data_16670 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16670 _Entry.Title ; NMR structure of the apoptosis- and inflammation-related NALP1 pyrin domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-08 _Entry.Accession_date 2010-01-08 _Entry.Last_release_date 2010-01-19 _Entry.Original_release_date 2010-01-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sebastian Hiller . . . 16670 2 Andreas Kohl . . . 16670 3 Francesco Fiorito . . . 16670 4 Torsten Herrmann . . . 16670 5 Gerhard Wider . . . 16670 6 Jurg Tschopp . . . 16670 7 Markus Grutter . G. . 16670 8 Kurt Wuthrich . . . 16670 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16670 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 16670 '15N chemical shifts' 102 16670 '1H chemical shifts' 600 16670 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 . . 2010-01-19 2010-01-08 original author . 16670 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1PN5 . 16670 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16670 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14527388 _Citation.Full_citation . _Citation.Title 'NMR structure of the apoptosis- and inflammation-related NALP1 pyrin domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 10 _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 1190 _Citation.Page_last 1205 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sebastian Hiller . . . 16670 1 2 Andreas Kohl . . . 16670 1 3 Francesco Fiorito . . . 16670 1 4 Torsten Herrmann . . . 16670 1 5 Gerhard Wider . . . 16670 1 6 Jurg Tschopp . . . 16670 1 7 Markus Grutter . G. . 16670 1 8 Kurt Wuthrich . . . 16670 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16670 _Assembly.ID 1 _Assembly.Name NALP1_PYD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NALP1_PYD 1 $NALP1_PYD A . yes native no no . . . 16670 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 yes PDB 1PN5 . . . . . . 16670 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NALP1_PYD _Entity.Sf_category entity _Entity.Sf_framecode NALP1_PYD _Entity.Entry_ID 16670 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NALP1_PYD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details ; MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTEGSMA GGAWGRLACYLEFLKKEELK EFQLLLANKAHSRSSSGETP AQPEKTSGMEVASYLVAQYG EQRAWDLALHTWEQMGLRSL CAQAQEGAGHSLEHHHHHH ; _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAGGAWGRLACYLEFLKKEE LKEFQLLLANKAHSRSSSGE TPAQPEKTSGMEVASYLVAQ YGEQRAWDLALHTWEQMGLR SLCAQAQEGAGHSLEHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 1PN5 . . . . . . . . . . . . . . . . 16670 1 2 yes SWS Q9C000 . . . . . . . . . . . . . . . . 16670 1 3 yes UNP Q9C000 . . . . . . . . . . . . . . . . 16670 1 4 no PDB 1PN5 . "Nmr Structure Of The Nalp1 Pyrin Domain (Pyd)" . . . . . 100.00 159 100.00 100.00 1.25e-62 . . . . 16670 1 5 no DBJ BAA76770 . "KIAA0926 protein [Homo sapiens]" . . . . . 95.88 1429 100.00 100.00 2.67e-53 . . . . 16670 1 6 no DBJ BAG11260 . "NACHT, LRR and PYD domains-containing protein 1 [synthetic construct]" . . . . . 95.88 1429 100.00 100.00 2.67e-53 . . . . 16670 1 7 no GB AAG15254 . "caspase recruitment domain protein 7 [Homo sapiens]" . . . . . 95.88 1429 100.00 100.00 2.89e-53 . . . . 16670 1 8 no GB AAG30288 . "NALP1 [Homo sapiens]" . . . . . 95.88 1429 100.00 100.00 2.67e-53 . . . . 16670 1 9 no GB AAH51787 . "NLRP1 protein [Homo sapiens]" . . . . . 95.88 1375 100.00 100.00 3.15e-53 . . . . 16670 1 10 no GB AAK00748 . "NAC-alpha splice variant [Homo sapiens]" . . . . . 95.88 1429 100.00 100.00 2.67e-53 . . . . 16670 1 11 no GB AAK00749 . "NAC-beta splice variant [Homo sapiens]" . . . . . 95.88 1473 100.00 100.00 2.72e-53 . . . . 16670 1 12 no REF NP_001028225 . "NACHT, LRR and PYD domains-containing protein 1 isoform 5 [Homo sapiens]" . . . . . 95.88 1375 100.00 100.00 3.15e-53 . . . . 16670 1 13 no REF NP_055737 . "NACHT, LRR and PYD domains-containing protein 1 isoform 2 [Homo sapiens]" . . . . . 95.88 1429 100.00 100.00 2.67e-53 . . . . 16670 1 14 no REF NP_127497 . "NACHT, LRR and PYD domains-containing protein 1 isoform 1 [Homo sapiens]" . . . . . 95.88 1473 100.00 100.00 2.72e-53 . . . . 16670 1 15 no REF NP_127499 . "NACHT, LRR and PYD domains-containing protein 1 isoform 3 [Homo sapiens]" . . . . . 95.88 1443 100.00 100.00 3.20e-53 . . . . 16670 1 16 no REF NP_127500 . "NACHT, LRR and PYD domains-containing protein 1 isoform 4 [Homo sapiens]" . . . . . 95.88 1399 100.00 100.00 3.01e-53 . . . . 16670 1 17 no SP Q9C000 . "RecName: Full=NACHT, LRR and PYD domains-containing protein 1; AltName: Full=Caspase recruitment domain-containing protein 7; A" . . . . . 95.88 1473 100.00 100.00 2.72e-53 . . . . 16670 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 59 MET . 16670 1 2 60 ALA . 16670 1 3 61 GLY . 16670 1 4 62 GLY . 16670 1 5 63 ALA . 16670 1 6 64 TRP . 16670 1 7 65 GLY . 16670 1 8 66 ARG . 16670 1 9 67 LEU . 16670 1 10 68 ALA . 16670 1 11 69 CYS . 16670 1 12 70 TYR . 16670 1 13 71 LEU . 16670 1 14 72 GLU . 16670 1 15 73 PHE . 16670 1 16 74 LEU . 16670 1 17 75 LYS . 16670 1 18 76 LYS . 16670 1 19 77 GLU . 16670 1 20 78 GLU . 16670 1 21 79 LEU . 16670 1 22 80 LYS . 16670 1 23 81 GLU . 16670 1 24 82 PHE . 16670 1 25 83 GLN . 16670 1 26 84 LEU . 16670 1 27 85 LEU . 16670 1 28 86 LEU . 16670 1 29 87 ALA . 16670 1 30 88 ASN . 16670 1 31 89 LYS . 16670 1 32 90 ALA . 16670 1 33 91 HIS . 16670 1 34 92 SER . 16670 1 35 93 ARG . 16670 1 36 94 SER . 16670 1 37 95 SER . 16670 1 38 96 SER . 16670 1 39 97 GLY . 16670 1 40 98 GLU . 16670 1 41 99 THR . 16670 1 42 100 PRO . 16670 1 43 101 ALA . 16670 1 44 102 GLN . 16670 1 45 103 PRO . 16670 1 46 104 GLU . 16670 1 47 105 LYS . 16670 1 48 106 THR . 16670 1 49 107 SER . 16670 1 50 108 GLY . 16670 1 51 109 MET . 16670 1 52 110 GLU . 16670 1 53 111 VAL . 16670 1 54 112 ALA . 16670 1 55 113 SER . 16670 1 56 114 TYR . 16670 1 57 115 LEU . 16670 1 58 116 VAL . 16670 1 59 117 ALA . 16670 1 60 118 GLN . 16670 1 61 119 TYR . 16670 1 62 120 GLY . 16670 1 63 121 GLU . 16670 1 64 122 GLN . 16670 1 65 123 ARG . 16670 1 66 124 ALA . 16670 1 67 125 TRP . 16670 1 68 126 ASP . 16670 1 69 127 LEU . 16670 1 70 128 ALA . 16670 1 71 129 LEU . 16670 1 72 130 HIS . 16670 1 73 131 THR . 16670 1 74 132 TRP . 16670 1 75 133 GLU . 16670 1 76 134 GLN . 16670 1 77 135 MET . 16670 1 78 136 GLY . 16670 1 79 137 LEU . 16670 1 80 138 ARG . 16670 1 81 139 SER . 16670 1 82 140 LEU . 16670 1 83 141 CYS . 16670 1 84 142 ALA . 16670 1 85 143 GLN . 16670 1 86 144 ALA . 16670 1 87 145 GLN . 16670 1 88 146 GLU . 16670 1 89 147 GLY . 16670 1 90 148 ALA . 16670 1 91 149 GLY . 16670 1 92 150 HIS . 16670 1 93 151 SER . 16670 1 94 152 LEU . 16670 1 95 153 GLU . 16670 1 96 154 HIS . 16670 1 97 155 HIS . 16670 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 16670 1 . ALA 2 2 16670 1 . GLY 3 3 16670 1 . GLY 4 4 16670 1 . ALA 5 5 16670 1 . TRP 6 6 16670 1 . GLY 7 7 16670 1 . ARG 8 8 16670 1 . LEU 9 9 16670 1 . ALA 10 10 16670 1 . CYS 11 11 16670 1 . TYR 12 12 16670 1 . LEU 13 13 16670 1 . GLU 14 14 16670 1 . PHE 15 15 16670 1 . LEU 16 16 16670 1 . LYS 17 17 16670 1 . LYS 18 18 16670 1 . GLU 19 19 16670 1 . GLU 20 20 16670 1 . LEU 21 21 16670 1 . LYS 22 22 16670 1 . GLU 23 23 16670 1 . PHE 24 24 16670 1 . GLN 25 25 16670 1 . LEU 26 26 16670 1 . LEU 27 27 16670 1 . LEU 28 28 16670 1 . ALA 29 29 16670 1 . ASN 30 30 16670 1 . LYS 31 31 16670 1 . ALA 32 32 16670 1 . HIS 33 33 16670 1 . SER 34 34 16670 1 . ARG 35 35 16670 1 . SER 36 36 16670 1 . SER 37 37 16670 1 . SER 38 38 16670 1 . GLY 39 39 16670 1 . GLU 40 40 16670 1 . THR 41 41 16670 1 . PRO 42 42 16670 1 . ALA 43 43 16670 1 . GLN 44 44 16670 1 . PRO 45 45 16670 1 . GLU 46 46 16670 1 . LYS 47 47 16670 1 . THR 48 48 16670 1 . SER 49 49 16670 1 . GLY 50 50 16670 1 . MET 51 51 16670 1 . GLU 52 52 16670 1 . VAL 53 53 16670 1 . ALA 54 54 16670 1 . SER 55 55 16670 1 . TYR 56 56 16670 1 . LEU 57 57 16670 1 . VAL 58 58 16670 1 . ALA 59 59 16670 1 . GLN 60 60 16670 1 . TYR 61 61 16670 1 . GLY 62 62 16670 1 . GLU 63 63 16670 1 . GLN 64 64 16670 1 . ARG 65 65 16670 1 . ALA 66 66 16670 1 . TRP 67 67 16670 1 . ASP 68 68 16670 1 . LEU 69 69 16670 1 . ALA 70 70 16670 1 . LEU 71 71 16670 1 . HIS 72 72 16670 1 . THR 73 73 16670 1 . TRP 74 74 16670 1 . GLU 75 75 16670 1 . GLN 76 76 16670 1 . MET 77 77 16670 1 . GLY 78 78 16670 1 . LEU 79 79 16670 1 . ARG 80 80 16670 1 . SER 81 81 16670 1 . LEU 82 82 16670 1 . CYS 83 83 16670 1 . ALA 84 84 16670 1 . GLN 85 85 16670 1 . ALA 86 86 16670 1 . GLN 87 87 16670 1 . GLU 88 88 16670 1 . GLY 89 89 16670 1 . ALA 90 90 16670 1 . GLY 91 91 16670 1 . HIS 92 92 16670 1 . SER 93 93 16670 1 . LEU 94 94 16670 1 . GLU 95 95 16670 1 . HIS 96 96 16670 1 . HIS 97 97 16670 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 16670 _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 $NALP1_PYD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16670 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 16670 _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 $NALP1_PYD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . peT20b . . . . . . 16670 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16670 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NALP1_PYD '[U-99% 13C; U-99% 15N]' . . 1 $NALP1_PYD . . 1 . . mM . . . . 16670 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16670 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16670 1 4 DTT '[U-100% 2H]' . . . . . . 20 . . mM . . . . 16670 1 5 CHAPS 'natural abundance' . . . . . . 1 . . mM . . . . 16670 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16670 1 7 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 16670 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16670 1 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16670 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16670 _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 6.5 . pH 16670 1 pressure 1 . atm 16670 1 temperature 293 . K 16670 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16670 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16670 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16670 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16670 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16670 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 750 . . . 