data_4920 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4920 _Entry.Title ; Thioredoxin fold as a Homodimerization Module in the Putative Chaperone ERp29: NMR Structures of the Domains and Experimental Model of the 51 kDa Dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-12-13 _Entry.Accession_date 2000-12-13 _Entry.Last_release_date 2001-08-08 _Entry.Original_release_date 2001-08-08 _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 Edvards Liepinsh . . . 4920 2 Michail Baryshev . . . 4920 3 Anatoly Sharipo . . . 4920 4 Magnus Ingelman-Sundberg . . . 4920 5 Gottfried Otting . . . 4920 6 Souren Mkrtchian . . . 4920 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4920 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 838 4920 '13C chemical shifts' 224 4920 '15N chemical shifts' 127 4920 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 . . 2001-08-08 2000-12-13 original author . 4920 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4920 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21345414 _Citation.DOI . _Citation.PubMed_ID 11435111 _Citation.Full_citation . _Citation.Title ; Thioredoxin fold as a Homodimerization Module in the Putative Chaperone ERp29: NMR Structures of the Domains and Experimental Model of the 51 kDa Dimer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 6 _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 457 _Citation.Page_last 471 _Citation.Year 2001 _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 Edvards Liepinsh . . . 4920 1 2 Michail Baryshev . . . 4920 1 3 Anatoly Sharipo . . . 4920 1 4 Magnus Ingelman-Sundberg . . . 4920 1 5 Gottfried Otting . . . 4920 1 6 Souren Mkrtchian . . . 4920 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Nuclear magnetic resonance spectroscopy' 4920 1 'protein structure' 4920 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ERp29 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ERp29 _Assembly.Entry_ID 4920 _Assembly.ID 1 _Assembly.Name 'ERp29 C-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 'all free' _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 4920 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 'ERp29 C-domain' 1 $ERp29 . . . native . . . . . 4920 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1G7D . . . . . 'the residue numbering used in the PDB entry 1G7D is plus 140' 4920 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ERp29 C-domain' system 4920 1 ERp29 abbreviation 4920 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ERp29 _Entity.Sf_category entity _Entity.Sf_framecode ERp29 _Entity.Entry_ID 4920 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Endoplasmic reticulum protein p29' _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 ; MRGSHHHHHHGIRMPGCLPA YDALAGQFIEASSREARQAI LKQGQDGLSGVKETDKKWAS QYLKIMGKILDQGEDFPASE LARISKLIENKMSEGKKEEL QRSLNILTAFRKKGAEKEEL ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13478 _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 PDB 1G7D . "Nmr Structure Of Erp29 C-Domain" . . . . . 88.33 106 100.00 100.00 1.58e-68 . . . . 4920 1 2 no PDB 2M66 . "Endoplasmic Reticulum Protein 29 (erp29) C-terminal Domain: 3d Protein Fold Determination From Backbone Amide Pseudocontact Shi" . . . . . 88.33 106 100.00 100.00 1.58e-68 . . . . 4920 1 3 no EMBL CAA71313 . "ERp29 precursor [Rattus norvegicus]" . . . . . 89.17 260 100.00 100.00 1.03e-67 . . . . 4920 1 4 no GB AAC15239 . "endoplasmic reticulum protein ERp29 precursor [Rattus norvegicus]" . . . . . 89.17 260 100.00 100.00 1.03e-67 . . . . 4920 1 5 no GB AAF93170 . "endoplasmic reticulum protein 29 precursor [Rattus norvegicus]" . . . . . 89.17 260 100.00 100.00 1.03e-67 . . . . 4920 1 6 no GB AAH91129 . "Endoplasmic reticulum protein 29 [Rattus norvegicus]" . . . . . 89.17 260 100.00 100.00 1.03e-67 . . . . 4920 1 7 no GB EDM13737 . "endoplasmic reticulum protein 29, isoform CRA_a [Rattus norvegicus]" . . . . . 89.17 159 100.00 100.00 1.42e-68 . . . . 4920 1 8 no GB EDM13738 . "endoplasmic reticulum protein 29, isoform CRA_b [Rattus norvegicus]" . . . . . 89.17 260 100.00 100.00 1.03e-67 . . . . 4920 1 9 no REF NP_446413 . "endoplasmic reticulum resident protein 29 precursor [Rattus norvegicus]" . . . . . 89.17 260 100.00 100.00 1.03e-67 . . . . 4920 1 10 no SP P52555 . "RecName: Full=Endoplasmic reticulum resident protein 29; Short=ERp29; AltName: Full=Endoplasmic reticulum resident protein 31; " . . . . . 89.17 260 100.00 100.00 1.03e-67 . . . . 4920 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Endoplasmic reticulum protein p29' common 4920 1 ERp29 abbreviation 4920 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 . MET . 4920 1 2 . ARG . 4920 1 3 . GLY . 4920 1 4 . SER . 4920 1 5 . HIS . 4920 1 6 . HIS . 4920 1 7 . HIS . 4920 1 8 . HIS . 4920 1 9 . HIS . 4920 1 10 . HIS . 4920 1 11 . GLY . 4920 1 12 . ILE . 4920 1 13 . ARG . 4920 1 14 . MET . 4920 1 15 . PRO . 4920 1 16 . GLY . 4920 1 17 . CYS . 4920 1 18 . LEU . 4920 1 19 . PRO . 4920 1 20 . ALA . 4920 1 21 . TYR . 4920 1 22 . ASP . 4920 1 23 . ALA . 4920 1 24 . LEU . 4920 1 25 . ALA . 4920 1 26 . GLY . 4920 1 27 . GLN . 4920 1 28 . PHE . 4920 1 29 . ILE . 4920 1 30 . GLU . 4920 1 31 . ALA . 4920 1 32 . SER . 4920 1 33 . SER . 4920 1 34 . ARG . 4920 1 35 . GLU . 4920 1 36 . ALA . 4920 1 37 . ARG . 4920 1 38 . GLN . 4920 1 39 . ALA . 4920 1 40 . ILE . 4920 1 41 . LEU . 4920 1 42 . LYS . 4920 1 43 . GLN . 4920 1 44 . GLY . 4920 1 45 . GLN . 4920 1 46 . ASP . 4920 1 47 . GLY . 4920 1 48 . LEU . 4920 1 49 . SER . 4920 1 50 . GLY . 4920 1 51 . VAL . 4920 1 52 . LYS . 4920 1 53 . GLU . 4920 1 54 . THR . 4920 1 55 . ASP . 4920 1 56 . LYS . 4920 1 57 . LYS . 4920 1 58 . TRP . 4920 1 59 . ALA . 4920 1 60 . SER . 4920 1 61 . GLN . 4920 1 62 . TYR . 4920 1 63 . LEU . 4920 1 64 . LYS . 4920 1 65 . ILE . 4920 1 66 . MET . 4920 1 67 . GLY . 4920 1 68 . LYS . 4920 1 69 . ILE . 4920 1 70 . LEU . 4920 1 71 . ASP . 4920 1 72 . GLN . 4920 1 73 . GLY . 4920 1 74 . GLU . 4920 1 75 . ASP . 4920 1 76 . PHE . 4920 1 77 . PRO . 4920 1 78 . ALA . 4920 1 79 . SER . 4920 1 80 . GLU . 4920 1 81 . LEU . 4920 1 82 . ALA . 4920 1 83 . ARG . 4920 1 84 . ILE . 4920 1 85 . SER . 4920 1 86 . LYS . 4920 1 87 . LEU . 4920 1 88 . ILE . 4920 1 89 . GLU . 4920 1 90 . ASN . 4920 1 91 . LYS . 4920 1 92 . MET . 4920 1 93 . SER . 4920 1 94 . GLU . 4920 1 95 . GLY . 4920 1 96 . LYS . 4920 1 97 . LYS . 4920 1 98 . GLU . 4920 1 99 . GLU . 4920 1 100 . LEU . 4920 1 101 . GLN . 4920 1 102 . ARG . 4920 1 103 . SER . 4920 1 104 . LEU . 4920 1 105 . ASN . 4920 1 106 . ILE . 4920 1 107 . LEU . 4920 1 108 . THR . 4920 1 109 . ALA . 4920 1 110 . PHE . 4920 1 111 . ARG . 4920 1 112 . LYS . 4920 1 113 . LYS . 4920 1 114 . GLY . 4920 1 115 . ALA . 4920 1 116 . GLU . 4920 1 117 . LYS . 4920 1 118 . GLU . 4920 1 119 . GLU . 4920 1 120 . LEU . 4920 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4920 1 . ARG 2 2 4920 1 . GLY 3 3 4920 1 . SER 4 4 4920 1 . HIS 5 5 4920 1 . HIS 6 6 4920 1 . HIS 7 7 4920 1 . HIS 8 8 4920 1 . HIS 9 9 4920 1 . HIS 10 10 4920 1 . GLY 11 11 4920 1 . ILE 12 12 4920 1 . ARG 13 13 4920 1 . MET 14 14 4920 1 . PRO 15 15 4920 1 . GLY 16 16 4920 1 . CYS 17 17 4920 1 . LEU 18 18 4920 1 . PRO 19 19 4920 1 . ALA 20 20 4920 1 . TYR 21 21 4920 1 . ASP 22 22 4920 1 . ALA 23 23 4920 1 . LEU 24 24 4920 1 . ALA 25 25 4920 1 . GLY 26 26 4920 1 . GLN 27 27 4920 1 . PHE 28 28 4920 1 . ILE 29 29 4920 1 . GLU 30 30 4920 1 . ALA 31 31 4920 1 . SER 32 32 4920 1 . SER 33 33 4920 1 . ARG 34 34 4920 1 . GLU 35 35 4920 1 . ALA 36 36 4920 1 . ARG 37 37 4920 1 . GLN 38 38 4920 1 . ALA 39 39 4920 1 . ILE 40 40 4920 1 . LEU 41 41 4920 1 . LYS 42 42 4920 1 . GLN 43 43 4920 1 . GLY 44 44 4920 1 . GLN 45 45 4920 1 . ASP 46 46 4920 1 . GLY 47 47 4920 1 . LEU 48 48 4920 1 . SER 49 49 4920 1 . GLY 50 50 4920 1 . VAL 51 51 4920 1 . LYS 52 52 4920 1 . GLU 53 53 4920 1 . THR 54 54 4920 1 . ASP 55 55 4920 1 . LYS 56 56 4920 1 . LYS 57 57 4920 1 . TRP 58 58 4920 1 . ALA 59 59 4920 1 . SER 60 60 4920 1 . GLN 61 61 4920 1 . TYR 62 62 4920 1 . LEU 63 63 4920 1 . LYS 64 64 4920 1 . ILE 65 65 4920 1 . MET 66 66 4920 1 . GLY 67 67 4920 1 . LYS 68 68 4920 1 . ILE 69 69 4920 1 . LEU 70 70 4920 1 . ASP 71 71 4920 1 . GLN 72 72 4920 1 . GLY 73 73 4920 1 . GLU 74 74 4920 1 . ASP 75 75 4920 1 . PHE 76 76 4920 1 . PRO 77 77 4920 1 . ALA 78 78 4920 1 . SER 79 79 4920 1 . GLU 80 80 4920 1 . LEU 81 81 4920 1 . ALA 82 82 4920 1 . ARG 83 83 4920 1 . ILE 84 84 4920 1 . SER 85 85 4920 1 . LYS 86 86 4920 1 . LEU 87 87 4920 1 . ILE 88 88 4920 1 . GLU 89 89 4920 1 . ASN 90 90 4920 1 . LYS 91 91 4920 1 . MET 92 92 4920 1 . SER 93 93 4920 1 . GLU 94 94 4920 1 . GLY 95 95 4920 1 . LYS 96 96 4920 1 . LYS 97 97 4920 1 . GLU 98 98 4920 1 . GLU 99 99 4920 1 . LEU 100 100 4920 1 . GLN 101 101 4920 1 . ARG 102 102 4920 1 . SER 103 103 4920 1 . LEU 104 104 4920 1 . ASN 105 105 4920 1 . ILE 106 106 4920 1 . LEU 107 107 4920 1 . THR 108 108 4920 1 . ALA 109 109 4920 1 . PHE 110 110 4920 1 . ARG 111 111 4920 1 . LYS 112 112 4920 1 . LYS 113 113 4920 1 . GLY 114 114 4920 1 . ALA 115 115 4920 1 . GLU 116 116 4920 1 . LYS 117 117 4920 1 . GLU 118 118 4920 1 . GLU 119 119 4920 1 . LEU 120 120 4920 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 4920 _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 $ERp29 . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . liver . . . . . . . . 'endoplasmic reticulum' . . . . . . . . 4920 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 4920 _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 $ERp29 . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli JM109 . . . . . . . . . . . . plasmid . . pQE30 . . . . . . 4920 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4920 _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 'Endoplasmic reticulum protein p29' '[U-15N; U-13C]' . . 1 $ERp29 . . 2 . . mM . . . . 4920 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4920 _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 'Endoplasmic reticulum protein p29' . . . 1 $ERp29 . . 2 . . mM . . . . 4920 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4920 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.9 0.1 n/a 4920 1 temperature 308 1 K 4920 1 'ionic strength' 0.15 .02 M 4920 1 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 4920 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4920 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4920 _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 DRX . 600 . . . 4920 1 2 NMR_spectrometer_2 Varian UnityPlus . 800 . . . 4920 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 4920 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4920 1 2 '2D 1H-1H COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4920 1 3 '2D 1H-1H CLEAN TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4920 1 4 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4920 1 5 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4920 1 6 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4920 1 7 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4920 1 8 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4920 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 4920 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H NOESY' _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 . 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 4920 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H COSY' _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 . 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 4920 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H CLEAN 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 . 