data_11077 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11077 _Entry.Title ; Solution structure of the E. coli ribosome hibernation promoting factor HPF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-13 _Entry.Accession_date 2009-08-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 Akiko Sato . . . 11077 2 Masaki Mishima . . . 11077 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HPF . 11077 NMR . 11077 ribosome . 11077 'ribosome hibernation promoting factor' . 11077 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11077 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 312 11077 '15N chemical shifts' 94 11077 '1H chemical shifts' 641 11077 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 2 . . 2010-01-20 2009-08-13 update BMRB 'complete entry citation' 11077 1 . . 2009-10-14 2009-08-13 original author 'original release' 11077 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RQL 'BMRB Entry Tracking System' 11077 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11077 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19747895 _Citation.Full_citation . _Citation.Title 'Solution structure of the E. coli ribosome hibernation promoting factor HPF: Implications for the relationship between structure and function.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 389 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 580 _Citation.Page_last 585 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Akiko Sato . . . 11077 1 2 Takumi Watanabe . . . 11077 1 3 Yasushi Maki . . . 11077 1 4 Masami Ueta . . . 11077 1 5 Hideji Yoshida . . . 11077 1 6 Yutaka Ito . . . 11077 1 7 Akira Wada . . . 11077 1 8 Masaki Mishima . . . 11077 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11077 _Assembly.ID 1 _Assembly.Name HPF _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 HPF 1 $entity_1 A . yes native no no . . . 11077 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11077 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HPF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQLNITGNNVEITEALREFV TAKFAKLEQYFDRINQVYVV LKVEKVTHTSDATLHVNGGE IHASAEGQDMYAAIDGLIDK LARQLTKHKDKLKQH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The residue Met-1 is derived from the expression vector. Native protein sequence starts second Gln as Gln-1. ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10767.349 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RQL . "Solution Structure Of The E. Coli Ribosome Hibernation Promoting Factor Hpf" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 2 no PDB 3V26 . "Crystal Structure Of Hpf Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 30s Subunit With Bound Hpf Of T" . . . . . 100.00 101 100.00 100.00 7.12e-61 . . . . 11077 1 3 no PDB 3V28 . "Crystal Structure Of Hpf Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 30s Subunit With Bound Hpf Of T" . . . . . 100.00 101 100.00 100.00 7.12e-61 . . . . 11077 1 4 no DBJ BAA02316 . "rpoN [Escherichia coli K-12]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 5 no DBJ BAB37505 . "probable sigma-54 modulation protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 6 no DBJ BAE77247 . "predicted ribosome-associated, sigma 54 modulation protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 7 no DBJ BAG79011 . "putative sigma-54 modulation protein [Escherichia coli SE11]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 8 no DBJ BAI27481 . "predicted ribosome-associated, sigma 54 modulation protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 9 no EMBL CAA81618 . "unnamed protein product [Escherichia coli K-12]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 10 no EMBL CAP77663 . "sigma(54) modulation protein [Escherichia coli LF82]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 11 no EMBL CAQ33536 . "predicted ribosome-associated, sigma 54 modulation protein [Escherichia coli BL21(DE3)]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 12 no EMBL CAR00165 . "ribosome-associated, sigma 54 modulation protein [Escherichia coli IAI1]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 13 no EMBL CAR04813 . "ribosome-associated, sigma 54 modulation protein [Escherichia coli S88]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 14 no GB AAA58005 . "ORF_o95 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 15 no GB AAB60164 . "orf95 [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 16 no GB AAC76235 . "ribosome hibernation promoting factor HPF; stabilizes 100S dimers [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 17 no GB AAG58337 . "probable sigma-54 modulation protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 18 no GB AAN44709 . "probable sigma-54 modulation protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 19 no REF NP_312109 . "sigma(54) modulation protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 20 no REF NP_417670 . "ribosome hibernation promoting factor HPF; stabilizes 100S dimers [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 21 no REF NP_709002 . "ribosome hibernation promoting factor HPF [Shigella flexneri 2a str. 301]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 22 no REF WP_001176593 . "MULTISPECIES: ribosome hibernation promoting factor HPF [Shigella]" . . . . . 100.00 95 97.89 98.95 2.82e-59 . . . . 11077 1 23 no REF WP_001176595 . "ribosome hibernation promoting factor HPF [Escherichia coli]" . . . . . 100.00 95 98.95 98.95 5.68e-60 . . . . 