16670 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 16670 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16670 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16670 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16670 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16670 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16670 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16670 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16670 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16670 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16670 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16670 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 16670 1 2 '3D HNCACB' . . . 16670 1 3 '3D CBCA(CO)NH' . . . 16670 1 4 '3D 1H-15N NOESY' . . . 16670 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 H H 1 8.455 0.02 . 1 . . . . 59 MET HN . 16670 1 2 . 1 1 1 1 MET HA H 1 4.417 0.02 . 1 . . . . 59 MET HA . 16670 1 3 . 1 1 1 1 MET HB2 H 1 2.005 0.02 . 1 . . . . 59 MET HB2 . 16670 1 4 . 1 1 1 1 MET HB3 H 1 1.923 0.02 . 1 . . . . 59 MET HB3 . 16670 1 5 . 1 1 1 1 MET HE1 H 1 1.954 0.02 . 1 . . . . 59 MET QE . 16670 1 6 . 1 1 1 1 MET HE2 H 1 1.954 0.02 . 1 . . . . 59 MET QE . 16670 1 7 . 1 1 1 1 MET HE3 H 1 1.954 0.02 . 1 . . . . 59 MET QE . 16670 1 8 . 1 1 1 1 MET HG2 H 1 2.417 0.02 . 1 . . . . 59 MET HG2 . 16670 1 9 . 1 1 1 1 MET HG3 H 1 2.480 0.02 . 1 . . . . 59 MET HG3 . 16670 1 10 . 1 1 1 1 MET CA C 13 55.189 0.20 . 1 . . . . 59 MET CA . 16670 1 11 . 1 1 1 1 MET CB C 13 32.262 0.20 . 1 . . . . 59 MET CB . 16670 1 12 . 1 1 1 1 MET CE C 13 16.751 0.20 . 1 . . . . 59 MET CE . 16670 1 13 . 1 1 1 1 MET CG C 13 31.564 0.20 . 1 . . . . 59 MET CG . 16670 1 14 . 1 1 1 1 MET N N 15 122.045 0.20 . 1 . . . . 59 MET N . 16670 1 15 . 1 1 2 2 ALA H H 1 8.251 0.02 . 1 . . . . 60 ALA HN . 16670 1 16 . 1 1 2 2 ALA HA H 1 4.236 0.02 . 1 . . . . 60 ALA HA . 16670 1 17 . 1 1 2 2 ALA HB1 H 1 1.293 0.02 . 1 . . . . 60 ALA QB . 16670 1 18 . 1 1 2 2 ALA HB2 H 1 1.293 0.02 . 1 . . . . 60 ALA QB . 16670 1 19 . 1 1 2 2 ALA HB3 H 1 1.293 0.02 . 1 . . . . 60 ALA QB . 16670 1 20 . 1 1 2 2 ALA CA C 13 52.549 0.20 . 1 . . . . 60 ALA CA . 16670 1 21 . 1 1 2 2 ALA CB C 13 18.659 0.20 . 1 . . . . 60 ALA CB . 16670 1 22 . 1 1 2 2 ALA N N 15 124.981 0.20 . 1 . . . . 60 ALA N . 16670 1 23 . 1 1 3 3 GLY H H 1 8.418 0.02 . 1 . . . . 61 GLY HN . 16670 1 24 . 1 1 3 3 GLY HA2 H 1 3.896 0.02 . 1 . . . . 61 GLY HA1 . 16670 1 25 . 1 1 3 3 GLY HA3 H 1 3.938 0.02 . 1 . . . . 61 GLY HA2 . 16670 1 26 . 1 1 3 3 GLY CA C 13 45.050 0.20 . 1 . . . . 61 GLY CA . 16670 1 27 . 1 1 3 3 GLY N N 15 108.104 0.20 . 1 . . . . 61 GLY N . 16670 1 28 . 1 1 4 4 GLY H H 1 8.173 0.02 . 1 . . . . 62 GLY HN . 16670 1 29 . 1 1 4 4 GLY HA2 H 1 3.868 0.02 . 1 . . . . 62 GLY HA1 . 16670 1 30 . 1 1 4 4 GLY HA3 H 1 3.927 0.02 . 1 . . . . 62 GLY HA2 . 16670 1 31 . 1 1 4 4 GLY CA C 13 45.015 0.20 . 1 . . . . 62 GLY CA . 16670 1 32 . 1 1 4 4 GLY N N 15 108.429 0.20 . 1 . . . . 62 GLY N . 16670 1 33 . 1 1 5 5 ALA H H 1 8.523 0.02 . 1 . . . . 63 ALA HN . 16670 1 34 . 1 1 5 5 ALA HA H 1 4.071 0.02 . 1 . . . . 63 ALA HA . 16670 1 35 . 1 1 5 5 ALA HB1 H 1 1.319 0.02 . 1 . . . . 63 ALA QB . 16670 1 36 . 1 1 5 5 ALA HB2 H 1 1.319 0.02 . 1 . . . . 63 ALA QB . 16670 1 37 . 1 1 5 5 ALA HB3 H 1 1.319 0.02 . 1 . . . . 63 ALA QB . 16670 1 38 . 1 1 5 5 ALA CA C 13 53.758 0.20 . 1 . . . . 63 ALA CA . 16670 1 39 . 1 1 5 5 ALA CB C 13 18.311 0.20 . 1 . . . . 63 ALA CB . 16670 1 40 . 1 1 5 5 ALA N N 15 124.288 0.20 . 1 . . . . 63 ALA N . 16670 1 41 . 1 1 6 6 TRP H H 1 8.337 0.02 . 1 . . . . 64 TRP HN . 16670 1 42 . 1 1 6 6 TRP HA H 1 4.396 0.02 . 1 . . . . 64 TRP HA . 16670 1 43 . 1 1 6 6 TRP HB2 H 1 3.231 0.02 . 1 . . . . 64 TRP HB2 . 16670 1 44 . 1 1 6 6 TRP HB3 H 1 3.317 0.02 . 1 . . . . 64 TRP HB3 . 16670 1 45 . 1 1 6 6 TRP HD1 H 1 7.136 0.02 . 1 . . . . 64 TRP HD1 . 16670 1 46 . 1 1 6 6 TRP HE1 H 1 10.060 0.02 . 1 . . . . 64 TRP HE1 . 16670 1 47 . 1 1 6 6 TRP HZ2 H 1 7.411 0.02 . 1 . . . . 64 TRP HZ2 . 16670 1 48 . 1 1 6 6 TRP CA C 13 58.537 0.20 . 1 . . . . 64 TRP CA . 16670 1 49 . 1 1 6 6 TRP CB C 13 28.692 0.20 . 1 . . . . 64 TRP CB . 16670 1 50 . 1 1 6 6 TRP CD1 C 13 126.072 0.20 . 1 . . . . 64 TRP CD1 . 16670 1 51 . 1 1 6 6 TRP CZ2 C 13 114.305 0.20 . 1 . . . . 64 TRP CZ2 . 16670 1 52 . 1 1 6 6 TRP N N 15 117.780 0.20 . 1 . . . . 64 TRP N . 16670 1 53 . 1 1 6 6 TRP NE1 N 15 129.260 0.20 . 1 . . . . 64 TRP NE1 . 16670 1 54 . 1 1 7 7 GLY H H 1 8.023 0.02 . 1 . . . . 65 GLY HN . 16670 1 55 . 1 1 7 7 GLY HA2 H 1 3.763 0.02 . 1 . . . . 65 GLY HA1 . 16670 1 56 . 1 1 7 7 GLY HA3 H 1 3.520 0.02 . 1 . . . . 65 GLY HA2 . 16670 1 57 . 1 1 7 7 GLY CA C 13 46.726 0.20 . 1 . . . . 65 GLY CA . 16670 1 58 . 1 1 7 7 GLY N N 15 108.399 0.20 . 1 . . . . 65 GLY N . 16670 1 59 . 1 1 8 8 ARG H H 1 8.095 0.02 . 1 . . . . 66 ARG HN . 16670 1 60 . 1 1 8 8 ARG HA H 1 4.058 0.02 . 1 . . . . 66 ARG HA . 16670 1 61 . 1 1 8 8 ARG CA C 13 59.237 0.20 . 1 . . . . 66 ARG CA . 16670 1 62 . 1 1 8 8 ARG N N 15 121.637 0.20 . 1 . . . . 66 ARG N . 16670 1 63 . 1 1 9 9 LEU H H 1 8.397 0.02 . 1 . . . . 67 LEU HN . 16670 1 64 . 1 1 9 9 LEU HA H 1 4.310 0.02 . 1 . . . . 67 LEU HA . 16670 1 65 . 1 1 9 9 LEU HB2 H 1 1.921 0.02 . 1 . . . . 67 LEU HB2 . 16670 1 66 . 1 1 9 9 LEU HB3 H 1 1.726 0.02 . 1 . . . . 67 LEU HB3 . 16670 1 67 . 1 1 9 9 LEU HD11 H 1 0.648 0.02 . 2 . . . . 67 LEU QD1 . 16670 1 68 . 1 1 9 9 LEU HD12 H 1 0.648 0.02 . 2 . . . . 67 LEU QD1 . 16670 1 69 . 1 1 9 9 LEU HD13 H 1 0.648 0.02 . 2 . . . . 67 LEU QD1 . 16670 1 70 . 1 1 9 9 LEU HD21 H 1 0.803 0.02 . 2 . . . . 67 LEU QD2 . 16670 1 71 . 1 1 9 9 LEU HD22 H 1 0.803 0.02 . 2 . . . . 67 LEU QD2 . 16670 1 72 . 1 1 9 9 LEU HD23 H 1 0.803 0.02 . 2 . . . . 67 LEU QD2 . 16670 1 73 . 1 1 9 9 LEU HG H 1 1.548 0.02 . 1 . . . . 67 LEU HG . 16670 1 74 . 1 1 9 9 LEU CA C 13 58.385 0.20 . 1 . . . . 67 LEU CA . 16670 1 75 . 1 1 9 9 LEU CB C 13 41.355 0.20 . 1 . . . . 67 LEU CB . 16670 1 76 . 1 1 9 9 LEU CD1 C 13 23.080 0.20 . 1 . . . . 67 LEU CD1 . 16670 1 77 . 1 1 9 9 LEU CD2 C 13 25.751 0.20 . 1 . . . . 67 LEU CD2 . 16670 1 78 . 1 1 9 9 LEU CG C 13 26.479 0.20 . 1 . . . . 67 LEU CG . 16670 1 79 . 1 1 9 9 LEU N N 15 120.350 0.20 . 1 . . . . 67 LEU N . 16670 1 80 . 1 1 10 10 ALA H H 1 8.458 0.02 . 1 . . . . 68 ALA HN . 16670 1 81 . 1 1 10 10 ALA HA H 1 3.668 0.02 . 1 . . . . 68 ALA HA . 16670 1 82 . 1 1 10 10 ALA HB1 H 1 1.267 0.02 . 1 . . . . 68 ALA QB . 16670 1 83 . 1 1 10 10 ALA HB2 H 1 1.267 0.02 . 1 . . . . 68 ALA QB . 16670 1 84 . 1 1 10 10 ALA HB3 H 1 1.267 0.02 . 1 . . . . 68 ALA QB . 16670 1 85 . 1 1 10 10 ALA CA C 13 55.499 0.20 . 1 . . . . 68 ALA CA . 16670 1 86 . 1 1 10 10 ALA CB C 13 17.809 0.20 . 1 . . . . 68 ALA CB . 16670 1 87 . 1 1 10 10 ALA N N 15 119.859 0.20 . 1 . . . . 68 ALA N . 16670 1 88 . 1 1 11 11 CYS H H 1 7.698 0.02 . 1 . . . . 69 CYS HN . 16670 1 89 . 1 1 11 11 CYS HA H 1 3.899 0.02 . 1 . . . . 69 CYS HA . 16670 1 90 . 1 1 11 11 CYS HB2 H 1 2.903 0.02 . 1 . . . . 69 CYS HB2 . 16670 1 91 . 1 1 11 11 CYS HB3 H 1 2.828 0.02 . 1 . . . . 69 CYS HB3 . 16670 1 92 . 1 1 11 11 CYS CA C 13 62.165 0.20 . 1 . . . . 69 CYS CA . 16670 1 93 . 1 1 11 11 CYS CB C 13 25.952 0.20 . 1 . . . . 69 CYS CB . 16670 1 94 . 1 1 11 11 CYS N N 15 114.719 0.20 . 1 . . . . 69 CYS N . 16670 1 95 . 1 1 12 12 TYR H H 1 7.993 0.02 . 1 . . . . 70 TYR HN . 16670 1 96 . 1 1 12 12 TYR HA H 1 4.051 0.02 . 1 . . . . 70 TYR HA . 16670 1 97 . 1 1 12 12 TYR HB2 H 1 3.091 0.02 . 1 . . . . 70 TYR HB2 . 16670 1 98 . 1 1 12 12 TYR HB3 H 1 2.660 0.02 . 1 . . . . 70 TYR HB3 . 16670 1 99 . 1 1 12 12 TYR HD1 H 1 7.129 0.02 . 3 . . . . 70 TYR HD1 . 16670 1 100 . 1 1 12 12 TYR HE1 H 1 6.784 0.02 . 3 . . . . 70 TYR HE1 . 16670 1 101 . 1 1 12 12 TYR CA C 13 61.269 0.20 . 1 . . . . 70 TYR CA . 16670 1 102 . 1 1 12 12 TYR CB C 13 38.340 0.20 . 1 . . . . 70 TYR CB . 16670 1 103 . 1 1 12 12 TYR CD1 C 13 132.902 0.20 . 3 . . . . 70 TYR CD1 . 16670 1 104 . 1 1 12 12 TYR CE1 C 13 117.855 0.20 . 3 . . . . 70 TYR CE1 . 16670 1 105 . 1 1 12 12 TYR N N 15 117.219 0.20 . 1 . . . . 70 TYR N . 16670 1 106 . 1 1 13 13 LEU H H 1 8.413 0.02 . 1 . . . . 71 LEU HN . 16670 1 107 . 1 1 13 13 LEU HA H 1 4.066 0.02 . 1 . . . . 71 LEU HA . 16670 1 108 . 1 1 13 13 LEU HB2 H 1 1.159 0.02 . 1 . . . . 71 LEU HB2 . 16670 1 109 . 1 1 13 13 LEU HB3 H 1 1.189 0.02 . 1 . . . . 71 LEU HB3 . 16670 1 110 . 1 1 13 13 LEU HD11 H 1 0.758 0.02 . 2 . . . . 71 LEU QD1 . 16670 1 111 . 1 1 13 13 LEU HD12 H 1 0.758 0.02 . 2 . . . . 71 LEU QD1 . 16670 1 112 . 1 1 13 13 LEU HD13 H 1 0.758 0.02 . 2 . . . . 71 LEU QD1 . 16670 1 113 . 1 1 13 13 LEU HD21 H 1 0.302 0.02 . 2 . . . . 71 LEU QD2 . 16670 1 114 . 1 1 13 13 LEU HD22 H 1 0.302 0.02 . 2 . . . . 71 LEU QD2 . 16670 1 115 . 1 1 13 13 LEU HD23 H 1 0.302 0.02 . 2 . . . . 71 LEU QD2 . 16670 1 116 . 1 1 13 13 LEU HG H 1 1.976 0.02 . 1 . . . . 71 LEU HG . 16670 1 117 . 1 1 13 13 LEU CA C 13 57.017 0.20 . 1 . . . . 71 LEU CA . 16670 1 118 . 1 1 13 13 LEU CB C 13 41.007 0.20 . 1 . . . . 71 LEU CB . 16670 1 119 . 1 1 13 13 LEU CD1 C 13 25.731 0.20 . 1 . . . . 71 LEU CD1 . 16670 1 120 . 1 1 13 13 LEU CD2 C 13 22.681 0.20 . 1 . . . . 71 LEU CD2 . 16670 1 121 . 1 1 13 13 LEU CG C 13 26.228 0.20 . 1 . . . . 71 LEU CG . 16670 1 122 . 1 1 13 13 LEU N N 15 116.356 0.20 . 1 . . . . 71 LEU N . 16670 1 123 . 1 1 14 14 GLU H H 1 7.714 0.02 . 1 . . . . 72 GLU HN . 16670 1 124 . 1 1 14 14 GLU HA H 1 4.183 0.02 . 1 . . . . 72 GLU HA . 16670 1 125 . 1 1 14 14 GLU HB2 H 1 2.050 0.02 . 1 . . . . 72 GLU HB2 . 16670 1 126 . 1 1 14 14 GLU HB3 H 1 2.042 0.02 . 1 . . . . 72 GLU HB3 . 16670 1 127 . 1 1 14 14 GLU HG2 H 1 2.266 0.02 . 1 . . . . 72 GLU HG2 . 16670 1 128 . 1 1 14 14 GLU HG3 H 1 2.325 0.02 . 1 . . . . 72 GLU HG3 . 16670 1 129 . 1 1 14 14 GLU CA C 13 57.686 0.20 . 1 . . . . 72 GLU CA . 16670 1 130 . 1 1 14 14 GLU CB C 13 29.114 0.20 . 1 . . . . 72 GLU CB . 16670 1 131 . 1 1 14 14 GLU CG C 13 35.718 0.20 . 1 . . . . 72 GLU CG . 16670 1 132 . 1 1 14 14 GLU N N 15 118.256 0.20 . 1 . . . . 72 GLU N . 16670 1 133 . 1 1 15 15 PHE H H 1 7.480 0.02 . 1 . . . . 73 PHE HN . 16670 1 134 . 1 1 15 15 PHE HA H 1 4.401 0.02 . 1 . . . . 73 PHE HA . 16670 1 135 . 1 1 15 15 PHE HB2 H 1 3.123 0.02 . 1 . . . . 73 PHE HB2 . 