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 4920 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 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 . 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 4920 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _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 . 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 4920 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 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 . 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 4920 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 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 . 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 4920 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 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 . 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 4920 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4920 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4920 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4920 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 4920 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_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 $sample_1 . 4920 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.500 0.100 . 1 . . . . . . . . 4920 1 2 . 1 1 1 1 MET HA H 1 4.001 0.020 . 1 . . . . . . . . 4920 1 3 . 1 1 1 1 MET HB2 H 1 2.133 0.020 . 2 . . . . . . . . 4920 1 4 . 1 1 1 1 MET HB3 H 1 2.195 0.020 . 2 . . . . . . . . 4920 1 5 . 1 1 1 1 MET HG2 H 1 2.524 0.020 . 2 . . . . . . . . 4920 1 6 . 1 1 1 1 MET HG3 H 1 2.577 0.020 . 2 . . . . . . . . 4920 1 7 . 1 1 1 1 MET HE1 H 1 2.150 0.020 . 1 . . . . . . . . 4920 1 8 . 1 1 1 1 MET HE2 H 1 2.150 0.020 . 1 . . . . . . . . 4920 1 9 . 1 1 1 1 MET HE3 H 1 2.150 0.020 . 1 . . . . . . . . 4920 1 10 . 1 1 1 1 MET C C 13 173.600 0.100 . 1 . . . . . . . . 4920 1 11 . 1 1 2 2 ARG N N 15 119.100 0.100 . 1 . . . . . . . . 4920 1 12 . 1 1 2 2 ARG H H 1 7.207 0.020 . 1 . . . . . . . . 4920 1 13 . 1 1 2 2 ARG CA C 13 56.200 0.100 . 1 . . . . . . . . 4920 1 14 . 1 1 2 2 ARG HA H 1 4.453 0.020 . 1 . . . . . . . . 4920 1 15 . 1 1 2 2 ARG HB2 H 1 1.807 0.020 . 2 . . . . . . . . 4920 1 16 . 1 1 2 2 ARG HB3 H 1 1.866 0.020 . 2 . . . . . . . . 4920 1 17 . 1 1 2 2 ARG HG2 H 1 1.650 0.020 . 2 . . . . . . . . 4920 1 18 . 1 1 2 2 ARG HG3 H 1 1.675 0.020 . 2 . . . . . . . . 4920 1 19 . 1 1 2 2 ARG HD2 H 1 3.206 0.020 . 1 . . . . . . . . 4920 1 20 . 1 1 2 2 ARG HD3 H 1 3.206 0.020 . 1 . . . . . . . . 4920 1 21 . 1 1 2 2 ARG C C 13 177.300 0.100 . 1 . . . . . . . . 4920 1 22 . 1 1 3 3 GLY N N 15 111.300 0.100 . 1 . . . . . . . . 4920 1 23 . 1 1 3 3 GLY H H 1 8.546 0.020 . 1 . . . . . . . . 4920 1 24 . 1 1 3 3 GLY CA C 13 44.600 0.100 . 1 . . . . . . . . 4920 1 25 . 1 1 3 3 GLY HA2 H 1 3.956 0.020 . 1 . . . . . . . . 4920 1 26 . 1 1 3 3 GLY HA3 H 1 3.956 0.020 . 1 . . . . . . . . 4920 1 27 . 1 1 3 3 GLY C C 13 173.900 0.100 . 1 . . . . . . . . 4920 1 28 . 1 1 4 4 SER N N 15 115.300 0.100 . 1 . . . . . . . . 4920 1 29 . 1 1 4 4 SER H H 1 8.175 0.020 . 1 . . . . . . . . 4920 1 30 . 1 1 4 4 SER CA C 13 56.800 0.100 . 1 . . . . . . . . 4920 1 31 . 1 1 4 4 SER HA H 1 4.397 0.020 . 1 . . . . . . . . 4920 1 32 . 1 1 4 4 SER HB2 H 1 3.775 0.020 . 1 . . . . . . . . 4920 1 33 . 1 1 4 4 SER HB3 H 1 3.738 0.020 . 1 . . . . . . . . 4920 1 34 . 1 1 10 10 HIS HA H 1 4.661 0.020 . 1 . . . . . . . . 4920 1 35 . 1 1 10 10 HIS HB2 H 1 3.126 0.020 . 2 . . . . . . . . 4920 1 36 . 1 1 10 10 HIS HB3 H 1 3.224 0.020 . 2 . . . . . . . . 4920 1 37 . 1 1 10 10 HIS HD1 H 1 7.217 0.020 . 1 . . . . . . . . 4920 1 38 . 1 1 10 10 HIS HE1 H 1 8.427 0.020 . 1 . . . . . . . . 4920 1 39 . 1 1 10 10 HIS C C 13 176.100 0.100 . 1 . . . . . . . . 4920 1 40 . 1 1 11 11 GLY N N 15 111.000 0.100 . 1 . . . . . . . . 4920 1 41 . 1 1 11 11 GLY H H 1 8.472 0.020 . 1 . . . . . . . . 4920 1 42 . 1 1 11 11 GLY CA C 13 44.800 0.100 . 1 . . . . . . . . 4920 1 43 . 1 1 11 11 GLY HA2 H 1 3.881 0.020 . 2 . . . . . . . . 4920 1 44 . 1 1 11 11 GLY HA3 H 1 3.971 0.020 . 2 . . . . . . . . 4920 1 45 . 1 1 11 11 GLY C C 13 173.700 0.100 . 1 . . . . . . . . 4920 1 46 . 1 1 12 12 ILE N N 15 120.300 0.100 . 1 . . . . . . . . 4920 1 47 . 1 1 12 12 ILE H H 1 8.002 0.020 . 1 . . . . . . . . 4920 1 48 . 1 1 12 12 ILE CA C 13 60.200 0.100 . 1 . . . . . . . . 4920 1 49 . 1 1 12 12 ILE HA H 1 4.151 0.020 . 1 . . . . . . . . 4920 1 50 . 1 1 12 12 ILE HB H 1 1.801 0.020 . 1 . . . . . . . . 4920 1 51 . 1 1 12 12 ILE HG21 H 1 0.858 0.020 . 1 . . . . . . . . 4920 1 52 . 1 1 12 12 ILE HG22 H 1 0.858 0.020 . 1 . . . . . . . . 4920 1 53 . 1 1 12 12 ILE HG23 H 1 0.858 0.020 . 1 . . . . . . . . 4920 1 54 . 1 1 12 12 ILE HG12 H 1 1.126 0.020 . 2 . . . . . . . . 4920 1 55 . 1 1 12 12 ILE HG13 H 1 1.381 0.020 . 2 . . . . . . . . 4920 1 56 . 1 1 12 12 ILE HD11 H 1 0.816 0.020 . 1 . . . . . . . . 4920 1 57 . 1 1 12 12 ILE HD12 H 1 0.816 0.020 . 1 . . . . . . . . 4920 1 58 . 1 1 12 12 ILE HD13 H 1 0.816 0.020 . 1 . . . . . . . . 4920 1 59 . 1 1 12 12 ILE C C 13 175.900 0.100 . 1 . . . . . . . . 4920 1 60 . 1 1 13 13 ARG N N 15 126.000 0.100 . 1 . . . . . . . . 4920 1 61 . 1 1 13 13 ARG H H 1 8.438 0.020 . 1 . . . . . . . . 4920 1 62 . 1 1 13 13 ARG CA C 13 55.800 0.100 . 1 . . . . . . . . 4920 1 63 . 1 1 13 13 ARG HA H 1 4.275 0.020 . 1 . . . . . . . . 4920 1 64 . 1 1 13 13 ARG HB2 H 1 1.723 0.020 . 2 . . . . . . . . 4920 1 65 . 1 1 13 13 ARG HB3 H 1 1.772 0.020 . 2 . . . . . . . . 4920 1 66 . 1 1 13 13 ARG HG2 H 1 1.529 0.020 . 2 . . . . . . . . 4920 1 67 . 1 1 13 13 ARG HG3 H 1 1.589 0.020 . 2 . . . . . . . . 4920 1 68 . 1 1 13 13 ARG HD2 H 1 3.152 0.020 . 1 . . . . . . . . 4920 1 69 . 1 1 13 13 ARG HD3 H 1 3.152 0.020 . 1 . . . . . . . . 4920 1 70 . 1 1 13 13 ARG NE N 15 84.900 0.100 . 1 . . . . . . . . 4920 1 71 . 1 1 13 13 ARG HE H 1 7.300 0.020 . 1 . . . . . . . . 4920 1 72 . 1 1 13 13 ARG C C 13 173.800 0.100 . 1 . . . . . . . . 4920 1 73 . 1 1 14 14 MET N N 15 124.000 0.100 . 1 . . . . . . . . 4920 1 74 . 1 1 14 14 MET H H 1 8.325 0.020 . 1 . . . . . . . . 4920 1 75 . 1 1 14 14 MET CA C 13 57.500 0.100 . 1 . . . . . . . . 4920 1 76 . 1 1 14 14 MET HA H 1 4.730 0.020 . 1 . . . . . . . . 4920 1 77 . 1 1 14 14 MET HB3 H 1 1.910 0.020 . 1 . . . . . . . . 4920 1 78 . 1 1 14 14 MET HB2 H 1 1.963 0.020 . 1 . . . . . . . . 4920 1 79 . 1 1 14 14 MET HG2 H 1 2.439 0.020 . 2 . . . . . . . . 4920 1 80 . 1 1 14 14 MET HG3 H 1 2.538 0.020 . 2 . . . . . . . . 4920 1 81 . 1 1 14 14 MET HE1 H 1 2.020 0.020 . 1 . . . . . . . . 4920 1 82 . 1 1 14 14 MET HE2 H 1 2.020 0.020 . 1 . . . . . . . . 4920 1 83 . 1 1 14 14 MET HE3 H 1 2.020 0.020 . 1 . . . . . . . . 4920 1 84 . 1 1 15 15 PRO CA C 13 63.200 0.100 . 1 . . . . . . . . 4920 1 85 . 1 1 15 15 PRO HA H 1 4.201 0.020 . 1 . . . . . . . . 4920 1 86 . 1 1 15 15 PRO HB2 H 1 1.677 0.020 . 1 . . . . . . . . 4920 1 87 . 1 1 15 15 PRO HB3 H 1 2.166 0.020 . 1 . . . . . . . . 4920 1 88 . 1 1 15 15 PRO HG3 H 1 1.941 0.020 . 2 . . . . . . . . 4920 1 89 . 1 1 15 15 PRO HG2 H 1 1.999 0.020 . 2 . . . . . . . . 4920 1 90 . 1 1 15 15 PRO HD2 H 1 3.538 0.020 . 2 . . . . . . . . 4920 1 91 . 1 1 15 15 PRO HD3 H 1 3.818 0.020 . 2 . . . . . . . . 4920 1 92 . 1 1 15 15 PRO C C 13 176.600 0.100 . 1 . . . . . . . . 4920 1 93 . 1 1 16 16 GLY N N 15 111.100 0.100 . 1 . . . . . . . . 4920 1 94 . 1 1 16 16 GLY H H 1 8.194 0.020 . 1 . . . . . . . . 4920 1 95 . 1 1 16 16 GLY CA C 13 43.800 0.100 . 1 . . . . . . . . 4920 1 96 . 1 1 16 16 GLY HA2 H 1 2.823 0.020 . 2 . . . . . . . . 4920 1 97 . 1 1 16 16 GLY HA3 H 1 3.809 0.020 . 2 . . . . . . . . 4920 1 98 . 1 1 16 16 GLY C C 13 179.200 0.100 . 1 . . . . . . . . 4920 1 99 . 1 1 17 17 CYS N N 15 115.600 0.100 . 1 . . . . . . . . 4920 1 100 . 1 1 17 17 CYS H H 1 7.760 0.020 . 1 . . . . . . . . 4920 1 101 . 1 1 17 17 CYS CA C 13 58.600 0.100 . 1 . . . . . . . . 4920 1 102 . 1 1 17 17 CYS HA H 1 4.751 0.020 . 1 . . . . . . . . 4920 1 103 . 1 1 17 17 CYS HB2 H 1 2.823 0.020 . 1 . . . . . . . . 4920 1 104 . 1 1 17 17 CYS HB3 H 1 3.343 0.020 . 1 . . . . . . . . 4920 1 105 . 1 1 17 17 CYS C C 13 178.200 0.100 . 1 . . . . . . . . 4920 1 106 . 1 1 18 18 LEU N N 15 122.700 0.100 . 1 . . . . . . . . 4920 1 107 . 1 1 18 18 LEU H H 1 8.150 0.020 . 1 . . . . . . . . 4920 1 108 . 1 1 18 18 LEU CA C 13 50.700 0.100 . 1 . . . . . . . . 4920 1 109 . 1 1 18 18 LEU HA H 1 5.095 0.020 . 1 . . . . . . . . 4920 1 110 . 1 1 18 18 LEU HB2 H 1 1.735 0.020 . 1 . . . . . . . . 4920 1 111 . 1 1 18 18 LEU HB3 H 1 1.807 0.020 . 1 . . . . . . . . 4920 1 112 . 1 1 18 18 LEU HG H 1 1.891 0.020 . 1 . . . . . . . . 4920 1 113 . 1 1 18 18 LEU HD11 H 1 1.034 0.020 . 1 . . . . . . . . 4920 1 114 . 1 1 18 18 LEU HD12 H 1 1.034 0.020 . 1 . . . . . . . . 4920 1 115 . 1 1 18 18 LEU HD13 H 1 1.034 0.020 . 1 . . . . . . . . 4920 1 116 . 1 1 18 18 LEU HD21 H 1 1.034 0.020 . 1 . . . . . . . . 4920 1 117 . 1 1 18 18 LEU HD22 H 1 1.034 0.020 . 1 . . . . . . . . 4920 1 118 . 1 1 18 18 LEU HD23 H 1 1.034 0.020 . 1 . . . . . . . . 4920 1 119 . 1 1 19 19 PRO CA C 13 65.200 0.100 . 1 . . . . . . . . 4920 1 120 . 1 1 19 19 PRO HA H 1 4.349 0.020 . 1 . . . . . . . . 4920 1 121 . 1 1 19 19 PRO HB2 H 1 2.046 0.020 . 1 . . . . . . . . 4920 1 122 . 1 1 19 19 PRO HB3 H 1 2.419 0.020 . 1 . . . . . . . . 4920 1 123 . 1 1 19 19 PRO HG2 H 1 2.035 0.020 . 1 . . . . . . . . 4920 1 124 . 1 1 19 19 PRO HG3 H 1 2.208 0.020 . 1 . . . . . . . . 4920 1 125 . 1 1 19 19 PRO HD2 H 1 3.888 0.020 . 2 . . . . . . . . 4920 1 126 . 1 1 19 19 PRO HD3 H 1 3.970 0.020 . 2 . . . . . . . . 4920 1 127 . 1 1 19 19 PRO C C 13 179.000 0.100 . 1 . . . . . . . . 4920 1 128 . 1 1 20 20 ALA N N 15 119.400 0.100 . 1 . . . . . . . . 4920 1 129 . 1 1 20 20 ALA H H 1 9.095 0.020 . 1 . . . . . . . . 4920 1 130 . 1 1 20 20 ALA CA C 13 55.300 0.100 . 1 . . . . . . . . 4920 1 131 . 1 1 20 20 ALA HA H 1 4.076 0.020 . 1 . . . . . . . . 4920 1 132 . 1 1 20 20 ALA HB1 H 1 1.296 0.020 . 1 . . . . . . . . 4920 1 133 . 1 1 20 20 ALA HB2 H 1 1.296 0.020 . 1 . . . . . . . . 4920 1 134 . 1 1 20 20 ALA HB3 H 1 1.296 0.020 . 1 . . . . . . . . 4920 1 135 . 1 1 20 20 ALA C C 13 180.800 0.100 . 1 . . . . . . . . 4920 1 136 . 1 1 21 21 TYR N N 15 117.000 0.100 . 1 . . . . . . . . 4920 1 137 . 1 1 21 21 TYR H H 1 7.100 0.020 . 1 . . . . . . . . 4920 1 138 . 1 1 21 21 TYR CA C 13 61.300 0.100 . 1 . . . . . . . . 4920 1 139 . 1 1 21 21 TYR HA H 1 3.617 0.020 . 1 . . . . . . . . 4920 1 140 . 1 1 21 21 TYR HB3 H 1 1.193 0.020 . 1 . . . . . . . . 4920 1 141 . 1 1 21 21 TYR HB2 H 1 1.906 0.020 . 1 . . . . . . . . 4920 1 142 . 1 1 21 21 TYR HD1 H 1 6.725 0.020 . 1 . . . . . . . . 4920 1 143 . 1 1 21 21 TYR HD2 H 1 6.725 0.020 . 1 . . . . . . . . 4920 1 144 . 1 1 21 21 TYR HE1 H 1 7.460 0.020 . 1 . . . . . . . . 4920 1 145 . 1 1 21 21 TYR HE2 H 1 7.460 0.020 . 1 . . . . . . . . 4920 1 146 . 1 1 21 21 TYR C C 13 176.900 0.100 . 1 . . . . . . . . 4920 1 147 . 1 1 22 22 ASP N N 15 123.700 0.100 . 1 . . . . . . . . 4920 1 148 . 1 1 22 22 ASP H H 1 8.669 0.020 . 1 . . . . . . . . 4920 1 149 . 1 1 22 22 ASP CA C 13 57.400 0.100 . 1 . . . . . . . . 4920 1 150 . 1 1 22 22 ASP HA H 1 4.392 0.020 . 1 . . . . . . . . 4920 1 151 . 1 1 22 22 ASP HB3 H 1 2.698 0.020 . 1 . . . . . . . . 4920 1 152 . 1 1 22 22 ASP HB2 H 1 2.755 0.020 . 1 . . . . . . . . 4920 1 153 . 1 1 22 22 ASP C C 13 176.400 0.100 . 1 . . . . . . . . 4920 1 154 . 1 1 23 23 ALA N N 15 122.000 0.100 . 1 . . . . . . . . 4920 1 155 . 1 1 23 23 ALA H H 1 7.630 0.020 . 1 . . . . . . . . 4920 1 156 . 1 1 23 23 ALA CA C 13 54.100 0.100 . 1 . . . . . . . . 4920 1 157 . 1 1 23 23 ALA HA H 1 4.155 0.020 . 1 . . . . . . . . 4920 1 158 . 