11077 1 24 no SP P0AFX0 . "RecName: Full=Ribosome hibernation promoting factor" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 25 no SP P0AFX1 . "RecName: Full=Ribosome hibernation promoting factor" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 26 no SP P0AFX2 . "RecName: Full=Ribosome hibernation promoting factor" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 27 no SP P0AFX3 . "RecName: Full=Ribosome hibernation promoting factor" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 28 no TPD FAA00071 . "TPA: hibernation promoting factor [Escherichia coli]" . . . . . 100.00 95 100.00 100.00 3.19e-61 . . . . 11077 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 11077 1 2 . GLN . 11077 1 3 . LEU . 11077 1 4 . ASN . 11077 1 5 . ILE . 11077 1 6 . THR . 11077 1 7 . GLY . 11077 1 8 . ASN . 11077 1 9 . ASN . 11077 1 10 . VAL . 11077 1 11 . GLU . 11077 1 12 . ILE . 11077 1 13 . THR . 11077 1 14 . GLU . 11077 1 15 . ALA . 11077 1 16 . LEU . 11077 1 17 . ARG . 11077 1 18 . GLU . 11077 1 19 . PHE . 11077 1 20 . VAL . 11077 1 21 . THR . 11077 1 22 . ALA . 11077 1 23 . LYS . 11077 1 24 . PHE . 11077 1 25 . ALA . 11077 1 26 . LYS . 11077 1 27 . LEU . 11077 1 28 . GLU . 11077 1 29 . GLN . 11077 1 30 . TYR . 11077 1 31 . PHE . 11077 1 32 . ASP . 11077 1 33 . ARG . 11077 1 34 . ILE . 11077 1 35 . ASN . 11077 1 36 . GLN . 11077 1 37 . VAL . 11077 1 38 . TYR . 11077 1 39 . VAL . 11077 1 40 . VAL . 11077 1 41 . LEU . 11077 1 42 . LYS . 11077 1 43 . VAL . 11077 1 44 . GLU . 11077 1 45 . LYS . 11077 1 46 . VAL . 11077 1 47 . THR . 11077 1 48 . HIS . 11077 1 49 . THR . 11077 1 50 . SER . 11077 1 51 . ASP . 11077 1 52 . ALA . 11077 1 53 . THR . 11077 1 54 . LEU . 11077 1 55 . HIS . 11077 1 56 . VAL . 11077 1 57 . ASN . 11077 1 58 . GLY . 11077 1 59 . GLY . 11077 1 60 . GLU . 11077 1 61 . ILE . 11077 1 62 . HIS . 11077 1 63 . ALA . 11077 1 64 . SER . 11077 1 65 . ALA . 11077 1 66 . GLU . 11077 1 67 . GLY . 11077 1 68 . GLN . 11077 1 69 . ASP . 11077 1 70 . MET . 11077 1 71 . TYR . 11077 1 72 . ALA . 11077 1 73 . ALA . 11077 1 74 . ILE . 11077 1 75 . ASP . 11077 1 76 . GLY . 11077 1 77 . LEU . 11077 1 78 . ILE . 11077 1 79 . ASP . 11077 1 80 . LYS . 11077 1 81 . LEU . 11077 1 82 . ALA . 11077 1 83 . ARG . 11077 1 84 . GLN . 11077 1 85 . LEU . 11077 1 86 . THR . 11077 1 87 . LYS . 11077 1 88 . HIS . 11077 1 89 . LYS . 11077 1 90 . ASP . 11077 1 91 . LYS . 11077 1 92 . LEU . 11077 1 93 . LYS . 11077 1 94 . GLN . 11077 1 95 . HIS . 11077 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 11077 1 . GLN 2 2 11077 1 . LEU 3 3 11077 1 . ASN 4 4 11077 1 . ILE 5 5 11077 1 . THR 6 6 11077 1 . GLY 7 7 11077 1 . ASN 8 8 11077 1 . ASN 9 9 11077 1 . VAL 10 10 11077 1 . GLU 11 11 11077 1 . ILE 12 12 11077 1 . THR 13 13 11077 1 . GLU 14 14 11077 1 . ALA 15 15 11077 1 . LEU 16 16 11077 1 . ARG 17 17 11077 1 . GLU 18 18 11077 1 . PHE 19 19 11077 1 . VAL 20 20 11077 1 . THR 21 21 11077 1 . ALA 22 22 11077 1 . LYS 23 23 11077 1 . PHE 24 24 11077 1 . ALA 25 25 11077 1 . LYS 26 26 11077 1 . LEU 27 27 11077 1 . GLU 28 28 11077 1 . GLN 29 29 11077 1 . TYR 30 30 11077 1 . PHE 31 31 11077 1 . ASP 32 32 11077 1 . ARG 33 33 11077 1 . ILE 34 34 11077 1 . ASN 35 35 11077 1 . GLN 36 36 11077 1 . VAL 37 37 11077 1 . TYR 38 38 11077 1 . VAL 39 39 11077 1 . VAL 40 40 11077 1 . LEU 41 41 11077 1 . LYS 42 42 11077 1 . VAL 43 43 11077 1 . GLU 44 44 11077 1 . LYS 45 45 11077 1 . VAL 46 46 11077 1 . THR 47 47 11077 1 . HIS 48 48 11077 1 . THR 49 49 11077 1 . SER 50 50 11077 1 . ASP 51 51 11077 1 . ALA 52 52 11077 1 . THR 53 53 11077 1 . LEU 54 54 11077 1 . HIS 55 55 11077 1 . VAL 56 56 11077 1 . ASN 57 57 11077 1 . GLY 58 58 11077 1 . GLY 59 59 11077 1 . GLU 60 60 11077 1 . ILE 61 61 11077 1 . HIS 62 62 11077 1 . ALA 63 63 11077 1 . SER 64 64 11077 1 . ALA 65 65 11077 1 . GLU 66 66 11077 1 . GLY 67 67 11077 1 . GLN 68 68 11077 1 . ASP 69 69 11077 1 . MET 70 70 11077 1 . TYR 71 71 11077 1 . ALA 72 72 11077 1 . ALA 73 73 11077 1 . ILE 74 74 11077 1 . ASP 75 75 11077 1 . GLY 76 76 11077 1 . LEU 77 77 11077 1 . ILE 78 78 11077 1 . ASP 79 79 11077 1 . LYS 80 80 11077 1 . LEU 81 81 11077 1 . ALA 82 82 11077 1 . ARG 83 83 11077 1 . GLN 84 84 11077 1 . LEU 85 85 11077 1 . THR 86 86 11077 1 . LYS 87 87 11077 1 . HIS 88 88 11077 1 . LYS 89 89 11077 1 . ASP 90 90 11077 1 . LYS 91 91 11077 1 . LEU 92 92 11077 1 . LYS 93 93 11077 1 . GLN 94 94 11077 1 . HIS 95 95 11077 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 11077 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 11077 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 11077 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli M15 . . . . . . . . . . . . . . . pQE9 . . . . . . 11077 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11077 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 HPF '[U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 11077 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11077 1 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11077 1 4 H2O . . . . . . . 93 . . % . . . . 11077 1 5 D2O . . . . . . . 7 . . % . . . . 11077 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11077 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 HPF '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 11077 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11077 2 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11077 2 4 H2O . . . . . . . 93 . . % . . . . 11077 2 5 D2O . . . . . . . 7 . . % . . . . 