16670 1 136 . 1 1 15 15 PHE HB3 H 1 3.151 0.02 . 1 . . . . 73 PHE HB3 . 16670 1 137 . 1 1 15 15 PHE CA C 13 57.990 0.20 . 1 . . . . 73 PHE CA . 16670 1 138 . 1 1 15 15 PHE CB C 13 38.201 0.20 . 1 . . . . 73 PHE CB . 16670 1 139 . 1 1 15 15 PHE N N 15 116.249 0.20 . 1 . . . . 73 PHE N . 16670 1 140 . 1 1 16 16 LEU H H 1 7.131 0.02 . 1 . . . . 74 LEU HN . 16670 1 141 . 1 1 16 16 LEU HA H 1 4.230 0.02 . 1 . . . . 74 LEU HA . 16670 1 142 . 1 1 16 16 LEU HB2 H 1 1.774 0.02 . 1 . . . . 74 LEU HB2 . 16670 1 143 . 1 1 16 16 LEU HB3 H 1 1.763 0.02 . 1 . . . . 74 LEU HB3 . 16670 1 144 . 1 1 16 16 LEU HD11 H 1 0.607 0.02 . 2 . . . . 74 LEU QD1 . 16670 1 145 . 1 1 16 16 LEU HD12 H 1 0.607 0.02 . 2 . . . . 74 LEU QD1 . 16670 1 146 . 1 1 16 16 LEU HD13 H 1 0.607 0.02 . 2 . . . . 74 LEU QD1 . 16670 1 147 . 1 1 16 16 LEU HD21 H 1 0.635 0.02 . 2 . . . . 74 LEU QD2 . 16670 1 148 . 1 1 16 16 LEU HD22 H 1 0.635 0.02 . 2 . . . . 74 LEU QD2 . 16670 1 149 . 1 1 16 16 LEU HD23 H 1 0.635 0.02 . 2 . . . . 74 LEU QD2 . 16670 1 150 . 1 1 16 16 LEU HG H 1 1.755 0.02 . 1 . . . . 74 LEU HG . 16670 1 151 . 1 1 16 16 LEU CA C 13 55.404 0.20 . 1 . . . . 74 LEU CA . 16670 1 152 . 1 1 16 16 LEU CB C 13 40.358 0.20 . 1 . . . . 74 LEU CB . 16670 1 153 . 1 1 16 16 LEU CD1 C 13 25.384 0.20 . 1 . . . . 74 LEU CD1 . 16670 1 154 . 1 1 16 16 LEU CD2 C 13 23.505 0.20 . 1 . . . . 74 LEU CD2 . 16670 1 155 . 1 1 16 16 LEU CG C 13 28.017 0.20 . 1 . . . . 74 LEU CG . 16670 1 156 . 1 1 16 16 LEU N N 15 119.316 0.20 . 1 . . . . 74 LEU N . 16670 1 157 . 1 1 17 17 LYS H H 1 9.197 0.02 . 1 . . . . 75 LYS HN . 16670 1 158 . 1 1 17 17 LYS HA H 1 4.322 0.02 . 1 . . . . 75 LYS HA . 16670 1 159 . 1 1 17 17 LYS CA C 13 55.732 0.20 . 1 . . . . 75 LYS CA . 16670 1 160 . 1 1 17 17 LYS CB C 13 32.842 0.20 . 1 . . . . 75 LYS CB . 16670 1 161 . 1 1 17 17 LYS N N 15 122.526 0.20 . 1 . . . . 75 LYS N . 16670 1 162 . 1 1 18 18 LYS H H 1 9.135 0.02 . 1 . . . . 76 LYS HN . 16670 1 163 . 1 1 18 18 LYS HA H 1 3.990 0.02 . 1 . . . . 76 LYS HA . 16670 1 164 . 1 1 18 18 LYS HB2 H 1 1.959 0.02 . 1 . . . . 76 LYS HB2 . 16670 1 165 . 1 1 18 18 LYS HB3 H 1 1.818 0.02 . 1 . . . . 76 LYS HB3 . 16670 1 166 . 1 1 18 18 LYS HD2 H 1 1.722 0.02 . 1 . . . . 76 LYS HD2 . 16670 1 167 . 1 1 18 18 LYS HD3 H 1 1.734 0.02 . 1 . . . . 76 LYS HD3 . 16670 1 168 . 1 1 18 18 LYS HE2 H 1 3.047 0.02 . 1 . . . . 76 LYS HE2 . 16670 1 169 . 1 1 18 18 LYS HE3 H 1 3.053 0.02 . 1 . . . . 76 LYS HE3 . 16670 1 170 . 1 1 18 18 LYS HG2 H 1 1.576 0.02 . 1 . . . . 76 LYS HG2 . 16670 1 171 . 1 1 18 18 LYS HG3 H 1 1.493 0.02 . 1 . . . . 76 LYS HG3 . 16670 1 172 . 1 1 18 18 LYS CA C 13 60.351 0.20 . 1 . . . . 76 LYS CA . 16670 1 173 . 1 1 18 18 LYS CB C 13 31.380 0.20 . 1 . . . . 76 LYS CB . 16670 1 174 . 1 1 18 18 LYS CD C 13 28.541 0.20 . 1 . . . . 76 LYS CD . 16670 1 175 . 1 1 18 18 LYS CE C 13 41.720 0.20 . 1 . . . . 76 LYS CE . 16670 1 176 . 1 1 18 18 LYS CG C 13 24.231 0.20 . 1 . . . . 76 LYS CG . 16670 1 177 . 1 1 18 18 LYS N N 15 123.566 0.20 . 1 . . . . 76 LYS N . 16670 1 178 . 1 1 19 19 GLU H H 1 9.755 0.02 . 1 . . . . 77 GLU HN . 16670 1 179 . 1 1 19 19 GLU HA H 1 4.108 0.02 . 1 . . . . 77 GLU HA . 16670 1 180 . 1 1 19 19 GLU HB2 H 1 2.019 0.02 . 1 . . . . 77 GLU HB2 . 16670 1 181 . 1 1 19 19 GLU HB3 H 1 2.073 0.02 . 1 . . . . 77 GLU HB3 . 16670 1 182 . 1 1 19 19 GLU HG2 H 1 2.406 0.02 . 1 . . . . 77 GLU HG2 . 16670 1 183 . 1 1 19 19 GLU HG3 H 1 2.388 0.02 . 1 . . . . 77 GLU HG3 . 16670 1 184 . 1 1 19 19 GLU CA C 13 59.584 0.20 . 1 . . . . 77 GLU CA . 16670 1 185 . 1 1 19 19 GLU CB C 13 28.109 0.20 . 1 . . . . 77 GLU CB . 16670 1 186 . 1 1 19 19 GLU CG C 13 36.090 0.20 . 1 . . . . 77 GLU CG . 16670 1 187 . 1 1 19 19 GLU N N 15 117.849 0.20 . 1 . . . . 77 GLU N . 16670 1 188 . 1 1 20 20 GLU H H 1 6.963 0.02 . 1 . . . . 78 GLU HN . 16670 1 189 . 1 1 20 20 GLU HA H 1 4.266 0.02 . 1 . . . . 78 GLU HA . 16670 1 190 . 1 1 20 20 GLU CA C 13 57.792 0.20 . 1 . . . . 78 GLU CA . 16670 1 191 . 1 1 20 20 GLU CB C 13 29.998 0.20 . 1 . . . . 78 GLU CB . 16670 1 192 . 1 1 20 20 GLU N N 15 119.568 0.20 . 1 . . . . 78 GLU N . 16670 1 193 . 1 1 21 21 LEU H H 1 8.673 0.02 . 1 . . . . 79 LEU HN . 16670 1 194 . 1 1 21 21 LEU HA H 1 4.113 0.02 . 1 . . . . 79 LEU HA . 16670 1 195 . 1 1 21 21 LEU HB2 H 1 1.944 0.02 . 1 . . . . 79 LEU HB2 . 16670 1 196 . 1 1 21 21 LEU HB3 H 1 1.530 0.02 . 1 . . . . 79 LEU HB3 . 16670 1 197 . 1 1 21 21 LEU HD11 H 1 0.688 0.02 . 2 . . . . 79 LEU QD1 . 16670 1 198 . 1 1 21 21 LEU HD12 H 1 0.688 0.02 . 2 . . . . 79 LEU QD1 . 16670 1 199 . 1 1 21 21 LEU HD13 H 1 0.688 0.02 . 2 . . . . 79 LEU QD1 . 16670 1 200 . 1 1 21 21 LEU HD21 H 1 0.881 0.02 . 2 . . . . 79 LEU QD2 . 16670 1 201 . 1 1 21 21 LEU HD22 H 1 0.881 0.02 . 2 . . . . 79 LEU QD2 . 16670 1 202 . 1 1 21 21 LEU HD23 H 1 0.881 0.02 . 2 . . . . 79 LEU QD2 . 16670 1 203 . 1 1 21 21 LEU HG H 1 1.634 0.02 . 1 . . . . 79 LEU HG . 16670 1 204 . 1 1 21 21 LEU CA C 13 57.655 0.20 . 1 . . . . 79 LEU CA . 16670 1 205 . 1 1 21 21 LEU CB C 13 40.567 0.20 . 1 . . . . 79 LEU CB . 16670 1 206 . 1 1 21 21 LEU CD1 C 13 24.455 0.20 . 1 . . . . 79 LEU CD1 . 16670 1 207 . 1 1 21 21 LEU CD2 C 13 23.603 0.20 . 1 . . . . 79 LEU CD2 . 16670 1 208 . 1 1 21 21 LEU CG C 13 26.582 0.20 . 1 . . . . 79 LEU CG . 16670 1 209 . 1 1 21 21 LEU N N 15 122.000 0.20 . 1 . . . . 79 LEU N . 16670 1 210 . 1 1 22 22 LYS H H 1 7.670 0.02 . 1 . . . . 80 LYS HN . 16670 1 211 . 1 1 22 22 LYS HA H 1 4.058 0.02 . 1 . . . . 80 LYS HA . 16670 1 212 . 1 1 22 22 LYS HB2 H 1 1.947 0.02 . 1 . . . . 80 LYS HB2 . 16670 1 213 . 1 1 22 22 LYS HB3 H 1 1.928 0.02 . 1 . . . . 80 LYS HB3 . 16670 1 214 . 1 1 22 22 LYS HD2 H 1 1.720 0.02 . 1 . . . . 80 LYS HD2 . 16670 1 215 . 1 1 22 22 LYS HD3 H 1 1.706 0.02 . 1 . . . . 80 LYS HD3 . 16670 1 216 . 1 1 22 22 LYS HE2 H 1 2.942 0.02 . 1 . . . . 80 LYS HE2 . 16670 1 217 . 1 1 22 22 LYS HE3 H 1 2.924 0.02 . 1 . . . . 80 LYS HE3 . 16670 1 218 . 1 1 22 22 LYS HG2 H 1 1.529 0.02 . 1 . . . . 80 LYS HG2 . 16670 1 219 . 1 1 22 22 LYS HG3 H 1 1.341 0.02 . 1 . . . . 80 LYS HG3 . 16670 1 220 . 1 1 22 22 LYS CA C 13 59.951 0.20 . 1 . . . . 80 LYS CA . 16670 1 221 . 1 1 22 22 LYS CB C 13 31.868 0.20 . 1 . . . . 80 LYS CB . 16670 1 222 . 1 1 22 22 LYS CD C 13 28.584 0.20 . 1 . . . . 80 LYS CD . 16670 1 223 . 1 1 22 22 LYS CE C 13 41.504 0.20 . 1 . . . . 80 LYS CE . 16670 1 224 . 1 1 22 22 LYS CG C 13 24.187 0.20 . 1 . . . . 80 LYS CG . 16670 1 225 . 1 1 22 22 LYS N N 15 120.429 0.20 . 1 . . . . 80 LYS N . 16670 1 226 . 1 1 23 23 GLU H H 1 7.678 0.02 . 1 . . . . 81 GLU HN . 16670 1 227 . 1 1 23 23 GLU HA H 1 4.086 0.02 . 1 . . . . 81 GLU HA . 16670 1 228 . 1 1 23 23 GLU HB2 H 1 2.166 0.02 . 1 . . . . 81 GLU HB2 . 16670 1 229 . 1 1 23 23 GLU HB3 H 1 2.179 0.02 . 1 . . . . 81 GLU HB3 . 16670 1 230 . 1 1 23 23 GLU HG2 H 1 2.365 0.02 . 1 . . . . 81 GLU HG2 . 16670 1 231 . 1 1 23 23 GLU HG3 H 1 2.356 0.02 . 1 . . . . 81 GLU HG3 . 16670 1 232 . 1 1 23 23 GLU CA C 13 59.418 0.20 . 1 . . . . 81 GLU CA . 16670 1 233 . 1 1 23 23 GLU CB C 13 29.293 0.20 . 1 . . . . 81 GLU CB . 16670 1 234 . 1 1 23 23 GLU CG C 13 34.844 0.20 . 1 . . . . 81 GLU CG . 16670 1 235 . 1 1 23 23 GLU N N 15 121.203 0.20 . 1 . . . . 81 GLU N . 16670 1 236 . 1 1 24 24 PHE H H 1 9.018 0.02 . 1 . . . . 82 PHE HN . 16670 1 237 . 1 1 24 24 PHE HA H 1 4.212 0.02 . 1 . . . . 82 PHE HA . 16670 1 238 . 1 1 24 24 PHE HB2 H 1 3.192 0.02 . 1 . . . . 82 PHE HB2 . 16670 1 239 . 1 1 24 24 PHE HB3 H 1 3.437 0.02 . 1 . . . . 82 PHE HB3 . 16670 1 240 . 1 1 24 24 PHE HD1 H 1 7.183 0.02 . 3 . . . . 82 PHE HD1 . 16670 1 241 . 1 1 24 24 PHE HE1 H 1 6.864 0.02 . 3 . . . . 82 PHE HE1 . 16670 1 242 . 1 1 24 24 PHE HZ H 1 6.605 0.02 . 1 . . . . 82 PHE HZ . 16670 1 243 . 1 1 24 24 PHE CA C 13 60.924 0.20 . 1 . . . . 82 PHE CA . 16670 1 244 . 1 1 24 24 PHE CB C 13 39.593 0.20 . 1 . . . . 82 PHE CB . 16670 1 245 . 1 1 24 24 PHE CD1 C 13 131.947 0.20 . 3 . . . . 82 PHE CD1 . 16670 1 246 . 1 1 24 24 PHE CE1 C 13 131.400 0.20 . 3 . . . . 82 PHE CE1 . 16670 1 247 . 1 1 24 24 PHE CZ C 13 128.287 0.20 . 1 . . . . 82 PHE CZ . 16670 1 248 . 1 1 24 24 PHE N N 15 119.150 0.20 . 1 . . . . 82 PHE N . 16670 1 249 . 1 1 25 25 GLN H H 1 7.663 0.02 . 1 . . . . 83 GLN HN . 16670 1 250 . 1 1 25 25 GLN HA H 1 3.813 0.02 . 1 . . . . 83 GLN HA . 16670 1 251 . 1 1 25 25 GLN HB2 H 1 2.279 0.02 . 1 . . . . 83 GLN HB2 . 16670 1 252 . 1 1 25 25 GLN HB3 H 1 2.256 0.02 . 1 . . . . 83 GLN HB3 . 16670 1 253 . 1 1 25 25 GLN HG2 H 1 2.907 0.02 . 1 . . . . 83 GLN HG2 . 16670 1 254 . 1 1 25 25 GLN HG3 H 1 2.939 0.02 . 1 . . . . 83 GLN HG3 . 16670 1 255 . 1 1 25 25 GLN CA C 13 59.511 0.20 . 1 . . . . 83 GLN CA . 16670 1 256 . 1 1 25 25 GLN CB C 13 30.684 0.20 . 1 . . . . 83 GLN CB . 16670 1 257 . 1 1 25 25 GLN CG C 13 36.532 0.20 . 1 . . . . 83 GLN CG . 16670 1 258 . 1 1 25 25 GLN N N 15 114.746 0.20 . 1 . . . . 83 GLN N . 16670 1 259 . 1 1 26 26 LEU H H 1 7.881 0.02 . 1 . . . . 84 LEU HN . 16670 1 260 . 1 1 26 26 LEU HA H 1 4.058 0.02 . 1 . . . . 84 LEU HA . 16670 1 261 . 1 1 26 26 LEU HB2 H 1 1.836 0.02 . 1 . . . . 84 LEU HB2 . 16670 1 262 . 1 1 26 26 LEU HB3 H 1 1.624 0.02 . 1 . . . . 84 LEU HB3 . 16670 1 263 . 1 1 26 26 LEU HD11 H 1 0.877 0.02 . 2 . . . . 84 LEU QD1 . 16670 1 264 . 1 1 26 26 LEU HD12 H 1 0.877 0.02 . 2 . . . . 84 LEU QD1 . 16670 1 265 . 1 1 26 26 LEU HD13 H 1 0.877 0.02 . 2 . . . . 84 LEU QD1 . 16670 1 266 . 1 1 26 26 LEU HD21 H 1 0.846 0.02 . 2 . . . . 84 LEU QD2 . 16670 1 267 . 1 1 26 26 LEU HD22 H 1 0.846 0.02 . 2 . . . . 84 LEU QD2 . 16670 1 268 . 1 1 26 26 LEU HD23 H 1 0.846 0.02 . 2 . . . . 84 LEU QD2 . 16670 1 269 . 1 1 26 26 LEU HG H 1 1.703 0.02 . 1 . . . . 84 LEU HG . 16670 1 270 . 1 1 26 26 LEU CA C 13 57.819 0.20 . 1 . . . . 84 LEU CA . 16670 1 271 . 1 1 26 26 LEU CB C 13 41.402 0.20 . 1 . . . . 84 LEU CB . 16670 1 272 . 1 1 26 26 LEU CD1 C 13 24.560 0.20 . 1 . . . . 84 LEU CD1 . 16670 1 273 . 1 1 26 26 LEU CD2 C 13 23.402 0.20 . 1 . . . . 84 LEU CD2 . 16670 1 274 . 1 1 26 26 LEU CG C 13 26.470 0.20 . 1 . . . . 84 LEU CG . 16670 1 275 . 1 1 26 26 LEU N N 15 122.009 0.20 . 1 . . . . 84 LEU N . 16670 1 276 . 1 1 27 27 LEU H H 1 8.479 0.02 . 1 . . . . 85 LEU HN . 16670 1 277 . 1 1 27 27 LEU HA H 1 3.978 0.02 . 1 . . . . 85 LEU HA . 16670 1 278 . 1 1 27 27 LEU HB2 H 1 1.264 0.02 . 1 . . . . 85 LEU HB2 . 16670 1 279 . 