1 1 23 23 ALA HB1 H 1 1.393 0.020 . 1 . . . . . . . . 4920 1 159 . 1 1 23 23 ALA HB2 H 1 1.393 0.020 . 1 . . . . . . . . 4920 1 160 . 1 1 23 23 ALA HB3 H 1 1.393 0.020 . 1 . . . . . . . . 4920 1 161 . 1 1 23 23 ALA C C 13 180.900 0.100 . 1 . . . . . . . . 4920 1 162 . 1 1 24 24 LEU N N 15 118.800 0.100 . 1 . . . . . . . . 4920 1 163 . 1 1 24 24 LEU H H 1 7.142 0.020 . 1 . . . . . . . . 4920 1 164 . 1 1 24 24 LEU CA C 13 56.900 0.100 . 1 . . . . . . . . 4920 1 165 . 1 1 24 24 LEU HA H 1 3.989 0.020 . 1 . . . . . . . . 4920 1 166 . 1 1 24 24 LEU HB2 H 1 1.188 0.020 . 1 . . . . . . . . 4920 1 167 . 1 1 24 24 LEU HB3 H 1 1.586 0.020 . 1 . . . . . . . . 4920 1 168 . 1 1 24 24 LEU HG H 1 1.625 0.020 . 1 . . . . . . . . 4920 1 169 . 1 1 24 24 LEU HD11 H 1 0.356 0.020 . 1 . . . . . . . . 4920 1 170 . 1 1 24 24 LEU HD12 H 1 0.356 0.020 . 1 . . . . . . . . 4920 1 171 . 1 1 24 24 LEU HD13 H 1 0.356 0.020 . 1 . . . . . . . . 4920 1 172 . 1 1 24 24 LEU HD21 H 1 0.737 0.020 . 1 . . . . . . . . 4920 1 173 . 1 1 24 24 LEU HD22 H 1 0.737 0.020 . 1 . . . . . . . . 4920 1 174 . 1 1 24 24 LEU HD23 H 1 0.737 0.020 . 1 . . . . . . . . 4920 1 175 . 1 1 24 24 LEU C C 13 178.600 0.100 . 1 . . . . . . . . 4920 1 176 . 1 1 25 25 ALA N N 15 122.200 0.100 . 1 . . . . . . . . 4920 1 177 . 1 1 25 25 ALA H H 1 8.638 0.020 . 1 . . . . . . . . 4920 1 178 . 1 1 25 25 ALA CA C 13 55.000 0.100 . 1 . . . . . . . . 4920 1 179 . 1 1 25 25 ALA HA H 1 3.567 0.020 . 1 . . . . . . . . 4920 1 180 . 1 1 25 25 ALA HB1 H 1 0.530 0.020 . 1 . . . . . . . . 4920 1 181 . 1 1 25 25 ALA HB2 H 1 0.530 0.020 . 1 . . . . . . . . 4920 1 182 . 1 1 25 25 ALA HB3 H 1 0.530 0.020 . 1 . . . . . . . . 4920 1 183 . 1 1 25 25 ALA C C 13 179.000 0.100 . 1 . . . . . . . . 4920 1 184 . 1 1 26 26 GLY N N 15 103.300 0.100 . 1 . . . . . . . . 4920 1 185 . 1 1 26 26 GLY H H 1 7.668 0.020 . 1 . . . . . . . . 4920 1 186 . 1 1 26 26 GLY CA C 13 46.400 0.100 . 1 . . . . . . . . 4920 1 187 . 1 1 26 26 GLY HA2 H 1 3.910 0.020 . 1 . . . . . . . . 4920 1 188 . 1 1 26 26 GLY HA3 H 1 3.910 0.020 . 1 . . . . . . . . 4920 1 189 . 1 1 26 26 GLY C C 13 176.800 0.100 . 1 . . . . . . . . 4920 1 190 . 1 1 27 27 GLN N N 15 120.600 0.100 . 1 . . . . . . . . 4920 1 191 . 1 1 27 27 GLN H H 1 7.754 0.020 . 1 . . . . . . . . 4920 1 192 . 1 1 27 27 GLN CA C 13 57.900 0.100 . 1 . . . . . . . . 4920 1 193 . 1 1 27 27 GLN HA H 1 4.053 0.020 . 1 . . . . . . . . 4920 1 194 . 1 1 27 27 GLN HB3 H 1 2.139 0.020 . 1 . . . . . . . . 4920 1 195 . 1 1 27 27 GLN HB2 H 1 2.256 0.020 . 1 . . . . . . . . 4920 1 196 . 1 1 27 27 GLN HG2 H 1 2.399 0.020 . 2 . . . . . . . . 4920 1 197 . 1 1 27 27 GLN HG3 H 1 2.521 0.020 . 2 . . . . . . . . 4920 1 198 . 1 1 27 27 GLN NE2 N 15 109.800 0.100 . 1 . . . . . . . . 4920 1 199 . 1 1 27 27 GLN HE21 H 1 7.152 0.020 . 1 . . . . . . . . 4920 1 200 . 1 1 27 27 GLN HE22 H 1 6.687 0.020 . 1 . . . . . . . . 4920 1 201 . 1 1 27 27 GLN C C 13 178.800 0.100 . 1 . . . . . . . . 4920 1 202 . 1 1 28 28 PHE N N 15 121.000 0.100 . 1 . . . . . . . . 4920 1 203 . 1 1 28 28 PHE H H 1 9.125 0.020 . 1 . . . . . . . . 4920 1 204 . 1 1 28 28 PHE CA C 13 61.600 0.100 . 1 . . . . . . . . 4920 1 205 . 1 1 28 28 PHE HA H 1 3.982 0.020 . 1 . . . . . . . . 4920 1 206 . 1 1 28 28 PHE HB2 H 1 3.425 0.020 . 1 . . . . . . . . 4920 1 207 . 1 1 28 28 PHE HB3 H 1 3.756 0.020 . 1 . . . . . . . . 4920 1 208 . 1 1 28 28 PHE HD1 H 1 7.378 0.020 . 1 . . . . . . . . 4920 1 209 . 1 1 28 28 PHE HD2 H 1 7.378 0.020 . 1 . . . . . . . . 4920 1 210 . 1 1 28 28 PHE HE1 H 1 7.427 0.020 . 1 . . . . . . . . 4920 1 211 . 1 1 28 28 PHE HE2 H 1 7.427 0.020 . 1 . . . . . . . . 4920 1 212 . 1 1 28 28 PHE HZ H 1 7.511 0.020 . 1 . . . . . . . . 4920 1 213 . 1 1 28 28 PHE C C 13 177.400 0.100 . 1 . . . . . . . . 4920 1 214 . 1 1 29 29 ILE N N 15 117.800 0.100 . 1 . . . . . . . . 4920 1 215 . 1 1 29 29 ILE H H 1 8.534 0.020 . 1 . . . . . . . . 4920 1 216 . 1 1 29 29 ILE CA C 13 60.700 0.100 . 1 . . . . . . . . 4920 1 217 . 1 1 29 29 ILE HA H 1 4.254 0.020 . 1 . . . . . . . . 4920 1 218 . 1 1 29 29 ILE HB H 1 2.281 0.020 . 1 . . . . . . . . 4920 1 219 . 1 1 29 29 ILE HG21 H 1 1.193 0.020 . 1 . . . . . . . . 4920 1 220 . 1 1 29 29 ILE HG22 H 1 1.193 0.020 . 1 . . . . . . . . 4920 1 221 . 1 1 29 29 ILE HG23 H 1 1.193 0.020 . 1 . . . . . . . . 4920 1 222 . 1 1 29 29 ILE HG12 H 1 1.666 0.020 . 2 . . . . . . . . 4920 1 223 . 1 1 29 29 ILE HG13 H 1 2.055 0.020 . 2 . . . . . . . . 4920 1 224 . 1 1 29 29 ILE HD11 H 1 1.215 0.020 . 1 . . . . . . . . 4920 1 225 . 1 1 29 29 ILE HD12 H 1 1.215 0.020 . 1 . . . . . . . . 4920 1 226 . 1 1 29 29 ILE HD13 H 1 1.215 0.020 . 1 . . . . . . . . 4920 1 227 . 1 1 29 29 ILE C C 13 177.500 0.100 . 1 . . . . . . . . 4920 1 228 . 1 1 30 30 GLU N N 15 118.700 0.100 . 1 . . . . . . . . 4920 1 229 . 1 1 30 30 GLU H H 1 7.538 0.020 . 1 . . . . . . . . 4920 1 230 . 1 1 30 30 GLU CA C 13 56.300 0.100 . 1 . . . . . . . . 4920 1 231 . 1 1 30 30 GLU HA H 1 4.174 0.020 . 1 . . . . . . . . 4920 1 232 . 1 1 30 30 GLU HB2 H 1 2.010 0.020 . 1 . . . . . . . . 4920 1 233 . 1 1 30 30 GLU HB3 H 1 2.160 0.020 . 1 . . . . . . . . 4920 1 234 . 1 1 30 30 GLU HG2 H 1 2.433 0.020 . 2 . . . . . . . . 4920 1 235 . 1 1 30 30 GLU HG3 H 1 2.481 0.020 . 2 . . . . . . . . 4920 1 236 . 1 1 30 30 GLU C C 13 176.600 0.100 . 1 . . . . . . . . 4920 1 237 . 1 1 31 31 ALA N N 15 123.500 0.100 . 1 . . . . . . . . 4920 1 238 . 1 1 31 31 ALA H H 1 7.304 0.020 . 1 . . . . . . . . 4920 1 239 . 1 1 31 31 ALA CA C 13 52.000 0.100 . 1 . . . . . . . . 4920 1 240 . 1 1 31 31 ALA HA H 1 4.254 0.020 . 1 . . . . . . . . 4920 1 241 . 1 1 31 31 ALA HB1 H 1 1.396 0.020 . 1 . . . . . . . . 4920 1 242 . 1 1 31 31 ALA HB2 H 1 1.396 0.020 . 1 . . . . . . . . 4920 1 243 . 1 1 31 31 ALA HB3 H 1 1.396 0.020 . 1 . . . . . . . . 4920 1 244 . 1 1 31 31 ALA C C 13 177.900 0.100 . 1 . . . . . . . . 4920 1 245 . 1 1 32 32 SER N N 15 112.700 0.100 . 1 . . . . . . . . 4920 1 246 . 1 1 32 32 SER H H 1 8.376 0.020 . 1 . . . . . . . . 4920 1 247 . 1 1 32 32 SER CA C 13 58.000 0.100 . 1 . . . . . . . . 4920 1 248 . 1 1 32 32 SER HA H 1 4.472 0.020 . 1 . . . . . . . . 4920 1 249 . 1 1 32 32 SER HB2 H 1 3.873 0.020 . 1 . . . . . . . . 4920 1 250 . 1 1 32 32 SER HB3 H 1 4.037 0.020 . 1 . . . . . . . . 4920 1 251 . 1 1 32 32 SER C C 13 174.400 0.100 . 1 . . . . . . . . 4920 1 252 . 1 1 33 33 SER N N 15 114.100 0.100 . 1 . . . . . . . . 4920 1 253 . 1 1 33 33 SER H H 1 7.463 0.020 . 1 . . . . . . . . 4920 1 254 . 1 1 33 33 SER CA C 13 55.700 0.100 . 1 . . . . . . . . 4920 1 255 . 1 1 33 33 SER HA H 1 4.792 0.020 . 1 . . . . . . . . 4920 1 256 . 1 1 33 33 SER HB3 H 1 3.944 0.020 . 1 . . . . . . . . 4920 1 257 . 1 1 33 33 SER HB2 H 1 4.272 0.020 . 1 . . . . . . . . 4920 1 258 . 1 1 33 33 SER C C 13 174.500 0.100 . 1 . . . . . . . . 4920 1 259 . 1 1 34 34 ARG N N 15 125.000 0.100 . 1 . . . . . . . . 4920 1 260 . 1 1 34 34 ARG H H 1 9.016 0.020 . 1 . . . . . . . . 4920 1 261 . 1 1 34 34 ARG CA C 13 59.000 0.100 . 1 . . . . . . . . 4920 1 262 . 1 1 34 34 ARG HA H 1 3.821 0.020 . 1 . . . . . . . . 4920 1 263 . 1 1 34 34 ARG HB2 H 1 1.771 0.020 . 1 . . . . . . . . 4920 1 264 . 1 1 34 34 ARG HB3 H 1 1.884 0.020 . 1 . . . . . . . . 4920 1 265 . 1 1 34 34 ARG HG3 H 1 1.516 0.020 . 2 . . . . . . . . 4920 1 266 . 1 1 34 34 ARG HG2 H 1 1.671 0.020 . 2 . . . . . . . . 4920 1 267 . 1 1 34 34 ARG HD2 H 1 3.230 0.020 . 2 . . . . . . . . 4920 1 268 . 1 1 34 34 ARG HD3 H 1 3.277 0.020 . 2 . . . . . . . . 4920 1 269 . 1 1 34 34 ARG NE N 15 84.400 0.100 . 1 . . . . . . . . 4920 1 270 . 1 1 34 34 ARG HE H 1 7.334 0.020 . 1 . . . . . . . . 4920 1 271 . 1 1 34 34 ARG C C 13 178.400 0.100 . 1 . . . . . . . . 4920 1 272 . 1 1 35 35 GLU N N 15 118.700 0.100 . 1 . . . . . . . . 4920 1 273 . 1 1 35 35 GLU H H 1 8.997 0.020 . 1 . . . . . . . . 4920 1 274 . 1 1 35 35 GLU CA C 13 59.400 0.100 . 1 . . . . . . . . 4920 1 275 . 1 1 35 35 GLU HA H 1 4.086 0.020 . 1 . . . . . . . . 4920 1 276 . 1 1 35 35 GLU HB3 H 1 1.964 0.020 . 1 . . . . . . . . 4920 1 277 . 1 1 35 35 GLU HB2 H 1 2.081 0.020 . 1 . . . . . . . . 4920 1 278 . 1 1 35 35 GLU HG2 H 1 2.314 0.020 . 2 . . . . . . . . 4920 1 279 . 1 1 35 35 GLU HG3 H 1 2.467 0.020 . 2 . . . . . . . . 4920 1 280 . 1 1 35 35 GLU C C 13 179.700 0.100 . 1 . . . . . . . . 4920 1 281 . 1 1 36 36 ALA N N 15 123.400 0.100 . 1 . . . . . . . . 4920 1 282 . 1 1 36 36 ALA H H 1 7.937 0.020 . 1 . . . . . . . . 4920 1 283 . 1 1 36 36 ALA CA C 13 54.000 0.100 . 1 . . . . . . . . 4920 1 284 . 1 1 36 36 ALA HA H 1 4.225 0.020 . 1 . . . . . . . . 4920 1 285 . 1 1 36 36 ALA HB1 H 1 1.503 0.020 . 1 . . . . . . . . 4920 1 286 . 1 1 36 36 ALA HB2 H 1 1.503 0.020 . 1 . . . . . . . . 4920 1 287 . 1 1 36 36 ALA HB3 H 1 1.503 0.020 . 1 . . . . . . . . 4920 1 288 . 1 1 36 36 ALA C C 13 181.000 0.100 . 1 . . . . . . . . 4920 1 289 . 1 1 37 37 ARG N N 15 118.300 0.100 . 1 . . . . . . . . 4920 1 290 . 1 1 37 37 ARG H H 1 7.754 0.020 . 1 . . . . . . . . 4920 1 291 . 1 1 37 37 ARG CA C 13 60.200 0.100 . 1 . . . . . . . . 4920 1 292 . 1 1 37 37 ARG HA H 1 3.670 0.020 . 1 . . . . . . . . 4920 1 293 . 1 1 37 37 ARG HB3 H 1 1.466 0.020 . 1 . . . . . . . . 4920 1 294 . 1 1 37 37 ARG HB2 H 1 1.853 0.020 . 1 . . . . . . . . 4920 1 295 . 1 1 37 37 ARG HG3 H 1 0.538 0.020 . 2 . . . . . . . . 4920 1 296 . 1 1 37 37 ARG HG2 H 1 1.628 0.020 . 2 . . . . . . . . 4920 1 297 . 1 1 37 37 ARG HD2 H 1 2.065 0.020 . 2 . . . . . . . . 4920 1 298 . 1 1 37 37 ARG HD3 H 1 2.773 0.020 . 2 . . . . . . . . 4920 1 299 . 1 1 37 37 ARG NE N 15 85.100 0.100 . 1 . . . . . . . . 4920 1 300 . 1 1 37 37 ARG HE H 1 6.302 0.020 . 1 . . . . . . . . 4920 1 301 . 1 1 37 37 ARG C C 13 178.600 0.100 . 1 . . . . . . . . 4920 1 302 . 1 1 38 38 GLN N N 15 119.500 0.100 . 1 . . . . . . . . 4920 1 303 . 1 1 38 38 GLN H H 1 8.888 0.020 . 1 . . . . . . . . 4920 1 304 . 1 1 38 38 GLN CA C 13 58.700 0.100 . 1 . . . . . . . . 4920 1 305 . 1 1 38 38 GLN HA H 1 4.031 0.020 . 1 . . . . . . . . 4920 1 306 . 1 1 38 38 GLN HB3 H 1 2.108 0.020 . 1 . . . . . . . . 4920 1 307 . 1 1 38 38 GLN HB2 H 1 2.331 0.020 . 1 . . . . . . . . 4920 1 308 . 1 1 38 38 GLN HG2 H 1 2.417 0.020 . 2 . . . . . . . . 4920 1 309 . 1 1 38 38 GLN HG3 H 1 2.586 0.020 . 2 . . . . . . . . 4920 1 310 . 1 1 38 38 GLN NE2 N 15 113.100 0.100 . 1 . . . . . . . . 4920 1 311 . 1 1 38 38 GLN HE21 H 1 7.291 0.020 . 1 . . . . . . . . 4920 1 312 . 1 1 38 38 GLN HE22 H 1 6.786 0.020 . 1 . . . . . . . . 4920 1 313 . 1 1 38 38 GLN C C 13 180.600 0.100 . 1 . . . . . . . . 4920 1 314 . 1 1 39 39 ALA N N 15 123.000 0.100 . 1 . . . . . . . . 4920 1 315 . 1 1 39 39 ALA H H 1 7.799 0.020 . 1 . . . . . . . . 4920 1 316 . 1 1 39 39 ALA CA C 13 54.300 0.100 . 1 . . . . . . . . 4920 1 317 . 1 1 39 39 ALA HA H 1 4.270 0.020 . 1 . . . . . . . . 4920 1 318 . 1 1 39 39 ALA HB1 H 1 1.581 0.020 . 1 . . . . . . . . 4920 1 319 . 1 1 39 39 ALA HB2 H 1 1.581 0.020 . 1 . . . . . . . . 4920 1 320 . 1 1 39 39 ALA HB3 H 1 1.581 0.020 . 1 . . . . . . . . 4920 1 321 . 1 1 39 39 ALA C C 13 178.800 0.100 . 1 . . . . . . . . 4920 1 322 . 1 1 40 40 ILE N N 15 122.800 0.100 . 1 . . . . . . . . 4920 1 323 . 1 1 40 40 ILE H H 1 7.814 0.020 . 1 . . . . . . . . 4920 1 324 . 1 1 40 40 ILE CA C 13 64.200 0.100 . 1 . . . . . . . . 4920 1 325 . 1 1 40 40 ILE HA H 1 3.842 0.020 . 1 . . . . . . . . 4920 1 326 . 1 1 40 40 ILE HB H 1 2.140 0.020 . 1 . . . . . . . . 4920 1 327 . 1 1 40 40 ILE HG21 H 1 1.194 0.020 . 1 . . . . . . . . 4920 1 328 . 1 1 40 40 ILE HG22 H 1 1.194 0.020 . 1 . . . . . . . . 4920 1 329 . 1 1 40 40 ILE HG23 H 1 1.194 0.020 . 1 . . . . . . . . 4920 1 330 . 1 1 40 40 ILE HG12 H 1 1.170 0.020 . 2 . . . . . . . . 4920 1 331 . 1 1 40 40 ILE HG13 H 1 1.828 0.020 . 2 . . . . . . . . 