5661 1 . VAL 10 10 5661 1 . ALA 11 11 5661 1 . GLY 12 12 5661 1 . GLY 13 13 5661 1 . GLY 14 14 5661 1 . SER 15 15 5661 1 . GLY 16 16 5661 1 . ASP 17 17 5661 1 . HIS 18 18 5661 1 . SER 19 19 5661 1 . HIS 20 20 5661 1 . GLN 21 21 5661 1 . VAL 22 22 5661 1 . ARG 23 23 5661 1 . VAL 24 24 5661 1 . LYS 25 25 5661 1 . ALA 26 26 5661 1 . TYR 27 27 5661 1 . TYR 28 28 5661 1 . ARG 29 29 5661 1 . GLY 30 30 5661 1 . ASP 31 31 5661 1 . ILE 32 32 5661 1 . MET 33 33 5661 1 . ILE 34 34 5661 1 . THR 35 35 5661 1 . HIS 36 36 5661 1 . PHE 37 37 5661 1 . GLU 38 38 5661 1 . PRO 39 39 5661 1 . SER 40 40 5661 1 . ILE 41 41 5661 1 . SER 42 42 5661 1 . PHE 43 43 5661 1 . GLU 44 44 5661 1 . GLY 45 45 5661 1 . LEU 46 46 5661 1 . CYS 47 47 5661 1 . ASN 48 48 5661 1 . GLU 49 49 5661 1 . VAL 50 50 5661 1 . ARG 51 51 5661 1 . ASP 52 52 5661 1 . MET 53 53 5661 1 . CYS 54 54 5661 1 . SER 55 55 5661 1 . PHE 56 56 5661 1 . ASP 57 57 5661 1 . ASN 58 58 5661 1 . GLU 59 59 5661 1 . GLN 60 60 5661 1 . LEU 61 61 5661 1 . PHE 62 62 5661 1 . THR 63 63 5661 1 . MET 64 64 5661 1 . LYS 65 65 5661 1 . TRP 66 66 5661 1 . ILE 67 67 5661 1 . ASP 68 68 5661 1 . GLU 69 69 5661 1 . GLU 70 70 5661 1 . GLY 71 71 5661 1 . ASP 72 72 5661 1 . PRO 73 73 5661 1 . CYS 74 74 5661 1 . THR 75 75 5661 1 . VAL 76 76 5661 1 . SER 77 77 5661 1 . SER 78 78 5661 1 . GLN 79 79 5661 1 . LEU 80 80 5661 1 . GLU 81 81 5661 1 . LEU 82 82 5661 1 . GLU 83 83 5661 1 . GLU 84 84 5661 1 . ALA 85 85 5661 1 . PHE 86 86 5661 1 . ARG 87 87 5661 1 . LEU 88 88 5661 1 . TYR 89 89 5661 1 . GLU 90 90 5661 1 . LEU 91 91 5661 1 . ASN 92 92 5661 1 . LYS 93 93 5661 1 . ASP 94 94 5661 1 . SER 95 95 5661 1 . GLU 96 96 5661 1 . LEU 97 97 5661 1 . LEU 98 98 5661 1 . ILE 99 99 5661 1 . HIS 100 100 5661 1 . VAL 101 101 5661 1 . PHE 102 102 5661 1 . PRO 103 103 5661 1 . CYS 104 104 5661 1 . VAL 105 105 5661 1 . PRO 106 106 5661 1 . GLU 107 107 5661 1 . ARG 108 108 5661 1 . PRO 109 109 5661 1 . GLY 110 110 5661 1 . MET 111 111 5661 1 . PRO 112 112 5661 1 . CYS 113 113 5661 1 . PRO 114 114 5661 1 . GLY 115 115 5661 1 . GLU 116 116 5661 1 . ASP 117 117 5661 1 . LYS 118 118 5661 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 5661 _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 $PKC_iota_V1_monomer . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5661 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 5661 _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 $PKC_iota_V1_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Produced as a GST fusion protein.' . . 5661 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PKC_iota_V1_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode PKC_iota_V1_sample_1 _Sample.Entry_ID 5661 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Protein Kinase C iota (V1 domain)' '[U-13C; U-15N]' . . 1 $PKC_iota_V1_monomer . . 1.0 . . mM . . . . 5661 1 2 Tris-HCl . . . . . . . 20 . . mM . . . . 5661 1 3 NaCl . . . . . . . 150 . . mM . . . . 5661 1 4 CaCl2 . . . . . . . 1 . . mM . . . . 5661 1 5 DTT . . . . . . . 1 . . mM . . . . 5661 1 stop_ save_ save_PKC_iota_V1_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode PKC_iota_V1_sample_2 _Sample.Entry_ID 5661 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Protein Kinase C iota (V1 domain)' [U-15N] . . 1 $PKC_iota_V1_monomer . . 1.0 . . mM . . . . 5661 2 2 Tris-HCl . . . . . . . 20 . . mM . . . . 5661 2 3 NaCl . . . . . . . 150 . . mM . . . . 5661 2 4 CaCl2 . . . . . . . 1 . . mM . . . . 5661 2 5 DTT . . . . . . . 1 . . mM . . . . 5661 2 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 5661 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 5661 1 pH 7.4 0.1 n/a 5661 1 temperature 298 0.5 K 5661 1 stop_ save_ ############################ # Computer software used # ############################ save_Prosa _Software.Sf_category software _Software.Sf_framecode Prosa _Software.Entry_ID 5661 _Software.ID 1 _Software.Name PROSA _Software.Version 3.7 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5661 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5661 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data visualization' 5661 2 stop_ save_ save_IBIS _Software.Sf_category software _Software.Sf_framecode IBIS _Software.Entry_ID 5661 _Software.ID 3 _Software.Name IBIS _Software.Version . _Software.Details ; New in-house developed software for semi-automated iterative resonance assignment. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'semi-automated iterative assignment' 5661 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5661 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5661 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5661 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 500 . . . 5661 1 2 NMR_spectrometer_2 Bruker Avance . 600 . . . 5661 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 5661 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5661 1 2 HNCA . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5661 1 3 HN(CO)CA . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5661 1 4 HN(CA)CB . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5661 1 5 HN(COCA)CB . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5661 1 6 HNCO . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5661 1 7 HN(CA)CO . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5661 1 8 (H)CC(CO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5661 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5661 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Both spectrometers are equipped with triple resonance CryoProbes.' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5661 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Both spectrometers are equipped with triple resonance CryoProbes.' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5661 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Both spectrometers are equipped with triple resonance CryoProbes.' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5661 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Both spectrometers are equipped with triple resonance CryoProbes.' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5661 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(COCA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Both spectrometers are equipped with triple resonance CryoProbes.' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5661 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Both spectrometers are equipped with triple resonance CryoProbes.' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5661 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Both spectrometers are equipped with triple resonance CryoProbes.' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5661 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name (H)CC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Both spectrometers are equipped with triple resonance CryoProbes.' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5661 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5661 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5661 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5661 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shift_set_1 _Assigned_chem_shift_list.Entry_ID 5661 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $PKC_iota_V1_sample_1 . 5661 1 . . 2 $PKC_iota_V1_sample_2 . 5661 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO CA C 13 63.08 0.02 . 1 . . . . . . . . 5661 1 2 . 1 1 2 2 PRO CB C 13 32.51 0.02 . 1 . . . . . . . . 5661 1 3 . 1 1 2 2 PRO CG C 13 27.37 0.02 . 1 . . . . . . . . 5661 1 4 . 1 1 2 2 PRO CD C 13 49.82 0.02 . 1 . . . . . . . . 5661 1 5 . 1 1 2 2 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 5661 1 6 . 1 1 2 2 PRO HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5661 1 7 . 1 1 2 2 PRO HG2 H 1 1.97 0.02 . 2 . . . . . . . . 5661 1 8 . 1 1 2 2 PRO HD2 H 1 3.54 0.02 . 2 . . . . . . . . 5661 1 9 . 1 1 3 3 LEU CA C 13 55.36 0.02 . 1 . . . . . . . . 5661 1 10 . 1 1 3 3 LEU CB C 13 42.17 0.02 . 1 . . . . . . . . 5661 1 11 . 1 1 3 3 LEU CG C 13 27.45 0.02 . 1 . . . . . . . . 5661 1 12 . 1 1 3 3 LEU CD1 C 13 24.98 0.02 . 1 . . . . . . . . 5661 1 13 . 1 1 3 3 LEU CD2 C 13 23.80 0.02 . 1 . . . . . . . . 5661 1 14 . 1 1 3 3 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 5661 1 15 . 1 1 3 3 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 5661 1 16 . 1 1 3 3 LEU HB2 H 1 1.61 0.02 . 2 . . . . . . . . 5661 1 17 . 1 1 3 3 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 5661 1 18 . 1 1 3 3 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 5661 1 19 . 1 1 3 3 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 5661 1 20 . 1 1 3 3 LEU N N 15 122.27 0.02 . 1 . . . . . . . . 5661 1 21 . 1 1 4 4 GLY CA C 13 45.15 0.02 . 1 . . . . . . . . 5661 1 22 . 1 1 4 4 GLY H H 1 8.41 0.02 . 1 . . . . . . . . 5661 1 23 . 1 1 4 4 GLY N N 15 109.73 0.02 . 1 . . . . . . . . 5661 1 24 . 1 1 7 7 SER CA C 13 63.15 0.02 . 1 . . . . . . . . 5661 1 25 . 1 1 7 7 SER HA H 1 4.71 0.02 . 