1 1 27 27 LEU HB3 H 1 1.739 0.02 . 1 . . . . 85 LEU HB3 . 16670 1 280 . 1 1 27 27 LEU HD11 H 1 0.826 0.02 . 2 . . . . 85 LEU QD1 . 16670 1 281 . 1 1 27 27 LEU HD12 H 1 0.826 0.02 . 2 . . . . 85 LEU QD1 . 16670 1 282 . 1 1 27 27 LEU HD13 H 1 0.826 0.02 . 2 . . . . 85 LEU QD1 . 16670 1 283 . 1 1 27 27 LEU HD21 H 1 0.869 0.02 . 2 . . . . 85 LEU QD2 . 16670 1 284 . 1 1 27 27 LEU HD22 H 1 0.869 0.02 . 2 . . . . 85 LEU QD2 . 16670 1 285 . 1 1 27 27 LEU HD23 H 1 0.869 0.02 . 2 . . . . 85 LEU QD2 . 16670 1 286 . 1 1 27 27 LEU HG H 1 1.791 0.02 . 1 . . . . 85 LEU HG . 16670 1 287 . 1 1 27 27 LEU CA C 13 57.338 0.20 . 1 . . . . 85 LEU CA . 16670 1 288 . 1 1 27 27 LEU CB C 13 41.750 0.20 . 1 . . . . 85 LEU CB . 16670 1 289 . 1 1 27 27 LEU CD1 C 13 22.119 0.20 . 1 . . . . 85 LEU CD1 . 16670 1 290 . 1 1 27 27 LEU CD2 C 13 25.421 0.20 . 1 . . . . 85 LEU CD2 . 16670 1 291 . 1 1 27 27 LEU CG C 13 26.641 0.20 . 1 . . . . 85 LEU CG . 16670 1 292 . 1 1 27 27 LEU N N 15 120.096 0.20 . 1 . . . . 85 LEU N . 16670 1 293 . 1 1 28 28 LEU H H 1 7.747 0.02 . 1 . . . . 86 LEU HN . 16670 1 294 . 1 1 28 28 LEU HA H 1 3.806 0.02 . 1 . . . . 86 LEU HA . 16670 1 295 . 1 1 28 28 LEU HB2 H 1 1.396 0.02 . 1 . . . . 86 LEU HB2 . 16670 1 296 . 1 1 28 28 LEU HB3 H 1 1.276 0.02 . 1 . . . . 86 LEU HB3 . 16670 1 297 . 1 1 28 28 LEU HD11 H 1 0.361 0.02 . 2 . . . . 86 LEU QD1 . 16670 1 298 . 1 1 28 28 LEU HD12 H 1 0.361 0.02 . 2 . . . . 86 LEU QD1 . 16670 1 299 . 1 1 28 28 LEU HD13 H 1 0.361 0.02 . 2 . . . . 86 LEU QD1 . 16670 1 300 . 1 1 28 28 LEU HD21 H 1 0.526 0.02 . 2 . . . . 86 LEU QD2 . 16670 1 301 . 1 1 28 28 LEU HD22 H 1 0.526 0.02 . 2 . . . . 86 LEU QD2 . 16670 1 302 . 1 1 28 28 LEU HD23 H 1 0.526 0.02 . 2 . . . . 86 LEU QD2 . 16670 1 303 . 1 1 28 28 LEU HG H 1 1.271 0.02 . 1 . . . . 86 LEU HG . 16670 1 304 . 1 1 28 28 LEU CA C 13 57.776 0.20 . 1 . . . . 86 LEU CA . 16670 1 305 . 1 1 28 28 LEU CB C 13 41.332 0.20 . 1 . . . . 86 LEU CB . 16670 1 306 . 1 1 28 28 LEU CD1 C 13 26.998 0.20 . 1 . . . . 86 LEU CD1 . 16670 1 307 . 1 1 28 28 LEU CD2 C 13 23.771 0.20 . 1 . . . . 86 LEU CD2 . 16670 1 308 . 1 1 28 28 LEU CG C 13 26.986 0.20 . 1 . . . . 86 LEU CG . 16670 1 309 . 1 1 28 28 LEU N N 15 120.243 0.20 . 1 . . . . 86 LEU N . 16670 1 310 . 1 1 29 29 ALA H H 1 7.686 0.02 . 1 . . . . 87 ALA HN . 16670 1 311 . 1 1 29 29 ALA HA H 1 4.086 0.02 . 1 . . . . 87 ALA HA . 16670 1 312 . 1 1 29 29 ALA HB1 H 1 1.474 0.02 . 1 . . . . 87 ALA QB . 16670 1 313 . 1 1 29 29 ALA HB2 H 1 1.474 0.02 . 1 . . . . 87 ALA QB . 16670 1 314 . 1 1 29 29 ALA HB3 H 1 1.474 0.02 . 1 . . . . 87 ALA QB . 16670 1 315 . 1 1 29 29 ALA CA C 13 54.137 0.20 . 1 . . . . 87 ALA CA . 16670 1 316 . 1 1 29 29 ALA CB C 13 17.740 0.20 . 1 . . . . 87 ALA CB . 16670 1 317 . 1 1 29 29 ALA N N 15 121.496 0.20 . 1 . . . . 87 ALA N . 16670 1 318 . 1 1 30 30 ASN H H 1 7.856 0.02 . 1 . . . . 88 ASN HN . 16670 1 319 . 1 1 30 30 ASN HA H 1 4.512 0.02 . 1 . . . . 88 ASN HA . 16670 1 320 . 1 1 30 30 ASN HB2 H 1 2.818 0.02 . 1 . . . . 88 ASN HB2 . 16670 1 321 . 1 1 30 30 ASN HB3 H 1 2.806 0.02 . 1 . . . . 88 ASN HB3 . 16670 1 322 . 1 1 30 30 ASN HD21 H 1 7.592 0.02 . 1 . . . . 88 ASN HD21 . 16670 1 323 . 1 1 30 30 ASN HD22 H 1 6.887 0.02 . 1 . . . . 88 ASN HD22 . 16670 1 324 . 1 1 30 30 ASN CA C 13 54.480 0.20 . 1 . . . . 88 ASN CA . 16670 1 325 . 1 1 30 30 ASN CB C 13 38.039 0.20 . 1 . . . . 88 ASN CB . 16670 1 326 . 1 1 30 30 ASN N N 15 115.794 0.20 . 1 . . . . 88 ASN N . 16670 1 327 . 1 1 30 30 ASN ND2 N 15 111.940 0.20 . 1 . . . . 88 ASN ND2 . 16670 1 328 . 1 1 31 31 LYS H H 1 7.868 0.02 . 1 . . . . 89 LYS HN . 16670 1 329 . 1 1 31 31 LYS HA H 1 4.147 0.02 . 1 . . . . 89 LYS HA . 16670 1 330 . 1 1 31 31 LYS HB2 H 1 1.782 0.02 . 1 . . . . 89 LYS HB2 . 16670 1 331 . 1 1 31 31 LYS HB3 H 1 1.789 0.02 . 1 . . . . 89 LYS HB3 . 16670 1 332 . 1 1 31 31 LYS HD2 H 1 1.530 0.02 . 1 . . . . 89 LYS HD2 . 16670 1 333 . 1 1 31 31 LYS HD3 H 1 1.538 0.02 . 1 . . . . 89 LYS HD3 . 16670 1 334 . 1 1 31 31 LYS HE2 H 1 2.724 0.02 . 1 . . . . 89 LYS HE2 . 16670 1 335 . 1 1 31 31 LYS HE3 H 1 2.767 0.02 . 1 . . . . 89 LYS HE3 . 16670 1 336 . 1 1 31 31 LYS HG2 H 1 1.323 0.02 . 1 . . . . 89 LYS HG2 . 16670 1 337 . 1 1 31 31 LYS HG3 H 1 1.391 0.02 . 1 . . . . 89 LYS HG3 . 16670 1 338 . 1 1 31 31 LYS CA C 13 56.808 0.20 . 1 . . . . 89 LYS CA . 16670 1 339 . 1 1 31 31 LYS CB C 13 31.880 0.20 . 1 . . . . 89 LYS CB . 16670 1 340 . 1 1 31 31 LYS CD C 13 28.138 0.20 . 1 . . . . 89 LYS CD . 16670 1 341 . 1 1 31 31 LYS CE C 13 41.661 0.20 . 1 . . . . 89 LYS CE . 16670 1 342 . 1 1 31 31 LYS CG C 13 24.118 0.20 . 1 . . . . 89 LYS CG . 16670 1 343 . 1 1 31 31 LYS N N 15 120.220 0.20 . 1 . . . . 89 LYS N . 16670 1 344 . 1 1 32 32 ALA H H 1 8.088 0.02 . 1 . . . . 90 ALA HN . 16670 1 345 . 1 1 32 32 ALA HA H 1 4.112 0.02 . 1 . . . . 90 ALA HA . 16670 1 346 . 1 1 32 32 ALA HB1 H 1 1.257 0.02 . 1 . . . . 90 ALA QB . 16670 1 347 . 1 1 32 32 ALA HB2 H 1 1.257 0.02 . 1 . . . . 90 ALA QB . 16670 1 348 . 1 1 32 32 ALA HB3 H 1 1.257 0.02 . 1 . . . . 90 ALA QB . 16670 1 349 . 1 1 32 32 ALA CA C 13 52.773 0.20 . 1 . . . . 90 ALA CA . 16670 1 350 . 1 1 32 32 ALA CB C 13 18.684 0.20 . 1 . . . . 90 ALA CB . 16670 1 351 . 1 1 32 32 ALA N N 15 122.068 0.20 . 1 . . . . 90 ALA N . 16670 1 352 . 1 1 33 33 HIS H H 1 8.008 0.02 . 1 . . . . 91 HIS HN . 16670 1 353 . 1 1 33 33 HIS HA H 1 4.599 0.02 . 1 . . . . 91 HIS HA . 16670 1 354 . 1 1 33 33 HIS HB2 H 1 3.147 0.02 . 1 . . . . 91 HIS HB2 . 16670 1 355 . 1 1 33 33 HIS HB3 H 1 3.238 0.02 . 1 . . . . 91 HIS HB3 . 16670 1 356 . 1 1 33 33 HIS CA C 13 55.787 0.20 . 1 . . . . 91 HIS CA . 16670 1 357 . 1 1 33 33 HIS CB C 13 29.223 0.20 . 1 . . . . 91 HIS CB . 16670 1 358 . 1 1 33 33 HIS N N 15 116.596 0.20 . 1 . . . . 91 HIS N . 16670 1 359 . 1 1 34 34 SER H H 1 8.241 0.02 . 1 . . . . 92 SER HN . 16670 1 360 . 1 1 34 34 SER HA H 1 4.396 0.02 . 1 . . . . 92 SER HA . 16670 1 361 . 1 1 34 34 SER HB2 H 1 3.857 0.02 . 1 . . . . 92 SER HB2 . 16670 1 362 . 1 1 34 34 SER HB3 H 1 3.836 0.02 . 1 . . . . 92 SER HB3 . 16670 1 363 . 1 1 34 34 SER CA C 13 58.417 0.20 . 1 . . . . 92 SER CA . 16670 1 364 . 1 1 34 34 SER CB C 13 63.312 0.20 . 1 . . . . 92 SER CB . 16670 1 365 . 1 1 34 34 SER N N 15 116.413 0.20 . 1 . . . . 92 SER N . 16670 1 366 . 1 1 35 35 ARG H H 1 8.445 0.02 . 1 . . . . 93 ARG HN . 16670 1 367 . 1 1 35 35 ARG HA H 1 4.400 0.02 . 1 . . . . 93 ARG HA . 16670 1 368 . 1 1 35 35 ARG HB2 H 1 1.760 0.02 . 1 . . . . 93 ARG HB2 . 16670 1 369 . 1 1 35 35 ARG HB3 H 1 1.881 0.02 . 1 . . . . 93 ARG HB3 . 16670 1 370 . 1 1 35 35 ARG HD2 H 1 3.162 0.02 . 1 . . . . 93 ARG HD2 . 16670 1 371 . 1 1 35 35 ARG HD3 H 1 3.152 0.02 . 1 . . . . 93 ARG HD3 . 16670 1 372 . 1 1 35 35 ARG HG2 H 1 1.619 0.02 . 1 . . . . 93 ARG HG2 . 16670 1 373 . 1 1 35 35 ARG HG3 H 1 1.628 0.02 . 1 . . . . 93 ARG HG3 . 16670 1 374 . 1 1 35 35 ARG CA C 13 56.029 0.20 . 1 . . . . 93 ARG CA . 16670 1 375 . 1 1 35 35 ARG CB C 13 30.197 0.20 . 1 . . . . 93 ARG CB . 16670 1 376 . 1 1 35 35 ARG CD C 13 42.911 0.20 . 1 . . . . 93 ARG CD . 16670 1 377 . 1 1 35 35 ARG CG C 13 26.681 0.20 . 1 . . . . 93 ARG CG . 16670 1 378 . 1 1 35 35 ARG N N 15 122.581 0.20 . 1 . . . . 93 ARG N . 16670 1 379 . 1 1 36 36 SER H H 1 8.363 0.02 . 1 . . . . 94 SER HN . 16670 1 380 . 1 1 36 36 SER HA H 1 4.485 0.02 . 1 . . . . 94 SER HA . 16670 1 381 . 1 1 36 36 SER HB2 H 1 3.832 0.02 . 1 . . . . 94 SER HB2 . 16670 1 382 . 1 1 36 36 SER HB3 H 1 3.905 0.02 . 1 . . . . 94 SER HB3 . 16670 1 383 . 1 1 36 36 SER CA C 13 58.123 0.20 . 1 . . . . 94 SER CA . 16670 1 384 . 1 1 36 36 SER CB C 13 63.463 0.20 . 1 . . . . 94 SER CB . 16670 1 385 . 1 1 36 36 SER N N 15 116.541 0.20 . 1 . . . . 94 SER N . 16670 1 386 . 1 1 37 37 SER H H 1 8.439 0.02 . 1 . . . . 95 SER HN . 16670 1 387 . 1 1 37 37 SER HA H 1 4.476 0.02 . 1 . . . . 95 SER HA . 16670 1 388 . 1 1 37 37 SER HB2 H 1 3.898 0.02 . 1 . . . . 95 SER HB2 . 16670 1 389 . 1 1 37 37 SER HB3 H 1 3.845 0.02 . 1 . . . . 95 SER HB3 . 16670 1 390 . 1 1 37 37 SER CA C 13 58.400 0.20 . 1 . . . . 95 SER CA . 16670 1 391 . 1 1 37 37 SER CB C 13 63.324 0.20 . 1 . . . . 95 SER CB . 16670 1 392 . 1 1 37 37 SER N N 15 118.035 0.20 . 1 . . . . 95 SER N . 16670 1 393 . 1 1 38 38 SER H H 1 8.368 0.02 . 1 . . . . 96 SER HN . 16670 1 394 . 1 1 38 38 SER HA H 1 4.457 0.02 . 1 . . . . 96 SER HA . 16670 1 395 . 1 1 38 38 SER HB2 H 1 3.835 0.02 . 1 . . . . 96 SER HB2 . 16670 1 396 . 1 1 38 38 SER HB3 H 1 3.899 0.02 . 1 . . . . 96 SER HB3 . 16670 1 397 . 1 1 38 38 SER CA C 13 58.355 0.20 . 1 . . . . 96 SER CA . 16670 1 398 . 1 1 38 38 SER CB C 13 63.624 0.20 . 1 . . . . 96 SER CB . 16670 1 399 . 1 1 38 38 SER N N 15 117.191 0.20 . 1 . . . . 96 SER N . 16670 1 400 . 1 1 39 39 GLY H H 1 8.334 0.02 . 1 . . . . 97 GLY HN . 16670 1 401 . 1 1 39 39 GLY HA2 H 1 3.899 0.02 . 1 . . . . 97 GLY HA1 . 16670 1 402 . 1 1 39 39 GLY HA3 H 1 3.967 0.02 . 1 . . . . 97 GLY HA2 . 16670 1 403 . 1 1 39 39 GLY CA C 13 44.998 0.20 . 1 . . . . 97 GLY CA . 16670 1 404 . 1 1 39 39 GLY N N 15 110.617 0.20 . 1 . . . . 97 GLY N . 16670 1 405 . 1 1 40 40 GLU H H 1 8.233 0.02 . 1 . . . . 98 GLU HN . 16670 1 406 . 1 1 40 40 GLU HA H 1 4.318 0.02 . 1 . . . . 98 GLU HA . 16670 1 407 . 1 1 40 40 GLU HB2 H 1 2.007 0.02 . 1 . . . . 98 GLU HB2 . 16670 1 408 . 1 1 40 40 GLU HB3 H 1 1.855 0.02 . 1 . . . . 98 GLU HB3 . 16670 1 409 . 1 1 40 40 GLU HG2 H 1 2.190 0.02 . 1 . . . . 98 GLU HG2 . 16670 1 410 . 1 1 40 40 GLU HG3 H 1 2.208 0.02 . 1 . . . . 98 GLU HG3 . 16670 1 411 . 1 1 40 40 GLU CA C 13 56.068 0.20 . 1 . . . . 98 GLU CA . 16670 1 412 . 1 1 40 40 GLU CB C 13 29.629 0.20 . 1 . . . . 98 GLU CB . 16670 1 413 . 1 1 40 40 GLU CG C 13 35.711 0.20 . 1 . . . . 98 GLU CG . 16670 1 414 . 1 1 40 40 GLU N N 15 120.369 0.20 . 1 . . . . 98 GLU N . 16670 1 415 . 1 1 41 41 THR H H 1 8.320 0.02 . 1 . . . . 99 THR HN . 16670 1 416 . 1 1 41 41 THR HA H 1 4.524 0.02 . 1 . . . . 99 THR HA . 16670 1 417 . 1 1 41 41 THR HB H 1 4.074 0.02 . 1 . . . . 99 THR HB . 16670 1 418 . 1 1 41 41 THR HG21 H 1 1.182 0.02 . 1 . . . . 99 THR QG2 . 16670 1 419 . 1 1 41 41 THR HG22 H 1 1.182 0.02 . 1 . . . . 99 THR QG2 . 16670 1 420 . 1 1 41 41 THR HG23 H 1 1.182 0.02 . 1 . . . . 99 THR QG2 . 16670 1 421 . 1 1 41 41 THR CA C 13 59.596 0.20 . 1 . . . . 99 THR CA . 16670 1 422 . 1 1 41 41 THR CB C 13 69.449 0.20 . 