11077 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11077 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 HPF '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 11077 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11077 3 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11077 3 4 D2O . . . . . . . 100 . . % . . . . 11077 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 11077 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 HPF '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 11077 4 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11077 4 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11077 4 4 'Pf1 phage' 'natural abundance' . . . . . . 15 . . mg/mL . . . . 11077 4 5 H2O . . . . . . . 93 . . % . . . . 11077 4 6 D2O . . . . . . . 7 . . % . . . . 11077 4 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 11077 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 11077 1 pH 6.9 . pH 11077 1 pressure 1 . atm 11077 1 temperature 303 . K 11077 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11077 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11077 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11077 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11077 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11077 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11077 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11077 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11077 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11077 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11077 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11077 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11077 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11077 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11077 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 11077 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 11077 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 3 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 4 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 5 '3D HNCO No.1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 7 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 8 '4D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 11 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 12 '3D HN(CO)HB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 1 13 '3D HNCO No.2' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11077 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 11077 _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 external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 11077 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.00 . . . 1 $entry_citation . . 1 $entry_citation 11077 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 11077 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 11077 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11077 1 2 '3D CBCA(CO)NH' 2 $sample_2 isotropic 11077 1 3 '3D CBCANH' 2 $sample_2 isotropic 11077 1 4 '3D HN(CA)CO' 2 $sample_2 isotropic 11077 1 5 '3D HNCO No.1' 2 $sample_2 isotropic 11077 1 6 '3D C(CO)NH' 2 $sample_2 isotropic 11077 1 7 '3D H(CCO)NH' 2 $sample_2 isotropic 11077 1 8 '4D H(CCO)NH' 2 $sample_2 isotropic 11077 1 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11077 1 10 '3D 1H-13C NOESY' 3 $sample_3 isotropic 11077 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 11077 1 4 $SPARKY . . 11077 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN H H 1 7.809 0.03 . 1 . . . . 2 GLN H . 11077 1 2 . 1 1 2 2 GLN HA H 1 4.394 0.03 . 1 . . . . 2 GLN HA . 11077 1 3 . 1 1 2 2 GLN HB2 H 1 1.834 0.03 . 2 . . . . 2 GLN HB2 . 11077 1 4 . 1 1 2 2 GLN HB3 H 1 1.859 0.03 . 2 . . . . 2 GLN HB3 . 11077 1 5 . 1 1 2 2 GLN HG2 H 1 2.138 0.03 . 2 . . . . 2 GLN HG2 . 11077 1 6 . 1 1 2 2 GLN HG3 H 1 2.188 0.03 . 2 . . . . 2 GLN HG3 . 11077 1 7 . 1 1 2 2 GLN CA C 13 55.124 0.3 . 1 . . . . 2 GLN CA . 11077 1 8 . 1 1 2 2 GLN CB C 13 30.385 0.3 . 1 . . . . 2 GLN CB . 11077 1 9 . 1 1 2 2 GLN CG C 13 33.648 0.3 . 1 . . . . 2 GLN CG . 11077 1 10 . 1 1 2 2 GLN N N 15 126.586 0.3 . 1 . . . . 2 GLN N . 11077 1 11 . 1 1 3 3 LEU H H 1 8.598 0.03 . 1 . . . . 3 LEU H . 11077 1 12 . 1 1 3 3 LEU HA H 1 4.38 0.03 . 1 . . . . 3 LEU HA . 11077 1 13 . 1 1 3 3 LEU HB2 H 1 1.302 0.03 . 2 . . . . 3 LEU HB2 . 11077 1 14 . 1 1 3 3 LEU HB3 H 1 1.12 0.03 . 2 . . . . 3 LEU HB3 . 11077 1 15 . 1 1 3 3 LEU HD11 H 1 0.341 0.03 . 2 . . . . 3 LEU QD1 . 11077 1 16 . 1 1 3 3 LEU HD12 H 1 0.341 0.03 . 2 . . . . 3 LEU QD1 . 11077 1 17 . 1 1 3 3 LEU HD13 H 1 0.341 0.03 . 2 . . . . 3 LEU QD1 . 11077 1 18 . 1 1 3 3 LEU HD21 H 1 0.344 0.03 . 2 . . . . 3 LEU QD2 . 11077 1 19 . 1 1 3 3 LEU HD22 H 1 0.344 0.03 . 2 . . . . 3 LEU QD2 . 11077 1 20 . 1 1 3 3 LEU HD23 H 1 0.344 0.03 . 2 . . . . 3 LEU QD2 . 11077 1 21 . 1 1 3 3 LEU HG H 1 1.089 0.03 . 1 . . . . 3 LEU HG . 11077 1 22 . 1 1 3 3 LEU CA C 13 54.59 0.3 . 1 . . . . 3 LEU CA . 11077 1 23 . 1 1 3 3 LEU CB C 13 43.701 0.3 . 1 . . . . 3 LEU CB . 11077 1 24 . 1 1 3 3 LEU CD1 C 13 25.197 0.3 . 2 . . . . 3 LEU CD1 . 11077 1 25 . 1 1 3 3 LEU CD2 C 13 25.61 0.3 . 2 . . . . 3 LEU CD2 . 11077 1 26 . 1 1 3 3 LEU CG C 13 27.553 0.3 . 1 . . . . 3 LEU CG . 11077 1 27 . 1 1 3 3 LEU N N 15 128.942 0.3 . 1 . . . . 3 LEU N . 11077 1 28 . 1 1 4 4 ASN H H 1 8.227 0.03 . 1 . . . . 4 ASN H . 11077 1 29 . 1 1 4 4 ASN HA H 1 4.864 0.03 . 1 . . . . 4 ASN HA . 11077 1 30 . 1 1 4 4 ASN HB2 H 1 2.579 0.03 . 2 . . . . 4 ASN HB2 . 11077 1 31 . 