1 . . . . . . . . 5661 1 26 . 1 1 7 7 SER HB2 H 1 3.75 0.02 . 2 . . . . . . . . 5661 1 27 . 1 1 8 8 HIS CA C 13 56.40 0.02 . 1 . . . . . . . . 5661 1 28 . 1 1 8 8 HIS CB C 13 31.19 0.02 . 1 . . . . . . . . 5661 1 29 . 1 1 8 8 HIS H H 1 8.67 0.02 . 1 . . . . . . . . 5661 1 30 . 1 1 8 8 HIS HA H 1 4.66 0.02 . 1 . . . . . . . . 5661 1 31 . 1 1 8 8 HIS HB2 H 1 3.06 0.02 . 2 . . . . . . . . 5661 1 32 . 1 1 8 8 HIS N N 15 121.77 0.02 . 1 . . . . . . . . 5661 1 33 . 1 1 9 9 THR CA C 13 61.84 0.02 . 1 . . . . . . . . 5661 1 34 . 1 1 9 9 THR CB C 13 70.24 0.02 . 1 . . . . . . . . 5661 1 35 . 1 1 9 9 THR CG2 C 13 21.72 0.02 . 1 . . . . . . . . 5661 1 36 . 1 1 9 9 THR H H 1 8.03 0.02 . 1 . . . . . . . . 5661 1 37 . 1 1 9 9 THR HA H 1 4.30 0.02 . 1 . . . . . . . . 5661 1 38 . 1 1 9 9 THR HB H 1 4.11 0.02 . 1 . . . . . . . . 5661 1 39 . 1 1 9 9 THR HG21 H 1 1.08 0.02 . 1 . . . . . . . . 5661 1 40 . 1 1 9 9 THR HG22 H 1 1.08 0.02 . 1 . . . . . . . . 5661 1 41 . 1 1 9 9 THR HG23 H 1 1.08 0.02 . 1 . . . . . . . . 5661 1 42 . 1 1 9 9 THR N N 15 115.56 0.02 . 1 . . . . . . . . 5661 1 43 . 1 1 10 10 VAL CA C 13 62.10 0.02 . 1 . . . . . . . . 5661 1 44 . 1 1 10 10 VAL CB C 13 32.88 0.02 . 1 . . . . . . . . 5661 1 45 . 1 1 10 10 VAL CG1 C 13 21.42 0.02 . 1 . . . . . . . . 5661 1 46 . 1 1 10 10 VAL CG2 C 13 20.80 0.02 . 1 . . . . . . . . 5661 1 47 . 1 1 10 10 VAL H H 1 8.12 0.02 . 1 . . . . . . . . 5661 1 48 . 1 1 10 10 VAL HA H 1 4.08 0.02 . 1 . . . . . . . . 5661 1 49 . 1 1 10 10 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 5661 1 50 . 1 1 10 10 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 5661 1 51 . 1 1 10 10 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 5661 1 52 . 1 1 10 10 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 5661 1 53 . 1 1 10 10 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5661 1 54 . 1 1 10 10 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5661 1 55 . 1 1 10 10 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5661 1 56 . 1 1 10 10 VAL N N 15 122.42 0.02 . 1 . . . . . . . . 5661 1 57 . 1 1 11 11 ALA CA C 13 52.54 0.02 . 1 . . . . . . . . 5661 1 58 . 1 1 11 11 ALA CB C 13 19.10 0.02 . 1 . . . . . . . . 5661 1 59 . 1 1 11 11 ALA H H 1 8.42 0.02 . 1 . . . . . . . . 5661 1 60 . 1 1 11 11 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 5661 1 61 . 1 1 11 11 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 5661 1 62 . 1 1 11 11 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 5661 1 63 . 1 1 11 11 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 5661 1 64 . 1 1 11 11 ALA N N 15 127.88 0.02 . 1 . . . . . . . . 5661 1 65 . 1 1 12 12 GLY CA C 13 45.16 0.02 . 1 . . . . . . . . 5661 1 66 . 1 1 12 12 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 5661 1 67 . 1 1 12 12 GLY HA2 H 1 3.97 0.02 . 1 . . . . . . . . 5661 1 68 . 1 1 12 12 GLY N N 15 108.74 0.02 . 1 . . . . . . . . 5661 1 69 . 1 1 13 13 GLY CA C 13 45.31 0.02 . 1 . . . . . . . . 5661 1 70 . 1 1 13 13 GLY H H 1 8.36 0.02 . 1 . . . . . . . . 5661 1 71 . 1 1 13 13 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 5661 1 72 . 1 1 13 13 GLY N N 15 108.82 0.02 . 1 . . . . . . . . 5661 1 73 . 1 1 14 14 GLY CA C 13 44.99 0.02 . 1 . . . . . . . . 5661 1 74 . 1 1 14 14 GLY H H 1 8.31 0.02 . 1 . . . . . . . . 5661 1 75 . 1 1 14 14 GLY N N 15 108.62 0.02 . 1 . . . . . . . . 5661 1 76 . 1 1 15 15 SER CA C 13 58.86 0.02 . 1 . . . . . . . . 5661 1 77 . 1 1 15 15 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 5661 1 78 . 1 1 16 16 GLY CA C 13 45.21 0.02 . 1 . . . . . . . . 5661 1 79 . 1 1 16 16 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 5661 1 80 . 1 1 16 16 GLY N N 15 110.70 0.02 . 1 . . . . . . . . 5661 1 81 . 1 1 20 20 HIS CA C 13 55.95 0.02 . 1 . . . . . . . . 5661 1 82 . 1 1 20 20 HIS CB C 13 30.67 0.02 . 1 . . . . . . . . 5661 1 83 . 1 1 20 20 HIS HA H 1 4.66 0.02 . 1 . . . . . . . . 5661 1 84 . 1 1 20 20 HIS HB2 H 1 3.07 0.02 . 2 . . . . . . . . 5661 1 85 . 1 1 20 20 HIS HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5661 1 86 . 1 1 21 21 GLN CA C 13 55.33 0.02 . 1 . . . . . . . . 5661 1 87 . 1 1 21 21 GLN CB C 13 31.48 0.02 . 1 . . . . . . . . 5661 1 88 . 1 1 21 21 GLN CG C 13 34.52 0.02 . 1 . . . . . . . . 5661 1 89 . 1 1 21 21 GLN H H 1 7.84 0.02 . 1 . . . . . . . . 5661 1 90 . 1 1 21 21 GLN HA H 1 4.37 0.02 . 1 . . . . . . . . 5661 1 91 . 1 1 21 21 GLN HG2 H 1 1.99 0.02 . 2 . . . . . . . . 5661 1 92 . 1 1 21 21 GLN N N 15 118.52 0.02 . 1 . . . . . . . . 5661 1 93 . 1 1 22 22 VAL CA C 13 61.68 0.02 . 1 . . . . . . . . 5661 1 94 . 1 1 22 22 VAL CB C 13 32.96 0.02 . 1 . . . . . . . . 5661 1 95 . 1 1 22 22 VAL CG1 C 13 20.38 0.02 . 1 . . . . . . . . 5661 1 96 . 1 1 22 22 VAL CG2 C 13 19.93 0.02 . 1 . . . . . . . . 5661 1 97 . 1 1 22 22 VAL H H 1 8.94 0.02 . 1 . . . . . . . . 5661 1 98 . 1 1 22 22 VAL HA H 1 3.72 0.02 . 1 . . . . . . . . 5661 1 99 . 1 1 22 22 VAL HB H 1 1.48 0.02 . 1 . . . . . . . . 5661 1 100 . 1 1 22 22 VAL HG11 H 1 0.23 0.02 . 2 . . . . . . . . 5661 1 101 . 1 1 22 22 VAL HG12 H 1 0.23 0.02 . 2 . . . . . . . . 5661 1 102 . 1 1 22 22 VAL HG13 H 1 0.23 0.02 . 2 . . . . . . . . 5661 1 103 . 1 1 22 22 VAL HG21 H 1 -0.10 0.02 . 2 . . . . . . . . 5661 1 104 . 1 1 22 22 VAL HG22 H 1 -0.10 0.02 . 2 . . . . . . . . 5661 1 105 . 1 1 22 22 VAL HG23 H 1 -0.10 0.02 . 2 . . . . . . . . 5661 1 106 . 1 1 22 22 VAL N N 15 122.61 0.02 . 1 . . . . . . . . 5661 1 107 . 1 1 23 23 ARG CA C 13 55.84 0.02 . 1 . . . . . . . . 5661 1 108 . 1 1 23 23 ARG CB C 13 30.89 0.02 . 1 . . . . . . . . 5661 1 109 . 1 1 23 23 ARG CG C 13 28.26 0.02 . 1 . . . . . . . . 5661 1 110 . 1 1 23 23 ARG CD C 13 44.02 0.02 . 1 . . . . . . . . 5661 1 111 . 1 1 23 23 ARG H H 1 7.86 0.02 . 1 . . . . . . . . 5661 1 112 . 1 1 23 23 ARG HA H 1 4.17 0.02 . 1 . . . . . . . . 5661 1 113 . 1 1 23 23 ARG HB2 H 1 2.11 0.02 . 2 . . . . . . . . 5661 1 114 . 1 1 23 23 ARG HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5661 1 115 . 1 1 23 23 ARG HG2 H 1 1.15 0.02 . 2 . . . . . . . . 5661 1 116 . 1 1 23 23 ARG HD2 H 1 3.27 0.02 . 2 . . . . . . . . 5661 1 117 . 1 1 23 23 ARG N N 15 128.37 0.02 . 1 . . . . . . . . 5661 1 118 . 1 1 24 24 VAL CA C 13 60.36 0.02 . 1 . . . . . . . . 5661 1 119 . 1 1 24 24 VAL CB C 13 34.50 0.02 . 1 . . . . . . . . 5661 1 120 . 1 1 24 24 VAL CG1 C 13 22.63 0.02 . 1 . . . . . . . . 5661 1 121 . 1 1 24 24 VAL CG2 C 13 20.90 0.02 . 1 . . . . . . . . 5661 1 122 . 1 1 24 24 VAL H H 1 8.51 0.02 . 1 . . . . . . . . 5661 1 123 . 1 1 24 24 VAL HA H 1 4.75 0.02 . 1 . . . . . . . . 5661 1 124 . 1 1 24 24 VAL HB H 1 1.48 0.02 . 1 . . . . . . . . 5661 1 125 . 1 1 24 24 VAL HG11 H 1 0.73 0.02 . 2 . . . . . . . . 5661 1 126 . 1 1 24 24 VAL HG12 H 1 0.73 0.02 . 2 . . . . . . . . 5661 1 127 . 1 1 24 24 VAL HG13 H 1 0.73 0.02 . 2 . . . . . . . . 5661 1 128 . 1 1 24 24 VAL HG21 H 1 0.68 0.02 . 2 . . . . . . . . 5661 1 129 . 1 1 24 24 VAL HG22 H 1 0.68 0.02 . 2 . . . . . . . . 5661 1 130 . 1 1 24 24 VAL HG23 H 1 0.68 0.02 . 2 . . . . . . . . 5661 1 131 . 1 1 24 24 VAL N N 15 127.56 0.02 . 1 . . . . . . . . 5661 1 132 . 1 1 25 25 LYS CA C 13 54.38 0.02 . 1 . . . . . . . . 5661 1 133 . 1 1 25 25 LYS CB C 13 34.92 0.02 . 1 . . . . . . . . 5661 1 134 . 1 1 25 25 LYS CG C 13 25.60 0.02 . 1 . . . . . . . . 5661 1 135 . 1 1 25 25 LYS CD C 13 29.72 0.02 . 1 . . . . . . . . 5661 1 136 . 1 1 25 25 LYS CE C 13 42.06 0.02 . 1 . . . . . . . . 5661 1 137 . 1 1 25 25 LYS H H 1 8.68 0.02 . 1 . . . . . . . . 5661 1 138 . 1 1 25 25 LYS HA H 1 4.72 0.02 . 1 . . . . . . . . 5661 1 139 . 1 1 25 25 LYS HB2 H 1 1.49 0.02 . 2 . . . . . . . . 5661 1 140 . 1 1 25 25 LYS HG2 H 1 0.70 0.02 . 2 . . . . . . . . 5661 1 141 . 1 1 25 25 LYS HD2 H 1 1.56 0.02 . 2 . . . . . . . . 5661 1 142 . 1 1 25 25 LYS HD3 H 1 1.46 0.02 . 2 . . . . . . . . 5661 1 143 . 1 1 25 25 LYS HE2 H 1 2.96 0.02 . 2 . . . . . . . . 5661 1 144 . 1 1 25 25 LYS N N 15 127.69 0.02 . 1 . . . . . . . . 5661 1 145 . 1 1 26 26 ALA CA C 13 48.93 0.02 . 1 . . . . . . . . 5661 1 146 . 1 1 26 26 ALA CB C 13 20.06 0.02 . 1 . . . . . . . . 5661 1 147 . 1 1 26 26 ALA H H 1 9.19 0.02 . 1 . . . . . . . . 5661 1 148 . 1 1 26 26 ALA N N 15 127.29 0.02 . 1 . . . . . . . . 5661 1 149 . 1 1 27 27 TYR CA C 13 56.18 0.02 . 1 . . . . . . . . 5661 1 150 . 1 1 27 27 TYR CB C 13 40.32 0.02 . 1 . . . . . . . . 5661 1 151 . 1 1 27 27 TYR H H 1 9.02 0.02 . 1 . . . . . . . . 5661 1 152 . 1 1 27 27 TYR HA H 1 5.04 0.02 . 1 . . . . . . . . 5661 1 153 . 1 1 27 27 TYR HB2 H 1 2.61 0.02 . 2 . . . . . . . . 5661 1 154 . 1 1 27 27 TYR HB3 H 1 2.38 0.02 . 2 . . . . . . . . 5661 1 155 . 1 1 27 27 TYR N N 15 122.06 0.02 . 1 . . . . . . . . 5661 1 156 . 1 1 28 28 TYR CA C 13 56.30 0.02 . 1 . . . . . . . . 5661 1 157 . 1 1 28 28 TYR CB C 13 41.09 0.02 . 1 . . . . . . . . 5661 1 158 . 1 1 28 28 TYR H H 1 8.37 0.02 . 1 . . . . . . . . 5661 1 159 . 1 1 28 28 TYR HA H 1 4.93 0.02 . 1 . . . . . . . . 5661 1 160 . 1 1 28 28 TYR HB2 H 1 2.81 0.02 . 2 . . . . . . . . 5661 1 161 . 1 1 28 28 TYR HB3 H 1 2.46 0.02 . 2 . . . . . . . . 5661 1 162 . 1 1 28 28 TYR N N 15 122.86 0.02 . 