1 . . . . 99 THR CB . 16670 1 423 . 1 1 41 41 THR CG2 C 13 20.876 0.20 . 1 . . . . 99 THR CG2 . 16670 1 424 . 1 1 41 41 THR N N 15 118.286 0.20 . 1 . . . . 99 THR N . 16670 1 425 . 1 1 42 42 PRO HA H 1 4.316 0.02 . 1 . . . . 100 PRO HA . 16670 1 426 . 1 1 42 42 PRO HB2 H 1 2.183 0.02 . 1 . . . . 100 PRO HB2 . 16670 1 427 . 1 1 42 42 PRO HB3 H 1 1.780 0.02 . 1 . . . . 100 PRO HB3 . 16670 1 428 . 1 1 42 42 PRO HD2 H 1 3.525 0.02 . 1 . . . . 100 PRO HD2 . 16670 1 429 . 1 1 42 42 PRO HD3 H 1 3.670 0.02 . 1 . . . . 100 PRO HD3 . 16670 1 430 . 1 1 42 42 PRO HG2 H 1 1.904 0.02 . 1 . . . . 100 PRO HG2 . 16670 1 431 . 1 1 42 42 PRO HG3 H 1 1.925 0.02 . 1 . . . . 100 PRO HG3 . 16670 1 432 . 1 1 42 42 PRO CA C 13 62.732 0.20 . 1 . . . . 100 PRO CA . 16670 1 433 . 1 1 42 42 PRO CB C 13 31.682 0.20 . 1 . . . . 100 PRO CB . 16670 1 434 . 1 1 42 42 PRO CD C 13 50.196 0.20 . 1 . . . . 100 PRO CD . 16670 1 435 . 1 1 42 42 PRO CG C 13 26.913 0.20 . 1 . . . . 100 PRO CG . 16670 1 436 . 1 1 43 43 ALA H H 1 8.417 0.02 . 1 . . . . 101 ALA HN . 16670 1 437 . 1 1 43 43 ALA HA H 1 4.205 0.02 . 1 . . . . 101 ALA HA . 16670 1 438 . 1 1 43 43 ALA HB1 H 1 1.297 0.02 . 1 . . . . 101 ALA QB . 16670 1 439 . 1 1 43 43 ALA HB2 H 1 1.297 0.02 . 1 . . . . 101 ALA QB . 16670 1 440 . 1 1 43 43 ALA HB3 H 1 1.297 0.02 . 1 . . . . 101 ALA QB . 16670 1 441 . 1 1 43 43 ALA CA C 13 52.133 0.20 . 1 . . . . 101 ALA CA . 16670 1 442 . 1 1 43 43 ALA CB C 13 18.569 0.20 . 1 . . . . 101 ALA CB . 16670 1 443 . 1 1 43 43 ALA N N 15 124.817 0.20 . 1 . . . . 101 ALA N . 16670 1 444 . 1 1 44 44 GLN H H 1 8.314 0.02 . 1 . . . . 102 GLN HN . 16670 1 445 . 1 1 44 44 GLN HA H 1 4.537 0.02 . 1 . . . . 102 GLN HA . 16670 1 446 . 1 1 44 44 GLN HB2 H 1 1.791 0.02 . 1 . . . . 102 GLN HB2 . 16670 1 447 . 1 1 44 44 GLN HB3 H 1 1.962 0.02 . 1 . . . . 102 GLN HB3 . 16670 1 448 . 1 1 44 44 GLN HE21 H 1 7.535 0.02 . 1 . . . . 102 GLN HE21 . 16670 1 449 . 1 1 44 44 GLN HE22 H 1 6.792 0.02 . 1 . . . . 102 GLN HE22 . 16670 1 450 . 1 1 44 44 GLN HG2 H 1 2.258 0.02 . 1 . . . . 102 GLN HG2 . 16670 1 451 . 1 1 44 44 GLN HG3 H 1 2.270 0.02 . 1 . . . . 102 GLN HG3 . 16670 1 452 . 1 1 44 44 GLN CA C 13 52.936 0.20 . 1 . . . . 102 GLN CA . 16670 1 453 . 1 1 44 44 GLN CB C 13 28.527 0.20 . 1 . . . . 102 GLN CB . 16670 1 454 . 1 1 44 44 GLN CG C 13 32.973 0.20 . 1 . . . . 102 GLN CG . 16670 1 455 . 1 1 44 44 GLN N N 15 120.466 0.20 . 1 . . . . 102 GLN N . 16670 1 456 . 1 1 44 44 GLN NE2 N 15 112.610 0.20 . 1 . . . . 102 GLN NE2 . 16670 1 457 . 1 1 45 45 PRO HA H 1 4.353 0.02 . 1 . . . . 103 PRO HA . 16670 1 458 . 1 1 45 45 PRO HB2 H 1 1.833 0.02 . 1 . . . . 103 PRO HB2 . 16670 1 459 . 1 1 45 45 PRO HB3 H 1 2.248 0.02 . 1 . . . . 103 PRO HB3 . 16670 1 460 . 1 1 45 45 PRO HD2 H 1 3.618 0.02 . 1 . . . . 103 PRO HD2 . 16670 1 461 . 1 1 45 45 PRO HD3 H 1 3.785 0.02 . 1 . . . . 103 PRO HD3 . 16670 1 462 . 1 1 45 45 PRO HG2 H 1 1.906 0.02 . 1 . . . . 103 PRO HG2 . 16670 1 463 . 1 1 45 45 PRO HG3 H 1 1.952 0.02 . 1 . . . . 103 PRO HG3 . 16670 1 464 . 1 1 45 45 PRO CA C 13 62.680 0.20 . 1 . . . . 103 PRO CA . 16670 1 465 . 1 1 45 45 PRO CB C 13 31.583 0.20 . 1 . . . . 103 PRO CB . 16670 1 466 . 1 1 45 45 PRO CD C 13 50.840 0.20 . 1 . . . . 103 PRO CD . 16670 1 467 . 1 1 45 45 PRO CG C 13 26.979 0.20 . 1 . . . . 103 PRO CG . 16670 1 468 . 1 1 46 46 GLU H H 1 8.589 0.02 . 1 . . . . 104 GLU HN . 16670 1 469 . 1 1 46 46 GLU HA H 1 4.093 0.02 . 1 . . . . 104 GLU HA . 16670 1 470 . 1 1 46 46 GLU HB2 H 1 1.888 0.02 . 1 . . . . 104 GLU HB2 . 16670 1 471 . 1 1 46 46 GLU HB3 H 1 1.901 0.02 . 1 . . . . 104 GLU HB3 . 16670 1 472 . 1 1 46 46 GLU HG2 H 1 2.199 0.02 . 1 . . . . 104 GLU HG2 . 16670 1 473 . 1 1 46 46 GLU HG3 H 1 2.146 0.02 . 1 . . . . 104 GLU HG3 . 16670 1 474 . 1 1 46 46 GLU CA C 13 56.662 0.20 . 1 . . . . 104 GLU CA . 16670 1 475 . 1 1 46 46 GLU CB C 13 29.687 0.20 . 1 . . . . 104 GLU CB . 16670 1 476 . 1 1 46 46 GLU CG C 13 35.744 0.20 . 1 . . . . 104 GLU CG . 16670 1 477 . 1 1 46 46 GLU N N 15 121.832 0.20 . 1 . . . . 104 GLU N . 16670 1 478 . 1 1 47 47 LYS H H 1 8.683 0.02 . 1 . . . . 105 LYS HN . 16670 1 479 . 1 1 47 47 LYS HA H 1 4.566 0.02 . 1 . . . . 105 LYS HA . 16670 1 480 . 1 1 47 47 LYS HB2 H 1 1.768 0.02 . 1 . . . . 105 LYS HB2 . 16670 1 481 . 1 1 47 47 LYS HB3 H 1 1.775 0.02 . 1 . . . . 105 LYS HB3 . 16670 1 482 . 1 1 47 47 LYS HD2 H 1 1.532 0.02 . 1 . . . . 105 LYS HD2 . 16670 1 483 . 1 1 47 47 LYS HD3 H 1 1.557 0.02 . 1 . . . . 105 LYS HD3 . 16670 1 484 . 1 1 47 47 LYS HE2 H 1 2.717 0.02 . 1 . . . . 105 LYS HE2 . 16670 1 485 . 1 1 47 47 LYS HE3 H 1 2.763 0.02 . 1 . . . . 105 LYS HE3 . 16670 1 486 . 1 1 47 47 LYS HG2 H 1 1.362 0.02 . 1 . . . . 105 LYS HG2 . 16670 1 487 . 1 1 47 47 LYS HG3 H 1 1.369 0.02 . 1 . . . . 105 LYS HG3 . 16670 1 488 . 1 1 47 47 LYS CA C 13 54.854 0.20 . 1 . . . . 105 LYS CA . 16670 1 489 . 1 1 47 47 LYS CB C 13 32.822 0.20 . 1 . . . . 105 LYS CB . 16670 1 490 . 1 1 47 47 LYS CD C 13 28.025 0.20 . 1 . . . . 105 LYS CD . 16670 1 491 . 1 1 47 47 LYS CE C 13 41.578 0.20 . 1 . . . . 105 LYS CE . 16670 1 492 . 1 1 47 47 LYS CG C 13 24.234 0.20 . 1 . . . . 105 LYS CG . 16670 1 493 . 1 1 47 47 LYS N N 15 122.529 0.20 . 1 . . . . 105 LYS N . 16670 1 494 . 1 1 48 48 THR H H 1 8.633 0.02 . 1 . . . . 106 THR HN . 16670 1 495 . 1 1 48 48 THR HA H 1 4.359 0.02 . 1 . . . . 106 THR HA . 16670 1 496 . 1 1 48 48 THR HB H 1 4.376 0.02 . 1 . . . . 106 THR HB . 16670 1 497 . 1 1 48 48 THR HG21 H 1 1.113 0.02 . 1 . . . . 106 THR QG2 . 16670 1 498 . 1 1 48 48 THR HG22 H 1 1.113 0.02 . 1 . . . . 106 THR QG2 . 16670 1 499 . 1 1 48 48 THR HG23 H 1 1.113 0.02 . 1 . . . . 106 THR QG2 . 16670 1 500 . 1 1 48 48 THR CA C 13 61.734 0.20 . 1 . . . . 106 THR CA . 16670 1 501 . 1 1 48 48 THR CB C 13 69.309 0.20 . 1 . . . . 106 THR CB . 16670 1 502 . 1 1 48 48 THR CG2 C 13 21.254 0.20 . 1 . . . . 106 THR CG2 . 16670 1 503 . 1 1 48 48 THR N N 15 111.792 0.20 . 1 . . . . 106 THR N . 16670 1 504 . 1 1 49 49 SER H H 1 7.627 0.02 . 1 . . . . 107 SER HN . 16670 1 505 . 1 1 49 49 SER HA H 1 4.891 0.02 . 1 . . . . 107 SER HA . 16670 1 506 . 1 1 49 49 SER HB2 H 1 3.873 0.02 . 1 . . . . 107 SER HB2 . 16670 1 507 . 1 1 49 49 SER HB3 H 1 4.237 0.02 . 1 . . . . 107 SER HB3 . 16670 1 508 . 1 1 49 49 SER CA C 13 55.858 0.20 . 1 . . . . 107 SER CA . 16670 1 509 . 1 1 49 49 SER CB C 13 65.969 0.20 . 1 . . . . 107 SER CB . 16670 1 510 . 1 1 49 49 SER N N 15 115.354 0.20 . 1 . . . . 107 SER N . 16670 1 511 . 1 1 50 50 GLY H H 1 9.656 0.02 . 1 . . . . 108 GLY HN . 16670 1 512 . 1 1 50 50 GLY HA2 H 1 3.523 0.02 . 1 . . . . 108 GLY HA1 . 16670 1 513 . 1 1 50 50 GLY HA3 H 1 3.579 0.02 . 1 . . . . 108 GLY HA2 . 16670 1 514 . 1 1 50 50 GLY CA C 13 47.853 0.20 . 1 . . . . 108 GLY CA . 16670 1 515 . 1 1 50 50 GLY N N 15 113.258 0.20 . 1 . . . . 108 GLY N . 16670 1 516 . 1 1 51 51 MET H H 1 9.027 0.02 . 1 . . . . 109 MET HN . 16670 1 517 . 1 1 51 51 MET HA H 1 4.065 0.02 . 1 . . . . 109 MET HA . 16670 1 518 . 1 1 51 51 MET HB2 H 1 2.048 0.02 . 1 . . . . 109 MET HB2 . 16670 1 519 . 1 1 51 51 MET HB3 H 1 2.150 0.02 . 1 . . . . 109 MET HB3 . 16670 1 520 . 1 1 51 51 MET HE1 H 1 2.099 0.02 . 1 . . . . 109 MET QE . 16670 1 521 . 1 1 51 51 MET HE2 H 1 2.099 0.02 . 1 . . . . 109 MET QE . 16670 1 522 . 1 1 51 51 MET HE3 H 1 2.099 0.02 . 1 . . . . 109 MET QE . 16670 1 523 . 1 1 51 51 MET HG2 H 1 2.490 0.02 . 1 . . . . 109 MET HG2 . 16670 1 524 . 1 1 51 51 MET HG3 H 1 2.511 0.02 . 1 . . . . 109 MET HG3 . 16670 1 525 . 1 1 51 51 MET CA C 13 59.055 0.20 . 1 . . . . 109 MET CA . 16670 1 526 . 1 1 51 51 MET CB C 13 31.821 0.20 . 1 . . . . 109 MET CB . 16670 1 527 . 1 1 51 51 MET CE C 13 16.155 0.20 . 1 . . . . 109 MET CE . 16670 1 528 . 1 1 51 51 MET CG C 13 31.728 0.20 . 1 . . . . 109 MET CG . 16670 1 529 . 1 1 51 51 MET N N 15 120.630 0.20 . 1 . . . . 109 MET N . 16670 1 530 . 1 1 52 52 GLU H H 1 7.727 0.02 . 1 . . . . 110 GLU HN . 16670 1 531 . 1 1 52 52 GLU HA H 1 4.069 0.02 . 1 . . . . 110 GLU HA . 16670 1 532 . 1 1 52 52 GLU HB2 H 1 2.044 0.02 . 1 . . . . 110 GLU HB2 . 16670 1 533 . 1 1 52 52 GLU HB3 H 1 2.155 0.02 . 1 . . . . 110 GLU HB3 . 16670 1 534 . 1 1 52 52 GLU HG2 H 1 2.407 0.02 . 1 . . . . 110 GLU HG2 . 16670 1 535 . 1 1 52 52 GLU HG3 H 1 2.395 0.02 . 1 . . . . 110 GLU HG3 . 16670 1 536 . 1 1 52 52 GLU CA C 13 59.086 0.20 . 1 . . . . 110 GLU CA . 16670 1 537 . 1 1 52 52 GLU CB C 13 30.166 0.20 . 1 . . . . 110 GLU CB . 16670 1 538 . 1 1 52 52 GLU CG C 13 31.633 0.20 . 1 . . . . 110 GLU CG . 16670 1 539 . 1 1 52 52 GLU N N 15 119.464 0.20 . 1 . . . . 110 GLU N . 16670 1 540 . 1 1 53 53 VAL H H 1 8.180 0.02 . 1 . . . . 111 VAL HN . 16670 1 541 . 1 1 53 53 VAL HA H 1 3.672 0.02 . 1 . . . . 111 VAL HA . 16670 1 542 . 1 1 53 53 VAL HB H 1 2.137 0.02 . 1 . . . . 111 VAL HB . 16670 1 543 . 1 1 53 53 VAL HG11 H 1 1.031 0.02 . 2 . . . . 111 VAL QG1 . 16670 1 544 . 1 1 53 53 VAL HG12 H 1 1.031 0.02 . 2 . . . . 111 VAL QG1 . 16670 1 545 . 1 1 53 53 VAL HG13 H 1 1.031 0.02 . 2 . . . . 111 VAL QG1 . 16670 1 546 . 1 1 53 53 VAL HG21 H 1 1.059 0.02 . 2 . . . . 111 VAL QG2 . 16670 1 547 . 1 1 53 53 VAL HG22 H 1 1.059 0.02 . 2 . . . . 111 VAL QG2 . 16670 1 548 . 1 1 53 53 VAL HG23 H 1 1.059 0.02 . 2 . . . . 111 VAL QG2 . 16670 1 549 . 1 1 53 53 VAL CA C 13 66.570 0.20 . 1 . . . . 111 VAL CA . 16670 1 550 . 1 1 53 53 VAL CB C 13 30.963 0.20 . 1 . . . . 111 VAL CB . 16670 1 551 . 1 1 53 53 VAL CG1 C 13 23.315 0.20 . 1 . . . . 111 VAL CG1 . 16670 1 552 . 1 1 53 53 VAL CG2 C 13 21.846 0.20 . 1 . . . . 111 VAL CG2 . 16670 1 553 . 1 1 53 53 VAL N N 15 120.313 0.20 . 1 . . . . 111 VAL N . 16670 1 554 . 1 1 54 54 ALA H H 1 8.665 0.02 . 1 . . . . 112 ALA HN . 16670 1 555 . 1 1 54 54 ALA HA H 1 3.849 0.02 . 1 . . . . 112 ALA HA . 16670 1 556 . 1 1 54 54 ALA HB1 H 1 1.505 0.02 . 1 . . . . 112 ALA QB . 16670 1 557 . 1 1 54 54 ALA HB2 H 1 1.505 0.02 . 1 . . . . 112 ALA QB . 16670 1 558 . 1 1 54 54 ALA HB3 H 1 1.505 0.02 . 1 . . . . 112 ALA QB . 16670 1 559 . 1 1 54 54 ALA CA C 13 55.656 0.20 . 1 . . . . 112 ALA CA . 16670 1 560 . 1 1 54 54 ALA CB C 13 17.809 0.20 . 1 . . . . 112 ALA CB . 16670 1 561 . 1 1 54 54 ALA N N 15 121.234 0.20 . 1 . . . . 112 ALA N . 16670 1 562 . 1 1 55 55 SER H H 1 8.216 0.02 . 1 . . . . 113 SER HN . 16670 1 563 . 1 1 55 55 SER CA C 13 61.782 0.20 . 1 . . . . 113 SER CA . 16670 1 564 . 