1 1 4 4 ASN HB3 H 1 2.561 0.03 . 2 . . . . 4 ASN HB3 . 11077 1 32 . 1 1 4 4 ASN CA C 13 52.628 0.3 . 1 . . . . 4 ASN CA . 11077 1 33 . 1 1 4 4 ASN CB C 13 41.258 0.3 . 1 . . . . 4 ASN CB . 11077 1 34 . 1 1 4 4 ASN N N 15 127.137 0.3 . 1 . . . . 4 ASN N . 11077 1 35 . 1 1 5 5 ILE H H 1 8.659 0.03 . 1 . . . . 5 ILE H . 11077 1 36 . 1 1 5 5 ILE HA H 1 4.901 0.03 . 1 . . . . 5 ILE HA . 11077 1 37 . 1 1 5 5 ILE HB H 1 1.548 0.03 . 1 . . . . 5 ILE HB . 11077 1 38 . 1 1 5 5 ILE HD11 H 1 0.726 0.03 . 1 . . . . 5 ILE QD1 . 11077 1 39 . 1 1 5 5 ILE HD12 H 1 0.726 0.03 . 1 . . . . 5 ILE QD1 . 11077 1 40 . 1 1 5 5 ILE HD13 H 1 0.726 0.03 . 1 . . . . 5 ILE QD1 . 11077 1 41 . 1 1 5 5 ILE HG12 H 1 0.51 0.03 . 2 . . . . 5 ILE HG12 . 11077 1 42 . 1 1 5 5 ILE HG13 H 1 1.403 0.03 . 2 . . . . 5 ILE HG13 . 11077 1 43 . 1 1 5 5 ILE HG21 H 1 0.689 0.03 . 1 . . . . 5 ILE QG2 . 11077 1 44 . 1 1 5 5 ILE HG22 H 1 0.689 0.03 . 1 . . . . 5 ILE QG2 . 11077 1 45 . 1 1 5 5 ILE HG23 H 1 0.689 0.03 . 1 . . . . 5 ILE QG2 . 11077 1 46 . 1 1 5 5 ILE CA C 13 60.288 0.3 . 1 . . . . 5 ILE CA . 11077 1 47 . 1 1 5 5 ILE CB C 13 40.902 0.3 . 1 . . . . 5 ILE CB . 11077 1 48 . 1 1 5 5 ILE CD1 C 13 14.71 0.3 . 1 . . . . 5 ILE CD1 . 11077 1 49 . 1 1 5 5 ILE CG1 C 13 27.461 0.3 . 1 . . . . 5 ILE CG1 . 11077 1 50 . 1 1 5 5 ILE CG2 C 13 17.642 0.3 . 1 . . . . 5 ILE CG2 . 11077 1 51 . 1 1 5 5 ILE N N 15 126.355 0.3 . 1 . . . . 5 ILE N . 11077 1 52 . 1 1 6 6 THR H H 1 8.796 0.03 . 1 . . . . 6 THR H . 11077 1 53 . 1 1 6 6 THR HA H 1 4.654 0.03 . 1 . . . . 6 THR HA . 11077 1 54 . 1 1 6 6 THR HB H 1 4.074 0.03 . 1 . . . . 6 THR HB . 11077 1 55 . 1 1 6 6 THR HG21 H 1 1.212 0.03 . 1 . . . . 6 THR QG2 . 11077 1 56 . 1 1 6 6 THR HG22 H 1 1.212 0.03 . 1 . . . . 6 THR QG2 . 11077 1 57 . 1 1 6 6 THR HG23 H 1 1.212 0.03 . 1 . . . . 6 THR QG2 . 11077 1 58 . 1 1 6 6 THR CA C 13 60.751 0.3 . 1 . . . . 6 THR CA . 11077 1 59 . 1 1 6 6 THR CB C 13 71.993 0.3 . 1 . . . . 6 THR CB . 11077 1 60 . 1 1 6 6 THR CG2 C 13 21.717 0.3 . 1 . . . . 6 THR CG2 . 11077 1 61 . 1 1 6 6 THR N N 15 123.546 0.3 . 1 . . . . 6 THR N . 11077 1 62 . 1 1 7 7 GLY H H 1 8.833 0.03 . 1 . . . . 7 GLY H . 11077 1 63 . 1 1 7 7 GLY HA2 H 1 3.764 0.03 . 2 . . . . 7 GLY HA2 . 11077 1 64 . 1 1 7 7 GLY HA3 H 1 5.071 0.03 . 2 . . . . 7 GLY HA3 . 11077 1 65 . 1 1 7 7 GLY CA C 13 44.318 0.3 . 1 . . . . 7 GLY CA . 11077 1 66 . 1 1 7 7 GLY N N 15 112.24 0.3 . 1 . . . . 7 GLY N . 11077 1 67 . 1 1 8 8 ASN H H 1 8.962 0.03 . 1 . . . . 8 ASN H . 11077 1 68 . 1 1 8 8 ASN HA H 1 4.828 0.03 . 1 . . . . 8 ASN HA . 11077 1 69 . 1 1 8 8 ASN HB2 H 1 2.713 0.03 . 2 . . . . 8 ASN HB2 . 11077 1 70 . 1 1 8 8 ASN HB3 H 1 2.503 0.03 . 2 . . . . 8 ASN HB3 . 11077 1 71 . 1 1 8 8 ASN CA C 13 52.799 0.3 . 1 . . . . 8 ASN CA . 11077 1 72 . 1 1 8 8 ASN CB C 13 39.244 0.3 . 1 . . . . 8 ASN CB . 11077 1 73 . 1 1 8 8 ASN N N 15 124.384 0.3 . 1 . . . . 8 ASN N . 11077 1 74 . 1 1 9 9 ASN H H 1 8.756 0.03 . 1 . . . . 9 ASN H . 11077 1 75 . 1 1 9 9 ASN HA H 1 4.248 0.03 . 1 . . . . 9 ASN HA . 11077 1 76 . 1 1 9 9 ASN HB2 H 1 2.893 0.03 . 2 . . . . 9 ASN HB2 . 11077 1 77 . 1 1 9 9 ASN HB3 H 1 3.261 0.03 . 2 . . . . 9 ASN HB3 . 11077 1 78 . 1 1 9 9 ASN CA C 13 53.998 0.3 . 1 . . . . 9 ASN CA . 11077 1 79 . 1 1 9 9 ASN CB C 13 37.231 0.3 . 1 . . . . 9 ASN CB . 11077 1 80 . 1 1 9 9 ASN N N 15 120.082 0.3 . 1 . . . . 9 ASN N . 11077 1 81 . 1 1 10 10 VAL H H 1 6.825 0.03 . 1 . . . . 10 VAL H . 11077 1 82 . 1 1 10 10 VAL HA H 1 4.097 0.03 . 1 . . . . 10 VAL HA . 11077 1 83 . 1 1 10 10 VAL HB H 1 1.772 0.03 . 1 . . . . 10 VAL HB . 11077 1 84 . 1 1 10 10 VAL HG11 H 1 0.619 0.03 . 2 . . . . 10 VAL QG1 . 11077 1 85 . 1 1 10 10 VAL HG12 H 1 0.619 0.03 . 2 . . . . 10 VAL QG1 . 11077 1 86 . 1 1 10 10 VAL HG13 H 1 0.619 0.03 . 2 . . . . 10 VAL QG1 . 11077 1 87 . 1 1 10 10 VAL HG21 H 1 0.757 0.03 . 2 . . . . 10 VAL QG2 . 11077 1 88 . 1 1 10 10 VAL HG22 H 1 0.757 0.03 . 2 . . . . 10 VAL QG2 . 11077 1 89 . 1 1 10 10 VAL HG23 H 1 0.757 0.03 . 2 . . . . 10 VAL QG2 . 11077 1 90 . 1 1 10 10 VAL CA C 13 60.425 0.3 . 1 . . . . 10 VAL CA . 11077 1 91 . 1 1 10 10 VAL CB C 13 34.765 0.3 . 1 . . . . 10 VAL CB . 11077 1 92 . 1 1 10 10 VAL CG1 C 13 19.907 0.3 . 2 . . . . 10 VAL CG1 . 11077 1 93 . 1 1 10 10 VAL CG2 C 13 21.463 0.3 . 2 . . . . 10 VAL CG2 . 11077 1 94 . 1 1 10 10 VAL N N 15 115.342 0.3 . 1 . . . . 10 VAL N . 11077 1 95 . 1 1 11 11 GLU H H 1 8.347 0.03 . 1 . . . . 11 GLU H . 11077 1 96 . 1 1 11 11 GLU HA H 1 4.174 0.03 . 1 . . . . 11 GLU HA . 11077 1 97 . 1 1 11 11 GLU HB2 H 1 1.812 0.03 . 2 . . . . 11 GLU HB2 . 11077 1 98 . 1 1 11 11 GLU HB3 H 1 1.851 0.03 . 2 . . . . 11 GLU HB3 . 11077 1 99 . 1 1 11 11 GLU HG2 H 1 1.962 0.03 . 2 . . . . 11 GLU HG2 . 11077 1 100 . 1 1 11 11 GLU HG3 H 1 2.15 0.03 . 2 . . . . 11 GLU HG3 . 11077 1 101 . 1 1 11 11 GLU CA C 13 55.442 0.3 . 1 . . . . 11 GLU CA . 11077 1 102 . 1 1 11 11 GLU CB C 13 30.114 0.3 . 1 . . . . 11 GLU CB . 11077 1 103 . 1 1 11 11 GLU CG C 13 35.762 0.3 . 1 . . . . 11 GLU CG . 11077 1 104 . 1 1 11 11 GLU N N 15 129.115 0.3 . 1 . . . . 11 GLU N . 11077 1 105 . 1 1 12 12 ILE H H 1 8.942 0.03 . 1 . . . . 12 ILE H . 11077 1 106 . 1 1 12 12 ILE HA H 1 4.034 0.03 . 1 . . . . 12 ILE HA . 11077 1 107 . 1 1 12 12 ILE HB H 1 2.212 0.03 . 1 . . . . 12 ILE HB . 11077 1 108 . 1 1 12 12 ILE HD11 H 1 0.466 0.03 . 1 . . . . 12 ILE QD1 . 11077 1 109 . 1 1 12 12 ILE HD12 H 1 0.466 0.03 . 1 . . . . 12 ILE QD1 . 11077 1 110 . 1 1 12 12 ILE HD13 H 1 0.466 0.03 . 1 . . . . 12 ILE QD1 . 11077 1 111 . 