4920 1 332 . 1 1 40 40 ILE HD11 H 1 0.813 0.020 . 1 . . . . . . . . 4920 1 333 . 1 1 40 40 ILE HD12 H 1 0.813 0.020 . 1 . . . . . . . . 4920 1 334 . 1 1 40 40 ILE HD13 H 1 0.813 0.020 . 1 . . . . . . . . 4920 1 335 . 1 1 40 40 ILE C C 13 177.600 0.100 . 1 . . . . . . . . 4920 1 336 . 1 1 41 41 LEU N N 15 123.000 0.100 . 1 . . . . . . . . 4920 1 337 . 1 1 41 41 LEU H H 1 8.385 0.020 . 1 . . . . . . . . 4920 1 338 . 1 1 41 41 LEU CA C 13 58.100 0.100 . 1 . . . . . . . . 4920 1 339 . 1 1 41 41 LEU HA H 1 4.282 0.020 . 1 . . . . . . . . 4920 1 340 . 1 1 41 41 LEU HB2 H 1 1.632 0.020 . 1 . . . . . . . . 4920 1 341 . 1 1 41 41 LEU HB3 H 1 2.162 0.020 . 1 . . . . . . . . 4920 1 342 . 1 1 41 41 LEU HG H 1 1.627 0.020 . 1 . . . . . . . . 4920 1 343 . 1 1 41 41 LEU HD11 H 1 0.917 0.020 . 2 . . . . . . . . 4920 1 344 . 1 1 41 41 LEU HD12 H 1 0.917 0.020 . 2 . . . . . . . . 4920 1 345 . 1 1 41 41 LEU HD13 H 1 0.917 0.020 . 2 . . . . . . . . 4920 1 346 . 1 1 41 41 LEU HD21 H 1 1.042 0.020 . 2 . . . . . . . . 4920 1 347 . 1 1 41 41 LEU HD22 H 1 1.042 0.020 . 2 . . . . . . . . 4920 1 348 . 1 1 41 41 LEU HD23 H 1 1.042 0.020 . 2 . . . . . . . . 4920 1 349 . 1 1 41 41 LEU C C 13 178.800 0.100 . 1 . . . . . . . . 4920 1 350 . 1 1 42 42 LYS N N 15 119.300 0.100 . 1 . . . . . . . . 4920 1 351 . 1 1 42 42 LYS H H 1 8.032 0.020 . 1 . . . . . . . . 4920 1 352 . 1 1 42 42 LYS CA C 13 58.600 0.100 . 1 . . . . . . . . 4920 1 353 . 1 1 42 42 LYS HA H 1 4.185 0.020 . 1 . . . . . . . . 4920 1 354 . 1 1 42 42 LYS HB2 H 1 1.947 0.020 . 1 . . . . . . . . 4920 1 355 . 1 1 42 42 LYS HB3 H 1 2.065 0.020 . 1 . . . . . . . . 4920 1 356 . 1 1 42 42 LYS HG3 H 1 1.524 0.020 . 2 . . . . . . . . 4920 1 357 . 1 1 42 42 LYS HG2 H 1 1.678 0.020 . 2 . . . . . . . . 4920 1 358 . 1 1 42 42 LYS HD2 H 1 1.808 0.020 . 1 . . . . . . . . 4920 1 359 . 1 1 42 42 LYS HD3 H 1 1.808 0.020 . 1 . . . . . . . . 4920 1 360 . 1 1 42 42 LYS HE2 H 1 3.047 0.020 . 1 . . . . . . . . 4920 1 361 . 1 1 42 42 LYS HE3 H 1 3.047 0.020 . 1 . . . . . . . . 4920 1 362 . 1 1 42 42 LYS C C 13 178.600 0.100 . 1 . . . . . . . . 4920 1 363 . 1 1 43 43 GLN N N 15 119.300 0.100 . 1 . . . . . . . . 4920 1 364 . 1 1 43 43 GLN H H 1 7.945 0.020 . 1 . . . . . . . . 4920 1 365 . 1 1 43 43 GLN CA C 13 58.400 0.100 . 1 . . . . . . . . 4920 1 366 . 1 1 43 43 GLN HA H 1 4.159 0.020 . 1 . . . . . . . . 4920 1 367 . 1 1 43 43 GLN HB2 H 1 2.146 0.020 . 1 . . . . . . . . 4920 1 368 . 1 1 43 43 GLN HB3 H 1 2.376 0.020 . 1 . . . . . . . . 4920 1 369 . 1 1 43 43 GLN HG3 H 1 2.342 0.020 . 2 . . . . . . . . 4920 1 370 . 1 1 43 43 GLN HG2 H 1 2.548 0.020 . 2 . . . . . . . . 4920 1 371 . 1 1 43 43 GLN NE2 N 15 110.300 0.100 . 1 . . . . . . . . 4920 1 372 . 1 1 43 43 GLN HE21 H 1 7.202 0.020 . 1 . . . . . . . . 4920 1 373 . 1 1 43 43 GLN HE22 H 1 6.721 0.020 . 1 . . . . . . . . 4920 1 374 . 1 1 43 43 GLN C C 13 180.600 0.100 . 1 . . . . . . . . 4920 1 375 . 1 1 44 44 GLY N N 15 108.400 0.100 . 1 . . . . . . . . 4920 1 376 . 1 1 44 44 GLY H H 1 8.746 0.020 . 1 . . . . . . . . 4920 1 377 . 1 1 44 44 GLY CA C 13 46.300 0.100 . 1 . . . . . . . . 4920 1 378 . 1 1 44 44 GLY HA2 H 1 3.654 0.020 . 1 . . . . . . . . 4920 1 379 . 1 1 44 44 GLY HA3 H 1 3.544 0.020 . 1 . . . . . . . . 4920 1 380 . 1 1 44 44 GLY C C 13 176.300 0.100 . 1 . . . . . . . . 4920 1 381 . 1 1 45 45 GLN N N 15 125.500 0.100 . 1 . . . . . . . . 4920 1 382 . 1 1 45 45 GLN H H 1 8.943 0.020 . 1 . . . . . . . . 4920 1 383 . 1 1 45 45 GLN CA C 13 58.400 0.100 . 1 . . . . . . . . 4920 1 384 . 1 1 45 45 GLN HA H 1 4.081 0.020 . 1 . . . . . . . . 4920 1 385 . 1 1 45 45 GLN HB3 H 1 2.173 0.020 . 1 . . . . . . . . 4920 1 386 . 1 1 45 45 GLN HB2 H 1 2.458 0.020 . 1 . . . . . . . . 4920 1 387 . 1 1 45 45 GLN HG2 H 1 2.446 0.020 . 2 . . . . . . . . 4920 1 388 . 1 1 45 45 GLN HG3 H 1 2.551 0.020 . 2 . . . . . . . . 4920 1 389 . 1 1 45 45 GLN NE2 N 15 110.600 0.100 . 1 . . . . . . . . 4920 1 390 . 1 1 45 45 GLN HE21 H 1 7.386 0.020 . 1 . . . . . . . . 4920 1 391 . 1 1 45 45 GLN HE22 H 1 6.722 0.020 . 1 . . . . . . . . 4920 1 392 . 1 1 45 45 GLN C C 13 179.500 0.100 . 1 . . . . . . . . 4920 1 393 . 1 1 46 46 ASP N N 15 120.900 0.100 . 1 . . . . . . . . 4920 1 394 . 1 1 46 46 ASP H H 1 9.065 0.020 . 1 . . . . . . . . 4920 1 395 . 1 1 46 46 ASP CA C 13 56.300 0.100 . 1 . . . . . . . . 4920 1 396 . 1 1 46 46 ASP HA H 1 4.418 0.020 . 1 . . . . . . . . 4920 1 397 . 1 1 46 46 ASP HB3 H 1 2.707 0.020 . 1 . . . . . . . . 4920 1 398 . 1 1 46 46 ASP HB2 H 1 2.788 0.020 . 1 . . . . . . . . 4920 1 399 . 1 1 46 46 ASP C C 13 178.800 0.100 . 1 . . . . . . . . 4920 1 400 . 1 1 47 47 GLY N N 15 105.200 0.100 . 1 . . . . . . . . 4920 1 401 . 1 1 47 47 GLY H H 1 7.934 0.020 . 1 . . . . . . . . 4920 1 402 . 1 1 47 47 GLY CA C 13 44.900 0.100 . 1 . . . . . . . . 4920 1 403 . 1 1 47 47 GLY HA2 H 1 3.811 0.020 . 2 . . . . . . . . 4920 1 404 . 1 1 47 47 GLY HA3 H 1 4.087 0.020 . 2 . . . . . . . . 4920 1 405 . 1 1 47 47 GLY C C 13 176.100 0.100 . 1 . . . . . . . . 4920 1 406 . 1 1 48 48 LEU N N 15 123.100 0.100 . 1 . . . . . . . . 4920 1 407 . 1 1 48 48 LEU H H 1 7.461 0.020 . 1 . . . . . . . . 4920 1 408 . 1 1 48 48 LEU CA C 13 56.900 0.100 . 1 . . . . . . . . 4920 1 409 . 1 1 48 48 LEU HA H 1 4.105 0.020 . 1 . . . . . . . . 4920 1 410 . 1 1 48 48 LEU HB2 H 1 1.657 0.020 . 1 . . . . . . . . 4920 1 411 . 1 1 48 48 LEU HB3 H 1 1.826 0.020 . 1 . . . . . . . . 4920 1 412 . 1 1 48 48 LEU HG H 1 1.894 0.020 . 1 . . . . . . . . 4920 1 413 . 1 1 48 48 LEU HD11 H 1 0.911 0.020 . 1 . . . . . . . . 4920 1 414 . 1 1 48 48 LEU HD12 H 1 0.911 0.020 . 1 . . . . . . . . 4920 1 415 . 1 1 48 48 LEU HD13 H 1 0.911 0.020 . 1 . . . . . . . . 4920 1 416 . 1 1 48 48 LEU HD21 H 1 0.810 0.020 . 1 . . . . . . . . 4920 1 417 . 1 1 48 48 LEU HD22 H 1 0.810 0.020 . 1 . . . . . . . . 4920 1 418 . 1 1 48 48 LEU HD23 H 1 0.810 0.020 . 1 . . . . . . . . 4920 1 419 . 1 1 48 48 LEU C C 13 178.900 0.100 . 1 . . . . . . . . 4920 1 420 . 1 1 49 49 SER N N 15 111.100 0.100 . 1 . . . . . . . . 4920 1 421 . 1 1 49 49 SER H H 1 7.688 0.020 . 1 . . . . . . . . 4920 1 422 . 1 1 49 49 SER CA C 13 59.900 0.100 . 1 . . . . . . . . 4920 1 423 . 1 1 49 49 SER HA H 1 4.192 0.020 . 1 . . . . . . . . 4920 1 424 . 1 1 49 49 SER HB3 H 1 3.979 0.020 . 1 . . . . . . . . 4920 1 425 . 1 1 49 49 SER HB2 H 1 4.008 0.020 . 1 . . . . . . . . 4920 1 426 . 1 1 49 49 SER C C 13 175.600 0.100 . 1 . . . . . . . . 4920 1 427 . 1 1 50 50 GLY N N 15 108.200 0.100 . 1 . . . . . . . . 4920 1 428 . 1 1 50 50 GLY H H 1 7.856 0.020 . 1 . . . . . . . . 4920 1 429 . 1 1 50 50 GLY CA C 13 44.100 0.100 . 1 . . . . . . . . 4920 1 430 . 1 1 50 50 GLY HA3 H 1 3.741 0.020 . 1 . . . . . . . . 4920 1 431 . 1 1 50 50 GLY HA2 H 1 4.410 0.020 . 1 . . . . . . . . 4920 1 432 . 1 1 50 50 GLY C C 13 174.300 0.100 . 1 . . . . . . . . 4920 1 433 . 1 1 51 51 VAL N N 15 122.300 0.100 . 1 . . . . . . . . 4920 1 434 . 1 1 51 51 VAL H H 1 7.389 0.020 . 1 . . . . . . . . 4920 1 435 . 1 1 51 51 VAL CA C 13 60.600 0.100 . 1 . . . . . . . . 4920 1 436 . 1 1 51 51 VAL HA H 1 4.166 0.020 . 1 . . . . . . . . 4920 1 437 . 1 1 51 51 VAL HB H 1 2.214 0.020 . 1 . . . . . . . . 4920 1 438 . 1 1 51 51 VAL HG11 H 1 1.062 0.020 . 1 . . . . . . . . 4920 1 439 . 1 1 51 51 VAL HG12 H 1 1.062 0.020 . 1 . . . . . . . . 4920 1 440 . 1 1 51 51 VAL HG13 H 1 1.062 0.020 . 1 . . . . . . . . 4920 1 441 . 1 1 51 51 VAL HG21 H 1 1.117 0.020 . 1 . . . . . . . . 4920 1 442 . 1 1 51 51 VAL HG22 H 1 1.117 0.020 . 1 . . . . . . . . 4920 1 443 . 1 1 51 51 VAL HG23 H 1 1.117 0.020 . 1 . . . . . . . . 4920 1 444 . 1 1 51 51 VAL C C 13 175.900 0.100 . 1 . . . . . . . . 4920 1 445 . 1 1 52 52 LYS N N 15 127.000 0.100 . 1 . . . . . . . . 4920 1 446 . 1 1 52 52 LYS H H 1 8.828 0.020 . 1 . . . . . . . . 4920 1 447 . 1 1 52 52 LYS CA C 13 56.200 0.100 . 1 . . . . . . . . 4920 1 448 . 1 1 52 52 LYS HA H 1 4.241 0.020 . 1 . . . . . . . . 4920 1 449 . 1 1 52 52 LYS HB2 H 1 1.952 0.020 . 1 . . . . . . . . 4920 1 450 . 1 1 52 52 LYS HB3 H 1 1.952 0.020 . 1 . . . . . . . . 4920 1 451 . 1 1 52 52 LYS HG2 H 1 1.620 0.020 . 1 . . . . . . . . 4920 1 452 . 1 1 52 52 LYS HG3 H 1 1.620 0.020 . 1 . . . . . . . . 4920 1 453 . 1 1 52 52 LYS HD2 H 1 1.767 0.020 . 1 . . . . . . . . 4920 1 454 . 1 1 52 52 LYS HD3 H 1 1.767 0.020 . 1 . . . . . . . . 4920 1 455 . 1 1 52 52 LYS HE2 H 1 3.072 0.020 . 1 . . . . . . . . 4920 1 456 . 1 1 52 52 LYS HE3 H 1 3.072 0.020 . 1 . . . . . . . . 4920 1 457 . 1 1 52 52 LYS C C 13 178.700 0.100 . 1 . . . . . . . . 4920 1 458 . 1 1 53 53 GLU N N 15 123.500 0.100 . 1 . . . . . . . . 4920 1 459 . 1 1 53 53 GLU H H 1 8.864 0.020 . 1 . . . . . . . . 4920 1 460 . 1 1 53 53 GLU CA C 13 59.900 0.100 . 1 . . . . . . . . 4920 1 461 . 1 1 53 53 GLU HA H 1 3.854 0.020 . 1 . . . . . . . . 4920 1 462 . 1 1 53 53 GLU HB3 H 1 2.072 0.020 . 1 . . . . . . . . 4920 1 463 . 1 1 53 53 GLU HB2 H 1 2.213 0.020 . 1 . . . . . . . . 4920 1 464 . 1 1 53 53 GLU HG2 H 1 2.317 0.020 . 2 . . . . . . . . 4920 1 465 . 1 1 53 53 GLU HG3 H 1 2.387 0.020 . 2 . . . . . . . . 4920 1 466 . 1 1 53 53 GLU C C 13 179.100 0.100 . 1 . . . . . . . . 4920 1 467 . 1 1 54 54 THR N N 15 107.400 0.100 . 1 . . . . . . . . 4920 1 468 . 1 1 54 54 THR H H 1 7.898 0.020 . 1 . . . . . . . . 4920 1 469 . 1 1 54 54 THR CA C 13 63.300 0.100 . 1 . . . . . . . . 4920 1 470 . 1 1 54 54 THR HA H 1 4.099 0.020 . 1 . . . . . . . . 4920 1 471 . 1 1 54 54 THR HB H 1 4.371 0.020 . 1 . . . . . . . . 4920 1 472 . 1 1 54 54 THR HG21 H 1 1.325 0.020 . 1 . . . . . . . . 4920 1 473 . 1 1 54 54 THR HG22 H 1 1.325 0.020 . 1 . . . . . . . . 4920 1 474 . 1 1 54 54 THR HG23 H 1 1.325 0.020 . 1 . . . . . . . . 4920 1 475 . 1 1 54 54 THR C C 13 175.100 0.100 . 1 . . . . . . . . 4920 1 476 . 1 1 55 55 ASP N N 15 119.300 0.100 . 1 . . . . . . . . 4920 1 477 . 1 1 55 55 ASP H H 1 7.762 0.020 . 1 . . . . . . . . 4920 1 478 . 1 1 55 55 ASP CA C 13 54.200 0.100 . 1 . . . . . . . . 4920 1 479 . 1 1 55 55 ASP HA H 1 5.215 0.020 . 1 . . . . . . . . 4920 1 480 . 1 1 55 55 ASP HB2 H 1 2.722 0.020 . 1 . . . . . . . . 4920 1 481 . 1 1 55 55 ASP HB3 H 1 2.943 0.020 . 1 . . . . . . . . 4920 1 482 . 1 1 55 55 ASP C C 13 178.200 0.100 . 1 . . . . . . . . 4920 1 483 . 1 1 56 56 LYS N N 15 124.000 0.100 . 1 . . . . . . . . 4920 1 484 . 1 1 56 56 LYS H H 1 7.640 0.020 . 1 . . . . . . . . 4920 1 485 . 1 1 56 56 LYS CA C 13 60.500 0.100 . 1 . . . . . . . . 4920 1 486 . 1 1 56 56 LYS HA H 1 3.633 0.020 . 1 . . . . . . . . 4920 1 487 . 1 1 56 56 LYS HB2 H 1 1.836 0.020 . 1 . . . . . . . . 4920 1 488 . 1 1 56 56 LYS HB3 H 1 1.836 0.020 . 1 . . . . . . . . 4920 1 489 . 1 1 56 56 LYS HG2 H 1 1.232 0.020 . 4 . . . . . . . . 4920 1 490 . 1 1 56 56 LYS HG3 H 1 1.627 0.020 . 4 . . . . . . . . 4920 1 491 . 1 1 56 56 LYS HD2 H 1 1.681 0.020 . 4 . . . . . . . . 4920 1 492 . 1 1 56 56 LYS HD3 H 1 1.681 0.020 . 4 . . . . . . . . 4920 1 493 . 1 1 56 56 LYS HE2 H 1 3.023 0.020 . 1 . . . . . . . . 4920 1 494 . 1 1 56 56 LYS HE3 H 1 3.023 0.020 . 1 . . . . . . . . 4920 1 495 . 1 1 56 56 LYS C C 13 178.400 0.100 . 1 . . . . . . . . 4920 1 496 . 1 1 57 57 LYS N N 15 117.700 0.100 . 1 . . . . . . . . 4920 1 497 . 1 1 57 57 LYS H H 1 8.316 0.020 . 1 . . . . . . . . 4920 1 498 . 1 1 57 57 LYS CA C 13 57.700 0.100 . 1 . . . . . . . . 4920 1 499 . 1 1 57 57 LYS HA H 1 3.886 0.020 . 1 . . . . . . . . 4920 1 500 . 1 1 57 57 LYS HB3 H 1 1.147 0.020 . 1 . . . . . . . . 4920 1 501 . 1 1 57 57 LYS HB2 H 1 1.445 0.020 . 1 . . . . . . . . 4920 1 502 . 1 1 57 57 LYS HG3 H 1 0.222 0.020 . 2 . . . . . . . . 4920 1 503 . 1 1 57 57 LYS HG2 H 1 0.570 0.020 . 2 . . . . . . . . 4920 1 504 . 1 1 57 57 LYS HD2 H 1 1.149 0.020 . 2 . . . . . . . . 4920 1 505 . 1 1 57 57 LYS HD3 H 1 1.209 0.020 . 