1 . . . . . . . . 5661 1 163 . 1 1 29 29 ARG CA C 13 56.93 0.02 . 1 . . . . . . . . 5661 1 164 . 1 1 29 29 ARG CB C 13 28.54 0.02 . 1 . . . . . . . . 5661 1 165 . 1 1 29 29 ARG CG C 13 27.41 0.02 . 1 . . . . . . . . 5661 1 166 . 1 1 29 29 ARG CD C 13 44.18 0.02 . 1 . . . . . . . . 5661 1 167 . 1 1 29 29 ARG H H 1 9.25 0.02 . 1 . . . . . . . . 5661 1 168 . 1 1 29 29 ARG HA H 1 3.60 0.02 . 1 . . . . . . . . 5661 1 169 . 1 1 29 29 ARG HB2 H 1 1.66 0.02 . 2 . . . . . . . . 5661 1 170 . 1 1 29 29 ARG HB3 H 1 1.59 0.02 . 2 . . . . . . . . 5661 1 171 . 1 1 29 29 ARG HG2 H 1 1.13 0.02 . 2 . . . . . . . . 5661 1 172 . 1 1 29 29 ARG HG3 H 1 0.72 0.02 . 2 . . . . . . . . 5661 1 173 . 1 1 29 29 ARG HD2 H 1 2.95 0.02 . 2 . . . . . . . . 5661 1 174 . 1 1 29 29 ARG HD3 H 1 2.87 0.02 . 2 . . . . . . . . 5661 1 175 . 1 1 29 29 ARG N N 15 127.46 0.02 . 1 . . . . . . . . 5661 1 176 . 1 1 30 30 GLY CA C 13 45.23 0.02 . 1 . . . . . . . . 5661 1 177 . 1 1 30 30 GLY H H 1 7.93 0.02 . 1 . . . . . . . . 5661 1 178 . 1 1 30 30 GLY HA2 H 1 4.09 0.02 . 1 . . . . . . . . 5661 1 179 . 1 1 30 30 GLY HA3 H 1 3.59 0.02 . 1 . . . . . . . . 5661 1 180 . 1 1 30 30 GLY N N 15 105.72 0.02 . 1 . . . . . . . . 5661 1 181 . 1 1 31 31 ASP CA C 13 53.38 0.02 . 1 . . . . . . . . 5661 1 182 . 1 1 31 31 ASP CB C 13 42.83 0.02 . 1 . . . . . . . . 5661 1 183 . 1 1 31 31 ASP H H 1 7.97 0.02 . 1 . . . . . . . . 5661 1 184 . 1 1 31 31 ASP HA H 1 4.83 0.02 . 1 . . . . . . . . 5661 1 185 . 1 1 31 31 ASP HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5661 1 186 . 1 1 31 31 ASP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5661 1 187 . 1 1 31 31 ASP N N 15 121.74 0.02 . 1 . . . . . . . . 5661 1 188 . 1 1 32 32 ILE CA C 13 60.20 0.02 . 1 . . . . . . . . 5661 1 189 . 1 1 32 32 ILE CB C 13 40.18 0.02 . 1 . . . . . . . . 5661 1 190 . 1 1 32 32 ILE CG1 C 13 27.59 0.02 . 1 . . . . . . . . 5661 1 191 . 1 1 32 32 ILE CG2 C 13 17.95 0.02 . 1 . . . . . . . . 5661 1 192 . 1 1 32 32 ILE CD1 C 13 14.09 0.02 . 1 . . . . . . . . 5661 1 193 . 1 1 32 32 ILE H H 1 8.12 0.02 . 1 . . . . . . . . 5661 1 194 . 1 1 32 32 ILE HA H 1 4.58 0.02 . 1 . . . . . . . . 5661 1 195 . 1 1 32 32 ILE HB H 1 1.41 0.02 . 1 . . . . . . . . 5661 1 196 . 1 1 32 32 ILE HG12 H 1 1.25 0.02 . 2 . . . . . . . . 5661 1 197 . 1 1 32 32 ILE HG13 H 1 0.38 0.02 . 2 . . . . . . . . 5661 1 198 . 1 1 32 32 ILE HG21 H 1 0.41 0.02 . 1 . . . . . . . . 5661 1 199 . 1 1 32 32 ILE HG22 H 1 0.41 0.02 . 1 . . . . . . . . 5661 1 200 . 1 1 32 32 ILE HG23 H 1 0.41 0.02 . 1 . . . . . . . . 5661 1 201 . 1 1 32 32 ILE HD11 H 1 0.69 0.02 . 1 . . . . . . . . 5661 1 202 . 1 1 32 32 ILE HD12 H 1 0.69 0.02 . 1 . . . . . . . . 5661 1 203 . 1 1 32 32 ILE HD13 H 1 0.69 0.02 . 1 . . . . . . . . 5661 1 204 . 1 1 32 32 ILE N N 15 120.40 0.02 . 1 . . . . . . . . 5661 1 205 . 1 1 33 33 MET CA C 13 54.43 0.02 . 1 . . . . . . . . 5661 1 206 . 1 1 33 33 MET CB C 13 35.53 0.02 . 1 . . . . . . . . 5661 1 207 . 1 1 33 33 MET CG C 13 32.37 0.02 . 1 . . . . . . . . 5661 1 208 . 1 1 33 33 MET CE C 13 16.52 0.02 . 1 . . . . . . . . 5661 1 209 . 1 1 33 33 MET H H 1 9.21 0.02 . 1 . . . . . . . . 5661 1 210 . 1 1 33 33 MET HA H 1 4.57 0.02 . 1 . . . . . . . . 5661 1 211 . 1 1 33 33 MET HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5661 1 212 . 1 1 33 33 MET HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5661 1 213 . 1 1 33 33 MET HG2 H 1 2.53 0.02 . 2 . . . . . . . . 5661 1 214 . 1 1 33 33 MET HG3 H 1 2.21 0.02 . 2 . . . . . . . . 5661 1 215 . 1 1 33 33 MET N N 15 128.44 0.02 . 1 . . . . . . . . 5661 1 216 . 1 1 34 34 ILE CA C 13 59.24 0.02 . 1 . . . . . . . . 5661 1 217 . 1 1 34 34 ILE CB C 13 39.29 0.02 . 1 . . . . . . . . 5661 1 218 . 1 1 34 34 ILE CG1 C 13 27.89 0.02 . 1 . . . . . . . . 5661 1 219 . 1 1 34 34 ILE CG2 C 13 17.58 0.02 . 1 . . . . . . . . 5661 1 220 . 1 1 34 34 ILE CD1 C 13 13.13 0.02 . 1 . . . . . . . . 5661 1 221 . 1 1 34 34 ILE H H 1 8.35 0.02 . 1 . . . . . . . . 5661 1 222 . 1 1 34 34 ILE HA H 1 5.00 0.02 . 1 . . . . . . . . 5661 1 223 . 1 1 34 34 ILE HB H 1 1.61 0.02 . 1 . . . . . . . . 5661 1 224 . 1 1 34 34 ILE HG12 H 1 1.38 0.02 . 2 . . . . . . . . 5661 1 225 . 1 1 34 34 ILE HG13 H 1 0.96 0.02 . 2 . . . . . . . . 5661 1 226 . 1 1 34 34 ILE HG21 H 1 0.63 0.02 . 1 . . . . . . . . 5661 1 227 . 1 1 34 34 ILE HG22 H 1 0.63 0.02 . 1 . . . . . . . . 5661 1 228 . 1 1 34 34 ILE HG23 H 1 0.63 0.02 . 1 . . . . . . . . 5661 1 229 . 1 1 34 34 ILE HD11 H 1 0.71 0.02 . 1 . . . . . . . . 5661 1 230 . 1 1 34 34 ILE HD12 H 1 0.71 0.02 . 1 . . . . . . . . 5661 1 231 . 1 1 34 34 ILE HD13 H 1 0.71 0.02 . 1 . . . . . . . . 5661 1 232 . 1 1 34 34 ILE N N 15 122.00 0.02 . 1 . . . . . . . . 5661 1 233 . 1 1 35 35 THR CA C 13 59.35 0.02 . 1 . . . . . . . . 5661 1 234 . 1 1 35 35 THR CB C 13 69.72 0.02 . 1 . . . . . . . . 5661 1 235 . 1 1 35 35 THR CG2 C 13 19.78 0.02 . 1 . . . . . . . . 5661 1 236 . 1 1 35 35 THR H H 1 8.74 0.02 . 1 . . . . . . . . 5661 1 237 . 1 1 35 35 THR HA H 1 4.43 0.02 . 1 . . . . . . . . 5661 1 238 . 1 1 35 35 THR HB H 1 3.81 0.02 . 1 . . . . . . . . 5661 1 239 . 1 1 35 35 THR HG21 H 1 0.50 0.02 . 1 . . . . . . . . 5661 1 240 . 1 1 35 35 THR HG22 H 1 0.50 0.02 . 1 . . . . . . . . 5661 1 241 . 1 1 35 35 THR HG23 H 1 0.50 0.02 . 1 . . . . . . . . 5661 1 242 . 1 1 35 35 THR N N 15 122.21 0.02 . 1 . . . . . . . . 5661 1 243 . 1 1 36 36 HIS CA C 13 54.90 0.02 . 1 . . . . . . . . 5661 1 244 . 1 1 36 36 HIS CB C 13 32.96 0.02 . 1 . . . . . . . . 5661 1 245 . 1 1 36 36 HIS H H 1 7.77 0.02 . 1 . . . . . . . . 5661 1 246 . 1 1 36 36 HIS HA H 1 5.35 0.02 . 1 . . . . . . . . 5661 1 247 . 1 1 36 36 HIS HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5661 1 248 . 1 1 36 36 HIS HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5661 1 249 . 1 1 36 36 HIS N N 15 118.43 0.02 . 1 . . . . . . . . 5661 1 250 . 1 1 37 37 PHE CA C 13 54.94 0.02 . 1 . . . . . . . . 5661 1 251 . 1 1 37 37 PHE CB C 13 43.12 0.02 . 1 . . . . . . . . 5661 1 252 . 1 1 37 37 PHE H H 1 8.72 0.02 . 1 . . . . . . . . 5661 1 253 . 1 1 37 37 PHE HA H 1 5.14 0.02 . 1 . . . . . . . . 5661 1 254 . 1 1 37 37 PHE HB2 H 1 3.37 0.02 . 2 . . . . . . . . 5661 1 255 . 1 1 37 37 PHE HB3 H 1 2.45 0.02 . 2 . . . . . . . . 5661 1 256 . 1 1 37 37 PHE N N 15 117.89 0.02 . 1 . . . . . . . . 5661 1 257 . 1 1 38 38 GLU CA C 13 54.55 0.02 . 1 . . . . . . . . 5661 1 258 . 1 1 38 38 GLU CB C 13 29.74 0.02 . 1 . . . . . . . . 5661 1 259 . 1 1 38 38 GLU H H 1 9.03 0.02 . 1 . . . . . . . . 5661 1 260 . 1 1 38 38 GLU N N 15 122.10 0.02 . 1 . . . . . . . . 5661 1 261 . 1 1 39 39 PRO CA C 13 63.98 0.02 . 1 . . . . . . . . 5661 1 262 . 1 1 39 39 PRO CB C 13 31.34 0.02 . 1 . . . . . . . . 5661 1 263 . 1 1 39 39 PRO CG C 13 27.85 0.02 . 1 . . . . . . . . 5661 1 264 . 1 1 39 39 PRO CD C 13 50.88 0.02 . 1 . . . . . . . . 5661 1 265 . 1 1 39 39 PRO HA H 1 3.98 0.02 . 1 . . . . . . . . 5661 1 266 . 1 1 39 39 PRO HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5661 1 267 . 1 1 39 39 PRO HD2 H 1 3.83 0.02 . 2 . . . . . . . . 5661 1 268 . 1 1 39 39 PRO HD3 H 1 3.71 0.02 . 2 . . . . . . . . 5661 1 269 . 1 1 40 40 SER CA C 13 56.90 0.02 . 1 . . . . . . . . 5661 1 270 . 1 1 40 40 SER CB C 13 63.39 0.02 . 1 . . . . . . . . 5661 1 271 . 1 1 40 40 SER H H 1 7.19 0.02 . 1 . . . . . . . . 5661 1 272 . 1 1 40 40 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 5661 1 273 . 1 1 40 40 SER HB2 H 1 4.10 0.02 . 2 . . . . . . . . 5661 1 274 . 1 1 40 40 SER HB3 H 1 3.72 0.02 . 2 . . . . . . . . 5661 1 275 . 1 1 40 40 SER N N 15 108.89 0.02 . 1 . . . . . . . . 5661 1 276 . 1 1 41 41 ILE CA C 13 61.74 0.02 . 1 . . . . . . . . 5661 1 277 . 1 1 41 41 ILE CB C 13 39.00 0.02 . 1 . . . . . . . . 5661 1 278 . 1 1 41 41 ILE CG1 C 13 28.59 0.02 . 1 . . . . . . . . 5661 1 279 . 1 1 41 41 ILE CG2 C 13 16.96 0.02 . 1 . . . . . . . . 5661 1 280 . 1 1 41 41 ILE CD1 C 13 14.54 0.02 . 1 . . . . . . . . 5661 1 281 . 1 1 41 41 ILE H H 1 7.55 0.02 . 1 . . . . . . . . 5661 1 282 . 1 1 41 41 ILE HA H 1 4.08 0.02 . 1 . . . . . . . . 5661 1 283 . 1 1 41 41 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . 5661 1 284 . 1 1 41 41 ILE HG12 H 1 1.60 0.02 . 2 . . . . . . . . 5661 1 285 . 1 1 41 41 ILE HG13 H 1 1.38 0.02 . 2 . . . . . . . . 5661 1 286 . 1 1 41 41 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 5661 1 287 . 1 1 41 41 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 5661 1 288 . 1 1 41 41 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 5661 1 289 . 1 1 41 41 ILE HD11 H 1 0.57 0.02 . 1 . . . . . . . . 5661 1 290 . 1 1 41 41 ILE HD12 H 1 0.57 0.02 . 1 . . . . . . . . 5661 1 291 . 1 1 41 41 ILE HD13 H 1 0.57 0.02 . 1 . . . . . . . . 5661 1 292 . 1 1 41 41 ILE N N 15 124.50 0.02 . 1 . . . . . . . . 5661 1 293 . 1 1 42 42 SER CA C 13 56.36 0.02 . 1 . . . . . . . . 5661 1 294 . 1 1 42 42 SER CB C 13 66.26 0.02 . 1 . . . . . . . . 5661 1 295 . 1 1 42 42 SER H H 1 7.98 0.02 . 1 . . . . . . . . 5661 1 296 . 1 1 42 42 SER HA H 1 4.84 0.02 . 1 . . . . . . . . 5661 1 297 . 1 1 42 42 SER HB2 H 1 4.40 0.02 . 2 . . . . . . . . 5661 1 298 . 1 1 42 42 SER HB3 H 1 4.04 0.02 . 