1 1 55 55 SER N N 15 111.404 0.20 . 1 . . . . 113 SER N . 16670 1 565 . 1 1 56 56 TYR H H 1 7.818 0.02 . 1 . . . . 114 TYR HN . 16670 1 566 . 1 1 56 56 TYR HA H 1 4.351 0.02 . 1 . . . . 114 TYR HA . 16670 1 567 . 1 1 56 56 TYR HB2 H 1 3.172 0.02 . 1 . . . . 114 TYR HB2 . 16670 1 568 . 1 1 56 56 TYR HB3 H 1 3.242 0.02 . 1 . . . . 114 TYR HB3 . 16670 1 569 . 1 1 56 56 TYR HD1 H 1 7.103 0.02 . 3 . . . . 114 TYR HD1 . 16670 1 570 . 1 1 56 56 TYR HE1 H 1 6.779 0.02 . 3 . . . . 114 TYR HE1 . 16670 1 571 . 1 1 56 56 TYR CA C 13 60.668 0.20 . 1 . . . . 114 TYR CA . 16670 1 572 . 1 1 56 56 TYR CB C 13 37.493 0.20 . 1 . . . . 114 TYR CB . 16670 1 573 . 1 1 56 56 TYR CD1 C 13 133.424 0.20 . 3 . . . . 114 TYR CD1 . 16670 1 574 . 1 1 56 56 TYR CE1 C 13 118.062 0.20 . 3 . . . . 114 TYR CE1 . 16670 1 575 . 1 1 56 56 TYR N N 15 122.897 0.20 . 1 . . . . 114 TYR N . 16670 1 576 . 1 1 57 57 LEU H H 1 8.536 0.02 . 1 . . . . 115 LEU HN . 16670 1 577 . 1 1 57 57 LEU HA H 1 3.884 0.02 . 1 . . . . 115 LEU HA . 16670 1 578 . 1 1 57 57 LEU HB2 H 1 2.182 0.02 . 1 . . . . 115 LEU HB2 . 16670 1 579 . 1 1 57 57 LEU HB3 H 1 2.039 0.02 . 1 . . . . 115 LEU HB3 . 16670 1 580 . 1 1 57 57 LEU HD11 H 1 0.994 0.02 . 2 . . . . 115 LEU QD1 . 16670 1 581 . 1 1 57 57 LEU HD12 H 1 0.994 0.02 . 2 . . . . 115 LEU QD1 . 16670 1 582 . 1 1 57 57 LEU HD13 H 1 0.994 0.02 . 2 . . . . 115 LEU QD1 . 16670 1 583 . 1 1 57 57 LEU HD21 H 1 1.067 0.02 . 2 . . . . 115 LEU QD2 . 16670 1 584 . 1 1 57 57 LEU HD22 H 1 1.067 0.02 . 2 . . . . 115 LEU QD2 . 16670 1 585 . 1 1 57 57 LEU HD23 H 1 1.067 0.02 . 2 . . . . 115 LEU QD2 . 16670 1 586 . 1 1 57 57 LEU HG H 1 1.369 0.02 . 1 . . . . 115 LEU HG . 16670 1 587 . 1 1 57 57 LEU CA C 13 57.702 0.20 . 1 . . . . 115 LEU CA . 16670 1 588 . 1 1 57 57 LEU CB C 13 42.376 0.20 . 1 . . . . 115 LEU CB . 16670 1 589 . 1 1 57 57 LEU CD1 C 13 25.961 0.20 . 1 . . . . 115 LEU CD1 . 16670 1 590 . 1 1 57 57 LEU CD2 C 13 23.478 0.20 . 1 . . . . 115 LEU CD2 . 16670 1 591 . 1 1 57 57 LEU N N 15 119.470 0.20 . 1 . . . . 115 LEU N . 16670 1 592 . 1 1 58 58 VAL H H 1 8.289 0.02 . 1 . . . . 116 VAL HN . 16670 1 593 . 1 1 58 58 VAL HA H 1 3.278 0.02 . 1 . . . . 116 VAL HA . 16670 1 594 . 1 1 58 58 VAL HB H 1 1.873 0.02 . 1 . . . . 116 VAL HB . 16670 1 595 . 1 1 58 58 VAL HG11 H 1 0.775 0.02 . 2 . . . . 116 VAL QG1 . 16670 1 596 . 1 1 58 58 VAL HG12 H 1 0.775 0.02 . 2 . . . . 116 VAL QG1 . 16670 1 597 . 1 1 58 58 VAL HG13 H 1 0.775 0.02 . 2 . . . . 116 VAL QG1 . 16670 1 598 . 1 1 58 58 VAL HG21 H 1 0.945 0.02 . 2 . . . . 116 VAL QG2 . 16670 1 599 . 1 1 58 58 VAL HG22 H 1 0.945 0.02 . 2 . . . . 116 VAL QG2 . 16670 1 600 . 1 1 58 58 VAL HG23 H 1 0.945 0.02 . 2 . . . . 116 VAL QG2 . 16670 1 601 . 1 1 58 58 VAL CA C 13 66.513 0.20 . 1 . . . . 116 VAL CA . 16670 1 602 . 1 1 58 58 VAL CB C 13 30.963 0.20 . 1 . . . . 116 VAL CB . 16670 1 603 . 1 1 58 58 VAL CG1 C 13 21.104 0.20 . 1 . . . . 116 VAL CG1 . 16670 1 604 . 1 1 58 58 VAL CG2 C 13 23.069 0.20 . 1 . . . . 116 VAL CG2 . 16670 1 605 . 1 1 58 58 VAL N N 15 117.991 0.20 . 1 . . . . 116 VAL N . 16670 1 606 . 1 1 59 59 ALA H H 1 7.863 0.02 . 1 . . . . 117 ALA HN . 16670 1 607 . 1 1 59 59 ALA HA H 1 3.983 0.02 . 1 . . . . 117 ALA HA . 16670 1 608 . 1 1 59 59 ALA HB1 H 1 1.402 0.02 . 1 . . . . 117 ALA QB . 16670 1 609 . 1 1 59 59 ALA HB2 H 1 1.402 0.02 . 1 . . . . 117 ALA QB . 16670 1 610 . 1 1 59 59 ALA HB3 H 1 1.402 0.02 . 1 . . . . 117 ALA QB . 16670 1 611 . 1 1 59 59 ALA CA C 13 54.822 0.20 . 1 . . . . 117 ALA CA . 16670 1 612 . 1 1 59 59 ALA CB C 13 17.531 0.20 . 1 . . . . 117 ALA CB . 16670 1 613 . 1 1 59 59 ALA N N 15 123.142 0.20 . 1 . . . . 117 ALA N . 16670 1 614 . 1 1 60 60 GLN H H 1 7.834 0.02 . 1 . . . . 118 GLN HN . 16670 1 615 . 1 1 60 60 GLN HA H 1 3.722 0.02 . 1 . . . . 118 GLN HA . 16670 1 616 . 1 1 60 60 GLN HB3 H 1 1.263 0.02 . 1 . . . . 118 GLN HB3 . 16670 1 617 . 1 1 60 60 GLN HE21 H 1 6.667 0.02 . 2 . . . . 118 GLN QE2 . 16670 1 618 . 1 1 60 60 GLN HE22 H 1 6.667 0.02 . 2 . . . . 118 GLN QE2 . 16670 1 619 . 1 1 60 60 GLN HG2 H 1 1.525 0.02 . 1 . . . . 118 GLN HG2 . 16670 1 620 . 1 1 60 60 GLN HG3 H 1 1.504 0.02 . 1 . . . . 118 GLN HG3 . 16670 1 621 . 1 1 60 60 GLN CA C 13 57.229 0.20 . 1 . . . . 118 GLN CA . 16670 1 622 . 1 1 60 60 GLN CB C 13 28.388 0.20 . 1 . . . . 118 GLN CB . 16670 1 623 . 1 1 60 60 GLN CG C 13 32.285 0.20 . 1 . . . . 118 GLN CG . 16670 1 624 . 1 1 60 60 GLN N N 15 114.419 0.20 . 1 . . . . 118 GLN N . 16670 1 625 . 1 1 60 60 GLN NE2 N 15 111.330 0.20 . 1 . . . . 118 GLN NE2 . 16670 1 626 . 1 1 61 61 TYR H H 1 8.055 0.02 . 1 . . . . 119 TYR HN . 16670 1 627 . 1 1 61 61 TYR HD1 H 1 7.085 0.02 . 3 . . . . 119 TYR HD1 . 16670 1 628 . 1 1 61 61 TYR HE1 H 1 6.617 0.02 . 3 . . . . 119 TYR HE1 . 16670 1 629 . 1 1 61 61 TYR CA C 13 58.141 0.20 . 1 . . . . 119 TYR CA . 16670 1 630 . 1 1 61 61 TYR CB C 13 40.068 0.20 . 1 . . . . 119 TYR CB . 16670 1 631 . 1 1 61 61 TYR CD1 C 13 132.623 0.20 . 3 . . . . 119 TYR CD1 . 16670 1 632 . 1 1 61 61 TYR CE1 C 13 117.782 0.20 . 3 . . . . 119 TYR CE1 . 16670 1 633 . 1 1 61 61 TYR N N 15 113.233 0.20 . 1 . . . . 119 TYR N . 16670 1 634 . 1 1 62 62 GLY H H 1 8.024 0.02 . 1 . . . . 120 GLY HN . 16670 1 635 . 1 1 62 62 GLY HA2 H 1 3.925 0.02 . 1 . . . . 120 GLY HA1 . 16670 1 636 . 1 1 62 62 GLY HA3 H 1 4.562 0.02 . 1 . . . . 120 GLY HA2 . 16670 1 637 . 1 1 62 62 GLY CA C 13 44.014 0.20 . 1 . . . . 120 GLY CA . 16670 1 638 . 1 1 62 62 GLY N N 15 110.392 0.20 . 1 . . . . 120 GLY N . 16670 1 639 . 1 1 63 63 GLU H H 1 8.844 0.02 . 1 . . . . 121 GLU HN . 16670 1 640 . 1 1 63 63 GLU HA H 1 3.857 0.02 . 1 . . . . 121 GLU HA . 16670 1 641 . 1 1 63 63 GLU HB2 H 1 2.099 0.02 . 1 . . . . 121 GLU HB2 . 16670 1 642 . 1 1 63 63 GLU HB3 H 1 2.113 0.02 . 1 . . . . 121 GLU HB3 . 16670 1 643 . 1 1 63 63 GLU HG2 H 1 2.464 0.02 . 1 . . . . 121 GLU HG2 . 16670 1 644 . 1 1 63 63 GLU HG3 H 1 2.330 0.02 . 1 . . . . 121 GLU HG3 . 16670 1 645 . 1 1 63 63 GLU CA C 13 61.460 0.20 . 1 . . . . 121 GLU CA . 16670 1 646 . 1 1 63 63 GLU CB C 13 29.780 0.20 . 1 . . . . 121 GLU CB . 16670 1 647 . 1 1 63 63 GLU CG C 13 36.792 0.20 . 1 . . . . 121 GLU CG . 16670 1 648 . 1 1 63 63 GLU N N 15 118.969 0.20 . 1 . . . . 121 GLU N . 16670 1 649 . 1 1 64 64 GLN H H 1 8.450 0.02 . 1 . . . . 122 GLN HN . 16670 1 650 . 1 1 64 64 GLN HA H 1 4.056 0.02 . 1 . . . . 122 GLN HA . 16670 1 651 . 1 1 64 64 GLN HB2 H 1 2.035 0.02 . 1 . . . . 122 GLN HB2 . 16670 1 652 . 1 1 64 64 GLN HB3 H 1 2.124 0.02 . 1 . . . . 122 GLN HB3 . 16670 1 653 . 1 1 64 64 GLN HG2 H 1 2.391 0.02 . 1 . . . . 122 GLN HG2 . 16670 1 654 . 1 1 64 64 GLN HG3 H 1 2.404 0.02 . 1 . . . . 122 GLN HG3 . 16670 1 655 . 1 1 64 64 GLN CA C 13 59.174 0.20 . 1 . . . . 122 GLN CA . 16670 1 656 . 1 1 64 64 GLN CB C 13 27.970 0.20 . 1 . . . . 122 GLN CB . 16670 1 657 . 1 1 64 64 GLN CG C 13 33.545 0.20 . 1 . . . . 122 GLN CG . 16670 1 658 . 1 1 64 64 GLN N N 15 117.719 0.20 . 1 . . . . 122 GLN N . 16670 1 659 . 1 1 65 65 ARG H H 1 8.847 0.02 . 1 . . . . 123 ARG HN . 16670 1 660 . 1 1 65 65 ARG HA H 1 4.131 0.02 . 1 . . . . 123 ARG HA . 16670 1 661 . 1 1 65 65 ARG HB2 H 1 1.890 0.02 . 1 . . . . 123 ARG HB2 . 16670 1 662 . 1 1 65 65 ARG HB3 H 1 1.919 0.02 . 1 . . . . 123 ARG HB3 . 16670 1 663 . 1 1 65 65 ARG HD2 H 1 3.304 0.02 . 1 . . . . 123 ARG HD2 . 16670 1 664 . 1 1 65 65 ARG HD3 H 1 3.292 0.02 . 1 . . . . 123 ARG HD3 . 16670 1 665 . 1 1 65 65 ARG HG2 H 1 1.605 0.02 . 1 . . . . 123 ARG HG2 . 16670 1 666 . 1 1 65 65 ARG HG3 H 1 1.684 0.02 . 1 . . . . 123 ARG HG3 . 16670 1 667 . 1 1 65 65 ARG CA C 13 58.180 0.20 . 1 . . . . 123 ARG CA . 16670 1 668 . 1 1 65 65 ARG CB C 13 28.527 0.20 . 1 . . . . 123 ARG CB . 16670 1 669 . 1 1 65 65 ARG CD C 13 43.055 0.20 . 1 . . . . 123 ARG CD . 16670 1 670 . 1 1 65 65 ARG CG C 13 26.906 0.20 . 1 . . . . 123 ARG CG . 16670 1 671 . 1 1 65 65 ARG N N 15 119.380 0.20 . 1 . . . . 123 ARG N . 16670 1 672 . 1 1 66 66 ALA H H 1 8.287 0.02 . 1 . . . . 124 ALA HN . 16670 1 673 . 1 1 66 66 ALA HA H 1 3.714 0.02 . 1 . . . . 124 ALA HA . 16670 1 674 . 1 1 66 66 ALA HB1 H 1 1.375 0.02 . 1 . . . . 124 ALA QB . 16670 1 675 . 1 1 66 66 ALA HB2 H 1 1.375 0.02 . 1 . . . . 124 ALA QB . 16670 1 676 . 1 1 66 66 ALA HB3 H 1 1.375 0.02 . 1 . . . . 124 ALA QB . 16670 1 677 . 1 1 66 66 ALA CA C 13 55.785 0.20 . 1 . . . . 124 ALA CA . 16670 1 678 . 1 1 66 66 ALA CB C 13 18.714 0.20 . 1 . . . . 124 ALA CB . 16670 1 679 . 1 1 66 66 ALA N N 15 119.959 0.20 . 1 . . . . 124 ALA N . 16670 1 680 . 1 1 67 67 TRP H H 1 7.687 0.02 . 1 . . . . 125 TRP HN . 16670 1 681 . 1 1 67 67 TRP HA H 1 4.104 0.02 . 1 . . . . 125 TRP HA . 16670 1 682 . 1 1 67 67 TRP HB2 H 1 3.379 0.02 . 1 . . . . 125 TRP HB2 . 16670 1 683 . 1 1 67 67 TRP HB3 H 1 3.339 0.02 . 1 . . . . 125 TRP HB3 . 16670 1 684 . 1 1 67 67 TRP HD1 H 1 7.325 0.02 . 1 . . . . 125 TRP HD1 . 16670 1 685 . 1 1 67 67 TRP HE1 H 1 10.250 0.02 . 1 . . . . 125 TRP HE1 . 16670 1 686 . 1 1 67 67 TRP CA C 13 60.439 0.20 . 1 . . . . 125 TRP CA . 16670 1 687 . 1 1 67 67 TRP CB C 13 28.597 0.20 . 1 . . . . 125 TRP CB . 16670 1 688 . 1 1 67 67 TRP CD1 C 13 127.494 0.20 . 1 . . . . 125 TRP CD1 . 16670 1 689 . 1 1 67 67 TRP N N 15 116.489 0.20 . 1 . . . . 125 TRP N . 16670 1 690 . 1 1 67 67 TRP NE1 N 15 129.180 0.20 . 1 . . . . 125 TRP NE1 . 16670 1 691 . 1 1 68 68 ASP H H 1 8.092 0.02 . 1 . . . . 126 ASP HN . 16670 1 692 . 1 1 68 68 ASP HA H 1 4.163 0.02 . 1 . . . . 126 ASP HA . 16670 1 693 . 1 1 68 68 ASP HB2 H 1 2.585 0.02 . 1 . . . . 126 ASP HB2 . 16670 1 694 . 1 1 68 68 ASP HB3 H 1 2.699 0.02 . 1 . . . . 126 ASP HB3 . 16670 1 695 . 1 1 68 68 ASP CA C 13 57.593 0.20 . 1 . . . . 126 ASP CA . 16670 1 696 . 1 1 68 68 ASP CB C 13 40.706 0.20 . 1 . . . . 126 ASP CB . 16670 1 697 . 1 1 68 68 ASP N N 15 118.121 0.20 . 1 . . . . 126 ASP N . 16670 1 698 . 1 1 69 69 LEU H H 1 8.546 0.02 . 1 . . . . 127 LEU HN . 16670 1 699 . 1 1 69 69 LEU HA H 1 3.815 0.02 . 1 . . . . 127 LEU HA . 16670 1 700 . 1 1 69 69 LEU HB2 H 1 1.539 0.02 . 1 . . . . 127 LEU HB2 . 16670 1 701 . 1 1 69 69 LEU HB3 H 1 0.999 0.02 . 1 . . . . 127 LEU HB3 . 16670 1 702 . 1 1 69 69 LEU HD11 H 1 0.431 0.02 . 2 . . . . 127 LEU QD1 . 16670 1 703 . 1 1 69 69 LEU HD12 H 1 0.431 0.02 . 2 . . . . 127 LEU QD1 . 16670 1 704 . 1 1 69 69 LEU HD13 H 1 0.431 0.02 . 2 . . . . 127 LEU QD1 . 16670 1 705 . 