1 1 12 12 ILE HG12 H 1 1.181 0.03 . 2 . . . . 12 ILE HG12 . 11077 1 112 . 1 1 12 12 ILE HG13 H 1 1.528 0.03 . 2 . . . . 12 ILE HG13 . 11077 1 113 . 1 1 12 12 ILE HG21 H 1 0.714 0.03 . 1 . . . . 12 ILE QG2 . 11077 1 114 . 1 1 12 12 ILE HG22 H 1 0.714 0.03 . 1 . . . . 12 ILE QG2 . 11077 1 115 . 1 1 12 12 ILE HG23 H 1 0.714 0.03 . 1 . . . . 12 ILE QG2 . 11077 1 116 . 1 1 12 12 ILE CA C 13 58.894 0.3 . 1 . . . . 12 ILE CA . 11077 1 117 . 1 1 12 12 ILE CB C 13 33.24 0.3 . 1 . . . . 12 ILE CB . 11077 1 118 . 1 1 12 12 ILE CD1 C 13 10.02 0.3 . 1 . . . . 12 ILE CD1 . 11077 1 119 . 1 1 12 12 ILE CG1 C 13 25.879 0.3 . 1 . . . . 12 ILE CG1 . 11077 1 120 . 1 1 12 12 ILE CG2 C 13 17.349 0.3 . 1 . . . . 12 ILE CG2 . 11077 1 121 . 1 1 12 12 ILE N N 15 128.622 0.3 . 1 . . . . 12 ILE N . 11077 1 122 . 1 1 13 13 THR H H 1 6.818 0.03 . 1 . . . . 13 THR H . 11077 1 123 . 1 1 13 13 THR HA H 1 4.429 0.03 . 1 . . . . 13 THR HA . 11077 1 124 . 1 1 13 13 THR HB H 1 4.678 0.03 . 1 . . . . 13 THR HB . 11077 1 125 . 1 1 13 13 THR HG21 H 1 1.211 0.03 . 1 . . . . 13 THR QG2 . 11077 1 126 . 1 1 13 13 THR HG22 H 1 1.211 0.03 . 1 . . . . 13 THR QG2 . 11077 1 127 . 1 1 13 13 THR HG23 H 1 1.211 0.03 . 1 . . . . 13 THR QG2 . 11077 1 128 . 1 1 13 13 THR CA C 13 60.052 0.3 . 1 . . . . 13 THR CA . 11077 1 129 . 1 1 13 13 THR CB C 13 70.842 0.3 . 1 . . . . 13 THR CB . 11077 1 130 . 1 1 13 13 THR CG2 C 13 21.865 0.3 . 1 . . . . 13 THR CG2 . 11077 1 131 . 1 1 13 13 THR N N 15 119.687 0.3 . 1 . . . . 13 THR N . 11077 1 132 . 1 1 14 14 GLU H H 1 8.969 0.03 . 1 . . . . 14 GLU H . 11077 1 133 . 1 1 14 14 GLU HA H 1 4.024 0.03 . 1 . . . . 14 GLU HA . 11077 1 134 . 1 1 14 14 GLU HB2 H 1 2.012 0.03 . 2 . . . . 14 GLU HB2 . 11077 1 135 . 1 1 14 14 GLU HB3 H 1 2.042 0.03 . 2 . . . . 14 GLU HB3 . 11077 1 136 . 1 1 14 14 GLU HG2 H 1 2.315 0.03 . 2 . . . . 14 GLU HG2 . 11077 1 137 . 1 1 14 14 GLU HG3 H 1 2.329 0.03 . 2 . . . . 14 GLU HG3 . 11077 1 138 . 1 1 14 14 GLU CA C 13 59.794 0.3 . 1 . . . . 14 GLU CA . 11077 1 139 . 1 1 14 14 GLU CB C 13 28.845 0.3 . 1 . . . . 14 GLU CB . 11077 1 140 . 1 1 14 14 GLU CG C 13 36.177 0.3 . 1 . . . . 14 GLU CG . 11077 1 141 . 1 1 14 14 GLU N N 15 123.29 0.3 . 1 . . . . 14 GLU N . 11077 1 142 . 1 1 15 15 ALA H H 1 8.334 0.03 . 1 . . . . 15 ALA H . 11077 1 143 . 1 1 15 15 ALA HA H 1 4.151 0.03 . 1 . . . . 15 ALA HA . 11077 1 144 . 1 1 15 15 ALA HB1 H 1 1.376 0.03 . 1 . . . . 15 ALA QB . 11077 1 145 . 1 1 15 15 ALA HB2 H 1 1.376 0.03 . 1 . . . . 15 ALA QB . 11077 1 146 . 1 1 15 15 ALA HB3 H 1 1.376 0.03 . 1 . . . . 15 ALA QB . 11077 1 147 . 1 1 15 15 ALA CA C 13 55.076 0.3 . 1 . . . . 15 ALA CA . 11077 1 148 . 1 1 15 15 ALA CB C 13 18.008 0.3 . 1 . . . . 15 ALA CB . 11077 1 149 . 1 1 15 15 ALA N N 15 121.958 0.3 . 1 . . . . 15 ALA N . 11077 1 150 . 1 1 16 16 LEU H H 1 7.765 0.03 . 1 . . . . 16 LEU H . 11077 1 151 . 1 1 16 16 LEU HA H 1 4.24 0.03 . 1 . . . . 16 LEU HA . 11077 1 152 . 1 1 16 16 LEU HB2 H 1 1.643 0.03 . 2 . . . . 16 LEU HB2 . 11077 1 153 . 1 1 16 16 LEU HB3 H 1 1.646 0.03 . 2 . . . . 16 LEU HB3 . 11077 1 154 . 1 1 16 16 LEU HD11 H 1 0.777 0.03 . 2 . . . . 16 LEU QD1 . 11077 1 155 . 1 1 16 16 LEU HD12 H 1 0.777 0.03 . 2 . . . . 16 LEU QD1 . 11077 1 156 . 1 1 16 16 LEU HD13 H 1 0.777 0.03 . 2 . . . . 16 LEU QD1 . 11077 1 157 . 1 1 16 16 LEU HD21 H 1 0.763 0.03 . 2 . . . . 16 LEU QD2 . 11077 1 158 . 1 1 16 16 LEU HD22 H 1 0.763 0.03 . 2 . . . . 16 LEU QD2 . 11077 1 159 . 1 1 16 16 LEU HD23 H 1 0.763 0.03 . 2 . . . . 16 LEU QD2 . 11077 1 160 . 1 1 16 16 LEU HG H 1 1.481 0.03 . 1 . . . . 16 LEU HG . 11077 1 161 . 1 1 16 16 LEU CA C 13 57.674 0.3 . 1 . . . . 16 LEU CA . 11077 1 162 . 1 1 16 16 LEU CB C 13 42.122 0.3 . 1 . . . . 16 LEU CB . 11077 1 163 . 1 1 16 16 LEU CD1 C 13 23.446 0.3 . 2 . . . . 16 LEU CD1 . 11077 1 164 . 1 1 16 16 LEU CD2 C 13 25.523 0.3 . 2 . . . . 16 LEU CD2 . 11077 1 165 . 1 1 16 16 LEU CG C 13 27.233 0.3 . 1 . . . . 16 LEU CG . 11077 1 166 . 1 1 16 16 LEU N N 15 123.064 0.3 . 1 . . . . 16 LEU N . 11077 1 167 . 1 1 17 17 ARG H H 1 8.627 0.03 . 1 . . . . 17 ARG H . 11077 1 168 . 1 1 17 17 ARG HA H 1 3.595 0.03 . 1 . . . . 17 ARG HA . 11077 1 169 . 1 1 17 17 ARG HB2 H 1 1.77 0.03 . 2 . . . . 17 ARG HB2 . 11077 1 170 . 1 1 17 17 ARG HB3 H 1 1.899 0.03 . 2 . . . . 17 ARG HB3 . 11077 1 171 . 1 1 17 17 ARG HD2 H 1 3.207 0.03 . 2 . . . . 17 ARG HD2 . 11077 1 172 . 1 1 17 17 ARG HD3 H 1 3.177 0.03 . 2 . . . . 17 ARG HD3 . 11077 1 173 . 1 1 17 17 ARG HG2 H 1 1.358 0.03 . 2 . . . . 17 ARG HG2 . 11077 1 174 . 1 1 17 17 ARG HG3 H 1 1.49 0.03 . 2 . . . . 17 ARG HG3 . 11077 1 175 . 1 1 17 17 ARG CA C 13 60.573 0.3 . 1 . . . . 17 ARG CA . 11077 1 176 . 1 1 17 17 ARG CB C 13 29.679 0.3 . 1 . . . . 17 ARG CB . 11077 1 177 . 1 1 17 17 ARG CD C 13 42.78 0.3 . 1 . . . . 17 ARG CD . 11077 1 178 . 1 1 17 17 ARG CG C 13 27.679 0.3 . 1 . . . . 17 ARG CG . 11077 1 179 . 1 1 17 17 ARG N N 15 121.878 0.3 . 1 . . . . 17 ARG N . 11077 1 180 . 1 1 18 18 GLU H H 1 8.665 0.03 . 1 . . . . 18 GLU H . 11077 1 181 . 1 1 18 18 GLU HA H 1 3.952 0.03 . 1 . . . . 18 GLU HA . 11077 1 182 . 1 1 18 18 GLU HB2 H 1 2.092 0.03 . 2 . . . . 18 GLU HB2 . 11077 1 183 . 1 1 18 18 GLU HB3 H 1 2.119 0.03 . 2 . . . . 18 GLU HB3 . 11077 1 184 . 1 1 18 18 GLU HG2 H 1 2.24 0.03 . 2 . . . . 18 GLU HG2 . 11077 1 185 . 1 1 18 18 GLU HG3 H 1 2.399 0.03 . 2 . . . . 18 GLU HG3 . 11077 1 186 . 1 1 18 18 GLU CA C 13 59.654 0.3 . 1 . . . . 18 GLU CA . 11077 1 187 . 1 1 18 18 GLU CB C 13 29.301 0.3 . 1 . . . . 18 GLU CB . 11077 1 188 . 1 1 18 18 GLU CG C 13 36.21 0.3 . 