2 . . . . . . . . 5661 1 299 . 1 1 42 42 SER N N 15 119.39 0.02 . 1 . . . . . . . . 5661 1 300 . 1 1 43 43 PHE CA C 13 62.07 0.02 . 1 . . . . . . . . 5661 1 301 . 1 1 43 43 PHE CB C 13 39.21 0.02 . 1 . . . . . . . . 5661 1 302 . 1 1 43 43 PHE H H 1 9.27 0.02 . 1 . . . . . . . . 5661 1 303 . 1 1 43 43 PHE HA H 1 3.94 0.02 . 1 . . . . . . . . 5661 1 304 . 1 1 43 43 PHE HB2 H 1 2.93 0.02 . 2 . . . . . . . . 5661 1 305 . 1 1 43 43 PHE HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5661 1 306 . 1 1 43 43 PHE N N 15 121.97 0.02 . 1 . . . . . . . . 5661 1 307 . 1 1 44 44 GLU CA C 13 60.07 0.02 . 1 . . . . . . . . 5661 1 308 . 1 1 44 44 GLU CB C 13 29.27 0.02 . 1 . . . . . . . . 5661 1 309 . 1 1 44 44 GLU CG C 13 36.75 0.02 . 1 . . . . . . . . 5661 1 310 . 1 1 44 44 GLU H H 1 8.92 0.02 . 1 . . . . . . . . 5661 1 311 . 1 1 44 44 GLU HA H 1 3.72 0.02 . 1 . . . . . . . . 5661 1 312 . 1 1 44 44 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5661 1 313 . 1 1 44 44 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5661 1 314 . 1 1 44 44 GLU HG2 H 1 2.30 0.02 . 2 . . . . . . . . 5661 1 315 . 1 1 44 44 GLU N N 15 119.63 0.02 . 1 . . . . . . . . 5661 1 316 . 1 1 45 45 GLY CA C 13 46.69 0.02 . 1 . . . . . . . . 5661 1 317 . 1 1 45 45 GLY H H 1 8.27 0.02 . 1 . . . . . . . . 5661 1 318 . 1 1 45 45 GLY HA2 H 1 3.74 0.02 . 1 . . . . . . . . 5661 1 319 . 1 1 45 45 GLY HA3 H 1 3.64 0.02 . 1 . . . . . . . . 5661 1 320 . 1 1 45 45 GLY N N 15 109.22 0.02 . 1 . . . . . . . . 5661 1 321 . 1 1 46 46 LEU CA C 13 58.61 0.02 . 1 . . . . . . . . 5661 1 322 . 1 1 46 46 LEU CB C 13 41.21 0.02 . 1 . . . . . . . . 5661 1 323 . 1 1 46 46 LEU CG C 13 27.42 0.02 . 1 . . . . . . . . 5661 1 324 . 1 1 46 46 LEU CD1 C 13 26.75 0.02 . 1 . . . . . . . . 5661 1 325 . 1 1 46 46 LEU CD2 C 13 25.06 0.02 . 1 . . . . . . . . 5661 1 326 . 1 1 46 46 LEU H H 1 8.56 0.02 . 1 . . . . . . . . 5661 1 327 . 1 1 46 46 LEU HA H 1 3.66 0.02 . 1 . . . . . . . . 5661 1 328 . 1 1 46 46 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5661 1 329 . 1 1 46 46 LEU HB3 H 1 1.07 0.02 . 2 . . . . . . . . 5661 1 330 . 1 1 46 46 LEU HG H 1 1.25 0.02 . 1 . . . . . . . . 5661 1 331 . 1 1 46 46 LEU HD11 H 1 0.67 0.02 . 2 . . . . . . . . 5661 1 332 . 1 1 46 46 LEU HD12 H 1 0.67 0.02 . 2 . . . . . . . . 5661 1 333 . 1 1 46 46 LEU HD13 H 1 0.67 0.02 . 2 . . . . . . . . 5661 1 334 . 1 1 46 46 LEU HD21 H 1 0.40 0.02 . 2 . . . . . . . . 5661 1 335 . 1 1 46 46 LEU HD22 H 1 0.40 0.02 . 2 . . . . . . . . 5661 1 336 . 1 1 46 46 LEU HD23 H 1 0.40 0.02 . 2 . . . . . . . . 5661 1 337 . 1 1 46 46 LEU N N 15 125.39 0.02 . 1 . . . . . . . . 5661 1 338 . 1 1 47 47 CYS CA C 13 64.77 0.02 . 1 . . . . . . . . 5661 1 339 . 1 1 47 47 CYS CB C 13 26.77 0.02 . 1 . . . . . . . . 5661 1 340 . 1 1 47 47 CYS H H 1 8.11 0.02 . 1 . . . . . . . . 5661 1 341 . 1 1 47 47 CYS HA H 1 3.84 0.02 . 1 . . . . . . . . 5661 1 342 . 1 1 47 47 CYS HB2 H 1 2.89 0.02 . 2 . . . . . . . . 5661 1 343 . 1 1 47 47 CYS HB3 H 1 2.48 0.02 . 2 . . . . . . . . 5661 1 344 . 1 1 47 47 CYS N N 15 116.23 0.02 . 1 . . . . . . . . 5661 1 345 . 1 1 48 48 ASN CA C 13 55.98 0.02 . 1 . . . . . . . . 5661 1 346 . 1 1 48 48 ASN CB C 13 37.67 0.02 . 1 . . . . . . . . 5661 1 347 . 1 1 48 48 ASN H H 1 8.06 0.02 . 1 . . . . . . . . 5661 1 348 . 1 1 48 48 ASN HA H 1 4.37 0.02 . 1 . . . . . . . . 5661 1 349 . 1 1 48 48 ASN HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5661 1 350 . 1 1 48 48 ASN N N 15 117.75 0.02 . 1 . . . . . . . . 5661 1 351 . 1 1 49 49 GLU CA C 13 59.02 0.02 . 1 . . . . . . . . 5661 1 352 . 1 1 49 49 GLU CB C 13 29.35 0.02 . 1 . . . . . . . . 5661 1 353 . 1 1 49 49 GLU CG C 13 35.59 0.02 . 1 . . . . . . . . 5661 1 354 . 1 1 49 49 GLU H H 1 7.91 0.02 . 1 . . . . . . . . 5661 1 355 . 1 1 49 49 GLU N N 15 120.62 0.02 . 1 . . . . . . . . 5661 1 356 . 1 1 50 50 VAL CA C 13 66.87 0.02 . 1 . . . . . . . . 5661 1 357 . 1 1 50 50 VAL CB C 13 31.63 0.02 . 1 . . . . . . . . 5661 1 358 . 1 1 50 50 VAL CG1 C 13 23.53 0.02 . 1 . . . . . . . . 5661 1 359 . 1 1 50 50 VAL CG2 C 13 22.86 0.02 . 1 . . . . . . . . 5661 1 360 . 1 1 50 50 VAL H H 1 8.56 0.02 . 1 . . . . . . . . 5661 1 361 . 1 1 50 50 VAL HA H 1 3.47 0.02 . 1 . . . . . . . . 5661 1 362 . 1 1 50 50 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 5661 1 363 . 1 1 50 50 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 5661 1 364 . 1 1 50 50 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 5661 1 365 . 1 1 50 50 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 5661 1 366 . 1 1 50 50 VAL HG21 H 1 0.39 0.02 . 2 . . . . . . . . 5661 1 367 . 1 1 50 50 VAL HG22 H 1 0.39 0.02 . 2 . . . . . . . . 5661 1 368 . 1 1 50 50 VAL HG23 H 1 0.39 0.02 . 2 . . . . . . . . 5661 1 369 . 1 1 50 50 VAL N N 15 121.15 0.02 . 1 . . . . . . . . 5661 1 370 . 1 1 51 51 ARG CA C 13 60.25 0.02 . 1 . . . . . . . . 5661 1 371 . 1 1 51 51 ARG CB C 13 29.93 0.02 . 1 . . . . . . . . 5661 1 372 . 1 1 51 51 ARG CG C 13 28.95 0.02 . 1 . . . . . . . . 5661 1 373 . 1 1 51 51 ARG CD C 13 43.87 0.02 . 1 . . . . . . . . 5661 1 374 . 1 1 51 51 ARG H H 1 8.41 0.02 . 1 . . . . . . . . 5661 1 375 . 1 1 51 51 ARG HA H 1 3.50 0.02 . 1 . . . . . . . . 5661 1 376 . 1 1 51 51 ARG HG2 H 1 1.85 0.02 . 2 . . . . . . . . 5661 1 377 . 1 1 51 51 ARG HG3 H 1 1.99 0.02 . 2 . . . . . . . . 5661 1 378 . 1 1 51 51 ARG HD2 H 1 3.32 0.02 . 2 . . . . . . . . 5661 1 379 . 1 1 51 51 ARG HD3 H 1 3.25 0.02 . 2 . . . . . . . . 5661 1 380 . 1 1 51 51 ARG N N 15 119.19 0.02 . 1 . . . . . . . . 5661 1 381 . 1 1 52 52 ASP CA C 13 57.06 0.02 . 1 . . . . . . . . 5661 1 382 . 1 1 52 52 ASP CB C 13 41.13 0.02 . 1 . . . . . . . . 5661 1 383 . 1 1 52 52 ASP H H 1 7.38 0.02 . 1 . . . . . . . . 5661 1 384 . 1 1 52 52 ASP HA H 1 4.39 0.02 . 1 . . . . . . . . 5661 1 385 . 1 1 52 52 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5661 1 386 . 1 1 52 52 ASP N N 15 117.40 0.02 . 1 . . . . . . . . 5661 1 387 . 1 1 53 53 MET CA C 13 59.16 0.02 . 1 . . . . . . . . 5661 1 388 . 1 1 53 53 MET CB C 13 34.56 0.02 . 1 . . . . . . . . 5661 1 389 . 1 1 53 53 MET CG C 13 31.80 0.02 . 1 . . . . . . . . 5661 1 390 . 1 1 53 53 MET H H 1 8.44 0.02 . 1 . . . . . . . . 5661 1 391 . 1 1 53 53 MET HA H 1 3.90 0.02 . 1 . . . . . . . . 5661 1 392 . 1 1 53 53 MET HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5661 1 393 . 1 1 53 53 MET HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5661 1 394 . 1 1 53 53 MET HG2 H 1 2.65 0.02 . 2 . . . . . . . . 5661 1 395 . 1 1 53 53 MET HG3 H 1 2.50 0.02 . 2 . . . . . . . . 5661 1 396 . 1 1 53 53 MET N N 15 120.17 0.02 . 1 . . . . . . . . 5661 1 397 . 1 1 54 54 CYS CA C 13 59.46 0.02 . 1 . . . . . . . . 5661 1 398 . 1 1 54 54 CYS CB C 13 26.40 0.02 . 1 . . . . . . . . 5661 1 399 . 1 1 54 54 CYS H H 1 7.43 0.02 . 1 . . . . . . . . 5661 1 400 . 1 1 54 54 CYS HA H 1 3.72 0.02 . 1 . . . . . . . . 5661 1 401 . 1 1 54 54 CYS N N 15 113.24 0.02 . 1 . . . . . . . . 5661 1 402 . 1 1 55 55 SER CA C 13 58.48 0.02 . 1 . . . . . . . . 5661 1 403 . 1 1 55 55 SER CB C 13 61.22 0.02 . 1 . . . . . . . . 5661 1 404 . 1 1 55 55 SER H H 1 7.40 0.02 . 1 . . . . . . . . 5661 1 405 . 1 1 55 55 SER HA H 1 3.95 0.02 . 1 . . . . . . . . 5661 1 406 . 1 1 55 55 SER HB2 H 1 4.03 0.02 . 2 . . . . . . . . 5661 1 407 . 1 1 55 55 SER HB3 H 1 3.89 0.02 . 2 . . . . . . . . 5661 1 408 . 1 1 55 55 SER N N 15 112.40 0.02 . 1 . . . . . . . . 5661 1 409 . 1 1 56 56 PHE CA C 13 53.53 0.02 . 1 . . . . . . . . 5661 1 410 . 1 1 56 56 PHE CB C 13 39.51 0.02 . 1 . . . . . . . . 5661 1 411 . 1 1 56 56 PHE H H 1 8.01 0.02 . 1 . . . . . . . . 5661 1 412 . 1 1 56 56 PHE HA H 1 5.07 0.02 . 1 . . . . . . . . 5661 1 413 . 1 1 56 56 PHE HB2 H 1 3.30 0.02 . 2 . . . . . . . . 5661 1 414 . 1 1 56 56 PHE HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5661 1 415 . 1 1 56 56 PHE N N 15 117.22 0.02 . 1 . . . . . . . . 5661 1 416 . 1 1 57 57 ASP CA C 13 53.37 0.02 . 1 . . . . . . . . 5661 1 417 . 1 1 57 57 ASP CB C 13 41.50 0.02 . 1 . . . . . . . . 5661 1 418 . 1 1 57 57 ASP H H 1 8.57 0.02 . 1 . . . . . . . . 5661 1 419 . 1 1 57 57 ASP HA H 1 4.67 0.02 . 1 . . . . . . . . 5661 1 420 . 1 1 57 57 ASP HB2 H 1 2.95 0.02 . 2 . . . . . . . . 5661 1 421 . 1 1 57 57 ASP HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5661 1 422 . 1 1 57 57 ASP N N 15 120.72 0.02 . 1 . . . . . . . . 5661 1 423 . 1 1 58 58 ASN CA C 13 55.83 0.02 . 1 . . . . . . . . 5661 1 424 . 1 1 58 58 ASN CB C 13 38.92 0.02 . 1 . . . . . . . . 5661 1 425 . 1 1 58 58 ASN H H 1 8.62 0.02 . 1 . . . . . . . . 5661 1 426 . 1 1 58 58 ASN HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5661 1 427 . 1 1 58 58 ASN N N 15 116.92 0.02 . 1 . . . . . . . . 5661 1 428 . 1 1 59 59 GLU CA C 13 56.39 0.02 . 1 . . . . . . . . 5661 1 429 . 1 1 59 59 GLU CB C 13 30.01 0.02 . 1 . . . . . . . . 5661 1 430 . 1 1 59 59 GLU CG C 13 36.98 0.02 . 1 . . . . . . . . 5661 1 431 . 1 1 59 59 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 5661 1 432 . 1 1 59 59 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 5661 1 433 . 1 1 59 59 GLU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5661 1 434 . 