1 1 69 69 LEU HD21 H 1 0.062 0.02 . 2 . . . . 127 LEU QD2 . 16670 1 706 . 1 1 69 69 LEU HD22 H 1 0.062 0.02 . 2 . . . . 127 LEU QD2 . 16670 1 707 . 1 1 69 69 LEU HD23 H 1 0.062 0.02 . 2 . . . . 127 LEU QD2 . 16670 1 708 . 1 1 69 69 LEU HG H 1 1.321 0.02 . 1 . . . . 127 LEU HG . 16670 1 709 . 1 1 69 69 LEU CA C 13 57.228 0.20 . 1 . . . . 127 LEU CA . 16670 1 710 . 1 1 69 69 LEU CB C 13 41.541 0.20 . 1 . . . . 127 LEU CB . 16670 1 711 . 1 1 69 69 LEU CD1 C 13 22.805 0.20 . 1 . . . . 127 LEU CD1 . 16670 1 712 . 1 1 69 69 LEU CD2 C 13 23.949 0.20 . 1 . . . . 127 LEU CD2 . 16670 1 713 . 1 1 69 69 LEU CG C 13 26.264 0.20 . 1 . . . . 127 LEU CG . 16670 1 714 . 1 1 69 69 LEU N N 15 120.096 0.20 . 1 . . . . 127 LEU N . 16670 1 715 . 1 1 70 70 ALA H H 1 8.362 0.02 . 1 . . . . 128 ALA HN . 16670 1 716 . 1 1 70 70 ALA HA H 1 3.405 0.02 . 1 . . . . 128 ALA HA . 16670 1 717 . 1 1 70 70 ALA HB1 H 1 0.563 0.02 . 1 . . . . 128 ALA QB . 16670 1 718 . 1 1 70 70 ALA HB2 H 1 0.563 0.02 . 1 . . . . 128 ALA QB . 16670 1 719 . 1 1 70 70 ALA HB3 H 1 0.563 0.02 . 1 . . . . 128 ALA QB . 16670 1 720 . 1 1 70 70 ALA CA C 13 55.371 0.20 . 1 . . . . 128 ALA CA . 16670 1 721 . 1 1 70 70 ALA CB C 13 17.285 0.20 . 1 . . . . 128 ALA CB . 16670 1 722 . 1 1 70 70 ALA N N 15 126.100 0.20 . 1 . . . . 128 ALA N . 16670 1 723 . 1 1 71 71 LEU H H 1 8.031 0.02 . 1 . . . . 129 LEU HN . 16670 1 724 . 1 1 71 71 LEU HA H 1 3.697 0.02 . 1 . . . . 129 LEU HA . 16670 1 725 . 1 1 71 71 LEU HB2 H 1 1.340 0.02 . 1 . . . . 129 LEU HB2 . 16670 1 726 . 1 1 71 71 LEU HB3 H 1 1.392 0.02 . 1 . . . . 129 LEU HB3 . 16670 1 727 . 1 1 71 71 LEU HD11 H 1 0.721 0.02 . 2 . . . . 129 LEU QD1 . 16670 1 728 . 1 1 71 71 LEU HD12 H 1 0.721 0.02 . 2 . . . . 129 LEU QD1 . 16670 1 729 . 1 1 71 71 LEU HD13 H 1 0.721 0.02 . 2 . . . . 129 LEU QD1 . 16670 1 730 . 1 1 71 71 LEU HD21 H 1 0.819 0.02 . 2 . . . . 129 LEU QD2 . 16670 1 731 . 1 1 71 71 LEU HD22 H 1 0.819 0.02 . 2 . . . . 129 LEU QD2 . 16670 1 732 . 1 1 71 71 LEU HD23 H 1 0.819 0.02 . 2 . . . . 129 LEU QD2 . 16670 1 733 . 1 1 71 71 LEU HG H 1 1.369 0.02 . 1 . . . . 129 LEU HG . 16670 1 734 . 1 1 71 71 LEU CA C 13 57.905 0.20 . 1 . . . . 129 LEU CA . 16670 1 735 . 1 1 71 71 LEU CB C 13 41.124 0.20 . 1 . . . . 129 LEU CB . 16670 1 736 . 1 1 71 71 LEU CD1 C 13 24.656 0.20 . 1 . . . . 129 LEU CD1 . 16670 1 737 . 1 1 71 71 LEU CD2 C 13 23.926 0.20 . 1 . . . . 129 LEU CD2 . 16670 1 738 . 1 1 71 71 LEU CG C 13 26.893 0.20 . 1 . . . . 129 LEU CG . 16670 1 739 . 1 1 71 71 LEU N N 15 117.283 0.20 . 1 . . . . 129 LEU N . 16670 1 740 . 1 1 72 72 HIS H H 1 7.691 0.02 . 1 . . . . 130 HIS HN . 16670 1 741 . 1 1 72 72 HIS HA H 1 4.215 0.02 . 1 . . . . 130 HIS HA . 16670 1 742 . 1 1 72 72 HIS HB2 H 1 3.090 0.02 . 1 . . . . 130 HIS HB2 . 16670 1 743 . 1 1 72 72 HIS HB3 H 1 3.073 0.02 . 1 . . . . 130 HIS HB3 . 16670 1 744 . 1 1 72 72 HIS HD2 H 1 7.074 0.02 . 1 . . . . 130 HIS HD2 . 16670 1 745 . 1 1 72 72 HIS CA C 13 59.329 0.20 . 1 . . . . 130 HIS CA . 16670 1 746 . 1 1 72 72 HIS CB C 13 28.875 0.20 . 1 . . . . 130 HIS CB . 16670 1 747 . 1 1 72 72 HIS N N 15 115.907 0.20 . 1 . . . . 130 HIS N . 16670 1 748 . 1 1 73 73 THR H H 1 7.937 0.02 . 1 . . . . 131 THR HN . 16670 1 749 . 1 1 73 73 THR HA H 1 3.748 0.02 . 1 . . . . 131 THR HA . 16670 1 750 . 1 1 73 73 THR HB H 1 3.892 0.02 . 1 . . . . 131 THR HB . 16670 1 751 . 1 1 73 73 THR HG21 H 1 0.948 0.02 . 1 . . . . 131 THR QG2 . 16670 1 752 . 1 1 73 73 THR HG22 H 1 0.948 0.02 . 1 . . . . 131 THR QG2 . 16670 1 753 . 1 1 73 73 THR HG23 H 1 0.948 0.02 . 1 . . . . 131 THR QG2 . 16670 1 754 . 1 1 73 73 THR CA C 13 67.395 0.20 . 1 . . . . 131 THR CA . 16670 1 755 . 1 1 73 73 THR CB C 13 67.352 0.20 . 1 . . . . 131 THR CB . 16670 1 756 . 1 1 73 73 THR CG2 C 13 22.540 0.20 . 1 . . . . 131 THR CG2 . 16670 1 757 . 1 1 73 73 THR N N 15 118.603 0.20 . 1 . . . . 131 THR N . 16670 1 758 . 1 1 74 74 TRP H H 1 9.076 0.02 . 1 . . . . 132 TRP HN . 16670 1 759 . 1 1 74 74 TRP HA H 1 4.656 0.02 . 1 . . . . 132 TRP HA . 16670 1 760 . 1 1 74 74 TRP HB2 H 1 3.110 0.02 . 1 . . . . 132 TRP HB2 . 16670 1 761 . 1 1 74 74 TRP HB3 H 1 3.492 0.02 . 1 . . . . 132 TRP HB3 . 16670 1 762 . 1 1 74 74 TRP HE1 H 1 10.410 0.02 . 1 . . . . 132 TRP HE1 . 16670 1 763 . 1 1 74 74 TRP CA C 13 58.985 0.20 . 1 . . . . 132 TRP CA . 16670 1 764 . 1 1 74 74 TRP CB C 13 28.527 0.20 . 1 . . . . 132 TRP CB . 16670 1 765 . 1 1 74 74 TRP N N 15 122.870 0.20 . 1 . . . . 132 TRP N . 16670 1 766 . 1 1 74 74 TRP NE1 N 15 131.110 0.20 . 1 . . . . 132 TRP NE1 . 16670 1 767 . 1 1 75 75 GLU H H 1 7.999 0.02 . 1 . . . . 133 GLU HN . 16670 1 768 . 1 1 75 75 GLU HA H 1 3.867 0.02 . 1 . . . . 133 GLU HA . 16670 1 769 . 1 1 75 75 GLU HB2 H 1 2.263 0.02 . 1 . . . . 133 GLU HB2 . 16670 1 770 . 1 1 75 75 GLU HB3 H 1 2.080 0.02 . 1 . . . . 133 GLU HB3 . 16670 1 771 . 1 1 75 75 GLU HG2 H 1 2.344 0.02 . 1 . . . . 133 GLU HG2 . 16670 1 772 . 1 1 75 75 GLU HG3 H 1 2.326 0.02 . 1 . . . . 133 GLU HG3 . 16670 1 773 . 1 1 75 75 GLU CA C 13 59.959 0.20 . 1 . . . . 133 GLU CA . 16670 1 774 . 1 1 75 75 GLU CB C 13 28.457 0.20 . 1 . . . . 133 GLU CB . 16670 1 775 . 1 1 75 75 GLU CG C 13 35.840 0.20 . 1 . . . . 133 GLU CG . 16670 1 776 . 1 1 75 75 GLU N N 15 119.198 0.20 . 1 . . . . 133 GLU N . 16670 1 777 . 1 1 76 76 GLN H H 1 7.877 0.02 . 1 . . . . 134 GLN HN . 16670 1 778 . 1 1 76 76 GLN HA H 1 4.016 0.02 . 1 . . . . 134 GLN HA . 16670 1 779 . 1 1 76 76 GLN HB2 H 1 2.198 0.02 . 1 . . . . 134 GLN HB2 . 16670 1 780 . 1 1 76 76 GLN HB3 H 1 2.177 0.02 . 1 . . . . 134 GLN HB3 . 16670 1 781 . 1 1 76 76 GLN HG2 H 1 2.396 0.02 . 1 . . . . 134 GLN HG2 . 16670 1 782 . 1 1 76 76 GLN HG3 H 1 2.410 0.02 . 1 . . . . 134 GLN HG3 . 16670 1 783 . 1 1 76 76 GLN CA C 13 58.590 0.20 . 1 . . . . 134 GLN CA . 16670 1 784 . 1 1 76 76 GLN CB C 13 27.784 0.20 . 1 . . . . 134 GLN CB . 16670 1 785 . 1 1 76 76 GLN CG C 13 33.149 0.20 . 1 . . . . 134 GLN CG . 16670 1 786 . 1 1 76 76 GLN N N 15 122.020 0.20 . 1 . . . . 134 GLN N . 16670 1 787 . 1 1 77 77 MET H H 1 8.110 0.02 . 1 . . . . 135 MET HN . 16670 1 788 . 1 1 77 77 MET HA H 1 4.174 0.02 . 1 . . . . 135 MET HA . 16670 1 789 . 1 1 77 77 MET HE1 H 1 1.974 0.02 . 1 . . . . 135 MET QE . 16670 1 790 . 1 1 77 77 MET HE2 H 1 1.974 0.02 . 1 . . . . 135 MET QE . 16670 1 791 . 1 1 77 77 MET HE3 H 1 1.974 0.02 . 1 . . . . 135 MET QE . 16670 1 792 . 1 1 77 77 MET CA C 13 56.883 0.20 . 1 . . . . 135 MET CA . 16670 1 793 . 1 1 77 77 MET CB C 13 35.069 0.20 . 1 . . . . 135 MET CB . 16670 1 794 . 1 1 77 77 MET CE C 13 16.887 0.20 . 1 . . . . 135 MET CE . 16670 1 795 . 1 1 77 77 MET N N 15 116.509 0.20 . 1 . . . . 135 MET N . 16670 1 796 . 1 1 78 78 GLY H H 1 7.927 0.02 . 1 . . . . 136 GLY HN . 16670 1 797 . 1 1 78 78 GLY HA2 H 1 3.835 0.02 . 1 . . . . 136 GLY HA1 . 16670 1 798 . 1 1 78 78 GLY HA3 H 1 4.238 0.02 . 1 . . . . 136 GLY HA2 . 16670 1 799 . 1 1 78 78 GLY CA C 13 45.298 0.20 . 1 . . . . 136 GLY CA . 16670 1 800 . 1 1 78 78 GLY N N 15 106.778 0.20 . 1 . . . . 136 GLY N . 16670 1 801 . 1 1 79 79 LEU H H 1 8.126 0.02 . 1 . . . . 137 LEU HN . 16670 1 802 . 1 1 79 79 LEU HA H 1 4.667 0.02 . 1 . . . . 137 LEU HA . 16670 1 803 . 1 1 79 79 LEU HB2 H 1 1.467 0.02 . 1 . . . . 137 LEU HB2 . 16670 1 804 . 1 1 79 79 LEU HB3 H 1 1.717 0.02 . 1 . . . . 137 LEU HB3 . 16670 1 805 . 1 1 79 79 LEU HD11 H 1 0.783 0.02 . 2 . . . . 137 LEU QD1 . 16670 1 806 . 1 1 79 79 LEU HD12 H 1 0.783 0.02 . 2 . . . . 137 LEU QD1 . 16670 1 807 . 1 1 79 79 LEU HD13 H 1 0.783 0.02 . 2 . . . . 137 LEU QD1 . 16670 1 808 . 1 1 79 79 LEU HD21 H 1 0.881 0.02 . 2 . . . . 137 LEU QD2 . 16670 1 809 . 1 1 79 79 LEU HD22 H 1 0.881 0.02 . 2 . . . . 137 LEU QD2 . 16670 1 810 . 1 1 79 79 LEU HD23 H 1 0.881 0.02 . 2 . . . . 137 LEU QD2 . 16670 1 811 . 1 1 79 79 LEU HG H 1 1.581 0.02 . 1 . . . . 137 LEU HG . 16670 1 812 . 1 1 79 79 LEU CA C 13 52.984 0.20 . 1 . . . . 137 LEU CA . 16670 1 813 . 1 1 79 79 LEU CB C 13 38.710 0.20 . 1 . . . . 137 LEU CB . 16670 1 814 . 1 1 79 79 LEU CD1 C 13 22.000 0.20 . 1 . . . . 137 LEU CD1 . 16670 1 815 . 1 1 79 79 LEU CD2 C 13 25.842 0.20 . 1 . . . . 137 LEU CD2 . 16670 1 816 . 1 1 79 79 LEU CG C 13 25.828 0.20 . 1 . . . . 137 LEU CG . 16670 1 817 . 1 1 79 79 LEU N N 15 123.646 0.20 . 1 . . . . 137 LEU N . 16670 1 818 . 1 1 80 80 ARG H H 1 7.883 0.02 . 1 . . . . 138 ARG HN . 16670 1 819 . 1 1 80 80 ARG HA H 1 3.939 0.02 . 1 . . . . 138 ARG HA . 16670 1 820 . 1 1 80 80 ARG HB2 H 1 1.851 0.02 . 1 . . . . 138 ARG HB2 . 16670 1 821 . 1 1 80 80 ARG HB3 H 1 1.863 0.02 . 1 . . . . 138 ARG HB3 . 16670 1 822 . 1 1 80 80 ARG HD2 H 1 3.208 0.02 . 1 . . . . 138 ARG HD2 . 16670 1 823 . 1 1 80 80 ARG HD3 H 1 3.222 0.02 . 1 . . . . 138 ARG HD3 . 16670 1 824 . 1 1 80 80 ARG HG2 H 1 1.628 0.02 . 1 . . . . 138 ARG HG2 . 16670 1 825 . 1 1 80 80 ARG HG3 H 1 1.647 0.02 . 1 . . . . 138 ARG HG3 . 16670 1 826 . 1 1 80 80 ARG CA C 13 59.393 0.20 . 1 . . . . 138 ARG CA . 16670 1 827 . 1 1 80 80 ARG CB C 13 29.641 0.20 . 1 . . . . 138 ARG CB . 16670 1 828 . 1 1 80 80 ARG CD C 13 42.733 0.20 . 1 . . . . 138 ARG CD . 16670 1 829 . 1 1 80 80 ARG CG C 13 27.088 0.20 . 1 . . . . 138 ARG CG . 16670 1 830 . 1 1 80 80 ARG N N 15 121.654 0.20 . 1 . . . . 138 ARG N . 16670 1 831 . 1 1 81 81 SER H H 1 8.693 0.02 . 1 . . . . 139 SER HN . 16670 1 832 . 1 1 81 81 SER HA H 1 4.213 0.02 . 1 . . . . 139 SER HA . 16670 1 833 . 1 1 81 81 SER HB2 H 1 3.874 0.02 . 1 . . . . 139 SER HB2 . 16670 1 834 . 1 1 81 81 SER HB3 H 1 3.861 0.02 . 1 . . . . 139 SER HB3 . 16670 1 835 . 1 1 81 81 SER CA C 13 60.774 0.20 . 1 . . . . 139 SER CA . 16670 1 836 . 1 1 81 81 SER CB C 13 61.724 0.20 . 1 . . . . 139 SER CB . 16670 1 837 . 1 1 81 81 SER N N 15 115.600 0.20 . 1 . . . . 139 SER N . 16670 1 838 . 1 1 82 82 LEU H H 1 7.511 0.02 . 1 . . . . 140 LEU HN . 16670 1 839 . 1 1 82 82 LEU HA H 1 3.909 0.02 . 1 . . . . 140 LEU HA . 16670 1 840 . 1 1 82 82 LEU HB2 H 1 1.317 0.02 . 1 . . . . 140 LEU HB2 . 16670 1 841 . 1 1 82 82 LEU HB3 H 1 1.216 0.02 . 1 . . . . 140 LEU HB3 . 16670 1 842 . 1 1 82 82 LEU HD11 H 1 -0.163 0.02 . 2 . . . . 140 LEU QD1 . 16670 1 843 . 1 1 82 82 LEU HD12 H 1 -0.163 0.02 . 2 . . . . 140 LEU QD1 . 16670 1 844 . 1 1 82 82 LEU HD13 H 1 -0.163 0.02 . 2 . . . . 140 LEU QD1 . 16670 1 845 . 1 1 82 82 LEU HD21 H 1 0.356 0.02 . 2 . . . . 140 LEU QD2 . 16670 1 846 . 1 1 82 82 LEU HD22 H 1 0.356 0.02 . 