2 . . . . . . . . 4920 1 506 . 1 1 57 57 LYS HE2 H 1 2.440 0.020 . 2 . . . . . . . . 4920 1 507 . 1 1 57 57 LYS HE3 H 1 2.533 0.020 . 2 . . . . . . . . 4920 1 508 . 1 1 57 57 LYS C C 13 177.900 0.100 . 1 . . . . . . . . 4920 1 509 . 1 1 58 58 TRP N N 15 121.600 0.100 . 1 . . . . . . . . 4920 1 510 . 1 1 58 58 TRP H H 1 6.829 0.020 . 1 . . . . . . . . 4920 1 511 . 1 1 58 58 TRP CA C 13 57.000 0.100 . 1 . . . . . . . . 4920 1 512 . 1 1 58 58 TRP HA H 1 4.802 0.020 . 1 . . . . . . . . 4920 1 513 . 1 1 58 58 TRP HB2 H 1 3.246 0.020 . 1 . . . . . . . . 4920 1 514 . 1 1 58 58 TRP HB3 H 1 3.884 0.020 . 1 . . . . . . . . 4920 1 515 . 1 1 58 58 TRP NE1 N 15 129.400 0.100 . 1 . . . . . . . . 4920 1 516 . 1 1 58 58 TRP HD1 H 1 7.486 0.020 . 1 . . . . . . . . 4920 1 517 . 1 1 58 58 TRP HE3 H 1 7.489 0.020 . 1 . . . . . . . . 4920 1 518 . 1 1 58 58 TRP HE1 H 1 10.455 0.020 . 1 . . . . . . . . 4920 1 519 . 1 1 58 58 TRP HZ3 H 1 7.135 0.020 . 1 . . . . . . . . 4920 1 520 . 1 1 58 58 TRP HZ2 H 1 7.573 0.020 . 1 . . . . . . . . 4920 1 521 . 1 1 58 58 TRP HH2 H 1 7.266 0.020 . 1 . . . . . . . . 4920 1 522 . 1 1 58 58 TRP C C 13 178.500 0.100 . 1 . . . . . . . . 4920 1 523 . 1 1 59 59 ALA N N 15 122.900 0.100 . 1 . . . . . . . . 4920 1 524 . 1 1 59 59 ALA H H 1 7.973 0.020 . 1 . . . . . . . . 4920 1 525 . 1 1 59 59 ALA CA C 13 55.000 0.100 . 1 . . . . . . . . 4920 1 526 . 1 1 59 59 ALA HA H 1 3.632 0.020 . 1 . . . . . . . . 4920 1 527 . 1 1 59 59 ALA HB1 H 1 0.813 0.020 . 1 . . . . . . . . 4920 1 528 . 1 1 59 59 ALA HB2 H 1 0.813 0.020 . 1 . . . . . . . . 4920 1 529 . 1 1 59 59 ALA HB3 H 1 0.813 0.020 . 1 . . . . . . . . 4920 1 530 . 1 1 59 59 ALA C C 13 179.700 0.100 . 1 . . . . . . . . 4920 1 531 . 1 1 60 60 SER N N 15 110.000 0.100 . 1 . . . . . . . . 4920 1 532 . 1 1 60 60 SER H H 1 8.466 0.020 . 1 . . . . . . . . 4920 1 533 . 1 1 60 60 SER CA C 13 61.600 0.100 . 1 . . . . . . . . 4920 1 534 . 1 1 60 60 SER HA H 1 4.042 0.020 . 1 . . . . . . . . 4920 1 535 . 1 1 60 60 SER HB2 H 1 3.879 0.020 . 2 . . . . . . . . 4920 1 536 . 1 1 60 60 SER HB3 H 1 3.954 0.020 . 2 . . . . . . . . 4920 1 537 . 1 1 60 60 SER C C 13 176.600 0.100 . 1 . . . . . . . . 4920 1 538 . 1 1 61 61 GLN N N 15 121.800 0.100 . 1 . . . . . . . . 4920 1 539 . 1 1 61 61 GLN H H 1 7.614 0.020 . 1 . . . . . . . . 4920 1 540 . 1 1 61 61 GLN CA C 13 59.000 0.100 . 1 . . . . . . . . 4920 1 541 . 1 1 61 61 GLN HA H 1 4.151 0.020 . 1 . . . . . . . . 4920 1 542 . 1 1 61 61 GLN HB2 H 1 2.360 0.020 . 1 . . . . . . . . 4920 1 543 . 1 1 61 61 GLN HB3 H 1 2.486 0.020 . 1 . . . . . . . . 4920 1 544 . 1 1 61 61 GLN HG2 H 1 2.456 0.020 . 2 . . . . . . . . 4920 1 545 . 1 1 61 61 GLN HG3 H 1 2.654 0.020 . 2 . . . . . . . . 4920 1 546 . 1 1 61 61 GLN NE2 N 15 110.400 0.100 . 1 . . . . . . . . 4920 1 547 . 1 1 61 61 GLN HE21 H 1 7.075 0.020 . 1 . . . . . . . . 4920 1 548 . 1 1 61 61 GLN HE22 H 1 6.956 0.020 . 1 . . . . . . . . 4920 1 549 . 1 1 61 61 GLN C C 13 179.200 0.100 . 1 . . . . . . . . 4920 1 550 . 1 1 62 62 TYR N N 15 116.500 0.100 . 1 . . . . . . . . 4920 1 551 . 1 1 62 62 TYR H H 1 7.768 0.020 . 1 . . . . . . . . 4920 1 552 . 1 1 62 62 TYR CA C 13 58.300 0.100 . 1 . . . . . . . . 4920 1 553 . 1 1 62 62 TYR HA H 1 4.205 0.020 . 1 . . . . . . . . 4920 1 554 . 1 1 62 62 TYR HB2 H 1 2.929 0.020 . 2 . . . . . . . . 4920 1 555 . 1 1 62 62 TYR HB3 H 1 3.752 0.020 . 2 . . . . . . . . 4920 1 556 . 1 1 62 62 TYR HD1 H 1 6.668 0.020 . 1 . . . . . . . . 4920 1 557 . 1 1 62 62 TYR HD2 H 1 6.668 0.020 . 1 . . . . . . . . 4920 1 558 . 1 1 62 62 TYR HE1 H 1 6.502 0.020 . 1 . . . . . . . . 4920 1 559 . 1 1 62 62 TYR HE2 H 1 6.502 0.020 . 1 . . . . . . . . 4920 1 560 . 1 1 62 62 TYR HH H 1 8.580 0.020 . 1 . . . . . . . . 4920 1 561 . 1 1 62 62 TYR C C 13 178.400 0.100 . 1 . . . . . . . . 4920 1 562 . 1 1 63 63 LEU N N 15 116.100 0.100 . 1 . . . . . . . . 4920 1 563 . 1 1 63 63 LEU H H 1 7.419 0.020 . 1 . . . . . . . . 4920 1 564 . 1 1 63 63 LEU CA C 13 56.400 0.100 . 1 . . . . . . . . 4920 1 565 . 1 1 63 63 LEU HA H 1 4.180 0.020 . 1 . . . . . . . . 4920 1 566 . 1 1 63 63 LEU HB3 H 1 1.526 0.020 . 1 . . . . . . . . 4920 1 567 . 1 1 63 63 LEU HB2 H 1 2.063 0.020 . 1 . . . . . . . . 4920 1 568 . 1 1 63 63 LEU HG H 1 2.065 0.020 . 1 . . . . . . . . 4920 1 569 . 1 1 63 63 LEU HD11 H 1 0.995 0.020 . 1 . . . . . . . . 4920 1 570 . 1 1 63 63 LEU HD12 H 1 0.995 0.020 . 1 . . . . . . . . 4920 1 571 . 1 1 63 63 LEU HD13 H 1 0.995 0.020 . 1 . . . . . . . . 4920 1 572 . 1 1 63 63 LEU HD21 H 1 1.046 0.020 . 1 . . . . . . . . 4920 1 573 . 1 1 63 63 LEU HD22 H 1 1.046 0.020 . 1 . . . . . . . . 4920 1 574 . 1 1 63 63 LEU HD23 H 1 1.046 0.020 . 1 . . . . . . . . 4920 1 575 . 1 1 63 63 LEU C C 13 180.300 0.100 . 1 . . . . . . . . 4920 1 576 . 1 1 64 64 LYS N N 15 122.900 0.100 . 1 . . . . . . . . 4920 1 577 . 1 1 64 64 LYS H H 1 8.316 0.020 . 1 . . . . . . . . 4920 1 578 . 1 1 64 64 LYS CA C 13 58.400 0.100 . 1 . . . . . . . . 4920 1 579 . 1 1 64 64 LYS HA H 1 3.979 0.020 . 1 . . . . . . . . 4920 1 580 . 1 1 64 64 LYS HB2 H 1 1.948 0.020 . 1 . . . . . . . . 4920 1 581 . 1 1 64 64 LYS HB3 H 1 2.074 0.020 . 1 . . . . . . . . 4920 1 582 . 1 1 64 64 LYS HG2 H 1 1.302 0.020 . 2 . . . . . . . . 4920 1 583 . 1 1 64 64 LYS HG3 H 1 1.522 0.020 . 2 . . . . . . . . 4920 1 584 . 1 1 64 64 LYS HD2 H 1 1.611 0.020 . 2 . . . . . . . . 4920 1 585 . 1 1 64 64 LYS HD3 H 1 1.655 0.020 . 2 . . . . . . . . 4920 1 586 . 1 1 64 64 LYS HE2 H 1 2.890 0.020 . 1 . . . . . . . . 4920 1 587 . 1 1 64 64 LYS HE3 H 1 2.890 0.020 . 1 . . . . . . . . 4920 1 588 . 1 1 64 64 LYS C C 13 179.500 0.100 . 1 . . . . . . . . 4920 1 589 . 1 1 65 65 ILE N N 15 120.700 0.100 . 1 . . . . . . . . 4920 1 590 . 1 1 65 65 ILE H H 1 7.892 0.020 . 1 . . . . . . . . 4920 1 591 . 1 1 65 65 ILE CA C 13 64.600 0.100 . 1 . . . . . . . . 4920 1 592 . 1 1 65 65 ILE HA H 1 3.282 0.020 . 1 . . . . . . . . 4920 1 593 . 1 1 65 65 ILE HB H 1 1.453 0.020 . 1 . . . . . . . . 4920 1 594 . 1 1 65 65 ILE HG21 H 1 -0.094 0.020 . 1 . . . . . . . . 4920 1 595 . 1 1 65 65 ILE HG22 H 1 -0.094 0.020 . 1 . . . . . . . . 4920 1 596 . 1 1 65 65 ILE HG23 H 1 -0.094 0.020 . 1 . . . . . . . . 4920 1 597 . 1 1 65 65 ILE HG12 H 1 0.903 0.020 . 1 . . . . . . . . 4920 1 598 . 1 1 65 65 ILE HG13 H 1 1.766 0.020 . 1 . . . . . . . . 4920 1 599 . 1 1 65 65 ILE HD11 H 1 0.739 0.020 . 1 . . . . . . . . 4920 1 600 . 1 1 65 65 ILE HD12 H 1 0.739 0.020 . 1 . . . . . . . . 4920 1 601 . 1 1 65 65 ILE HD13 H 1 0.739 0.020 . 1 . . . . . . . . 4920 1 602 . 1 1 65 65 ILE C C 13 178.400 0.100 . 1 . . . . . . . . 4920 1 603 . 1 1 66 66 MET N N 15 117.100 0.100 . 1 . . . . . . . . 4920 1 604 . 1 1 66 66 MET H H 1 7.795 0.020 . 1 . . . . . . . . 4920 1 605 . 1 1 66 66 MET CA C 13 59.300 0.100 . 1 . . . . . . . . 4920 1 606 . 1 1 66 66 MET HA H 1 3.273 0.020 . 1 . . . . . . . . 4920 1 607 . 1 1 66 66 MET HB3 H 1 1.386 0.020 . 1 . . . . . . . . 4920 1 608 . 1 1 66 66 MET HB2 H 1 2.179 0.020 . 1 . . . . . . . . 4920 1 609 . 1 1 66 66 MET HG3 H 1 0.933 0.020 . 2 . . . . . . . . 4920 1 610 . 1 1 66 66 MET HG2 H 1 2.832 0.020 . 2 . . . . . . . . 4920 1 611 . 1 1 66 66 MET HE1 H 1 1.937 0.020 . 1 . . . . . . . . 4920 1 612 . 1 1 66 66 MET HE2 H 1 1.937 0.020 . 1 . . . . . . . . 4920 1 613 . 1 1 66 66 MET HE3 H 1 1.937 0.020 . 1 . . . . . . . . 4920 1 614 . 1 1 66 66 MET C C 13 177.800 0.100 . 1 . . . . . . . . 4920 1 615 . 1 1 67 67 GLY N N 15 103.800 0.100 . 1 . . . . . . . . 4920 1 616 . 1 1 67 67 GLY H H 1 7.910 0.020 . 1 . . . . . . . . 4920 1 617 . 1 1 67 67 GLY CA C 13 46.400 0.100 . 1 . . . . . . . . 4920 1 618 . 1 1 67 67 GLY HA2 H 1 3.697 0.020 . 1 . . . . . . . . 4920 1 619 . 1 1 67 67 GLY HA3 H 1 3.845 0.020 . 1 . . . . . . . . 4920 1 620 . 1 1 67 67 GLY C C 13 176.000 0.100 . 1 . . . . . . . . 4920 1 621 . 1 1 68 68 LYS N N 15 123.700 0.100 . 1 . . . . . . . . 4920 1 622 . 1 1 68 68 LYS H H 1 7.818 0.020 . 1 . . . . . . . . 4920 1 623 . 1 1 68 68 LYS CA C 13 57.000 0.100 . 1 . . . . . . . . 4920 1 624 . 1 1 68 68 LYS HA H 1 3.850 0.020 . 1 . . . . . . . . 4920 1 625 . 1 1 68 68 LYS HB3 H 1 0.102 0.020 . 1 . . . . . . . . 4920 1 626 . 1 1 68 68 LYS HB2 H 1 1.187 0.020 . 1 . . . . . . . . 4920 1 627 . 1 1 68 68 LYS HG2 H 1 0.828 0.020 . 2 . . . . . . . . 4920 1 628 . 1 1 68 68 LYS HG3 H 1 1.033 0.020 . 2 . . . . . . . . 4920 1 629 . 1 1 68 68 LYS HD2 H 1 1.111 0.020 . 2 . . . . . . . . 4920 1 630 . 1 1 68 68 LYS HD3 H 1 1.364 0.020 . 2 . . . . . . . . 4920 1 631 . 1 1 68 68 LYS HE2 H 1 2.698 0.020 . 1 . . . . . . . . 4920 1 632 . 1 1 68 68 LYS HE3 H 1 2.698 0.020 . 1 . . . . . . . . 4920 1 633 . 1 1 68 68 LYS C C 13 179.400 0.100 . 1 . . . . . . . . 4920 1 634 . 1 1 69 69 ILE N N 15 121.800 0.100 . 1 . . . . . . . . 4920 1 635 . 1 1 69 69 ILE H H 1 8.318 0.020 . 1 . . . . . . . . 4920 1 636 . 1 1 69 69 ILE CA C 13 63.800 0.100 . 1 . . . . . . . . 4920 1 637 . 1 1 69 69 ILE HA H 1 4.039 0.020 . 1 . . . . . . . . 4920 1 638 . 1 1 69 69 ILE HB H 1 2.195 0.020 . 1 . . . . . . . . 4920 1 639 . 1 1 69 69 ILE HG21 H 1 1.028 0.020 . 1 . . . . . . . . 4920 1 640 . 1 1 69 69 ILE HG22 H 1 1.028 0.020 . 1 . . . . . . . . 4920 1 641 . 1 1 69 69 ILE HG23 H 1 1.028 0.020 . 1 . . . . . . . . 4920 1 642 . 1 1 69 69 ILE HG12 H 1 1.126 0.020 . 1 . . . . . . . . 4920 1 643 . 1 1 69 69 ILE HG13 H 1 1.126 0.020 . 1 . . . . . . . . 4920 1 644 . 1 1 69 69 ILE HD11 H 1 0.980 0.020 . 1 . . . . . . . . 4920 1 645 . 1 1 69 69 ILE HD12 H 1 0.980 0.020 . 1 . . . . . . . . 4920 1 646 . 1 1 69 69 ILE HD13 H 1 0.980 0.020 . 1 . . . . . . . . 4920 1 647 . 1 1 69 69 ILE C C 13 176.900 0.100 . 1 . . . . . . . . 4920 1 648 . 1 1 70 70 LEU N N 15 119.800 0.100 . 1 . . . . . . . . 4920 1 649 . 1 1 70 70 LEU H H 1 7.804 0.020 . 1 . . . . . . . . 4920 1 650 . 1 1 70 70 LEU CA C 13 57.400 0.100 . 1 . . . . . . . . 4920 1 651 . 1 1 70 70 LEU HA H 1 4.114 0.020 . 1 . . . . . . . . 4920 1 652 . 1 1 70 70 LEU HB2 H 1 1.534 0.020 . 1 . . . . . . . . 4920 1 653 . 1 1 70 70 LEU HB3 H 1 2.147 0.020 . 1 . . . . . . . . 4920 1 654 . 1 1 70 70 LEU HG H 1 2.003 0.020 . 1 . . . . . . . . 4920 1 655 . 1 1 70 70 LEU HD11 H 1 0.996 0.020 . 1 . . . . . . . . 4920 1 656 . 1 1 70 70 LEU HD12 H 1 0.996 0.020 . 1 . . . . . . . . 4920 1 657 . 1 1 70 70 LEU HD13 H 1 0.996 0.020 . 1 . . . . . . . . 4920 1 658 . 1 1 70 70 LEU HD21 H 1 1.025 0.020 . 1 . . . . . . . . 4920 1 659 . 1 1 70 70 LEU HD22 H 1 1.025 0.020 . 1 . . . . . . . . 4920 1 660 . 1 1 70 70 LEU HD23 H 1 1.025 0.020 . 1 . . . . . . . . 4920 1 661 . 1 1 70 70 LEU C C 13 177.400 0.100 . 1 . . . . . . . . 4920 1 662 . 1 1 71 71 ASP N N 15 119.800 0.100 . 1 . . . . . . . . 4920 1 663 . 1 1 71 71 ASP H H 1 7.784 0.020 . 1 . . . . . . . . 4920 1 664 . 1 1 71 71 ASP CA C 13 55.600 0.100 . 1 . . . . . . . . 4920 1 665 . 1 1 71 71 ASP HA H 1 4.664 0.020 . 1 . . . . . . . . 4920 1 666 . 1 1 71 71 ASP HB3 H 1 2.649 0.020 . 1 . . . . . . . . 4920 1 667 . 1 1 71 71 ASP HB2 H 1 2.682 0.020 . 1 . . . . . . . . 4920 1 668 . 1 1 71 71 ASP C C 13 177.300 0.100 . 1 . . . . . . . . 4920 1 669 . 1 1 72 72 GLN N N 15 116.500 0.100 . 1 . . . . . . . . 4920 1 670 . 1 1 72 72 GLN H H 1 8.886 0.020 . 1 . . . . . . . . 4920 1 671 . 1 1 72 72 GLN CA C 13 55.800 0.100 . 1 . . . . . . . . 4920 1 672 . 1 1 72 72 GLN HA H 1 4.525 0.020 . 1 . . . . . . . . 4920 1 673 . 1 1 72 72 GLN HB3 H 1 2.041 0.020 . 1 . . . . . . . . 4920 1 674 . 1 1 72 72 GLN HB2 H 1 2.324 0.020 . 1 . . . . . . . . 4920 1 675 . 1 1 72 72 GLN HG2 H 1 2.317 0.020 . 2 . . . . . . . . 4920 1 676 . 1 1 72 72 GLN HG3 H 1 2.385 0.020 . 2 . . . . . . . . 4920 1 677 . 1 1 72 72 GLN NE2 N 15 111.800 0.100 . 1 . . . . . . . . 4920 1 678 . 1 1 72 72 GLN HE21 H 1 7.593 0.020 . 1 . . . . . . . . 