1 1 59 59 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5661 1 435 . 1 1 59 59 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 5661 1 436 . 1 1 59 59 GLU N N 15 116.49 0.02 . 1 . . . . . . . . 5661 1 437 . 1 1 60 60 GLN CA C 13 56.07 0.02 . 1 . . . . . . . . 5661 1 438 . 1 1 60 60 GLN CB C 13 30.41 0.02 . 1 . . . . . . . . 5661 1 439 . 1 1 60 60 GLN CG C 13 32.89 0.02 . 1 . . . . . . . . 5661 1 440 . 1 1 60 60 GLN H H 1 7.51 0.02 . 1 . . . . . . . . 5661 1 441 . 1 1 60 60 GLN HA H 1 4.02 0.02 . 1 . . . . . . . . 5661 1 442 . 1 1 60 60 GLN HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5661 1 443 . 1 1 60 60 GLN HG2 H 1 1.80 0.02 . 2 . . . . . . . . 5661 1 444 . 1 1 60 60 GLN HG3 H 1 1.54 0.02 . 2 . . . . . . . . 5661 1 445 . 1 1 60 60 GLN N N 15 120.31 0.02 . 1 . . . . . . . . 5661 1 446 . 1 1 61 61 LEU CA C 13 54.14 0.02 . 1 . . . . . . . . 5661 1 447 . 1 1 61 61 LEU CB C 13 42.64 0.02 . 1 . . . . . . . . 5661 1 448 . 1 1 61 61 LEU CG C 13 26.86 0.02 . 1 . . . . . . . . 5661 1 449 . 1 1 61 61 LEU CD1 C 13 25.40 0.02 . 1 . . . . . . . . 5661 1 450 . 1 1 61 61 LEU CD2 C 13 23.13 0.02 . 1 . . . . . . . . 5661 1 451 . 1 1 61 61 LEU H H 1 8.69 0.02 . 1 . . . . . . . . 5661 1 452 . 1 1 61 61 LEU HA H 1 4.59 0.02 . 1 . . . . . . . . 5661 1 453 . 1 1 61 61 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 5661 1 454 . 1 1 61 61 LEU HB3 H 1 1.43 0.02 . 2 . . . . . . . . 5661 1 455 . 1 1 61 61 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 5661 1 456 . 1 1 61 61 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 5661 1 457 . 1 1 61 61 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 5661 1 458 . 1 1 61 61 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 5661 1 459 . 1 1 61 61 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 5661 1 460 . 1 1 61 61 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 5661 1 461 . 1 1 61 61 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 5661 1 462 . 1 1 61 61 LEU N N 15 127.77 0.02 . 1 . . . . . . . . 5661 1 463 . 1 1 62 62 PHE CA C 13 56.30 0.02 . 1 . . . . . . . . 5661 1 464 . 1 1 62 62 PHE CB C 13 41.50 0.02 . 1 . . . . . . . . 5661 1 465 . 1 1 62 62 PHE H H 1 8.13 0.02 . 1 . . . . . . . . 5661 1 466 . 1 1 62 62 PHE HA H 1 5.32 0.02 . 1 . . . . . . . . 5661 1 467 . 1 1 62 62 PHE HB2 H 1 2.81 0.02 . 2 . . . . . . . . 5661 1 468 . 1 1 62 62 PHE HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5661 1 469 . 1 1 62 62 PHE N N 15 118.05 0.02 . 1 . . . . . . . . 5661 1 470 . 1 1 63 63 THR CA C 13 60.34 0.02 . 1 . . . . . . . . 5661 1 471 . 1 1 63 63 THR CB C 13 72.08 0.02 . 1 . . . . . . . . 5661 1 472 . 1 1 63 63 THR CG2 C 13 22.40 0.02 . 1 . . . . . . . . 5661 1 473 . 1 1 63 63 THR H H 1 9.28 0.02 . 1 . . . . . . . . 5661 1 474 . 1 1 63 63 THR HA H 1 4.71 0.02 . 1 . . . . . . . . 5661 1 475 . 1 1 63 63 THR HB H 1 4.14 0.02 . 1 . . . . . . . . 5661 1 476 . 1 1 63 63 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 5661 1 477 . 1 1 63 63 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 5661 1 478 . 1 1 63 63 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 5661 1 479 . 1 1 63 63 THR N N 15 114.75 0.02 . 1 . . . . . . . . 5661 1 480 . 1 1 64 64 MET CA C 13 54.49 0.02 . 1 . . . . . . . . 5661 1 481 . 1 1 64 64 MET CB C 13 38.04 0.02 . 1 . . . . . . . . 5661 1 482 . 1 1 64 64 MET CG C 13 33.00 0.02 . 1 . . . . . . . . 5661 1 483 . 1 1 64 64 MET H H 1 9.03 0.02 . 1 . . . . . . . . 5661 1 484 . 1 1 64 64 MET HA H 1 5.76 0.02 . 1 . . . . . . . . 5661 1 485 . 1 1 64 64 MET HB2 H 1 2.50 0.02 . 2 . . . . . . . . 5661 1 486 . 1 1 64 64 MET HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5661 1 487 . 1 1 64 64 MET HG2 H 1 2.73 0.02 . 2 . . . . . . . . 5661 1 488 . 1 1 64 64 MET HG3 H 1 2.49 0.02 . 2 . . . . . . . . 5661 1 489 . 1 1 64 64 MET N N 15 121.77 0.02 . 1 . . . . . . . . 5661 1 490 . 1 1 65 65 LYS CA C 13 54.31 0.02 . 1 . . . . . . . . 5661 1 491 . 1 1 65 65 LYS CB C 13 37.01 0.02 . 1 . . . . . . . . 5661 1 492 . 1 1 65 65 LYS CG C 13 25.84 0.02 . 1 . . . . . . . . 5661 1 493 . 1 1 65 65 LYS CD C 13 30.25 0.02 . 1 . . . . . . . . 5661 1 494 . 1 1 65 65 LYS CE C 13 42.23 0.02 . 1 . . . . . . . . 5661 1 495 . 1 1 65 65 LYS H H 1 9.20 0.02 . 1 . . . . . . . . 5661 1 496 . 1 1 65 65 LYS HA H 1 5.42 0.02 . 1 . . . . . . . . 5661 1 497 . 1 1 65 65 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5661 1 498 . 1 1 65 65 LYS HB3 H 1 1.62 0.02 . 2 . . . . . . . . 5661 1 499 . 1 1 65 65 LYS HG2 H 1 1.50 0.02 . 2 . . . . . . . . 5661 1 500 . 1 1 65 65 LYS HG3 H 1 1.41 0.02 . 2 . . . . . . . . 5661 1 501 . 1 1 65 65 LYS HD2 H 1 1.51 0.02 . 2 . . . . . . . . 5661 1 502 . 1 1 65 65 LYS HD3 H 1 1.41 0.02 . 2 . . . . . . . . 5661 1 503 . 1 1 65 65 LYS HE2 H 1 2.71 0.02 . 2 . . . . . . . . 5661 1 504 . 1 1 65 65 LYS HE3 H 1 2.60 0.02 . 2 . . . . . . . . 5661 1 505 . 1 1 65 65 LYS N N 15 119.87 0.02 . 1 . . . . . . . . 5661 1 506 . 1 1 66 66 TRP HE1 H 1 10.16 0.02 . 1 . . . . . . . . 5661 1 507 . 1 1 66 66 TRP CA C 13 54.48 0.02 . 1 . . . . . . . . 5661 1 508 . 1 1 66 66 TRP CB C 13 30.82 0.02 . 1 . . . . . . . . 5661 1 509 . 1 1 66 66 TRP NE1 N 15 129.58 0.02 . 1 . . . . . . . . 5661 1 510 . 1 1 66 66 TRP H H 1 9.55 0.02 . 1 . . . . . . . . 5661 1 511 . 1 1 66 66 TRP HA H 1 5.95 0.02 . 1 . . . . . . . . 5661 1 512 . 1 1 66 66 TRP HB2 H 1 3.43 0.02 . 2 . . . . . . . . 5661 1 513 . 1 1 66 66 TRP HB3 H 1 2.96 0.02 . 2 . . . . . . . . 5661 1 514 . 1 1 66 66 TRP N N 15 123.74 0.02 . 1 . . . . . . . . 5661 1 515 . 1 1 67 67 ILE CA C 13 58.45 0.02 . 1 . . . . . . . . 5661 1 516 . 1 1 67 67 ILE CB C 13 36.27 0.02 . 1 . . . . . . . . 5661 1 517 . 1 1 67 67 ILE CG1 C 13 26.82 0.02 . 1 . . . . . . . . 5661 1 518 . 1 1 67 67 ILE CG2 C 13 17.29 0.02 . 1 . . . . . . . . 5661 1 519 . 1 1 67 67 ILE H H 1 8.25 0.02 . 1 . . . . . . . . 5661 1 520 . 1 1 67 67 ILE HA H 1 4.20 0.02 . 1 . . . . . . . . 5661 1 521 . 1 1 67 67 ILE HB H 1 2.02 0.02 . 1 . . . . . . . . 5661 1 522 . 1 1 67 67 ILE HG12 H 1 1.27 0.02 . 2 . . . . . . . . 5661 1 523 . 1 1 67 67 ILE HG13 H 1 1.10 0.02 . 2 . . . . . . . . 5661 1 524 . 1 1 67 67 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 5661 1 525 . 1 1 67 67 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 5661 1 526 . 1 1 67 67 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 5661 1 527 . 1 1 67 67 ILE HD11 H 1 0.24 0.02 . 1 . . . . . . . . 5661 1 528 . 1 1 67 67 ILE HD12 H 1 0.24 0.02 . 1 . . . . . . . . 5661 1 529 . 1 1 67 67 ILE HD13 H 1 0.24 0.02 . 1 . . . . . . . . 5661 1 530 . 1 1 67 67 ILE N N 15 122.85 0.02 . 1 . . . . . . . . 5661 1 531 . 1 1 68 68 ASP CA C 13 52.75 0.02 . 1 . . . . . . . . 5661 1 532 . 1 1 68 68 ASP CB C 13 41.13 0.02 . 1 . . . . . . . . 5661 1 533 . 1 1 68 68 ASP H H 1 8.03 0.02 . 1 . . . . . . . . 5661 1 534 . 1 1 68 68 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 5661 1 535 . 1 1 68 68 ASP HB2 H 1 3.10 0.02 . 2 . . . . . . . . 5661 1 536 . 1 1 68 68 ASP HB3 H 1 2.19 0.02 . 2 . . . . . . . . 5661 1 537 . 1 1 68 68 ASP N N 15 128.29 0.02 . 1 . . . . . . . . 5661 1 538 . 1 1 69 69 GLU CA C 13 58.70 0.02 . 1 . . . . . . . . 5661 1 539 . 1 1 69 69 GLU CB C 13 29.49 0.02 . 1 . . . . . . . . 5661 1 540 . 1 1 69 69 GLU CG C 13 36.41 0.02 . 1 . . . . . . . . 5661 1 541 . 1 1 69 69 GLU H H 1 8.75 0.02 . 1 . . . . . . . . 5661 1 542 . 1 1 69 69 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 5661 1 543 . 1 1 69 69 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5661 1 544 . 1 1 69 69 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 5661 1 545 . 1 1 69 69 GLU N N 15 117.02 0.02 . 1 . . . . . . . . 5661 1 546 . 1 1 70 70 GLU CA C 13 55.70 0.02 . 1 . . . . . . . . 5661 1 547 . 1 1 70 70 GLU CB C 13 29.86 0.02 . 1 . . . . . . . . 5661 1 548 . 1 1 70 70 GLU CG C 13 36.69 0.02 . 1 . . . . . . . . 5661 1 549 . 1 1 70 70 GLU H H 1 8.02 0.02 . 1 . . . . . . . . 5661 1 550 . 1 1 70 70 GLU HA H 1 4.34 0.02 . 1 . . . . . . . . 5661 1 551 . 1 1 70 70 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 5661 1 552 . 1 1 70 70 GLU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5661 1 553 . 1 1 70 70 GLU HG2 H 1 2.26 0.02 . 2 . . . . . . . . 5661 1 554 . 1 1 70 70 GLU HG3 H 1 2.15 0.02 . 2 . . . . . . . . 5661 1 555 . 1 1 70 70 GLU N N 15 118.19 0.02 . 1 . . . . . . . . 5661 1 556 . 1 1 71 71 GLY CA C 13 44.80 0.02 . 1 . . . . . . . . 5661 1 557 . 1 1 71 71 GLY H H 1 8.16 0.02 . 1 . . . . . . . . 5661 1 558 . 1 1 71 71 GLY HA2 H 1 4.11 0.02 . 1 . . . . . . . . 5661 1 559 . 1 1 71 71 GLY HA3 H 1 3.40 0.02 . 1 . . . . . . . . 5661 1 560 . 1 1 71 71 GLY N N 15 108.53 0.02 . 1 . . . . . . . . 5661 1 561 . 1 1 72 72 ASP CA C 13 52.16 0.02 . 1 . . . . . . . . 5661 1 562 . 1 1 72 72 ASP CB C 13 40.91 0.02 . 1 . . . . . . . . 5661 1 563 . 1 1 72 72 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 5661 1 564 . 1 1 72 72 ASP N N 15 123.92 0.02 . 1 . . . . . . . . 5661 1 565 . 1 1 73 73 PRO CA C 13 61.95 0.02 . 1 . . . . . . . . 5661 1 566 . 1 1 73 73 PRO CB C 13 32.74 0.02 . 1 . . . . . . . . 5661 1 567 . 