1 . . . . 18 GLU CG . 11077 1 189 . 1 1 18 18 GLU N N 15 123.257 0.3 . 1 . . . . 18 GLU N . 11077 1 190 . 1 1 19 19 PHE H H 1 8.026 0.03 . 1 . . . . 19 PHE H . 11077 1 191 . 1 1 19 19 PHE HA H 1 4.258 0.03 . 1 . . . . 19 PHE HA . 11077 1 192 . 1 1 19 19 PHE HB2 H 1 3.37 0.03 . 2 . . . . 19 PHE HB2 . 11077 1 193 . 1 1 19 19 PHE HB3 H 1 3.338 0.03 . 2 . . . . 19 PHE HB3 . 11077 1 194 . 1 1 19 19 PHE HD1 H 1 7.067 0.03 . 3 . . . . 19 PHE HD1 . 11077 1 195 . 1 1 19 19 PHE CA C 13 61.64 0.3 . 1 . . . . 19 PHE CA . 11077 1 196 . 1 1 19 19 PHE CB C 13 39.547 0.3 . 1 . . . . 19 PHE CB . 11077 1 197 . 1 1 19 19 PHE CD1 C 13 131.589 0.3 . 3 . . . . 19 PHE CD1 . 11077 1 198 . 1 1 19 19 PHE N N 15 123.888 0.3 . 1 . . . . 19 PHE N . 11077 1 199 . 1 1 20 20 VAL H H 1 8.734 0.03 . 1 . . . . 20 VAL H . 11077 1 200 . 1 1 20 20 VAL HA H 1 3.336 0.03 . 1 . . . . 20 VAL HA . 11077 1 201 . 1 1 20 20 VAL HB H 1 2.151 0.03 . 1 . . . . 20 VAL HB . 11077 1 202 . 1 1 20 20 VAL HG11 H 1 0.882 0.03 . 2 . . . . 20 VAL QG1 . 11077 1 203 . 1 1 20 20 VAL HG12 H 1 0.882 0.03 . 2 . . . . 20 VAL QG1 . 11077 1 204 . 1 1 20 20 VAL HG13 H 1 0.882 0.03 . 2 . . . . 20 VAL QG1 . 11077 1 205 . 1 1 20 20 VAL HG21 H 1 1.169 0.03 . 2 . . . . 20 VAL QG2 . 11077 1 206 . 1 1 20 20 VAL HG22 H 1 1.169 0.03 . 2 . . . . 20 VAL QG2 . 11077 1 207 . 1 1 20 20 VAL HG23 H 1 1.169 0.03 . 2 . . . . 20 VAL QG2 . 11077 1 208 . 1 1 20 20 VAL CA C 13 67.245 0.3 . 1 . . . . 20 VAL CA . 11077 1 209 . 1 1 20 20 VAL CB C 13 31.965 0.3 . 1 . . . . 20 VAL CB . 11077 1 210 . 1 1 20 20 VAL CG1 C 13 22.745 0.3 . 2 . . . . 20 VAL CG1 . 11077 1 211 . 1 1 20 20 VAL CG2 C 13 23.945 0.3 . 2 . . . . 20 VAL CG2 . 11077 1 212 . 1 1 20 20 VAL N N 15 119.762 0.3 . 1 . . . . 20 VAL N . 11077 1 213 . 1 1 21 21 THR H H 1 8.213 0.03 . 1 . . . . 21 THR H . 11077 1 214 . 1 1 21 21 THR HA H 1 3.615 0.03 . 1 . . . . 21 THR HA . 11077 1 215 . 1 1 21 21 THR HG21 H 1 1.149 0.03 . 1 . . . . 21 THR QG2 . 11077 1 216 . 1 1 21 21 THR HG22 H 1 1.149 0.03 . 1 . . . . 21 THR QG2 . 11077 1 217 . 1 1 21 21 THR HG23 H 1 1.149 0.03 . 1 . . . . 21 THR QG2 . 11077 1 218 . 1 1 21 21 THR CA C 13 67.657 0.3 . 1 . . . . 21 THR CA . 11077 1 219 . 1 1 21 21 THR CB C 13 68.697 0.3 . 1 . . . . 21 THR CB . 11077 1 220 . 1 1 21 21 THR CG2 C 13 20.685 0.3 . 1 . . . . 21 THR CG2 . 11077 1 221 . 1 1 21 21 THR N N 15 117.446 0.3 . 1 . . . . 21 THR N . 11077 1 222 . 1 1 22 22 ALA H H 1 8.05 0.03 . 1 . . . . 22 ALA H . 11077 1 223 . 1 1 22 22 ALA HA H 1 4.084 0.03 . 1 . . . . 22 ALA HA . 11077 1 224 . 1 1 22 22 ALA HB1 H 1 1.375 0.03 . 1 . . . . 22 ALA QB . 11077 1 225 . 1 1 22 22 ALA HB2 H 1 1.375 0.03 . 1 . . . . 22 ALA QB . 11077 1 226 . 1 1 22 22 ALA HB3 H 1 1.375 0.03 . 1 . . . . 22 ALA QB . 11077 1 227 . 1 1 22 22 ALA CA C 13 54.998 0.3 . 1 . . . . 22 ALA CA . 11077 1 228 . 1 1 22 22 ALA CB C 13 17.88 0.3 . 1 . . . . 22 ALA CB . 11077 1 229 . 1 1 22 22 ALA N N 15 125.291 0.3 . 1 . . . . 22 ALA N . 11077 1 230 . 1 1 23 23 LYS H H 1 7.868 0.03 . 1 . . . . 23 LYS H . 11077 1 231 . 1 1 23 23 LYS HA H 1 3.886 0.03 . 1 . . . . 23 LYS HA . 11077 1 232 . 1 1 23 23 LYS HB2 H 1 1.728 0.03 . 2 . . . . 23 LYS HB2 . 11077 1 233 . 1 1 23 23 LYS HB3 H 1 1.357 0.03 . 2 . . . . 23 LYS HB3 . 11077 1 234 . 1 1 23 23 LYS HD2 H 1 1.295 0.03 . 2 . . . . 23 LYS HD2 . 11077 1 235 . 1 1 23 23 LYS HD3 H 1 1.295 0.03 . 2 . . . . 23 LYS HD3 . 11077 1 236 . 1 1 23 23 LYS HE2 H 1 2.526 0.03 . 2 . . . . 23 LYS HE2 . 11077 1 237 . 1 1 23 23 LYS HE3 H 1 2.526 0.03 . 2 . . . . 23 LYS HE3 . 11077 1 238 . 1 1 23 23 LYS HG2 H 1 0.763 0.03 . 2 . . . . 23 LYS HG2 . 11077 1 239 . 1 1 23 23 LYS HG3 H 1 0.846 0.03 . 2 . . . . 23 LYS HG3 . 11077 1 240 . 1 1 23 23 LYS CA C 13 57.286 0.3 . 1 . . . . 23 LYS CA . 11077 1 241 . 1 1 23 23 LYS CB C 13 30.651 0.3 . 1 . . . . 23 LYS CB . 11077 1 242 . 1 1 23 23 LYS CD C 13 27.45 0.3 . 1 . . . . 23 LYS CD . 11077 1 243 . 1 1 23 23 LYS CE C 13 42.081 0.3 . 1 . . . . 23 LYS CE . 11077 1 244 . 1 1 23 23 LYS CG C 13 23.927 0.3 . 1 . . . . 23 LYS CG . 11077 1 245 . 1 1 23 23 LYS N N 15 119.332 0.3 . 1 . . . . 23 LYS N . 11077 1 246 . 1 1 24 24 PHE H H 1 8.369 0.03 . 1 . . . . 24 PHE H . 11077 1 247 . 1 1 24 24 PHE HA H 1 3.805 0.03 . 1 . . . . 24 PHE HA . 11077 1 248 . 1 1 24 24 PHE HB2 H 1 3.097 0.03 . 2 . . . . 24 PHE HB2 . 11077 1 249 . 1 1 24 24 PHE HB3 H 1 2.921 0.03 . 2 . . . . 24 PHE HB3 . 11077 1 250 . 1 1 24 24 PHE HD1 H 1 7.264 0.03 . 3 . . . . 24 PHE HD1 . 11077 1 251 . 1 1 24 24 PHE HE1 H 1 6.794 0.03 . 3 . . . . 24 PHE HE1 . 11077 1 252 . 1 1 24 24 PHE CA C 13 62.055 0.3 . 1 . . . . 24 PHE CA . 11077 1 253 . 1 1 24 24 PHE CB C 13 38.744 0.3 . 1 . . . . 24 PHE CB . 11077 1 254 . 1 1 24 24 PHE CD1 C 13 131.398 0.3 . 3 . . . . 24 PHE CD1 . 11077 1 255 . 1 1 24 24 PHE CE1 C 13 130.134 0.3 . 3 . . . . 24 PHE CE1 . 11077 1 256 . 1 1 24 24 PHE N N 15 119.142 0.3 . 1 . . . . 24 PHE N . 11077 1 257 . 1 1 25 25 ALA H H 1 7.879 0.03 . 1 . . . . 25 ALA H . 11077 1 258 . 1 1 25 25 ALA HA H 1 4.14 0.03 . 1 . . . . 25 ALA HA . 11077 1 259 . 1 1 25 25 ALA HB1 H 1 1.482 0.03 . 1 . . . . 25 ALA QB . 11077 1 260 . 1 1 25 25 ALA HB2 H 1 1.482 0.03 . 1 . . . . 25 ALA QB . 11077 1 261 . 1 1 25 25 ALA HB3 H 1 1.482 0.03 . 1 . . . . 25 ALA QB . 11077 1 262 . 1 1 25 25 ALA CA C 13 55.014 0.3 . 1 . . . . 25 ALA CA . 11077 1 263 . 1 1 25 25 ALA CB C 13 17.773 0.3 . 1 . . . . 25 ALA CB . 11077 1 264 . 1 1 25 25 ALA N N 15 123.5 0.3 . 1 . . . . 25 ALA N . 11077 1 265 . 1 1 26 26 LYS H H 1 7.217 0.03 . 1 . . . . 26 LYS H . 