4920 1 679 . 1 1 72 72 GLN HE22 H 1 6.871 0.020 . 1 . . . . . . . . 4920 1 680 . 1 1 72 72 GLN C C 13 176.800 0.100 . 1 . . . . . . . . 4920 1 681 . 1 1 73 73 GLY N N 15 109.100 0.100 . 1 . . . . . . . . 4920 1 682 . 1 1 73 73 GLY H H 1 8.071 0.020 . 1 . . . . . . . . 4920 1 683 . 1 1 73 73 GLY CA C 13 44.200 0.100 . 1 . . . . . . . . 4920 1 684 . 1 1 73 73 GLY HA3 H 1 4.041 0.020 . 1 . . . . . . . . 4920 1 685 . 1 1 73 73 GLY HA2 H 1 4.758 0.020 . 1 . . . . . . . . 4920 1 686 . 1 1 73 73 GLY C C 13 174.800 0.100 . 1 . . . . . . . . 4920 1 687 . 1 1 74 74 GLU N N 15 116.000 0.100 . 1 . . . . . . . . 4920 1 688 . 1 1 74 74 GLU H H 1 8.507 0.020 . 1 . . . . . . . . 4920 1 689 . 1 1 74 74 GLU CA C 13 57.500 0.100 . 1 . . . . . . . . 4920 1 690 . 1 1 74 74 GLU HA H 1 4.043 0.020 . 1 . . . . . . . . 4920 1 691 . 1 1 74 74 GLU HB2 H 1 2.147 0.020 . 1 . . . . . . . . 4920 1 692 . 1 1 74 74 GLU HB3 H 1 2.218 0.020 . 1 . . . . . . . . 4920 1 693 . 1 1 74 74 GLU HG2 H 1 2.466 0.020 . 1 . . . . . . . . 4920 1 694 . 1 1 74 74 GLU HG3 H 1 2.466 0.020 . 1 . . . . . . . . 4920 1 695 . 1 1 74 74 GLU C C 13 176.900 0.100 . 1 . . . . . . . . 4920 1 696 . 1 1 75 75 ASP N N 15 116.400 0.100 . 1 . . . . . . . . 4920 1 697 . 1 1 75 75 ASP H H 1 8.614 0.020 . 1 . . . . . . . . 4920 1 698 . 1 1 75 75 ASP CA C 13 53.900 0.100 . 1 . . . . . . . . 4920 1 699 . 1 1 75 75 ASP HA H 1 4.850 0.020 . 1 . . . . . . . . 4920 1 700 . 1 1 75 75 ASP HB3 H 1 2.752 0.020 . 1 . . . . . . . . 4920 1 701 . 1 1 75 75 ASP HB2 H 1 2.830 0.020 . 1 . . . . . . . . 4920 1 702 . 1 1 75 75 ASP C C 13 179.600 0.100 . 1 . . . . . . . . 4920 1 703 . 1 1 76 76 PHE N N 15 120.800 0.100 . 1 . . . . . . . . 4920 1 704 . 1 1 76 76 PHE H H 1 7.825 0.020 . 1 . . . . . . . . 4920 1 705 . 1 1 76 76 PHE CA C 13 62.700 0.100 . 1 . . . . . . . . 4920 1 706 . 1 1 76 76 PHE HA H 1 4.362 0.020 . 1 . . . . . . . . 4920 1 707 . 1 1 76 76 PHE HB3 H 1 2.924 0.020 . 1 . . . . . . . . 4920 1 708 . 1 1 76 76 PHE HB2 H 1 3.198 0.020 . 1 . . . . . . . . 4920 1 709 . 1 1 76 76 PHE HD1 H 1 6.937 0.020 . 1 . . . . . . . . 4920 1 710 . 1 1 76 76 PHE HD2 H 1 6.937 0.020 . 1 . . . . . . . . 4920 1 711 . 1 1 76 76 PHE HE1 H 1 7.135 0.020 . 1 . . . . . . . . 4920 1 712 . 1 1 76 76 PHE HE2 H 1 7.135 0.020 . 1 . . . . . . . . 4920 1 713 . 1 1 76 76 PHE HZ H 1 7.140 0.020 . 1 . . . . . . . . 4920 1 714 . 1 1 77 77 PRO CA C 13 65.800 0.100 . 1 . . . . . . . . 4920 1 715 . 1 1 77 77 PRO HA H 1 3.760 0.020 . 1 . . . . . . . . 4920 1 716 . 1 1 77 77 PRO HB2 H 1 2.001 0.020 . 1 . . . . . . . . 4920 1 717 . 1 1 77 77 PRO HB3 H 1 2.043 0.020 . 1 . . . . . . . . 4920 1 718 . 1 1 77 77 PRO HG3 H 1 1.669 0.020 . 2 . . . . . . . . 4920 1 719 . 1 1 77 77 PRO HG2 H 1 2.420 0.020 . 2 . . . . . . . . 4920 1 720 . 1 1 77 77 PRO HD3 H 1 3.727 0.020 . 2 . . . . . . . . 4920 1 721 . 1 1 77 77 PRO HD2 H 1 4.081 0.020 . 2 . . . . . . . . 4920 1 722 . 1 1 77 77 PRO C C 13 177.400 0.100 . 1 . . . . . . . . 4920 1 723 . 1 1 78 78 ALA N N 15 118.600 0.100 . 1 . . . . . . . . 4920 1 724 . 1 1 78 78 ALA H H 1 7.564 0.020 . 1 . . . . . . . . 4920 1 725 . 1 1 78 78 ALA CA C 13 54.500 0.100 . 1 . . . . . . . . 4920 1 726 . 1 1 78 78 ALA HA H 1 4.047 0.020 . 1 . . . . . . . . 4920 1 727 . 1 1 78 78 ALA HB1 H 1 1.496 0.020 . 1 . . . . . . . . 4920 1 728 . 1 1 78 78 ALA HB2 H 1 1.496 0.020 . 1 . . . . . . . . 4920 1 729 . 1 1 78 78 ALA HB3 H 1 1.496 0.020 . 1 . . . . . . . . 4920 1 730 . 1 1 78 78 ALA C C 13 181.000 0.100 . 1 . . . . . . . . 4920 1 731 . 1 1 79 79 SER N N 15 116.300 0.100 . 1 . . . . . . . . 4920 1 732 . 1 1 79 79 SER H H 1 8.014 0.020 . 1 . . . . . . . . 4920 1 733 . 1 1 79 79 SER CA C 13 60.400 0.100 . 1 . . . . . . . . 4920 1 734 . 1 1 79 79 SER HA H 1 4.172 0.020 . 1 . . . . . . . . 4920 1 735 . 1 1 79 79 SER HB2 H 1 3.897 0.020 . 1 . . . . . . . . 4920 1 736 . 1 1 79 79 SER HB3 H 1 3.897 0.020 . 1 . . . . . . . . 4920 1 737 . 1 1 79 79 SER C C 13 177.200 0.100 . 1 . . . . . . . . 4920 1 738 . 1 1 80 80 GLU N N 15 125.800 0.100 . 1 . . . . . . . . 4920 1 739 . 1 1 80 80 GLU H H 1 8.197 0.020 . 1 . . . . . . . . 4920 1 740 . 1 1 80 80 GLU CA C 13 56.900 0.100 . 1 . . . . . . . . 4920 1 741 . 1 1 80 80 GLU HA H 1 4.289 0.020 . 1 . . . . . . . . 4920 1 742 . 1 1 80 80 GLU HB3 H 1 1.218 0.020 . 1 . . . . . . . . 4920 1 743 . 1 1 80 80 GLU HB2 H 1 1.412 0.020 . 1 . . . . . . . . 4920 1 744 . 1 1 80 80 GLU HG2 H 1 1.680 0.020 . 2 . . . . . . . . 4920 1 745 . 1 1 80 80 GLU HG3 H 1 1.826 0.020 . 2 . . . . . . . . 4920 1 746 . 1 1 80 80 GLU C C 13 178.400 0.100 . 1 . . . . . . . . 4920 1 747 . 1 1 81 81 LEU N N 15 121.600 0.100 . 1 . . . . . . . . 4920 1 748 . 1 1 81 81 LEU H H 1 8.387 0.020 . 1 . . . . . . . . 4920 1 749 . 1 1 81 81 LEU CA C 13 57.700 0.100 . 1 . . . . . . . . 4920 1 750 . 1 1 81 81 LEU HA H 1 3.759 0.020 . 1 . . . . . . . . 4920 1 751 . 1 1 81 81 LEU HB2 H 1 1.594 0.020 . 1 . . . . . . . . 4920 1 752 . 1 1 81 81 LEU HB3 H 1 1.777 0.020 . 1 . . . . . . . . 4920 1 753 . 1 1 81 81 LEU HG H 1 1.633 0.020 . 1 . . . . . . . . 4920 1 754 . 1 1 81 81 LEU HD11 H 1 0.792 0.020 . 2 . . . . . . . . 4920 1 755 . 1 1 81 81 LEU HD12 H 1 0.792 0.020 . 2 . . . . . . . . 4920 1 756 . 1 1 81 81 LEU HD13 H 1 0.792 0.020 . 2 . . . . . . . . 4920 1 757 . 1 1 81 81 LEU HD21 H 1 0.854 0.020 . 2 . . . . . . . . 4920 1 758 . 1 1 81 81 LEU HD22 H 1 0.854 0.020 . 2 . . . . . . . . 4920 1 759 . 1 1 81 81 LEU HD23 H 1 0.854 0.020 . 2 . . . . . . . . 4920 1 760 . 1 1 81 81 LEU C C 13 180.000 0.100 . 1 . . . . . . . . 4920 1 761 . 1 1 82 82 ALA N N 15 122.000 0.100 . 1 . . . . . . . . 4920 1 762 . 1 1 82 82 ALA H H 1 7.492 0.020 . 1 . . . . . . . . 4920 1 763 . 1 1 82 82 ALA CA C 13 54.200 0.100 . 1 . . . . . . . . 4920 1 764 . 1 1 82 82 ALA HA H 1 4.047 0.020 . 1 . . . . . . . . 4920 1 765 . 1 1 82 82 ALA HB1 H 1 1.465 0.020 . 1 . . . . . . . . 4920 1 766 . 1 1 82 82 ALA HB2 H 1 1.465 0.020 . 1 . . . . . . . . 4920 1 767 . 1 1 82 82 ALA HB3 H 1 1.465 0.020 . 1 . . . . . . . . 4920 1 768 . 1 1 82 82 ALA C C 13 179.600 0.100 . 1 . . . . . . . . 4920 1 769 . 1 1 83 83 ARG N N 15 119.500 0.100 . 1 . . . . . . . . 4920 1 770 . 1 1 83 83 ARG H H 1 7.864 0.020 . 1 . . . . . . . . 4920 1 771 . 1 1 83 83 ARG CA C 13 58.900 0.100 . 1 . . . . . . . . 4920 1 772 . 1 1 83 83 ARG HA H 1 3.934 0.020 . 1 . . . . . . . . 4920 1 773 . 1 1 83 83 ARG HB3 H 1 1.877 0.020 . 1 . . . . . . . . 4920 1 774 . 1 1 83 83 ARG HB2 H 1 1.956 0.020 . 1 . . . . . . . . 4920 1 775 . 1 1 83 83 ARG HG2 H 1 1.298 0.020 . 2 . . . . . . . . 4920 1 776 . 1 1 83 83 ARG HG3 H 1 1.631 0.020 . 2 . . . . . . . . 4920 1 777 . 1 1 83 83 ARG HD2 H 1 3.032 0.020 . 2 . . . . . . . . 4920 1 778 . 1 1 83 83 ARG HD3 H 1 3.393 0.020 . 2 . . . . . . . . 4920 1 779 . 1 1 83 83 ARG NE N 15 82.900 0.100 . 1 . . . . . . . . 4920 1 780 . 1 1 83 83 ARG HE H 1 8.122 0.020 . 1 . . . . . . . . 4920 1 781 . 1 1 83 83 ARG C C 13 179.700 0.100 . 1 . . . . . . . . 4920 1 782 . 1 1 84 84 ILE N N 15 119.000 0.100 . 1 . . . . . . . . 4920 1 783 . 1 1 84 84 ILE H H 1 8.709 0.020 . 1 . . . . . . . . 4920 1 784 . 1 1 84 84 ILE CA C 13 63.100 0.100 . 1 . . . . . . . . 4920 1 785 . 1 1 84 84 ILE HA H 1 3.641 0.020 . 1 . . . . . . . . 4920 1 786 . 1 1 84 84 ILE HB H 1 1.750 0.020 . 1 . . . . . . . . 4920 1 787 . 1 1 84 84 ILE HG21 H 1 0.891 0.020 . 1 . . . . . . . . 4920 1 788 . 1 1 84 84 ILE HG22 H 1 0.891 0.020 . 1 . . . . . . . . 4920 1 789 . 1 1 84 84 ILE HG23 H 1 0.891 0.020 . 1 . . . . . . . . 4920 1 790 . 1 1 84 84 ILE HG12 H 1 1.002 0.020 . 2 . . . . . . . . 4920 1 791 . 1 1 84 84 ILE HG13 H 1 1.634 0.020 . 2 . . . . . . . . 4920 1 792 . 1 1 84 84 ILE HD11 H 1 0.746 0.020 . 1 . . . . . . . . 4920 1 793 . 1 1 84 84 ILE HD12 H 1 0.746 0.020 . 1 . . . . . . . . 4920 1 794 . 1 1 84 84 ILE HD13 H 1 0.746 0.020 . 1 . . . . . . . . 4920 1 795 . 1 1 84 84 ILE C C 13 177.900 0.100 . 1 . . . . . . . . 4920 1 796 . 1 1 85 85 SER N N 15 115.500 0.100 . 1 . . . . . . . . 4920 1 797 . 1 1 85 85 SER H H 1 8.224 0.020 . 1 . . . . . . . . 4920 1 798 . 1 1 85 85 SER CA C 13 61.900 0.100 . 1 . . . . . . . . 4920 1 799 . 1 1 85 85 SER HA H 1 4.052 0.020 . 1 . . . . . . . . 4920 1 800 . 1 1 85 85 SER HB3 H 1 3.876 0.020 . 1 . . . . . . . . 4920 1 801 . 1 1 85 85 SER HB2 H 1 3.992 0.020 . 1 . . . . . . . . 4920 1 802 . 1 1 85 85 SER C C 13 176.200 0.100 . 1 . . . . . . . . 4920 1 803 . 1 1 86 86 LYS N N 15 119.500 0.100 . 1 . . . . . . . . 4920 1 804 . 1 1 86 86 LYS H H 1 7.234 0.020 . 1 . . . . . . . . 4920 1 805 . 1 1 86 86 LYS CA C 13 57.500 0.100 . 1 . . . . . . . . 4920 1 806 . 1 1 86 86 LYS HA H 1 4.160 0.020 . 1 . . . . . . . . 4920 1 807 . 1 1 86 86 LYS HB2 H 1 1.875 0.020 . 1 . . . . . . . . 4920 1 808 . 1 1 86 86 LYS HB3 H 1 1.875 0.020 . 1 . . . . . . . . 4920 1 809 . 1 1 86 86 LYS HG2 H 1 1.468 0.020 . 2 . . . . . . . . 4920 1 810 . 1 1 86 86 LYS HG3 H 1 1.551 0.020 . 2 . . . . . . . . 4920 1 811 . 1 1 86 86 LYS HD2 H 1 1.667 0.020 . 1 . . . . . . . . 4920 1 812 . 1 1 86 86 LYS HD3 H 1 1.667 0.020 . 1 . . . . . . . . 4920 1 813 . 1 1 86 86 LYS HE2 H 1 2.962 0.020 . 1 . . . . . . . . 4920 1 814 . 1 1 86 86 LYS HE3 H 1 2.962 0.020 . 1 . . . . . . . . 4920 1 815 . 1 1 86 86 LYS C C 13 178.700 0.100 . 1 . . . . . . . . 4920 1 816 . 1 1 87 87 LEU N N 15 120.000 0.100 . 1 . . . . . . . . 4920 1 817 . 1 1 87 87 LEU H H 1 7.550 0.020 . 1 . . . . . . . . 4920 1 818 . 1 1 87 87 LEU CA C 13 56.500 0.100 . 1 . . . . . . . . 4920 1 819 . 1 1 87 87 LEU HA H 1 4.093 0.020 . 1 . . . . . . . . 4920 1 820 . 1 1 87 87 LEU HB3 H 1 1.540 0.020 . 1 . . . . . . . . 4920 1 821 . 1 1 87 87 LEU HB2 H 1 1.974 0.020 . 1 . . . . . . . . 4920 1 822 . 1 1 87 87 LEU HG H 1 1.802 0.020 . 1 . . . . . . . . 4920 1 823 . 1 1 87 87 LEU HD11 H 1 0.856 0.020 . 1 . . . . . . . . 4920 1 824 . 1 1 87 87 LEU HD12 H 1 0.856 0.020 . 1 . . . . . . . . 4920 1 825 . 1 1 87 87 LEU HD13 H 1 0.856 0.020 . 1 . . . . . . . . 4920 1 826 . 1 1 87 87 LEU HD21 H 1 0.899 0.020 . 1 . . . . . . . . 4920 1 827 . 1 1 87 87 LEU HD22 H 1 0.899 0.020 . 1 . . . . . . . . 4920 1 828 . 1 1 87 87 LEU HD23 H 1 0.899 0.020 . 1 . . . . . . . . 4920 1 829 . 1 1 87 87 LEU C C 13 179.300 0.100 . 1 . . . . . . . . 4920 1 830 . 1 1 88 88 ILE N N 15 116.000 0.100 . 1 . . . . . . . . 4920 1 831 . 1 1 88 88 ILE H H 1 7.794 0.020 . 1 . . . . . . . . 4920 1 832 . 1 1 88 88 ILE CA C 13 63.100 0.100 . 1 . . . . . . . . 4920 1 833 . 1 1 88 88 ILE HA H 1 3.837 0.020 . 1 . . . . . . . . 4920 1 834 . 1 1 88 88 ILE HB H 1 1.891 0.020 . 1 . . . . . . . . 4920 1 835 . 1 1 88 88 ILE HG21 H 1 0.954 0.020 . 1 . . . . . . . . 4920 1 836 . 1 1 88 88 ILE HG22 H 1 0.954 0.020 . 1 . . . . . . . . 4920 1 837 . 1 1 88 88 ILE HG23 H 1 0.954 0.020 . 1 . . . . . . . . 4920 1 838 . 1 1 88 88 ILE HG12 H 1 1.274 0.020 . 2 . . . . . . . . 4920 1 839 . 1 1 88 88 ILE HG13 H 1 1.645 0.020 . 2 . . . . . . . . 4920 1 840 . 1 1 88 88 ILE HD11 H 1 0.803 0.020 . 1 . . . . . . . . 4920 1 841 . 1 1 88 88 ILE HD12 H 1 0.803 0.020 . 1 . . . . . . . . 4920 1 842 . 1 1 88 88 ILE HD13 H 1 0.803 0.020 . 1 . . . . . . . . 4920 1 843 . 1 1 88 88 ILE C C 13 175.900 0.100 . 1 . . . . . . . . 4920 1 844 . 1 1 89 89 GLU N N 15 118.800 0.100 . 1 . . . . . . . . 4920 1 845 . 1 1 89 89 GLU H H 1 7.318 0.020 . 1 . . . . . . . . 4920 1 846 . 1 1 89 89 GLU CA C 13 55.800 0.100 . 1 . . . . . . . . 4920 1 847 . 1 1 89 89 GLU HA H 1 4.260 0.020 . 1 . . . . . . . . 4920 1 848 . 1 1 89 89 GLU HB3 H 1 1.988 0.020 . 2 . . . . . . . . 4920 1 849 . 1 1 89 89 GLU HB2 H 1 2.173 0.020 . 2 . . . . . . . . 4920 1 850 . 1 1 89 89 GLU HG2 H 1 2.299 0.020 . 2 . . . . . . . . 4920 1 851 . 1 1 89 89 GLU HG3 H 1 2.475 0.020 . 2 . . . . . . . . 4920 1 852 . 1 1 89 89 GLU C C 13 177.000 0.100 . 