1 1 73 73 PRO CG C 13 27.45 0.02 . 1 . . . . . . . . 5661 1 568 . 1 1 73 73 PRO CD C 13 50.86 0.02 . 1 . . . . . . . . 5661 1 569 . 1 1 73 73 PRO HA H 1 4.63 0.02 . 1 . . . . . . . . 5661 1 570 . 1 1 73 73 PRO HB2 H 1 0.80 0.02 . 2 . . . . . . . . 5661 1 571 . 1 1 73 73 PRO HB3 H 1 0.69 0.02 . 2 . . . . . . . . 5661 1 572 . 1 1 73 73 PRO HG2 H 1 2.07 0.02 . 2 . . . . . . . . 5661 1 573 . 1 1 73 73 PRO HD2 H 1 3.93 0.02 . 2 . . . . . . . . 5661 1 574 . 1 1 73 73 PRO HD3 H 1 3.63 0.02 . 2 . . . . . . . . 5661 1 575 . 1 1 74 74 CYS CA C 13 57.62 0.02 . 1 . . . . . . . . 5661 1 576 . 1 1 74 74 CYS CB C 13 29.17 0.02 . 1 . . . . . . . . 5661 1 577 . 1 1 74 74 CYS H H 1 9.28 0.02 . 1 . . . . . . . . 5661 1 578 . 1 1 74 74 CYS HA H 1 4.59 0.02 . 1 . . . . . . . . 5661 1 579 . 1 1 74 74 CYS HB2 H 1 2.41 0.02 . 2 . . . . . . . . 5661 1 580 . 1 1 74 74 CYS HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5661 1 581 . 1 1 74 74 CYS N N 15 124.93 0.02 . 1 . . . . . . . . 5661 1 582 . 1 1 75 75 THR CA C 13 64.44 0.02 . 1 . . . . . . . . 5661 1 583 . 1 1 75 75 THR CB C 13 69.62 0.02 . 1 . . . . . . . . 5661 1 584 . 1 1 75 75 THR CG2 C 13 22.76 0.02 . 1 . . . . . . . . 5661 1 585 . 1 1 75 75 THR H H 1 8.81 0.02 . 1 . . . . . . . . 5661 1 586 . 1 1 75 75 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 5661 1 587 . 1 1 75 75 THR HB H 1 4.11 0.02 . 1 . . . . . . . . 5661 1 588 . 1 1 75 75 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . 5661 1 589 . 1 1 75 75 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . 5661 1 590 . 1 1 75 75 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . 5661 1 591 . 1 1 75 75 THR N N 15 121.59 0.02 . 1 . . . . . . . . 5661 1 592 . 1 1 76 76 VAL CA C 13 61.48 0.02 . 1 . . . . . . . . 5661 1 593 . 1 1 76 76 VAL CB C 13 32.51 0.02 . 1 . . . . . . . . 5661 1 594 . 1 1 76 76 VAL CG1 C 13 21.52 0.02 . 1 . . . . . . . . 5661 1 595 . 1 1 76 76 VAL CG2 C 13 21.39 0.02 . 1 . . . . . . . . 5661 1 596 . 1 1 76 76 VAL H H 1 8.31 0.02 . 1 . . . . . . . . 5661 1 597 . 1 1 76 76 VAL HA H 1 4.35 0.02 . 1 . . . . . . . . 5661 1 598 . 1 1 76 76 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 5661 1 599 . 1 1 76 76 VAL HG11 H 1 0.91 0.02 . 1 . . . . . . . . 5661 1 600 . 1 1 76 76 VAL HG12 H 1 0.91 0.02 . 1 . . . . . . . . 5661 1 601 . 1 1 76 76 VAL HG13 H 1 0.91 0.02 . 1 . . . . . . . . 5661 1 602 . 1 1 76 76 VAL HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5661 1 603 . 1 1 76 76 VAL HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5661 1 604 . 1 1 76 76 VAL HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5661 1 605 . 1 1 76 76 VAL N N 15 123.39 0.02 . 1 . . . . . . . . 5661 1 606 . 1 1 77 77 SER CA C 13 57.80 0.02 . 1 . . . . . . . . 5661 1 607 . 1 1 77 77 SER CB C 13 65.57 0.02 . 1 . . . . . . . . 5661 1 608 . 1 1 77 77 SER H H 1 9.33 0.02 . 1 . . . . . . . . 5661 1 609 . 1 1 77 77 SER HA H 1 4.64 0.02 . 1 . . . . . . . . 5661 1 610 . 1 1 77 77 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 5661 1 611 . 1 1 77 77 SER HB3 H 1 3.72 0.02 . 2 . . . . . . . . 5661 1 612 . 1 1 77 77 SER N N 15 121.71 0.02 . 1 . . . . . . . . 5661 1 613 . 1 1 78 78 SER CA C 13 55.84 0.02 . 1 . . . . . . . . 5661 1 614 . 1 1 78 78 SER CB C 13 66.63 0.02 . 1 . . . . . . . . 5661 1 615 . 1 1 78 78 SER H H 1 7.12 0.02 . 1 . . . . . . . . 5661 1 616 . 1 1 78 78 SER N N 15 115.23 0.02 . 1 . . . . . . . . 5661 1 617 . 1 1 79 79 GLN CA C 13 58.77 0.02 . 1 . . . . . . . . 5661 1 618 . 1 1 79 79 GLN CB C 13 29.35 0.02 . 1 . . . . . . . . 5661 1 619 . 1 1 79 79 GLN CG C 13 32.33 0.02 . 1 . . . . . . . . 5661 1 620 . 1 1 79 79 GLN H H 1 8.89 0.02 . 1 . . . . . . . . 5661 1 621 . 1 1 79 79 GLN N N 15 120.89 0.02 . 1 . . . . . . . . 5661 1 622 . 1 1 80 80 LEU CA C 13 58.21 0.02 . 1 . . . . . . . . 5661 1 623 . 1 1 80 80 LEU CB C 13 42.26 0.02 . 1 . . . . . . . . 5661 1 624 . 1 1 80 80 LEU CG C 13 27.48 0.02 . 1 . . . . . . . . 5661 1 625 . 1 1 80 80 LEU CD1 C 13 24.88 0.02 . 1 . . . . . . . . 5661 1 626 . 1 1 80 80 LEU CD2 C 13 24.35 0.02 . 1 . . . . . . . . 5661 1 627 . 1 1 80 80 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 5661 1 628 . 1 1 80 80 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 5661 1 629 . 1 1 80 80 LEU HB2 H 1 1.60 0.02 . 2 . . . . . . . . 5661 1 630 . 1 1 80 80 LEU HB3 H 1 1.49 0.02 . 2 . . . . . . . . 5661 1 631 . 1 1 80 80 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 5661 1 632 . 1 1 80 80 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 5661 1 633 . 1 1 80 80 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 5661 1 634 . 1 1 80 80 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 5661 1 635 . 1 1 80 80 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 5661 1 636 . 1 1 80 80 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 5661 1 637 . 1 1 80 80 LEU N N 15 118.25 0.02 . 1 . . . . . . . . 5661 1 638 . 1 1 81 81 GLU CA C 13 58.88 0.02 . 1 . . . . . . . . 5661 1 639 . 1 1 81 81 GLU CB C 13 30.38 0.02 . 1 . . . . . . . . 5661 1 640 . 1 1 81 81 GLU CG C 13 37.53 0.02 . 1 . . . . . . . . 5661 1 641 . 1 1 81 81 GLU H H 1 7.45 0.02 . 1 . . . . . . . . 5661 1 642 . 1 1 81 81 GLU HA H 1 4.06 0.02 . 1 . . . . . . . . 5661 1 643 . 1 1 81 81 GLU HB2 H 1 2.34 0.02 . 2 . . . . . . . . 5661 1 644 . 1 1 81 81 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5661 1 645 . 1 1 81 81 GLU HG2 H 1 2.50 0.02 . 2 . . . . . . . . 5661 1 646 . 1 1 81 81 GLU HG3 H 1 2.20 0.02 . 2 . . . . . . . . 5661 1 647 . 1 1 81 81 GLU N N 15 117.67 0.02 . 1 . . . . . . . . 5661 1 648 . 1 1 82 82 LEU CA C 13 57.67 0.02 . 1 . . . . . . . . 5661 1 649 . 1 1 82 82 LEU CB C 13 42.31 0.02 . 1 . . . . . . . . 5661 1 650 . 1 1 82 82 LEU CG C 13 26.31 0.02 . 1 . . . . . . . . 5661 1 651 . 1 1 82 82 LEU CD1 C 13 24.66 0.02 . 1 . . . . . . . . 5661 1 652 . 1 1 82 82 LEU CD2 C 13 24.14 0.02 . 1 . . . . . . . . 5661 1 653 . 1 1 82 82 LEU H H 1 7.89 0.02 . 1 . . . . . . . . 5661 1 654 . 1 1 82 82 LEU HA H 1 3.67 0.02 . 1 . . . . . . . . 5661 1 655 . 1 1 82 82 LEU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 5661 1 656 . 1 1 82 82 LEU HB3 H 1 1.15 0.02 . 2 . . . . . . . . 5661 1 657 . 1 1 82 82 LEU HG H 1 0.92 0.02 . 1 . . . . . . . . 5661 1 658 . 1 1 82 82 LEU HD11 H 1 0.60 0.02 . 2 . . . . . . . . 5661 1 659 . 1 1 82 82 LEU HD12 H 1 0.60 0.02 . 2 . . . . . . . . 5661 1 660 . 1 1 82 82 LEU HD13 H 1 0.60 0.02 . 2 . . . . . . . . 5661 1 661 . 1 1 82 82 LEU HD21 H 1 0.32 0.02 . 2 . . . . . . . . 5661 1 662 . 1 1 82 82 LEU HD22 H 1 0.32 0.02 . 2 . . . . . . . . 5661 1 663 . 1 1 82 82 LEU HD23 H 1 0.32 0.02 . 2 . . . . . . . . 5661 1 664 . 1 1 82 82 LEU N N 15 122.25 0.02 . 1 . . . . . . . . 5661 1 665 . 1 1 83 83 GLU CA C 13 59.67 0.02 . 1 . . . . . . . . 5661 1 666 . 1 1 83 83 GLU CB C 13 29.05 0.02 . 1 . . . . . . . . 5661 1 667 . 1 1 83 83 GLU CG C 13 37.44 0.02 . 1 . . . . . . . . 5661 1 668 . 1 1 83 83 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 5661 1 669 . 1 1 83 83 GLU HA H 1 3.81 0.02 . 1 . . . . . . . . 5661 1 670 . 1 1 83 83 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5661 1 671 . 1 1 83 83 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 5661 1 672 . 1 1 83 83 GLU HG2 H 1 2.63 0.02 . 2 . . . . . . . . 5661 1 673 . 1 1 83 83 GLU HG3 H 1 2.31 0.02 . 2 . . . . . . . . 5661 1 674 . 1 1 83 83 GLU N N 15 117.54 0.02 . 1 . . . . . . . . 5661 1 675 . 1 1 84 84 GLU CA C 13 58.79 0.02 . 1 . . . . . . . . 5661 1 676 . 1 1 84 84 GLU CB C 13 29.49 0.02 . 1 . . . . . . . . 5661 1 677 . 1 1 84 84 GLU CG C 13 35.77 0.02 . 1 . . . . . . . . 5661 1 678 . 1 1 84 84 GLU H H 1 7.68 0.02 . 1 . . . . . . . . 5661 1 679 . 1 1 84 84 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 5661 1 680 . 1 1 84 84 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5661 1 681 . 1 1 84 84 GLU HG2 H 1 2.40 0.02 . 2 . . . . . . . . 5661 1 682 . 1 1 84 84 GLU N N 15 119.75 0.02 . 1 . . . . . . . . 5661 1 683 . 1 1 85 85 ALA CA C 13 54.96 0.02 . 1 . . . . . . . . 5661 1 684 . 1 1 85 85 ALA CB C 13 15.71 0.02 . 1 . . . . . . . . 5661 1 685 . 1 1 85 85 ALA H H 1 7.46 0.02 . 1 . . . . . . . . 5661 1 686 . 1 1 85 85 ALA HA H 1 3.23 0.02 . 1 . . . . . . . . 5661 1 687 . 1 1 85 85 ALA HB1 H 1 0.46 0.02 . 1 . . . . . . . . 5661 1 688 . 1 1 85 85 ALA HB2 H 1 0.46 0.02 . 1 . . . . . . . . 5661 1 689 . 1 1 85 85 ALA HB3 H 1 0.46 0.02 . 1 . . . . . . . . 5661 1 690 . 1 1 85 85 ALA N N 15 122.23 0.02 . 1 . . . . . . . . 5661 1 691 . 1 1 86 86 PHE CA C 13 58.69 0.02 . 1 . . . . . . . . 5661 1 692 . 1 1 86 86 PHE CB C 13 37.23 0.02 . 1 . . . . . . . . 5661 1 693 . 1 1 86 86 PHE H H 1 8.38 0.02 . 1 . . . . . . . . 5661 1 694 . 1 1 86 86 PHE N N 15 116.72 0.02 . 1 . . . . . . . . 5661 1 695 . 1 1 87 87 ARG CA C 13 59.53 0.02 . 1 . . . . . . . . 5661 1 696 . 1 1 87 87 ARG CB C 13 30.52 0.02 . 1 . . . . . . . . 5661 1 697 . 1 1 87 87 ARG CG C 13 28.47 0.02 . 1 . . . . . . . . 5661 1 698 . 1 1 87 87 ARG CD C 13 43.26 0.02 . 1 . . . . . . . . 5661 1 699 . 1 1 87 87 ARG H H 1 8.40 0.02 . 1 . . . . . . . . 5661 1 700 . 1 1 87 87 ARG N N 15 122.59 0.02 . 1 . . . . . . . . 