11077 1 266 . 1 1 26 26 LYS HA H 1 4.024 0.03 . 1 . . . . 26 LYS HA . 11077 1 267 . 1 1 26 26 LYS HB2 H 1 1.846 0.03 . 2 . . . . 26 LYS HB2 . 11077 1 268 . 1 1 26 26 LYS HB3 H 1 1.766 0.03 . 2 . . . . 26 LYS HB3 . 11077 1 269 . 1 1 26 26 LYS HD2 H 1 1.596 0.03 . 2 . . . . 26 LYS HD2 . 11077 1 270 . 1 1 26 26 LYS HD3 H 1 1.596 0.03 . 2 . . . . 26 LYS HD3 . 11077 1 271 . 1 1 26 26 LYS HE2 H 1 2.877 0.03 . 2 . . . . 26 LYS HE2 . 11077 1 272 . 1 1 26 26 LYS HE3 H 1 2.877 0.03 . 2 . . . . 26 LYS HE3 . 11077 1 273 . 1 1 26 26 LYS HG2 H 1 1.422 0.03 . 2 . . . . 26 LYS HG2 . 11077 1 274 . 1 1 26 26 LYS HG3 H 1 1.508 0.03 . 2 . . . . 26 LYS HG3 . 11077 1 275 . 1 1 26 26 LYS CA C 13 58.189 0.3 . 1 . . . . 26 LYS CA . 11077 1 276 . 1 1 26 26 LYS CB C 13 32.033 0.3 . 1 . . . . 26 LYS CB . 11077 1 277 . 1 1 26 26 LYS CD C 13 28.778 0.3 . 1 . . . . 26 LYS CD . 11077 1 278 . 1 1 26 26 LYS CE C 13 41.863 0.3 . 1 . . . . 26 LYS CE . 11077 1 279 . 1 1 26 26 LYS CG C 13 24.976 0.3 . 1 . . . . 26 LYS CG . 11077 1 280 . 1 1 26 26 LYS N N 15 118.541 0.3 . 1 . . . . 26 LYS N . 11077 1 281 . 1 1 27 27 LEU H H 1 7.773 0.03 . 1 . . . . 27 LEU H . 11077 1 282 . 1 1 27 27 LEU HA H 1 4.257 0.03 . 1 . . . . 27 LEU HA . 11077 1 283 . 1 1 27 27 LEU HB2 H 1 1.558 0.03 . 2 . . . . 27 LEU HB2 . 11077 1 284 . 1 1 27 27 LEU HB3 H 1 1.887 0.03 . 2 . . . . 27 LEU HB3 . 11077 1 285 . 1 1 27 27 LEU HD11 H 1 0.709 0.03 . 2 . . . . 27 LEU QD1 . 11077 1 286 . 1 1 27 27 LEU HD12 H 1 0.709 0.03 . 2 . . . . 27 LEU QD1 . 11077 1 287 . 1 1 27 27 LEU HD13 H 1 0.709 0.03 . 2 . . . . 27 LEU QD1 . 11077 1 288 . 1 1 27 27 LEU HD21 H 1 0.666 0.03 . 2 . . . . 27 LEU QD2 . 11077 1 289 . 1 1 27 27 LEU HD22 H 1 0.666 0.03 . 2 . . . . 27 LEU QD2 . 11077 1 290 . 1 1 27 27 LEU HD23 H 1 0.666 0.03 . 2 . . . . 27 LEU QD2 . 11077 1 291 . 1 1 27 27 LEU HG H 1 1.562 0.03 . 1 . . . . 27 LEU HG . 11077 1 292 . 1 1 27 27 LEU CA C 13 55.889 0.3 . 1 . . . . 27 LEU CA . 11077 1 293 . 1 1 27 27 LEU CB C 13 41.083 0.3 . 1 . . . . 27 LEU CB . 11077 1 294 . 1 1 27 27 LEU CD1 C 13 22.529 0.3 . 2 . . . . 27 LEU CD1 . 11077 1 295 . 1 1 27 27 LEU CD2 C 13 26.462 0.3 . 2 . . . . 27 LEU CD2 . 11077 1 296 . 1 1 27 27 LEU CG C 13 26.452 0.3 . 1 . . . . 27 LEU CG . 11077 1 297 . 1 1 27 27 LEU N N 15 118.34 0.3 . 1 . . . . 27 LEU N . 11077 1 298 . 1 1 28 28 GLU H H 1 7.296 0.03 . 1 . . . . 28 GLU H . 11077 1 299 . 1 1 28 28 GLU HA H 1 3.489 0.03 . 1 . . . . 28 GLU HA . 11077 1 300 . 1 1 28 28 GLU HB2 H 1 1.921 0.03 . 2 . . . . 28 GLU HB2 . 11077 1 301 . 1 1 28 28 GLU HB3 H 1 1.943 0.03 . 2 . . . . 28 GLU HB3 . 11077 1 302 . 1 1 28 28 GLU HG2 H 1 2.166 0.03 . 2 . . . . 28 GLU HG2 . 11077 1 303 . 1 1 28 28 GLU HG3 H 1 2.201 0.03 . 2 . . . . 28 GLU HG3 . 11077 1 304 . 1 1 28 28 GLU CA C 13 58.336 0.3 . 1 . . . . 28 GLU CA . 11077 1 305 . 1 1 28 28 GLU CB C 13 29.265 0.3 . 1 . . . . 28 GLU CB . 11077 1 306 . 1 1 28 28 GLU CG C 13 36.763 0.3 . 1 . . . . 28 GLU CG . 11077 1 307 . 1 1 28 28 GLU N N 15 119.557 0.3 . 1 . . . . 28 GLU N . 11077 1 308 . 1 1 29 29 GLN H H 1 7.783 0.03 . 1 . . . . 29 GLN H . 11077 1 309 . 1 1 29 29 GLN HA H 1 3.923 0.03 . 1 . . . . 29 GLN HA . 11077 1 310 . 1 1 29 29 GLN HB2 H 1 1.696 0.03 . 2 . . . . 29 GLN HB2 . 11077 1 311 . 1 1 29 29 GLN HB3 H 1 1.696 0.03 . 2 . . . . 29 GLN HB3 . 11077 1 312 . 1 1 29 29 GLN HG2 H 1 1.696 0.03 . 2 . . . . 29 GLN HG2 . 11077 1 313 . 1 1 29 29 GLN HG3 H 1 1.915 0.03 . 2 . . . . 29 GLN HG3 . 11077 1 314 . 1 1 29 29 GLN CA C 13 57.387 0.3 . 1 . . . . 29 GLN CA . 11077 1 315 . 1 1 29 29 GLN CB C 13 28.082 0.3 . 1 . . . . 29 GLN CB . 11077 1 316 . 1 1 29 29 GLN CG C 13 33.266 0.3 . 1 . . . . 29 GLN CG . 11077 1 317 . 1 1 29 29 GLN N N 15 117.927 0.3 . 1 . . . . 29 GLN N . 11077 1 318 . 1 1 30 30 TYR H H 1 7.731 0.03 . 1 . . . . 30 TYR H . 11077 1 319 . 1 1 30 30 TYR HA H 1 4.433 0.03 . 1 . . . . 30 TYR HA . 11077 1 320 . 1 1 30 30 TYR HB2 H 1 2.741 0.03 . 2 . . . . 30 TYR HB2 . 11077 1 321 . 1 1 30 30 TYR HB3 H 1 2.999 0.03 . 2 . . . . 30 TYR HB3 . 11077 1 322 . 1 1 30 30 TYR HD1 H 1 6.985 0.03 . 3 . . . . 30 TYR HD1 . 11077 1 323 . 1 1 30 30 TYR HE1 H 1 6.639 0.03 . 3 . . . . 30 TYR HE1 . 11077 1 324 . 1 1 30 30 TYR CA C 13 58.371 0.3 . 1 . . . . 30 TYR CA . 11077 1 325 . 1 1 30 30 TYR CB C 13 39.297 0.3 . 1 . . . . 30 TYR CB . 11077 1 326 . 1 1 30 30 TYR CD1 C 13 132.754 0.3 . 3 . . . . 30 TYR CD1 . 11077 1 327 . 1 1 30 30 TYR CE1 C 13 117.911 0.3 . 3 . . . . 30 TYR CE1 . 11077 1 328 . 1 1 30 30 TYR N N 15 118.639 0.3 . 1 . . . . 30 TYR N . 11077 1 329 . 1 1 31 31 PHE H H 1 7.652 0.03 . 1 . . . . 31 PHE H . 11077 1 330 . 1 1 31 31 PHE HA H 1 4.605 0.03 . 1 . . . . 31 PHE HA . 11077 1 331 . 1 1 31 31 PHE HB2 H 1 3.154 0.03 . 2 . . . . 31 PHE HB2 . 11077 1 332 . 1 1 31 31 PHE HB3 H 1 3.008 0.03 . 2 . . . . 31 PHE HB3 . 11077 1 333 . 1 1 31 31 PHE HD1 H 1 7.2 0.03 . 3 . . . . 31 PHE HD1 . 11077 1 334 . 1 1 31 31 PHE CA C 13 58.507 0.3 . 1 . . . . 31 PHE CA . 11077 1 335 . 1 1 31 31 PHE CB C 13 40.438 0.3 . 1 . . . . 31 PHE CB . 11077 1 336 . 1 1 31 31 PHE CD1 C 13 131.012 0.3 . 3 . . . . 31 PHE CD1 . 11077 1 337 . 1 1 31 31 PHE N N 15 119.753 0.3 . 1 . . . . 31 PHE N . 11077 1 338 . 1 1 32 32 ASP H H 1 8.087 0.03 . 1 . . . . 32 ASP H . 11077 1 339 . 1 1 32 32 ASP HA H 1 4.465 0.03 . 1 . . . . 32 ASP HA . 11077 1 340 . 1 1 32 32 ASP HB2 H 1 2.625 0.03 . 2 . . . . 32 ASP HB2 . 11077 1 341 . 1 1 32 32 ASP HB3 H 1 2.669 0.03 . 2 . . . . 32 ASP HB3 . 11077 1 342 . 1 1 32 32 ASP CA C 13 55.094 0.3 . 1 . . . . 32 ASP CA . 