1 . . . . . . . . 4920 1 853 . 1 1 90 90 ASN N N 15 118.400 0.100 . 1 . . . . . . . . 4920 1 854 . 1 1 90 90 ASN H H 1 7.733 0.020 . 1 . . . . . . . . 4920 1 855 . 1 1 90 90 ASN CA C 13 52.600 0.100 . 1 . . . . . . . . 4920 1 856 . 1 1 90 90 ASN HA H 1 4.644 0.020 . 1 . . . . . . . . 4920 1 857 . 1 1 90 90 ASN HB2 H 1 2.826 0.020 . 1 . . . . . . . . 4920 1 858 . 1 1 90 90 ASN HB3 H 1 2.826 0.020 . 1 . . . . . . . . 4920 1 859 . 1 1 90 90 ASN ND2 N 15 112.800 0.100 . 1 . . . . . . . . 4920 1 860 . 1 1 90 90 ASN HD21 H 1 7.503 0.020 . 1 . . . . . . . . 4920 1 861 . 1 1 90 90 ASN HD22 H 1 6.989 0.020 . 1 . . . . . . . . 4920 1 862 . 1 1 90 90 ASN C C 13 175.200 0.100 . 1 . . . . . . . . 4920 1 863 . 1 1 91 91 LYS N N 15 120.400 0.100 . 1 . . . . . . . . 4920 1 864 . 1 1 91 91 LYS H H 1 8.357 0.020 . 1 . . . . . . . . 4920 1 865 . 1 1 91 91 LYS CA C 13 56.500 0.100 . 1 . . . . . . . . 4920 1 866 . 1 1 91 91 LYS HA H 1 4.258 0.020 . 1 . . . . . . . . 4920 1 867 . 1 1 91 91 LYS HB2 H 1 1.696 0.020 . 1 . . . . . . . . 4920 1 868 . 1 1 91 91 LYS HB3 H 1 1.820 0.020 . 1 . . . . . . . . 4920 1 869 . 1 1 91 91 LYS HG2 H 1 1.412 0.020 . 2 . . . . . . . . 4920 1 870 . 1 1 91 91 LYS HG3 H 1 1.493 0.020 . 2 . . . . . . . . 4920 1 871 . 1 1 91 91 LYS HD2 H 1 1.661 0.020 . 1 . . . . . . . . 4920 1 872 . 1 1 91 91 LYS HD3 H 1 1.661 0.020 . 1 . . . . . . . . 4920 1 873 . 1 1 91 91 LYS HE2 H 1 3.007 0.020 . 1 . . . . . . . . 4920 1 874 . 1 1 91 91 LYS HE3 H 1 3.007 0.020 . 1 . . . . . . . . 4920 1 875 . 1 1 91 91 LYS C C 13 176.700 0.100 . 1 . . . . . . . . 4920 1 876 . 1 1 92 92 MET N N 15 120.200 0.100 . 1 . . . . . . . . 4920 1 877 . 1 1 92 92 MET H H 1 8.136 0.020 . 1 . . . . . . . . 4920 1 878 . 1 1 92 92 MET CA C 13 54.600 0.100 . 1 . . . . . . . . 4920 1 879 . 1 1 92 92 MET HA H 1 4.614 0.020 . 1 . . . . . . . . 4920 1 880 . 1 1 92 92 MET HB2 H 1 1.983 0.020 . 1 . . . . . . . . 4920 1 881 . 1 1 92 92 MET HB3 H 1 2.271 0.020 . 1 . . . . . . . . 4920 1 882 . 1 1 92 92 MET HG2 H 1 2.504 0.020 . 2 . . . . . . . . 4920 1 883 . 1 1 92 92 MET HG3 H 1 2.590 0.020 . 2 . . . . . . . . 4920 1 884 . 1 1 92 92 MET HE1 H 1 2.031 0.020 . 1 . . . . . . . . 4920 1 885 . 1 1 92 92 MET HE2 H 1 2.031 0.020 . 1 . . . . . . . . 4920 1 886 . 1 1 92 92 MET HE3 H 1 2.031 0.020 . 1 . . . . . . . . 4920 1 887 . 1 1 92 92 MET C C 13 175.400 0.100 . 1 . . . . . . . . 4920 1 888 . 1 1 93 93 SER N N 15 116.100 0.100 . 1 . . . . . . . . 4920 1 889 . 1 1 93 93 SER H H 1 8.425 0.020 . 1 . . . . . . . . 4920 1 890 . 1 1 93 93 SER CA C 13 57.400 0.100 . 1 . . . . . . . . 4920 1 891 . 1 1 93 93 SER HA H 1 4.416 0.020 . 1 . . . . . . . . 4920 1 892 . 1 1 93 93 SER HB3 H 1 3.988 0.020 . 1 . . . . . . . . 4920 1 893 . 1 1 93 93 SER HB2 H 1 4.157 0.020 . 1 . . . . . . . . 4920 1 894 . 1 1 93 93 SER C C 13 175.000 0.100 . 1 . . . . . . . . 4920 1 895 . 1 1 94 94 GLU N N 15 121.100 0.100 . 1 . . . . . . . . 4920 1 896 . 1 1 94 94 GLU H H 1 8.834 0.020 . 1 . . . . . . . . 4920 1 897 . 1 1 94 94 GLU CA C 13 58.400 0.100 . 1 . . . . . . . . 4920 1 898 . 1 1 94 94 GLU HA H 1 4.055 0.020 . 1 . . . . . . . . 4920 1 899 . 1 1 94 94 GLU HB2 H 1 2.098 0.020 . 1 . . . . . . . . 4920 1 900 . 1 1 94 94 GLU HB3 H 1 2.098 0.020 . 1 . . . . . . . . 4920 1 901 . 1 1 94 94 GLU HG2 H 1 2.407 0.020 . 1 . . . . . . . . 4920 1 902 . 1 1 94 94 GLU HG3 H 1 2.407 0.020 . 1 . . . . . . . . 4920 1 903 . 1 1 94 94 GLU C C 13 178.700 0.100 . 1 . . . . . . . . 4920 1 904 . 1 1 95 95 GLY N N 15 107.500 0.100 . 1 . . . . . . . . 4920 1 905 . 1 1 95 95 GLY H H 1 8.719 0.020 . 1 . . . . . . . . 4920 1 906 . 1 1 95 95 GLY CA C 13 46.900 0.100 . 1 . . . . . . . . 4920 1 907 . 1 1 95 95 GLY HA3 H 1 3.924 0.020 . 1 . . . . . . . . 4920 1 908 . 1 1 95 95 GLY HA2 H 1 3.966 0.020 . 1 . . . . . . . . 4920 1 909 . 1 1 95 95 GLY C C 13 176.200 0.100 . 1 . . . . . . . . 4920 1 910 . 1 1 96 96 LYS N N 15 122.200 0.100 . 1 . . . . . . . . 4920 1 911 . 1 1 96 96 LYS H H 1 7.649 0.020 . 1 . . . . . . . . 4920 1 912 . 1 1 96 96 LYS CA C 13 56.900 0.100 . 1 . . . . . . . . 4920 1 913 . 1 1 96 96 LYS HA H 1 4.326 0.020 . 1 . . . . . . . . 4920 1 914 . 1 1 96 96 LYS HB2 H 1 1.828 0.020 . 1 . . . . . . . . 4920 1 915 . 1 1 96 96 LYS HB3 H 1 1.937 0.020 . 1 . . . . . . . . 4920 1 916 . 1 1 96 96 LYS HG2 H 1 1.480 0.020 . 2 . . . . . . . . 4920 1 917 . 1 1 96 96 LYS HG3 H 1 1.520 0.020 . 2 . . . . . . . . 4920 1 918 . 1 1 96 96 LYS HD2 H 1 1.728 0.020 . 1 . . . . . . . . 4920 1 919 . 1 1 96 96 LYS HD3 H 1 1.728 0.020 . 1 . . . . . . . . 4920 1 920 . 1 1 96 96 LYS HE2 H 1 2.981 0.020 . 1 . . . . . . . . 4920 1 921 . 1 1 96 96 LYS HE3 H 1 2.981 0.020 . 1 . . . . . . . . 4920 1 922 . 1 1 96 96 LYS C C 13 178.300 0.100 . 1 . . . . . . . . 4920 1 923 . 1 1 97 97 LYS N N 15 121.500 0.100 . 1 . . . . . . . . 4920 1 924 . 1 1 97 97 LYS H H 1 8.122 0.020 . 1 . . . . . . . . 4920 1 925 . 1 1 97 97 LYS CA C 13 59.700 0.100 . 1 . . . . . . . . 4920 1 926 . 1 1 97 97 LYS HA H 1 3.947 0.020 . 1 . . . . . . . . 4920 1 927 . 1 1 97 97 LYS HB3 H 1 1.872 0.020 . 1 . . . . . . . . 4920 1 928 . 1 1 97 97 LYS HB2 H 1 1.934 0.020 . 1 . . . . . . . . 4920 1 929 . 1 1 97 97 LYS HG2 H 1 1.457 0.020 . 2 . . . . . . . . 4920 1 930 . 1 1 97 97 LYS HG3 H 1 1.492 0.020 . 2 . . . . . . . . 4920 1 931 . 1 1 97 97 LYS HD2 H 1 1.746 0.020 . 1 . . . . . . . . 4920 1 932 . 1 1 97 97 LYS HD3 H 1 1.746 0.020 . 1 . . . . . . . . 4920 1 933 . 1 1 97 97 LYS HE2 H 1 3.016 0.020 . 1 . . . . . . . . 4920 1 934 . 1 1 97 97 LYS HE3 H 1 3.016 0.020 . 1 . . . . . . . . 4920 1 935 . 1 1 97 97 LYS C C 13 178.500 0.100 . 1 . . . . . . . . 4920 1 936 . 1 1 98 98 GLU N N 15 118.400 0.100 . 1 . . . . . . . . 4920 1 937 . 1 1 98 98 GLU H H 1 8.376 0.020 . 1 . . . . . . . . 4920 1 938 . 1 1 98 98 GLU CA C 13 58.600 0.100 . 1 . . . . . . . . 4920 1 939 . 1 1 98 98 GLU HA H 1 4.073 0.020 . 1 . . . . . . . . 4920 1 940 . 1 1 98 98 GLU HB3 H 1 2.085 0.020 . 2 . . . . . . . . 4920 1 941 . 1 1 98 98 GLU HB2 H 1 2.171 0.020 . 2 . . . . . . . . 4920 1 942 . 1 1 98 98 GLU HG2 H 1 2.325 0.020 . 2 . . . . . . . . 4920 1 943 . 1 1 98 98 GLU HG3 H 1 2.409 0.020 . 2 . . . . . . . . 4920 1 944 . 1 1 98 98 GLU C C 13 179.800 0.100 . 1 . . . . . . . . 4920 1 945 . 1 1 99 99 GLU N N 15 119.800 0.100 . 1 . . . . . . . . 4920 1 946 . 1 1 99 99 GLU H H 1 7.695 0.020 . 1 . . . . . . . . 4920 1 947 . 1 1 99 99 GLU CA C 13 59.000 0.100 . 1 . . . . . . . . 4920 1 948 . 1 1 99 99 GLU HA H 1 4.153 0.020 . 1 . . . . . . . . 4920 1 949 . 1 1 99 99 GLU HB2 H 1 2.299 0.020 . 1 . . . . . . . . 4920 1 950 . 1 1 99 99 GLU HB3 H 1 2.366 0.020 . 1 . . . . . . . . 4920 1 951 . 1 1 99 99 GLU HG2 H 1 2.564 0.020 . 2 . . . . . . . . 4920 1 952 . 1 1 99 99 GLU HG3 H 1 2.662 0.020 . 2 . . . . . . . . 4920 1 953 . 1 1 99 99 GLU C C 13 179.600 0.100 . 1 . . . . . . . . 4920 1 954 . 1 1 100 100 LEU N N 15 121.000 0.100 . 1 . . . . . . . . 4920 1 955 . 1 1 100 100 LEU H H 1 8.029 0.020 . 1 . . . . . . . . 4920 1 956 . 1 1 100 100 LEU CA C 13 57.100 0.100 . 1 . . . . . . . . 4920 1 957 . 1 1 100 100 LEU HA H 1 4.129 0.020 . 1 . . . . . . . . 4920 1 958 . 1 1 100 100 LEU HB2 H 1 1.299 0.020 . 1 . . . . . . . . 4920 1 959 . 1 1 100 100 LEU HB3 H 1 1.829 0.020 . 1 . . . . . . . . 4920 1 960 . 1 1 100 100 LEU HG H 1 1.885 0.020 . 1 . . . . . . . . 4920 1 961 . 1 1 100 100 LEU HD11 H 1 0.855 0.020 . 1 . . . . . . . . 4920 1 962 . 1 1 100 100 LEU HD12 H 1 0.855 0.020 . 1 . . . . . . . . 4920 1 963 . 1 1 100 100 LEU HD13 H 1 0.855 0.020 . 1 . . . . . . . . 4920 1 964 . 1 1 100 100 LEU HD21 H 1 0.901 0.020 . 1 . . . . . . . . 4920 1 965 . 1 1 100 100 LEU HD22 H 1 0.901 0.020 . 1 . . . . . . . . 4920 1 966 . 1 1 100 100 LEU HD23 H 1 0.901 0.020 . 1 . . . . . . . . 4920 1 967 . 1 1 100 100 LEU C C 13 179.000 0.100 . 1 . . . . . . . . 4920 1 968 . 1 1 101 101 GLN N N 15 119.700 0.100 . 1 . . . . . . . . 4920 1 969 . 1 1 101 101 GLN H H 1 8.668 0.020 . 1 . . . . . . . . 4920 1 970 . 1 1 101 101 GLN CA C 13 57.900 0.100 . 1 . . . . . . . . 4920 1 971 . 1 1 101 101 GLN HA H 1 3.815 0.020 . 1 . . . . . . . . 4920 1 972 . 1 1 101 101 GLN HB3 H 1 2.064 0.020 . 1 . . . . . . . . 4920 1 973 . 1 1 101 101 GLN HB2 H 1 2.216 0.020 . 1 . . . . . . . . 4920 1 974 . 1 1 101 101 GLN HG2 H 1 2.341 0.020 . 1 . . . . . . . . 4920 1 975 . 1 1 101 101 GLN HG3 H 1 2.341 0.020 . 1 . . . . . . . . 4920 1 976 . 1 1 101 101 GLN NE2 N 15 110.500 0.100 . 1 . . . . . . . . 4920 1 977 . 1 1 101 101 GLN HE21 H 1 7.240 0.020 . 1 . . . . . . . . 4920 1 978 . 1 1 101 101 GLN HE22 H 1 6.786 0.020 . 1 . . . . . . . . 4920 1 979 . 1 1 101 101 GLN C C 13 178.800 0.100 . 1 . . . . . . . . 4920 1 980 . 1 1 102 102 ARG N N 15 119.000 0.100 . 1 . . . . . . . . 4920 1 981 . 1 1 102 102 ARG H H 1 7.941 0.020 . 1 . . . . . . . . 4920 1 982 . 1 1 102 102 ARG CA C 13 59.200 0.100 . 1 . . . . . . . . 4920 1 983 . 1 1 102 102 ARG HA H 1 3.895 0.020 . 1 . . . . . . . . 4920 1 984 . 1 1 102 102 ARG HB3 H 1 1.142 0.020 . 1 . . . . . . . . 4920 1 985 . 1 1 102 102 ARG HB2 H 1 1.722 0.020 . 1 . . . . . . . . 4920 1 986 . 1 1 102 102 ARG HG2 H 1 0.962 0.020 . 2 . . . . . . . . 4920 1 987 . 1 1 102 102 ARG HG3 H 1 1.574 0.020 . 2 . . . . . . . . 4920 1 988 . 1 1 102 102 ARG HD2 H 1 2.005 0.020 . 2 . . . . . . . . 4920 1 989 . 1 1 102 102 ARG HD3 H 1 2.416 0.020 . 2 . . . . . . . . 4920 1 990 . 1 1 102 102 ARG NE N 15 86.200 0.100 . 1 . . . . . . . . 4920 1 991 . 1 1 102 102 ARG HE H 1 7.190 0.020 . 1 . . . . . . . . 4920 1 992 . 1 1 102 102 ARG NH2 N 15 71.600 0.100 . 1 . . . . . . . . 4920 1 993 . 1 1 102 102 ARG HH21 H 1 6.394 0.020 . 1 . . . . . . . . 4920 1 994 . 1 1 102 102 ARG HH22 H 1 6.394 0.020 . 1 . . . . . . . . 4920 1 995 . 1 1 102 102 ARG C C 13 178.500 0.100 . 1 . . . . . . . . 4920 1 996 . 1 1 103 103 SER N N 15 115.100 0.100 . 1 . . . . . . . . 4920 1 997 . 1 1 103 103 SER H H 1 7.828 0.020 . 1 . . . . . . . . 4920 1 998 . 1 1 103 103 SER CA C 13 59.900 0.100 . 1 . . . . . . . . 4920 1 999 . 1 1 103 103 SER HA H 1 4.247 0.020 . 1 . . . . . . . . 4920 1 1000 . 1 1 103 103 SER HB2 H 1 3.954 0.020 . 1 . . . . . . . . 4920 1 1001 . 1 1 103 103 SER HB3 H 1 3.954 0.020 . 1 . . . . . . . . 4920 1 1002 . 1 1 103 103 SER C C 13 176.300 0.100 . 1 . . . . . . . . 4920 1 1003 . 1 1 104 104 LEU N N 15 123.100 0.100 . 1 . . . . . . . . 4920 1 1004 . 1 1 104 104 LEU H H 1 8.162 0.020 . 1 . . . . . . . . 4920 1 1005 . 1 1 104 104 LEU CA C 13 57.600 0.100 . 1 . . . . . . . . 4920 1 1006 . 1 1 104 104 LEU HA H 1 3.926 0.020 . 1 . . . . . . . . 4920 1 1007 . 1 1 104 104 LEU HB3 H 1 1.560 0.020 . 1 . . . . . . . . 4920 1 1008 . 1 1 104 104 LEU HB2 H 1 1.936 0.020 . 1 . . . . . . . . 4920 1 1009 . 1 1 104 104 LEU HG H 1 1.715 0.020 . 1 . . . . . . . . 4920 1 1010 . 1 1 104 104 LEU HD11 H 1 0.810 0.020 . 1 . . . . . . . . 4920 1 1011 . 1 1 104 104 LEU HD12 H 1 0.810 0.020 . 1 . . . . . . . . 4920 1 1012 . 1 1 104 104 LEU HD13 H 1 0.810 0.020 . 1 . . . . . . . . 4920 1 1013 . 1 1 104 104 LEU HD21 H 1 0.810 0.020 . 1 . . . . . . . . 4920 1 1014 . 1 1 104 104 LEU HD22 H 1 0.810 0.020 . 1 . . . . . . . . 4920 1 1015 . 1 1 104 104 LEU HD23 H 1 0.810 0.020 . 1 . . . . . . . . 4920 1 1016 . 1 1 104 104 LEU C C 13 179.000 0.100 . 1 . . . . . . . . 4920 1 1017 . 1 1 105 105 ASN N N 15 120.300 0.100 . 1 . . . . . . . . 4920 1 1018 . 1 1 105 105 ASN H H 1 8.194 0.020 . 1 . . . . . . . . 4920 1 1019 . 1 1 105 105 ASN CA C 13 55.200 0.100 . 1 . . . . . . . . 4920 1 1020 . 1 1 105 105 ASN HA H 1 4.242 0.020 . 1 . . . . . . . . 4920 1 1021 . 1 1 105 105 ASN HB3 H 1 2.710 0.020 . 1 . . . . . . . . 4920 1 1022 . 1 1 105 105 ASN HB2 H 1 3.100 0.020 . 1 . . . . . . . . 4920 1 1023 . 1 1 105 105 ASN ND2 N 15 111.100 0.100 . 1 . . . . . . . . 