5661 1 701 . 1 1 88 88 LEU CA C 13 57.67 0.02 . 1 . . . . . . . . 5661 1 702 . 1 1 88 88 LEU CB C 13 41.58 0.02 . 1 . . . . . . . . 5661 1 703 . 1 1 88 88 LEU CG C 13 27.61 0.02 . 1 . . . . . . . . 5661 1 704 . 1 1 88 88 LEU CD1 C 13 25.97 0.02 . 1 . . . . . . . . 5661 1 705 . 1 1 88 88 LEU CD2 C 13 23.75 0.02 . 1 . . . . . . . . 5661 1 706 . 1 1 88 88 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 5661 1 707 . 1 1 88 88 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 5661 1 708 . 1 1 88 88 LEU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5661 1 709 . 1 1 88 88 LEU HB3 H 1 1.68 0.02 . 2 . . . . . . . . 5661 1 710 . 1 1 88 88 LEU HG H 1 1.85 0.02 . 1 . . . . . . . . 5661 1 711 . 1 1 88 88 LEU HD11 H 1 1.16 0.02 . 2 . . . . . . . . 5661 1 712 . 1 1 88 88 LEU HD12 H 1 1.16 0.02 . 2 . . . . . . . . 5661 1 713 . 1 1 88 88 LEU HD13 H 1 1.16 0.02 . 2 . . . . . . . . 5661 1 714 . 1 1 88 88 LEU HD21 H 1 1.00 0.02 . 2 . . . . . . . . 5661 1 715 . 1 1 88 88 LEU HD22 H 1 1.00 0.02 . 2 . . . . . . . . 5661 1 716 . 1 1 88 88 LEU HD23 H 1 1.00 0.02 . 2 . . . . . . . . 5661 1 717 . 1 1 88 88 LEU N N 15 120.45 0.02 . 1 . . . . . . . . 5661 1 718 . 1 1 89 89 TYR CA C 13 60.39 0.02 . 1 . . . . . . . . 5661 1 719 . 1 1 89 89 TYR CB C 13 38.19 0.02 . 1 . . . . . . . . 5661 1 720 . 1 1 89 89 TYR H H 1 7.90 0.02 . 1 . . . . . . . . 5661 1 721 . 1 1 89 89 TYR N N 15 121.16 0.02 . 1 . . . . . . . . 5661 1 722 . 1 1 90 90 GLU CA C 13 58.45 0.02 . 1 . . . . . . . . 5661 1 723 . 1 1 90 90 GLU CB C 13 30.10 0.02 . 1 . . . . . . . . 5661 1 724 . 1 1 90 90 GLU CG C 13 36.57 0.02 . 1 . . . . . . . . 5661 1 725 . 1 1 90 90 GLU H H 1 7.79 0.02 . 1 . . . . . . . . 5661 1 726 . 1 1 90 90 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 5661 1 727 . 1 1 90 90 GLU HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5661 1 728 . 1 1 90 90 GLU HB3 H 1 2.14 0.02 . 2 . . . . . . . . 5661 1 729 . 1 1 90 90 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 5661 1 730 . 1 1 90 90 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 5661 1 731 . 1 1 90 90 GLU N N 15 118.75 0.02 . 1 . . . . . . . . 5661 1 732 . 1 1 91 91 LEU CA C 13 57.14 0.02 . 1 . . . . . . . . 5661 1 733 . 1 1 91 91 LEU CB C 13 42.76 0.02 . 1 . . . . . . . . 5661 1 734 . 1 1 91 91 LEU CG C 13 27.07 0.02 . 1 . . . . . . . . 5661 1 735 . 1 1 91 91 LEU CD1 C 13 24.92 0.02 . 1 . . . . . . . . 5661 1 736 . 1 1 91 91 LEU CD2 C 13 24.56 0.02 . 1 . . . . . . . . 5661 1 737 . 1 1 91 91 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 5661 1 738 . 1 1 91 91 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 5661 1 739 . 1 1 91 91 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5661 1 740 . 1 1 91 91 LEU HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5661 1 741 . 1 1 91 91 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 5661 1 742 . 1 1 91 91 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 5661 1 743 . 1 1 91 91 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 5661 1 744 . 1 1 91 91 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 5661 1 745 . 1 1 91 91 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 5661 1 746 . 1 1 91 91 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 5661 1 747 . 1 1 91 91 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 5661 1 748 . 1 1 91 91 LEU N N 15 120.74 0.02 . 1 . . . . . . . . 5661 1 749 . 1 1 92 92 ASN CA C 13 52.95 0.02 . 1 . . . . . . . . 5661 1 750 . 1 1 92 92 ASN CB C 13 38.85 0.02 . 1 . . . . . . . . 5661 1 751 . 1 1 92 92 ASN H H 1 8.29 0.02 . 1 . . . . . . . . 5661 1 752 . 1 1 92 92 ASN HA H 1 4.63 0.02 . 1 . . . . . . . . 5661 1 753 . 1 1 92 92 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 5661 1 754 . 1 1 92 92 ASN HB3 H 1 2.80 0.02 . 2 . . . . . . . . 5661 1 755 . 1 1 92 92 ASN N N 15 115.48 0.02 . 1 . . . . . . . . 5661 1 756 . 1 1 93 93 LYS CA C 13 56.65 0.02 . 1 . . . . . . . . 5661 1 757 . 1 1 93 93 LYS CB C 13 30.30 0.02 . 1 . . . . . . . . 5661 1 758 . 1 1 93 93 LYS CG C 13 24.81 0.02 . 1 . . . . . . . . 5661 1 759 . 1 1 93 93 LYS CD C 13 29.59 0.02 . 1 . . . . . . . . 5661 1 760 . 1 1 93 93 LYS CE C 13 42.55 0.02 . 1 . . . . . . . . 5661 1 761 . 1 1 93 93 LYS H H 1 7.89 0.02 . 1 . . . . . . . . 5661 1 762 . 1 1 93 93 LYS HA H 1 3.92 0.02 . 1 . . . . . . . . 5661 1 763 . 1 1 93 93 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 5661 1 764 . 1 1 93 93 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5661 1 765 . 1 1 93 93 LYS HG2 H 1 1.31 0.02 . 2 . . . . . . . . 5661 1 766 . 1 1 93 93 LYS HE2 H 1 2.97 0.02 . 2 . . . . . . . . 5661 1 767 . 1 1 93 93 LYS N N 15 118.74 0.02 . 1 . . . . . . . . 5661 1 768 . 1 1 94 94 ASP CA C 13 54.70 0.02 . 1 . . . . . . . . 5661 1 769 . 1 1 94 94 ASP CB C 13 41.73 0.02 . 1 . . . . . . . . 5661 1 770 . 1 1 94 94 ASP H H 1 7.74 0.02 . 1 . . . . . . . . 5661 1 771 . 1 1 94 94 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5661 1 772 . 1 1 94 94 ASP HB2 H 1 2.68 0.02 . 2 . . . . . . . . 5661 1 773 . 1 1 94 94 ASP HB3 H 1 2.38 0.02 . 2 . . . . . . . . 5661 1 774 . 1 1 94 94 ASP N N 15 118.83 0.02 . 1 . . . . . . . . 5661 1 775 . 1 1 95 95 SER CA C 13 58.82 0.02 . 1 . . . . . . . . 5661 1 776 . 1 1 95 95 SER CB C 13 64.42 0.02 . 1 . . . . . . . . 5661 1 777 . 1 1 95 95 SER H H 1 8.44 0.02 . 1 . . . . . . . . 5661 1 778 . 1 1 95 95 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 5661 1 779 . 1 1 95 95 SER HB2 H 1 3.88 0.02 . 2 . . . . . . . . 5661 1 780 . 1 1 95 95 SER N N 15 113.55 0.02 . 1 . . . . . . . . 5661 1 781 . 1 1 96 96 GLU CA C 13 55.33 0.02 . 1 . . . . . . . . 5661 1 782 . 1 1 96 96 GLU CB C 13 32.07 0.02 . 1 . . . . . . . . 5661 1 783 . 1 1 96 96 GLU CG C 13 35.90 0.02 . 1 . . . . . . . . 5661 1 784 . 1 1 96 96 GLU H H 1 7.85 0.02 . 1 . . . . . . . . 5661 1 785 . 1 1 96 96 GLU HA H 1 4.92 0.02 . 1 . . . . . . . . 5661 1 786 . 1 1 96 96 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5661 1 787 . 1 1 96 96 GLU HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5661 1 788 . 1 1 96 96 GLU HG2 H 1 2.06 0.02 . 2 . . . . . . . . 5661 1 789 . 1 1 96 96 GLU HG3 H 1 2.00 0.02 . 2 . . . . . . . . 5661 1 790 . 1 1 96 96 GLU N N 15 117.39 0.02 . 1 . . . . . . . . 5661 1 791 . 1 1 97 97 LEU CA C 13 54.37 0.02 . 1 . . . . . . . . 5661 1 792 . 1 1 97 97 LEU CB C 13 43.42 0.02 . 1 . . . . . . . . 5661 1 793 . 1 1 97 97 LEU CG C 13 27.64 0.02 . 1 . . . . . . . . 5661 1 794 . 1 1 97 97 LEU CD1 C 13 25.53 0.02 . 1 . . . . . . . . 5661 1 795 . 1 1 97 97 LEU CD2 C 13 25.17 0.02 . 1 . . . . . . . . 5661 1 796 . 1 1 97 97 LEU H H 1 9.01 0.02 . 1 . . . . . . . . 5661 1 797 . 1 1 97 97 LEU HA H 1 4.73 0.02 . 1 . . . . . . . . 5661 1 798 . 1 1 97 97 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5661 1 799 . 1 1 97 97 LEU HB3 H 1 1.13 0.02 . 2 . . . . . . . . 5661 1 800 . 1 1 97 97 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 5661 1 801 . 1 1 97 97 LEU HD11 H 1 0.97 0.02 . 1 . . . . . . . . 5661 1 802 . 1 1 97 97 LEU HD12 H 1 0.97 0.02 . 1 . . . . . . . . 5661 1 803 . 1 1 97 97 LEU HD13 H 1 0.97 0.02 . 1 . . . . . . . . 5661 1 804 . 1 1 97 97 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 5661 1 805 . 1 1 97 97 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 5661 1 806 . 1 1 97 97 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 5661 1 807 . 1 1 97 97 LEU N N 15 127.02 0.02 . 1 . . . . . . . . 5661 1 808 . 1 1 98 98 LEU CA C 13 54.22 0.02 . 1 . . . . . . . . 5661 1 809 . 1 1 98 98 LEU CB C 13 43.12 0.02 . 1 . . . . . . . . 5661 1 810 . 1 1 98 98 LEU CG C 13 28.57 0.02 . 1 . . . . . . . . 5661 1 811 . 1 1 98 98 LEU CD1 C 13 25.32 0.02 . 1 . . . . . . . . 5661 1 812 . 1 1 98 98 LEU CD2 C 13 24.86 0.02 . 1 . . . . . . . . 5661 1 813 . 1 1 98 98 LEU H H 1 9.20 0.02 . 1 . . . . . . . . 5661 1 814 . 1 1 98 98 LEU HA H 1 5.33 0.02 . 1 . . . . . . . . 5661 1 815 . 1 1 98 98 LEU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5661 1 816 . 1 1 98 98 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 5661 1 817 . 1 1 98 98 LEU HG H 1 1.80 0.02 . 1 . . . . . . . . 5661 1 818 . 1 1 98 98 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 5661 1 819 . 1 1 98 98 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 5661 1 820 . 1 1 98 98 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 5661 1 821 . 1 1 98 98 LEU HD21 H 1 0.97 0.02 . 2 . . . . . . . . 5661 1 822 . 1 1 98 98 LEU HD22 H 1 0.97 0.02 . 2 . . . . . . . . 5661 1 823 . 1 1 98 98 LEU HD23 H 1 0.97 0.02 . 2 . . . . . . . . 5661 1 824 . 1 1 98 98 LEU N N 15 129.38 0.02 . 1 . . . . . . . . 5661 1 825 . 1 1 99 99 ILE CA C 13 58.87 0.02 . 1 . . . . . . . . 5661 1 826 . 1 1 99 99 ILE CB C 13 42.31 0.02 . 1 . . . . . . . . 5661 1 827 . 1 1 99 99 ILE CG1 C 13 27.83 0.02 . 1 . . . . . . . . 5661 1 828 . 1 1 99 99 ILE CG2 C 13 17.15 0.02 . 1 . . . . . . . . 5661 1 829 . 1 1 99 99 ILE CD1 C 13 12.72 0.02 . 1 . . . . . . . . 5661 1 830 . 1 1 99 99 ILE H H 1 8.93 0.02 . 1 . . . . . . . . 5661 1 831 . 1 1 99 99 ILE HA H 1 5.24 0.02 . 1 . . . . . . . . 5661 1 832 . 1 1 99 99 ILE HB H 1 1.55 0.02 . 