2 . . . . 140 LEU QD2 . 16670 1 847 . 1 1 82 82 LEU HD23 H 1 0.356 0.02 . 2 . . . . 140 LEU QD2 . 16670 1 848 . 1 1 82 82 LEU HG H 1 0.838 0.02 . 1 . . . . 140 LEU HG . 16670 1 849 . 1 1 82 82 LEU CA C 13 57.277 0.20 . 1 . . . . 140 LEU CA . 16670 1 850 . 1 1 82 82 LEU CB C 13 41.332 0.20 . 1 . . . . 140 LEU CB . 16670 1 851 . 1 1 82 82 LEU CD1 C 13 23.968 0.20 . 1 . . . . 140 LEU CD1 . 16670 1 852 . 1 1 82 82 LEU CD2 C 13 23.803 0.20 . 1 . . . . 140 LEU CD2 . 16670 1 853 . 1 1 82 82 LEU CG C 13 26.253 0.20 . 1 . . . . 140 LEU CG . 16670 1 854 . 1 1 82 82 LEU N N 15 124.703 0.20 . 1 . . . . 140 LEU N . 16670 1 855 . 1 1 83 83 CYS H H 1 7.697 0.02 . 1 . . . . 141 CYS HN . 16670 1 856 . 1 1 83 83 CYS HA H 1 4.030 0.02 . 1 . . . . 141 CYS HA . 16670 1 857 . 1 1 83 83 CYS HB2 H 1 2.911 0.02 . 1 . . . . 141 CYS HB2 . 16670 1 858 . 1 1 83 83 CYS HB3 H 1 3.050 0.02 . 1 . . . . 141 CYS HB3 . 16670 1 859 . 1 1 83 83 CYS CA C 13 62.860 0.20 . 1 . . . . 141 CYS CA . 16670 1 860 . 1 1 83 83 CYS CB C 13 26.439 0.20 . 1 . . . . 141 CYS CB . 16670 1 861 . 1 1 83 83 CYS N N 15 115.439 0.20 . 1 . . . . 141 CYS N . 16670 1 862 . 1 1 84 84 ALA H H 1 7.894 0.02 . 1 . . . . 142 ALA HN . 16670 1 863 . 1 1 84 84 ALA HA H 1 4.123 0.02 . 1 . . . . 142 ALA HA . 16670 1 864 . 1 1 84 84 ALA HB1 H 1 1.426 0.02 . 1 . . . . 142 ALA QB . 16670 1 865 . 1 1 84 84 ALA HB2 H 1 1.426 0.02 . 1 . . . . 142 ALA QB . 16670 1 866 . 1 1 84 84 ALA HB3 H 1 1.426 0.02 . 1 . . . . 142 ALA QB . 16670 1 867 . 1 1 84 84 ALA CA C 13 54.438 0.20 . 1 . . . . 142 ALA CA . 16670 1 868 . 1 1 84 84 ALA CB C 13 17.531 0.20 . 1 . . . . 142 ALA CB . 16670 1 869 . 1 1 84 84 ALA N N 15 121.189 0.20 . 1 . . . . 142 ALA N . 16670 1 870 . 1 1 85 85 GLN H H 1 7.932 0.02 . 1 . . . . 143 GLN HN . 16670 1 871 . 1 1 85 85 GLN HA H 1 4.054 0.02 . 1 . . . . 143 GLN HA . 16670 1 872 . 1 1 85 85 GLN HB2 H 1 2.087 0.02 . 1 . . . . 143 GLN HB2 . 16670 1 873 . 1 1 85 85 GLN HB3 H 1 2.131 0.02 . 1 . . . . 143 GLN HB3 . 16670 1 874 . 1 1 85 85 GLN HG2 H 1 2.389 0.02 . 1 . . . . 143 GLN HG2 . 16670 1 875 . 1 1 85 85 GLN HG3 H 1 2.410 0.02 . 1 . . . . 143 GLN HG3 . 16670 1 876 . 1 1 85 85 GLN CA C 13 58.032 0.20 . 1 . . . . 143 GLN CA . 16670 1 877 . 1 1 85 85 GLN CB C 13 28.388 0.20 . 1 . . . . 143 GLN CB . 16670 1 878 . 1 1 85 85 GLN CG C 13 33.563 0.20 . 1 . . . . 143 GLN CG . 16670 1 879 . 1 1 85 85 GLN N N 15 118.465 0.20 . 1 . . . . 143 GLN N . 16670 1 880 . 1 1 86 86 ALA H H 1 8.314 0.02 . 1 . . . . 144 ALA HN . 16670 1 881 . 1 1 86 86 ALA HA H 1 3.990 0.02 . 1 . . . . 144 ALA HA . 16670 1 882 . 1 1 86 86 ALA HB1 H 1 1.321 0.02 . 2 . . . . 144 ALA QB . 16670 1 883 . 1 1 86 86 ALA HB2 H 1 1.321 0.02 . 2 . . . . 144 ALA QB . 16670 1 884 . 1 1 86 86 ALA HB3 H 1 1.321 0.02 . 2 . . . . 144 ALA QB . 16670 1 885 . 1 1 86 86 ALA CA C 13 53.793 0.20 . 1 . . . . 144 ALA CA . 16670 1 886 . 1 1 86 86 ALA CB C 13 18.567 0.20 . 1 . . . . 144 ALA CB . 16670 1 887 . 1 1 86 86 ALA N N 15 121.803 0.20 . 1 . . . . 144 ALA N . 16670 1 888 . 1 1 87 87 GLN H H 1 7.883 0.02 . 1 . . . . 145 GLN HN . 16670 1 889 . 1 1 87 87 GLN HA H 1 4.262 0.02 . 1 . . . . 145 GLN HA . 16670 1 890 . 1 1 87 87 GLN HB2 H 1 2.075 0.02 . 1 . . . . 145 GLN HB2 . 16670 1 891 . 1 1 87 87 GLN HB3 H 1 2.158 0.02 . 1 . . . . 145 GLN HB3 . 16670 1 892 . 1 1 87 87 GLN HE21 H 1 7.317 0.02 . 1 . . . . 145 GLN HE21 . 16670 1 893 . 1 1 87 87 GLN HE22 H 1 6.874 0.02 . 1 . . . . 145 GLN HE22 . 16670 1 894 . 1 1 87 87 GLN HG2 H 1 2.368 0.02 . 1 . . . . 145 GLN HG2 . 16670 1 895 . 1 1 87 87 GLN HG3 H 1 2.498 0.02 . 1 . . . . 145 GLN HG3 . 16670 1 896 . 1 1 87 87 GLN CA C 13 56.870 0.20 . 1 . . . . 145 GLN CA . 16670 1 897 . 1 1 87 87 GLN CB C 13 29.077 0.20 . 1 . . . . 145 GLN CB . 16670 1 898 . 1 1 87 87 GLN CG C 13 34.004 0.20 . 1 . . . . 145 GLN CG . 16670 1 899 . 1 1 87 87 GLN N N 15 115.795 0.20 . 1 . . . . 145 GLN N . 16670 1 900 . 1 1 87 87 GLN NE2 N 15 111.670 0.20 . 1 . . . . 145 GLN NE2 . 16670 1 901 . 1 1 88 88 GLU H H 1 7.953 0.02 . 1 . . . . 146 GLU HN . 16670 1 902 . 1 1 88 88 GLU HA H 1 4.174 0.02 . 1 . . . . 146 GLU HA . 16670 1 903 . 1 1 88 88 GLU HB2 H 1 2.042 0.02 . 1 . . . . 146 GLU HB2 . 16670 1 904 . 1 1 88 88 GLU HB3 H 1 2.063 0.02 . 1 . . . . 146 GLU HB3 . 16670 1 905 . 1 1 88 88 GLU HG2 H 1 2.270 0.02 . 1 . . . . 146 GLU HG2 . 16670 1 906 . 1 1 88 88 GLU HG3 H 1 2.335 0.02 . 1 . . . . 146 GLU HG3 . 16670 1 907 . 1 1 88 88 GLU CA C 13 57.378 0.20 . 1 . . . . 146 GLU CA . 16670 1 908 . 1 1 88 88 GLU CB C 13 29.362 0.20 . 1 . . . . 146 GLU CB . 16670 1 909 . 1 1 88 88 GLU CG C 13 35.812 0.20 . 1 . . . . 146 GLU CG . 16670 1 910 . 1 1 88 88 GLU N N 15 120.303 0.20 . 1 . . . . 146 GLU N . 16670 1 911 . 1 1 89 89 GLY H H 1 8.328 0.02 . 1 . . . . 147 GLY HN . 16670 1 912 . 1 1 89 89 GLY HA2 H 1 3.928 0.02 . 1 . . . . 147 GLY HA1 . 16670 1 913 . 1 1 89 89 GLY HA3 H 1 3.905 0.02 . 1 . . . . 147 GLY HA2 . 16670 1 914 . 1 1 89 89 GLY CA C 13 45.449 0.20 . 1 . . . . 147 GLY CA . 16670 1 915 . 1 1 89 89 GLY N N 15 108.890 0.20 . 1 . . . . 147 GLY N . 16670 1 916 . 1 1 90 90 ALA H H 1 8.081 0.02 . 1 . . . . 148 ALA HN . 16670 1 917 . 1 1 90 90 ALA HA H 1 4.211 0.02 . 1 . . . . 148 ALA HA . 16670 1 918 . 1 1 90 90 ALA HB1 H 1 1.309 0.02 . 1 . . . . 148 ALA QB . 16670 1 919 . 1 1 90 90 ALA HB2 H 1 1.309 0.02 . 1 . . . . 148 ALA QB . 16670 1 920 . 1 1 90 90 ALA HB3 H 1 1.309 0.02 . 1 . . . . 148 ALA QB . 16670 1 921 . 1 1 90 90 ALA CA C 13 52.547 0.20 . 1 . . . . 148 ALA CA . 16670 1 922 . 1 1 90 90 ALA CB C 13 18.814 0.20 . 1 . . . . 148 ALA CB . 16670 1 923 . 1 1 90 90 ALA N N 15 123.245 0.20 . 1 . . . . 148 ALA N . 16670 1 924 . 1 1 91 91 GLY H H 1 8.310 0.02 . 1 . . . . 149 GLY HN . 16670 1 925 . 1 1 91 91 GLY HA2 H 1 3.835 0.02 . 1 . . . . 149 GLY HA1 . 16670 1 926 . 1 1 91 91 GLY HA3 H 1 3.850 0.02 . 1 . . . . 149 GLY HA2 . 16670 1 927 . 1 1 91 91 GLY CA C 13 45.189 0.20 . 1 . . . . 149 GLY CA . 16670 1 928 . 1 1 91 91 GLY N N 15 107.333 0.20 . 1 . . . . 149 GLY N . 16670 1 929 . 1 1 92 92 HIS H H 1 8.132 0.02 . 1 . . . . 150 HIS HN . 16670 1 930 . 1 1 92 92 HIS HA H 1 4.658 0.02 . 1 . . . . 150 HIS HA . 16670 1 931 . 1 1 92 92 HIS HB2 H 1 3.045 0.02 . 1 . . . . 150 HIS HB2 . 16670 1 932 . 1 1 92 92 HIS HB3 H 1 3.163 0.02 . 1 . . . . 150 HIS HB3 . 16670 1 933 . 1 1 92 92 HIS HD2 H 1 7.074 0.02 . 1 . . . . 150 HIS HD2 . 16670 1 934 . 1 1 92 92 HIS CA C 13 55.515 0.20 . 1 . . . . 150 HIS CA . 16670 1 935 . 1 1 92 92 HIS CB C 13 29.521 0.20 . 1 . . . . 150 HIS CB . 16670 1 936 . 1 1 92 92 HIS N N 15 118.417 0.20 . 1 . . . . 150 HIS N . 16670 1 937 . 1 1 93 93 SER H H 1 8.371 0.02 . 1 . . . . 151 SER HN . 16670 1 938 . 1 1 93 93 SER HA H 1 4.477 0.02 . 1 . . . . 151 SER HA . 16670 1 939 . 1 1 93 93 SER HB2 H 1 3.901 0.02 . 1 . . . . 151 SER HB2 . 16670 1 940 . 1 1 93 93 SER HB3 H 1 3.831 0.02 . 1 . . . . 151 SER HB3 . 16670 1 941 . 1 1 93 93 SER CA C 13 58.347 0.20 . 1 . . . . 151 SER CA . 16670 1 942 . 1 1 93 93 SER CB C 13 63.243 0.20 . 1 . . . . 151 SER CB . 16670 1 943 . 1 1 93 93 SER N N 15 116.808 0.20 . 1 . . . . 151 SER N . 16670 1 944 . 1 1 94 94 LEU H H 1 8.387 0.02 . 1 . . . . 152 LEU HN . 16670 1 945 . 1 1 94 94 LEU HA H 1 4.258 0.02 . 1 . . . . 152 LEU HA . 16670 1 946 . 1 1 94 94 LEU HB2 H 1 1.502 0.02 . 1 . . . . 152 LEU HB2 . 16670 1 947 . 1 1 94 94 LEU HB3 H 1 1.535 0.02 . 1 . . . . 152 LEU HB3 . 16670 1 948 . 1 1 94 94 LEU HD11 H 1 0.741 0.02 . 2 . . . . 152 LEU QD1 . 16670 1 949 . 1 1 94 94 LEU HD12 H 1 0.741 0.02 . 2 . . . . 152 LEU QD1 . 16670 1 950 . 1 1 94 94 LEU HD13 H 1 0.741 0.02 . 2 . . . . 152 LEU QD1 . 16670 1 951 . 1 1 94 94 LEU HD21 H 1 0.793 0.02 . 2 . . . . 152 LEU QD2 . 16670 1 952 . 1 1 94 94 LEU HD22 H 1 0.793 0.02 . 2 . . . . 152 LEU QD2 . 16670 1 953 . 1 1 94 94 LEU HD23 H 1 0.793 0.02 . 2 . . . . 152 LEU QD2 . 16670 1 954 . 1 1 94 94 LEU HG H 1 1.518 0.02 . 1 . . . . 152 LEU HG . 16670 1 955 . 1 1 94 94 LEU CA C 13 55.125 0.20 . 1 . . . . 152 LEU CA . 16670 1 956 . 1 1 94 94 LEU CB C 13 41.675 0.20 . 1 . . . . 152 LEU CB . 16670 1 957 . 1 1 94 94 LEU CD1 C 13 22.934 0.20 . 1 . . . . 152 LEU CD1 . 16670 1 958 . 1 1 94 94 LEU CD2 C 13 24.524 0.20 . 1 . . . . 152 LEU CD2 . 16670 1 959 . 1 1 94 94 LEU CG C 13 26.483 0.20 . 1 . . . . 152 LEU CG . 16670 1 960 . 1 1 94 94 LEU N N 15 123.895 0.20 . 1 . . . . 152 LEU N . 16670 1 961 . 1 1 95 95 GLU H H 1 8.239 0.02 . 1 . . . . 153 GLU HN . 16670 1 962 . 1 1 95 95 GLU HA H 1 4.133 0.02 . 1 . . . . 153 GLU HA . 16670 1 963 . 1 1 95 95 GLU HB2 H 1 1.828 0.02 . 1 . . . . 153 GLU HB2 . 16670 1 964 . 1 1 95 95 GLU HB3 H 1 1.858 0.02 . 1 . . . . 153 GLU HB3 . 16670 1 965 . 1 1 95 95 GLU HG2 H 1 2.105 0.02 . 1 . . . . 153 GLU HG2 . 16670 1 966 . 1 1 95 95 GLU HG3 H 1 2.148 0.02 . 1 . . . . 153 GLU HG3 . 16670 1 967 . 1 1 95 95 GLU CA C 13 56.396 0.20 . 1 . . . . 153 GLU CA . 16670 1 968 . 1 1 95 95 GLU CB C 13 29.757 0.20 . 1 . . . . 153 GLU CB . 16670 1 969 . 1 1 95 95 GLU CG C 13 35.664 0.20 . 1 . . . . 153 GLU CG . 16670 1 970 . 1 1 95 95 GLU N N 15 120.585 0.20 . 1 . . . . 153 GLU N . 16670 1 971 . 1 1 96 96 HIS H H 1 8.279 0.02 . 1 . . . . 154 HIS HN . 16670 1 972 . 1 1 96 96 HIS HA H 1 4.535 0.02 . 1 . . . . 154 HIS HA . 16670 1 973 . 1 1 96 96 HIS HB2 H 1 2.955 0.02 . 1 . . . . 154 HIS HB2 . 16670 1 974 . 1 1 96 96 HIS HB3 H 1 3.035 0.02 . 1 . . . . 154 HIS HB3 . 16670 1 975 . 1 1 96 96 HIS HD2 H 1 6.960 0.02 . 1 . . . . 154 HIS HD2 . 16670 1 976 . 1 1 96 96 HIS CA C 13 55.582 0.20 . 1 . . . . 154 HIS CA . 16670 1 977 . 1 1 96 96 HIS CB C 13 29.501 0.20 . 1 . . . . 154 HIS CB . 16670 1 978 . 1 1 96 96 HIS CD2 C 13 119.502 0.20 . 1 . . . . 154 HIS CD2 . 16670 1 979 . 1 1 96 96 HIS N N 15 119.518 0.20 . 1 . . . . 154 HIS N . 16670 1 980 . 1 1 97 97 HIS H H 1 8.204 0.02 . 1 . . . . 155 HIS HN . 16670 1 981 . 1 1 97 97 HIS HA H 1 4.408 0.02 . 1 . . . . 155 HIS HA . 16670 1 982 . 1 1 97 97 HIS HB2 H 1 3.031 0.02 . 1 . . . . 155 HIS HB2 . 16670 1 983 . 1 1 97 97 HIS HB3 H 1 3.169 0.02 . 1 . . . . 155 HIS HB3 . 16670 1 984 . 1 1 97 97 HIS HD2 H 1 6.984 0.02 . 1 . . . . 155 HIS HD2 . 16670 1 985 . 1 1 97 97 HIS CA C 13 57.014 0.20 . 1 . . . . 155 HIS CA . 16670 1 986 . 1 1 97 97 HIS CB C 13 29.708 0.20 . 1 . . . . 155 HIS CB . 16670 1 987 . 1 1 97 97 HIS N N 15 125.390 0.20 . 1 . . . . 155 HIS N . 16670 1 stop_ save_