4920 1 1024 . 1 1 105 105 ASN HD21 H 1 8.069 0.020 . 1 . . . . . . . . 4920 1 1025 . 1 1 105 105 ASN HD22 H 1 7.131 0.020 . 1 . . . . . . . . 4920 1 1026 . 1 1 105 105 ASN C C 13 178.400 0.100 . 1 . . . . . . . . 4920 1 1027 . 1 1 106 106 ILE N N 15 123.600 0.100 . 1 . . . . . . . . 4920 1 1028 . 1 1 106 106 ILE H H 1 7.959 0.020 . 1 . . . . . . . . 4920 1 1029 . 1 1 106 106 ILE CA C 13 65.300 0.100 . 1 . . . . . . . . 4920 1 1030 . 1 1 106 106 ILE HA H 1 3.407 0.020 . 1 . . . . . . . . 4920 1 1031 . 1 1 106 106 ILE HB H 1 1.651 0.020 . 1 . . . . . . . . 4920 1 1032 . 1 1 106 106 ILE HG21 H 1 -0.018 0.020 . 1 . . . . . . . . 4920 1 1033 . 1 1 106 106 ILE HG22 H 1 -0.018 0.020 . 1 . . . . . . . . 4920 1 1034 . 1 1 106 106 ILE HG23 H 1 -0.018 0.020 . 1 . . . . . . . . 4920 1 1035 . 1 1 106 106 ILE HG12 H 1 0.791 0.020 . 2 . . . . . . . . 4920 1 1036 . 1 1 106 106 ILE HG13 H 1 1.642 0.020 . 2 . . . . . . . . 4920 1 1037 . 1 1 106 106 ILE HD11 H 1 0.962 0.020 . 1 . . . . . . . . 4920 1 1038 . 1 1 106 106 ILE HD12 H 1 0.962 0.020 . 1 . . . . . . . . 4920 1 1039 . 1 1 106 106 ILE HD13 H 1 0.962 0.020 . 1 . . . . . . . . 4920 1 1040 . 1 1 106 106 ILE C C 13 177.700 0.100 . 1 . . . . . . . . 4920 1 1041 . 1 1 107 107 LEU N N 15 118.500 0.100 . 1 . . . . . . . . 4920 1 1042 . 1 1 107 107 LEU H H 1 7.933 0.020 . 1 . . . . . . . . 4920 1 1043 . 1 1 107 107 LEU CA C 13 58.000 0.100 . 1 . . . . . . . . 4920 1 1044 . 1 1 107 107 LEU HA H 1 4.050 0.020 . 1 . . . . . . . . 4920 1 1045 . 1 1 107 107 LEU HB3 H 1 1.350 0.020 . 1 . . . . . . . . 4920 1 1046 . 1 1 107 107 LEU HB2 H 1 2.075 0.020 . 1 . . . . . . . . 4920 1 1047 . 1 1 107 107 LEU HG H 1 1.689 0.020 . 1 . . . . . . . . 4920 1 1048 . 1 1 107 107 LEU HD11 H 1 0.755 0.020 . 1 . . . . . . . . 4920 1 1049 . 1 1 107 107 LEU HD12 H 1 0.755 0.020 . 1 . . . . . . . . 4920 1 1050 . 1 1 107 107 LEU HD13 H 1 0.755 0.020 . 1 . . . . . . . . 4920 1 1051 . 1 1 107 107 LEU HD21 H 1 0.824 0.020 . 1 . . . . . . . . 4920 1 1052 . 1 1 107 107 LEU HD22 H 1 0.824 0.020 . 1 . . . . . . . . 4920 1 1053 . 1 1 107 107 LEU HD23 H 1 0.824 0.020 . 1 . . . . . . . . 4920 1 1054 . 1 1 107 107 LEU C C 13 180.500 0.100 . 1 . . . . . . . . 4920 1 1055 . 1 1 108 108 THR N N 15 112.500 0.100 . 1 . . . . . . . . 4920 1 1056 . 1 1 108 108 THR H H 1 7.983 0.020 . 1 . . . . . . . . 4920 1 1057 . 1 1 108 108 THR CA C 13 65.300 0.100 . 1 . . . . . . . . 4920 1 1058 . 1 1 108 108 THR HA H 1 3.882 0.020 . 1 . . . . . . . . 4920 1 1059 . 1 1 108 108 THR HB H 1 4.376 0.020 . 1 . . . . . . . . 4920 1 1060 . 1 1 108 108 THR HG21 H 1 1.321 0.020 . 1 . . . . . . . . 4920 1 1061 . 1 1 108 108 THR HG22 H 1 1.321 0.020 . 1 . . . . . . . . 4920 1 1062 . 1 1 108 108 THR HG23 H 1 1.321 0.020 . 1 . . . . . . . . 4920 1 1063 . 1 1 108 108 THR C C 13 175.700 0.100 . 1 . . . . . . . . 4920 1 1064 . 1 1 109 109 ALA N N 15 124.200 0.100 . 1 . . . . . . . . 4920 1 1065 . 1 1 109 109 ALA H H 1 7.814 0.020 . 1 . . . . . . . . 4920 1 1066 . 1 1 109 109 ALA CA C 13 53.300 0.100 . 1 . . . . . . . . 4920 1 1067 . 1 1 109 109 ALA HA H 1 4.154 0.020 . 1 . . . . . . . . 4920 1 1068 . 1 1 109 109 ALA HB1 H 1 1.608 0.020 . 1 . . . . . . . . 4920 1 1069 . 1 1 109 109 ALA HB2 H 1 1.608 0.020 . 1 . . . . . . . . 4920 1 1070 . 1 1 109 109 ALA HB3 H 1 1.608 0.020 . 1 . . . . . . . . 4920 1 1071 . 1 1 109 109 ALA C C 13 178.100 0.100 . 1 . . . . . . . . 4920 1 1072 . 1 1 110 110 PHE N N 15 114.300 0.100 . 1 . . . . . . . . 4920 1 1073 . 1 1 110 110 PHE H H 1 7.804 0.020 . 1 . . . . . . . . 4920 1 1074 . 1 1 110 110 PHE CA C 13 57.100 0.100 . 1 . . . . . . . . 4920 1 1075 . 1 1 110 110 PHE HA H 1 4.334 0.020 . 1 . . . . . . . . 4920 1 1076 . 1 1 110 110 PHE HB2 H 1 3.106 0.020 . 1 . . . . . . . . 4920 1 1077 . 1 1 110 110 PHE HB3 H 1 3.372 0.020 . 1 . . . . . . . . 4920 1 1078 . 1 1 110 110 PHE HD1 H 1 7.494 0.020 . 1 . . . . . . . . 4920 1 1079 . 1 1 110 110 PHE HD2 H 1 7.494 0.020 . 1 . . . . . . . . 4920 1 1080 . 1 1 110 110 PHE HE1 H 1 7.026 0.020 . 1 . . . . . . . . 4920 1 1081 . 1 1 110 110 PHE HE2 H 1 7.026 0.020 . 1 . . . . . . . . 4920 1 1082 . 1 1 110 110 PHE HZ H 1 7.533 0.020 . 1 . . . . . . . . 4920 1 1083 . 1 1 110 110 PHE C C 13 174.000 0.100 . 1 . . . . . . . . 4920 1 1084 . 1 1 111 111 ARG N N 15 119.800 0.100 . 1 . . . . . . . . 4920 1 1085 . 1 1 111 111 ARG H H 1 7.317 0.020 . 1 . . . . . . . . 4920 1 1086 . 1 1 111 111 ARG CA C 13 55.000 0.100 . 1 . . . . . . . . 4920 1 1087 . 1 1 111 111 ARG HA H 1 4.437 0.020 . 1 . . . . . . . . 4920 1 1088 . 1 1 111 111 ARG HB2 H 1 1.811 0.020 . 2 . . . . . . . . 4920 1 1089 . 1 1 111 111 ARG HB3 H 1 1.907 0.020 . 2 . . . . . . . . 4920 1 1090 . 1 1 111 111 ARG HG2 H 1 1.684 0.020 . 1 . . . . . . . . 4920 1 1091 . 1 1 111 111 ARG HG3 H 1 1.684 0.020 . 1 . . . . . . . . 4920 1 1092 . 1 1 111 111 ARG HD2 H 1 3.144 0.020 . 1 . . . . . . . . 4920 1 1093 . 1 1 111 111 ARG HD3 H 1 3.144 0.020 . 1 . . . . . . . . 4920 1 1094 . 1 1 111 111 ARG NE N 15 84.900 0.100 . 1 . . . . . . . . 4920 1 1095 . 1 1 111 111 ARG HE H 1 7.201 0.020 . 1 . . . . . . . . 4920 1 1096 . 1 1 111 111 ARG C C 13 175.600 0.100 . 1 . . . . . . . . 4920 1 1097 . 1 1 112 112 LYS N N 15 124.300 0.100 . 1 . . . . . . . . 4920 1 1098 . 1 1 112 112 LYS H H 1 8.548 0.020 . 1 . . . . . . . . 4920 1 1099 . 1 1 112 112 LYS CA C 13 56.000 0.100 . 1 . . . . . . . . 4920 1 1100 . 1 1 112 112 LYS HA H 1 4.244 0.020 . 1 . . . . . . . . 4920 1 1101 . 1 1 112 112 LYS HB2 H 1 1.751 0.020 . 2 . . . . . . . . 4920 1 1102 . 1 1 112 112 LYS HB3 H 1 1.878 0.020 . 2 . . . . . . . . 4920 1 1103 . 1 1 112 112 LYS HG2 H 1 1.439 0.020 . 2 . . . . . . . . 4920 1 1104 . 1 1 112 112 LYS HG3 H 1 1.546 0.020 . 2 . . . . . . . . 4920 1 1105 . 1 1 112 112 LYS HD2 H 1 1.684 0.020 . 1 . . . . . . . . 4920 1 1106 . 1 1 112 112 LYS HD3 H 1 1.684 0.020 . 1 . . . . . . . . 4920 1 1107 . 1 1 112 112 LYS HE2 H 1 3.027 0.020 . 1 . . . . . . . . 4920 1 1108 . 1 1 112 112 LYS HE3 H 1 3.027 0.020 . 1 . . . . . . . . 4920 1 1109 . 1 1 112 112 LYS C C 13 176.800 0.100 . 1 . . . . . . . . 4920 1 1110 . 1 1 113 113 LYS N N 15 124.200 0.100 . 1 . . . . . . . . 4920 1 1111 . 1 1 113 113 LYS H H 1 8.703 0.020 . 1 . . . . . . . . 4920 1 1112 . 1 1 113 113 LYS CA C 13 56.100 0.100 . 1 . . . . . . . . 4920 1 1113 . 1 1 113 113 LYS HA H 1 4.247 0.020 . 1 . . . . . . . . 4920 1 1114 . 1 1 113 113 LYS HB3 H 1 1.676 0.020 . 2 . . . . . . . . 4920 1 1115 . 1 1 113 113 LYS HB2 H 1 1.803 0.020 . 2 . . . . . . . . 4920 1 1116 . 1 1 113 113 LYS HG2 H 1 1.436 0.020 . 2 . . . . . . . . 4920 1 1117 . 1 1 113 113 LYS HG3 H 1 1.485 0.020 . 2 . . . . . . . . 4920 1 1118 . 1 1 113 113 LYS HD2 H 1 1.702 0.020 . 1 . . . . . . . . 4920 1 1119 . 1 1 113 113 LYS HD3 H 1 1.702 0.020 . 1 . . . . . . . . 4920 1 1120 . 1 1 113 113 LYS HE2 H 1 3.000 0.020 . 1 . . . . . . . . 4920 1 1121 . 1 1 113 113 LYS HE3 H 1 3.000 0.020 . 1 . . . . . . . . 4920 1 1122 . 1 1 113 113 LYS C C 13 177.300 0.100 . 1 . . . . . . . . 4920 1 1123 . 1 1 114 114 GLY N N 15 110.700 0.100 . 1 . . . . . . . . 4920 1 1124 . 1 1 114 114 GLY H H 1 8.546 0.020 . 1 . . . . . . . . 4920 1 1125 . 1 1 114 114 GLY CA C 13 44.400 0.100 . 1 . . . . . . . . 4920 1 1126 . 1 1 114 114 GLY HA2 H 1 3.934 0.020 . 2 . . . . . . . . 4920 1 1127 . 1 1 114 114 GLY HA3 H 1 3.971 0.020 . 2 . . . . . . . . 4920 1 1128 . 1 1 114 114 GLY C C 13 174.000 0.100 . 1 . . . . . . . . 4920 1 1129 . 1 1 115 115 ALA N N 15 124.000 0.100 . 1 . . . . . . . . 4920 1 1130 . 1 1 115 115 ALA H H 1 8.165 0.020 . 1 . . . . . . . . 4920 1 1131 . 1 1 115 115 ALA CA C 13 51.800 0.100 . 1 . . . . . . . . 4920 1 1132 . 1 1 115 115 ALA HA H 1 4.309 0.020 . 1 . . . . . . . . 4920 1 1133 . 1 1 115 115 ALA HB1 H 1 1.381 0.020 . 1 . . . . . . . . 4920 1 1134 . 1 1 115 115 ALA HB2 H 1 1.381 0.020 . 1 . . . . . . . . 4920 1 1135 . 1 1 115 115 ALA HB3 H 1 1.381 0.020 . 1 . . . . . . . . 4920 1 1136 . 1 1 115 115 ALA C C 13 177.900 0.100 . 1 . . . . . . . . 4920 1 1137 . 1 1 116 116 GLU N N 15 119.500 0.100 . 1 . . . . . . . . 4920 1 1138 . 1 1 116 116 GLU H H 1 8.406 0.020 . 1 . . . . . . . . 4920 1 1139 . 1 1 116 116 GLU CA C 13 55.800 0.100 . 1 . . . . . . . . 4920 1 1140 . 1 1 116 116 GLU HA H 1 4.251 0.020 . 1 . . . . . . . . 4920 1 1141 . 1 1 116 116 GLU HB2 H 1 1.946 0.020 . 2 . . . . . . . . 4920 1 1142 . 1 1 116 116 GLU HB3 H 1 2.028 0.020 . 2 . . . . . . . . 4920 1 1143 . 1 1 116 116 GLU HG2 H 1 2.248 0.020 . 2 . . . . . . . . 4920 1 1144 . 1 1 116 116 GLU HG3 H 1 2.288 0.020 . 2 . . . . . . . . 4920 1 1145 . 1 1 116 116 GLU C C 13 176.500 0.100 . 1 . . . . . . . . 4920 1 1146 . 1 1 117 117 LYS N N 15 122.000 0.100 . 1 . . . . . . . . 4920 1 1147 . 1 1 117 117 LYS H H 1 8.254 0.020 . 1 . . . . . . . . 4920 1 1148 . 1 1 117 117 LYS CA C 13 55.900 0.100 . 1 . . . . . . . . 4920 1 1149 . 1 1 117 117 LYS HA H 1 4.266 0.020 . 1 . . . . . . . . 4920 1 1150 . 1 1 117 117 LYS HB2 H 1 1.755 0.020 . 2 . . . . . . . . 4920 1 1151 . 1 1 117 117 LYS HB3 H 1 1.828 0.020 . 2 . . . . . . . . 4920 1 1152 . 1 1 117 117 LYS HG2 H 1 1.398 0.020 . 2 . . . . . . . . 4920 1 1153 . 1 1 117 117 LYS HG3 H 1 1.425 0.020 . 2 . . . . . . . . 4920 1 1154 . 1 1 117 117 LYS HD2 H 1 1.674 0.020 . 1 . . . . . . . . 4920 1 1155 . 1 1 117 117 LYS HD3 H 1 1.674 0.020 . 1 . . . . . . . . 4920 1 1156 . 1 1 117 117 LYS HE2 H 1 2.995 0.020 . 1 . . . . . . . . 4920 1 1157 . 1 1 117 117 LYS HE3 H 1 2.995 0.020 . 1 . . . . . . . . 4920 1 1158 . 1 1 117 117 LYS C C 13 176.200 0.100 . 1 . . . . . . . . 4920 1 1159 . 1 1 118 118 GLU N N 15 122.000 0.100 . 1 . . . . . . . . 4920 1 1160 . 1 1 118 118 GLU H H 1 8.331 0.020 . 1 . . . . . . . . 4920 1 1161 . 1 1 118 118 GLU CA C 13 55.800 0.100 . 1 . . . . . . . . 4920 1 1162 . 1 1 118 118 GLU HA H 1 4.276 0.020 . 1 . . . . . . . . 4920 1 1163 . 1 1 118 118 GLU HB2 H 1 1.921 0.020 . 2 . . . . . . . . 4920 1 1164 . 1 1 118 118 GLU HB3 H 1 1.998 0.020 . 2 . . . . . . . . 4920 1 1165 . 1 1 118 118 GLU HG2 H 1 2.202 0.020 . 2 . . . . . . . . 4920 1 1166 . 1 1 118 118 GLU HG3 H 1 2.243 0.020 . 2 . . . . . . . . 4920 1 1167 . 1 1 118 118 GLU C C 13 176.000 0.100 . 1 . . . . . . . . 4920 1 1168 . 1 1 119 119 GLU N N 15 122.400 0.100 . 1 . . . . . . . . 4920 1 1169 . 1 1 119 119 GLU H H 1 8.290 0.020 . 1 . . . . . . . . 4920 1 1170 . 1 1 119 119 GLU CA C 13 56.000 0.100 . 1 . . . . . . . . 4920 1 1171 . 1 1 119 119 GLU HA H 1 4.321 0.020 . 1 . . . . . . . . 4920 1 1172 . 1 1 119 119 GLU HB3 H 1 1.886 0.020 . 2 . . . . . . . . 4920 1 1173 . 1 1 119 119 GLU HB2 H 1 2.022 0.020 . 2 . . . . . . . . 4920 1 1174 . 1 1 119 119 GLU HG2 H 1 2.207 0.020 . 2 . . . . . . . . 4920 1 1175 . 1 1 119 119 GLU HG3 H 1 2.248 0.020 . 2 . . . . . . . . 4920 1 1176 . 1 1 119 119 GLU C C 13 175.200 0.100 . 1 . . . . . . . . 4920 1 1177 . 1 1 120 120 LEU N N 15 129.000 0.100 . 1 . . . . . . . . 4920 1 1178 . 1 1 120 120 LEU H H 1 7.876 0.020 . 1 . . . . . . . . 4920 1 1179 . 1 1 120 120 LEU CA C 13 56.000 0.100 . 1 . . . . . . . . 4920 1 1180 . 1 1 120 120 LEU HA H 1 4.162 0.020 . 1 . . . . . . . . 4920 1 1181 . 1 1 120 120 LEU HB2 H 1 1.540 0.020 . 2 . . . . . . . . 4920 1 1182 . 1 1 120 120 LEU HB3 H 1 1.578 0.020 . 2 . . . . . . . . 4920 1 1183 . 1 1 120 120 LEU HG H 1 1.554 0.020 . 1 . . . . . . . . 4920 1 1184 . 1 1 120 120 LEU HD11 H 1 0.806 0.020 . 2 . . . . . . . . 4920 1 1185 . 1 1 120 120 LEU HD12 H 1 0.806 0.020 . 2 . . . . . . . . 4920 1 1186 . 1 1 120 120 LEU HD13 H 1 0.806 0.020 . 2 . . . . . . . . 4920 1 1187 . 1 1 120 120 LEU HD21 H 1 0.857 0.020 . 2 . . . . . . . . 4920 1 1188 . 1 1 120 120 LEU HD22 H 1 0.857 0.020 . 2 . . . . . . . . 4920 1 1189 . 1 1 120 120 LEU HD23 H 1 0.857 0.020 . 2 . . . . . . . . 4920 1 stop_ save_