1 . . . . . . . . 5661 1 833 . 1 1 99 99 ILE HG12 H 1 1.48 0.02 . 2 . . . . . . . . 5661 1 834 . 1 1 99 99 ILE HG13 H 1 0.95 0.02 . 2 . . . . . . . . 5661 1 835 . 1 1 99 99 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 5661 1 836 . 1 1 99 99 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 5661 1 837 . 1 1 99 99 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 5661 1 838 . 1 1 99 99 ILE HD11 H 1 0.71 0.02 . 1 . . . . . . . . 5661 1 839 . 1 1 99 99 ILE HD12 H 1 0.71 0.02 . 1 . . . . . . . . 5661 1 840 . 1 1 99 99 ILE HD13 H 1 0.71 0.02 . 1 . . . . . . . . 5661 1 841 . 1 1 99 99 ILE N N 15 121.49 0.02 . 1 . . . . . . . . 5661 1 842 . 1 1 100 100 HIS CA C 13 55.05 0.02 . 1 . . . . . . . . 5661 1 843 . 1 1 100 100 HIS CB C 13 34.87 0.02 . 1 . . . . . . . . 5661 1 844 . 1 1 100 100 HIS H H 1 9.71 0.02 . 1 . . . . . . . . 5661 1 845 . 1 1 100 100 HIS HA H 1 5.14 0.02 . 1 . . . . . . . . 5661 1 846 . 1 1 100 100 HIS HB2 H 1 2.96 0.02 . 2 . . . . . . . . 5661 1 847 . 1 1 100 100 HIS HB3 H 1 2.79 0.02 . 2 . . . . . . . . 5661 1 848 . 1 1 100 100 HIS N N 15 126.25 0.02 . 1 . . . . . . . . 5661 1 849 . 1 1 101 101 VAL CA C 13 61.91 0.02 . 1 . . . . . . . . 5661 1 850 . 1 1 101 101 VAL CB C 13 33.55 0.02 . 1 . . . . . . . . 5661 1 851 . 1 1 101 101 VAL CG1 C 13 21.59 0.02 . 1 . . . . . . . . 5661 1 852 . 1 1 101 101 VAL CG2 C 13 21.50 0.02 . 1 . . . . . . . . 5661 1 853 . 1 1 101 101 VAL H H 1 8.44 0.02 . 1 . . . . . . . . 5661 1 854 . 1 1 101 101 VAL N N 15 122.65 0.02 . 1 . . . . . . . . 5661 1 855 . 1 1 102 102 PHE CA C 13 54.45 0.02 . 1 . . . . . . . . 5661 1 856 . 1 1 102 102 PHE CB C 13 40.46 0.02 . 1 . . . . . . . . 5661 1 857 . 1 1 102 102 PHE H H 1 9.27 0.02 . 1 . . . . . . . . 5661 1 858 . 1 1 102 102 PHE N N 15 124.88 0.02 . 1 . . . . . . . . 5661 1 859 . 1 1 103 103 PRO CA C 13 62.76 0.02 . 1 . . . . . . . . 5661 1 860 . 1 1 103 103 PRO CB C 13 32.29 0.02 . 1 . . . . . . . . 5661 1 861 . 1 1 103 103 PRO CG C 13 27.86 0.02 . 1 . . . . . . . . 5661 1 862 . 1 1 103 103 PRO CD C 13 51.27 0.02 . 1 . . . . . . . . 5661 1 863 . 1 1 103 103 PRO HA H 1 4.71 0.02 . 1 . . . . . . . . 5661 1 864 . 1 1 103 103 PRO HB2 H 1 2.26 0.02 . 2 . . . . . . . . 5661 1 865 . 1 1 103 103 PRO HB3 H 1 2.10 0.02 . 2 . . . . . . . . 5661 1 866 . 1 1 103 103 PRO HG2 H 1 2.39 0.02 . 2 . . . . . . . . 5661 1 867 . 1 1 103 103 PRO HG3 H 1 2.30 0.02 . 2 . . . . . . . . 5661 1 868 . 1 1 103 103 PRO HD2 H 1 4.28 0.02 . 2 . . . . . . . . 5661 1 869 . 1 1 103 103 PRO HD3 H 1 4.03 0.02 . 2 . . . . . . . . 5661 1 870 . 1 1 104 104 CYS CA C 13 58.16 0.02 . 1 . . . . . . . . 5661 1 871 . 1 1 104 104 CYS CB C 13 28.54 0.02 . 1 . . . . . . . . 5661 1 872 . 1 1 104 104 CYS H H 1 8.23 0.02 . 1 . . . . . . . . 5661 1 873 . 1 1 104 104 CYS HA H 1 4.59 0.02 . 1 . . . . . . . . 5661 1 874 . 1 1 104 104 CYS HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5661 1 875 . 1 1 104 104 CYS HB3 H 1 2.59 0.02 . 2 . . . . . . . . 5661 1 876 . 1 1 104 104 CYS N N 15 121.27 0.02 . 1 . . . . . . . . 5661 1 877 . 1 1 105 105 VAL CA C 13 59.53 0.02 . 1 . . . . . . . . 5661 1 878 . 1 1 105 105 VAL CB C 13 32.73 0.02 . 1 . . . . . . . . 5661 1 879 . 1 1 105 105 VAL H H 1 8.39 0.02 . 1 . . . . . . . . 5661 1 880 . 1 1 105 105 VAL N N 15 123.34 0.02 . 1 . . . . . . . . 5661 1 881 . 1 1 106 106 PRO CA C 13 63.05 0.02 . 1 . . . . . . . . 5661 1 882 . 1 1 106 106 PRO CB C 13 32.44 0.02 . 1 . . . . . . . . 5661 1 883 . 1 1 106 106 PRO CG C 13 27.59 0.02 . 1 . . . . . . . . 5661 1 884 . 1 1 106 106 PRO CD C 13 51.11 0.02 . 1 . . . . . . . . 5661 1 885 . 1 1 106 106 PRO HA H 1 4.38 0.02 . 1 . . . . . . . . 5661 1 886 . 1 1 106 106 PRO HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5661 1 887 . 1 1 106 106 PRO HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5661 1 888 . 1 1 106 106 PRO HG2 H 1 1.98 0.02 . 2 . . . . . . . . 5661 1 889 . 1 1 106 106 PRO HD2 H 1 3.75 0.02 . 2 . . . . . . . . 5661 1 890 . 1 1 107 107 GLU CA C 13 56.66 0.02 . 1 . . . . . . . . 5661 1 891 . 1 1 107 107 GLU CB C 13 30.30 0.02 . 1 . . . . . . . . 5661 1 892 . 1 1 107 107 GLU CG C 13 36.64 0.02 . 1 . . . . . . . . 5661 1 893 . 1 1 107 107 GLU H H 1 8.50 0.02 . 1 . . . . . . . . 5661 1 894 . 1 1 107 107 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 5661 1 895 . 1 1 107 107 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5661 1 896 . 1 1 107 107 GLU HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5661 1 897 . 1 1 107 107 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 5661 1 898 . 1 1 107 107 GLU N N 15 121.32 0.02 . 1 . . . . . . . . 5661 1 899 . 1 1 108 108 ARG CA C 13 53.53 0.02 . 1 . . . . . . . . 5661 1 900 . 1 1 108 108 ARG CB C 13 30.60 0.02 . 1 . . . . . . . . 5661 1 901 . 1 1 108 108 ARG H H 1 8.32 0.02 . 1 . . . . . . . . 5661 1 902 . 1 1 108 108 ARG N N 15 122.67 0.02 . 1 . . . . . . . . 5661 1 903 . 1 1 109 109 PRO CA C 13 63.33 0.02 . 1 . . . . . . . . 5661 1 904 . 1 1 109 109 PRO CB C 13 32.26 0.02 . 1 . . . . . . . . 5661 1 905 . 1 1 109 109 PRO CG C 13 27.83 0.02 . 1 . . . . . . . . 5661 1 906 . 1 1 109 109 PRO CD C 13 51.16 0.02 . 1 . . . . . . . . 5661 1 907 . 1 1 109 109 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 5661 1 908 . 1 1 109 109 PRO HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5661 1 909 . 1 1 109 109 PRO HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5661 1 910 . 1 1 109 109 PRO HG2 H 1 1.98 0.02 . 2 . . . . . . . . 5661 1 911 . 1 1 109 109 PRO HD2 H 1 3.82 0.02 . 2 . . . . . . . . 5661 1 912 . 1 1 109 109 PRO HD3 H 1 3.70 0.02 . 2 . . . . . . . . 5661 1 913 . 1 1 110 110 GLY CA C 13 45.03 0.02 . 1 . . . . . . . . 5661 1 914 . 1 1 110 110 GLY H H 1 8.50 0.02 . 1 . . . . . . . . 5661 1 915 . 1 1 110 110 GLY HA2 H 1 3.94 0.02 . 1 . . . . . . . . 5661 1 916 . 1 1 110 110 GLY N N 15 109.32 0.02 . 1 . . . . . . . . 5661 1 917 . 1 1 111 111 MET CA C 13 53.04 0.02 . 1 . . . . . . . . 5661 1 918 . 1 1 111 111 MET CB C 13 32.45 0.02 . 1 . . . . . . . . 5661 1 919 . 1 1 111 111 MET H H 1 8.07 0.02 . 1 . . . . . . . . 5661 1 920 . 1 1 111 111 MET N N 15 120.70 0.02 . 1 . . . . . . . . 5661 1 921 . 1 1 112 112 PRO CA C 13 62.73 0.02 . 1 . . . . . . . . 5661 1 922 . 1 1 112 112 PRO CB C 13 34.75 0.02 . 1 . . . . . . . . 5661 1 923 . 1 1 112 112 PRO CG C 13 25.26 0.02 . 1 . . . . . . . . 5661 1 924 . 1 1 112 112 PRO CD C 13 50.50 0.02 . 1 . . . . . . . . 5661 1 925 . 1 1 113 113 CYS CA C 13 58.81 0.02 . 1 . . . . . . . . 5661 1 926 . 1 1 113 113 CYS H H 1 8.87 0.02 . 1 . . . . . . . . 5661 1 927 . 1 1 113 113 CYS N N 15 120.87 0.02 . 1 . . . . . . . . 5661 1 928 . 1 1 114 114 PRO CA C 13 63.59 0.02 . 1 . . . . . . . . 5661 1 929 . 1 1 114 114 PRO CB C 13 32.29 0.02 . 1 . . . . . . . . 5661 1 930 . 1 1 114 114 PRO CG C 13 27.44 0.02 . 1 . . . . . . . . 5661 1 931 . 1 1 114 114 PRO CD C 13 51.04 0.02 . 1 . . . . . . . . 5661 1 932 . 1 1 114 114 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 5661 1 933 . 1 1 114 114 PRO HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5661 1 934 . 1 1 114 114 PRO HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5661 1 935 . 1 1 114 114 PRO HG2 H 1 2.40 0.02 . 2 . . . . . . . . 5661 1 936 . 1 1 114 114 PRO HG3 H 1 2.30 0.02 . 2 . . . . . . . . 5661 1 937 . 1 1 114 114 PRO HD2 H 1 4.29 0.02 . 2 . . . . . . . . 5661 1 938 . 1 1 114 114 PRO HD3 H 1 4.04 0.02 . 2 . . . . . . . . 5661 1 939 . 1 1 115 115 GLY CA C 13 45.05 0.02 . 1 . . . . . . . . 5661 1 940 . 1 1 115 115 GLY H H 1 8.50 0.02 . 1 . . . . . . . . 5661 1 941 . 1 1 115 115 GLY HA2 H 1 3.94 0.02 . 1 . . . . . . . . 5661 1 942 . 1 1 115 115 GLY N N 15 109.73 0.02 . 1 . . . . . . . . 5661 1 943 . 1 1 116 116 GLU CA C 13 56.21 0.02 . 1 . . . . . . . . 5661 1 944 . 1 1 116 116 GLU CB C 13 30.82 0.02 . 1 . . . . . . . . 5661 1 945 . 1 1 116 116 GLU CG C 13 36.69 0.02 . 1 . . . . . . . . 5661 1 946 . 1 1 116 116 GLU H H 1 8.16 0.02 . 1 . . . . . . . . 5661 1 947 . 1 1 116 116 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 5661 1 948 . 1 1 116 116 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5661 1 949 . 1 1 116 116 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5661 1 950 . 1 1 116 116 GLU HG2 H 1 2.20 0.02 . 2 . . . . . . . . 5661 1 951 . 1 1 116 116 GLU N N 15 120.19 0.02 . 1 . . . . . . . . 5661 1 952 . 1 1 117 117 ASP CA C 13 54.24 0.02 . 1 . . . . . . . . 5661 1 953 . 1 1 117 117 ASP CB C 13 40.84 0.02 . 1 . . . . . . . . 5661 1 954 . 1 1 117 117 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 5661 1 955 . 1 1 117 117 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 5661 1 956 . 1 1 117 117 ASP HB2 H 1 2.58 0.02 . 2 . . . . . . . . 5661 1 957 . 1 1 117 117 ASP HB3 H 1 2.49 0.02 . 2 . . . . . . . . 5661 1 958 . 1 1 117 117 ASP N N 15 121.75 0.02 . 1 . . . . . . . . 5661 1 959 . 1 1 118 118 LYS CA C 13 57.33 0.02 . 1 . . . . . . . . 5661 1 960 . 1 1 118 118 LYS CB C 13 33.84 0.02 . 1 . . . . . . . . 5661 1 961 . 1 1 118 118 LYS H H 1 7.80 0.02 . 1 . . . . . . . . 5661 1 962 . 1 1 118 118 LYS N N 15 126.20 0.02 . 1 . . . . . . . . 5661 1 stop_ save_