11077 1 343 . 1 1 32 32 ASP CB C 13 40.511 0.3 . 1 . . . . 32 ASP CB . 11077 1 344 . 1 1 32 32 ASP N N 15 121.865 0.3 . 1 . . . . 32 ASP N . 11077 1 345 . 1 1 33 33 ARG H H 1 7.083 0.03 . 1 . . . . 33 ARG H . 11077 1 346 . 1 1 33 33 ARG HA H 1 4.412 0.03 . 1 . . . . 33 ARG HA . 11077 1 347 . 1 1 33 33 ARG HB2 H 1 1.884 0.03 . 2 . . . . 33 ARG HB2 . 11077 1 348 . 1 1 33 33 ARG HB3 H 1 1.884 0.03 . 2 . . . . 33 ARG HB3 . 11077 1 349 . 1 1 33 33 ARG HD2 H 1 3.073 0.03 . 2 . . . . 33 ARG HD2 . 11077 1 350 . 1 1 33 33 ARG HD3 H 1 3.121 0.03 . 2 . . . . 33 ARG HD3 . 11077 1 351 . 1 1 33 33 ARG HG2 H 1 1.502 0.03 . 2 . . . . 33 ARG HG2 . 11077 1 352 . 1 1 33 33 ARG HG3 H 1 1.605 0.03 . 2 . . . . 33 ARG HG3 . 11077 1 353 . 1 1 33 33 ARG CA C 13 55.082 0.3 . 1 . . . . 33 ARG CA . 11077 1 354 . 1 1 33 33 ARG CB C 13 30.409 0.3 . 1 . . . . 33 ARG CB . 11077 1 355 . 1 1 33 33 ARG CD C 13 43.346 0.3 . 1 . . . . 33 ARG CD . 11077 1 356 . 1 1 33 33 ARG CG C 13 26.706 0.3 . 1 . . . . 33 ARG CG . 11077 1 357 . 1 1 33 33 ARG N N 15 119.603 0.3 . 1 . . . . 33 ARG N . 11077 1 358 . 1 1 34 34 ILE H H 1 8.139 0.03 . 1 . . . . 34 ILE H . 11077 1 359 . 1 1 34 34 ILE HA H 1 4.051 0.03 . 1 . . . . 34 ILE HA . 11077 1 360 . 1 1 34 34 ILE HB H 1 1.724 0.03 . 1 . . . . 34 ILE HB . 11077 1 361 . 1 1 34 34 ILE HD11 H 1 0.831 0.03 . 1 . . . . 34 ILE QD1 . 11077 1 362 . 1 1 34 34 ILE HD12 H 1 0.831 0.03 . 1 . . . . 34 ILE QD1 . 11077 1 363 . 1 1 34 34 ILE HD13 H 1 0.831 0.03 . 1 . . . . 34 ILE QD1 . 11077 1 364 . 1 1 34 34 ILE HG12 H 1 1.835 0.03 . 2 . . . . 34 ILE HG12 . 11077 1 365 . 1 1 34 34 ILE HG13 H 1 0.678 0.03 . 2 . . . . 34 ILE HG13 . 11077 1 366 . 1 1 34 34 ILE HG21 H 1 0.704 0.03 . 1 . . . . 34 ILE QG2 . 11077 1 367 . 1 1 34 34 ILE HG22 H 1 0.704 0.03 . 1 . . . . 34 ILE QG2 . 11077 1 368 . 1 1 34 34 ILE HG23 H 1 0.704 0.03 . 1 . . . . 34 ILE QG2 . 11077 1 369 . 1 1 34 34 ILE CA C 13 61.543 0.3 . 1 . . . . 34 ILE CA . 11077 1 370 . 1 1 34 34 ILE CB C 13 39.51 0.3 . 1 . . . . 34 ILE CB . 11077 1 371 . 1 1 34 34 ILE CD1 C 13 14.259 0.3 . 1 . . . . 34 ILE CD1 . 11077 1 372 . 1 1 34 34 ILE CG1 C 13 27.302 0.3 . 1 . . . . 34 ILE CG1 . 11077 1 373 . 1 1 34 34 ILE CG2 C 13 18.925 0.3 . 1 . . . . 34 ILE CG2 . 11077 1 374 . 1 1 34 34 ILE N N 15 123.576 0.3 . 1 . . . . 34 ILE N . 11077 1 375 . 1 1 35 35 ASN H H 1 8.56 0.03 . 1 . . . . 35 ASN H . 11077 1 376 . 1 1 35 35 ASN HA H 1 4.87 0.03 . 1 . . . . 35 ASN HA . 11077 1 377 . 1 1 35 35 ASN HB2 H 1 2.822 0.03 . 2 . . . . 35 ASN HB2 . 11077 1 378 . 1 1 35 35 ASN HB3 H 1 2.69 0.03 . 2 . . . . 35 ASN HB3 . 11077 1 379 . 1 1 35 35 ASN CA C 13 53.877 0.3 . 1 . . . . 35 ASN CA . 11077 1 380 . 1 1 35 35 ASN CB C 13 38.806 0.3 . 1 . . . . 35 ASN CB . 11077 1 381 . 1 1 35 35 ASN N N 15 126.934 0.3 . 1 . . . . 35 ASN N . 11077 1 382 . 1 1 36 36 GLN H H 1 7.843 0.03 . 1 . . . . 36 GLN H . 11077 1 383 . 1 1 36 36 GLN HA H 1 4.519 0.03 . 1 . . . . 36 GLN HA . 11077 1 384 . 1 1 36 36 GLN HB2 H 1 1.79 0.03 . 2 . . . . 36 GLN HB2 . 11077 1 385 . 1 1 36 36 GLN HB3 H 1 1.62 0.03 . 2 . . . . 36 GLN HB3 . 11077 1 386 . 1 1 36 36 GLN HG2 H 1 2.026 0.03 . 2 . . . . 36 GLN HG2 . 11077 1 387 . 1 1 36 36 GLN HG3 H 1 2.194 0.03 . 2 . . . . 36 GLN HG3 . 11077 1 388 . 1 1 36 36 GLN CA C 13 56.345 0.3 . 1 . . . . 36 GLN CA . 11077 1 389 . 1 1 36 36 GLN CB C 13 31.24 0.3 . 1 . . . . 36 GLN CB . 11077 1 390 . 1 1 36 36 GLN CG C 13 33.501 0.3 . 1 . . . . 36 GLN CG . 11077 1 391 . 1 1 36 36 GLN N N 15 120.673 0.3 . 1 . . . . 36 GLN N . 11077 1 392 . 1 1 37 37 VAL H H 1 8.33 0.03 . 1 . . . . 37 VAL H . 11077 1 393 . 1 1 37 37 VAL HA H 1 4.693 0.03 . 1 . . . . 37 VAL HA . 11077 1 394 . 1 1 37 37 VAL HB H 1 1.646 0.03 . 1 . . . . 37 VAL HB . 11077 1 395 . 1 1 37 37 VAL HG11 H 1 0.429 0.03 . 2 . . . . 37 VAL QG1 . 11077 1 396 . 1 1 37 37 VAL HG12 H 1 0.429 0.03 . 2 . . . . 37 VAL QG1 . 11077 1 397 . 1 1 37 37 VAL HG13 H 1 0.429 0.03 . 2 . . . . 37 VAL QG1 . 11077 1 398 . 1 1 37 37 VAL HG21 H 1 0.734 0.03 . 2 . . . . 37 VAL QG2 . 11077 1 399 . 1 1 37 37 VAL HG22 H 1 0.734 0.03 . 2 . . . . 37 VAL QG2 . 11077 1 400 . 1 1 37 37 VAL HG23 H 1 0.734 0.03 . 2 . . . . 37 VAL QG2 . 11077 1 401 . 1 1 37 37 VAL CA C 13 60.789 0.3 . 1 . . . . 37 VAL CA . 11077 1 402 . 1 1 37 37 VAL CB C 13 34.74 0.3 . 1 . . . . 37 VAL CB . 11077 1 403 . 1 1 37 37 VAL CG1 C 13 21.601 0.3 . 2 . . . . 37 VAL CG1 . 11077 1 404 . 1 1 37 37 VAL CG2 C 13 22.381 0.3 . 2 . . . . 37 VAL CG2 . 11077 1 405 . 1 1 37 37 VAL N N 15 123.403 0.3 . 1 . . . . 37 VAL N . 11077 1 406 . 1 1 38 38 TYR H H 1 8.943 0.03 . 1 . . . . 38 TYR H . 11077 1 407 . 1 1 38 38 TYR HA H 1 5.039 0.03 . 1 . . . . 38 TYR HA . 11077 1 408 . 1 1 38 38 TYR HB2 H 1 2.972 0.03 . 2 . . . . 38 TYR HB2 . 11077 1 409 . 1 1 38 38 TYR HB3 H 1 2.8 0.03 . 2 . . . . 38 TYR HB3 . 11077 1 410 . 1 1 38 38 TYR HD1 H 1 6.984 0.03 . 3 . . . . 38 TYR HD1 . 11077 1 411 . 1 1 38 38 TYR HE1 H 1 6.468 0.03 . 3 . . . . 38 TYR HE1 . 11077 1 412 . 1 1 38 38 TYR CA C 13 57.028 0.3 . 1 . . . . 38 TYR CA . 11077 1 413 . 1 1 38 38 TYR CB C 13 39.705 0.3 . 1 . . . . 38 TYR CB . 11077 1 414 . 1 1 38 38 TYR CD1 C 13 132.763 0.3 . 3 . . . . 38 TYR CD1 . 11077 1 415 . 1 1 38 38 TYR CE1 C 13 117.769 0.3 . 3 . . . . 38 TYR CE1 . 11077 1 416 . 1 1 38 38 TYR N N 15 129.202 0.3 . 1 . . . . 38 TYR N . 11077 1 417 . 1 1 39 39 VAL H H 1 9.053 0.03 . 1 . . . . 39 VAL H . 11077 1 418 . 1 1 39 39 VAL HA H 1 5.048 0.03 . 1 . . . . 39 VAL HA . 11077 1 419 . 1 1 39 39 VAL HB H 1 1.817 0.03 . 1 . . . . 39 VAL HB . 11077 1 420 . 1 1 39 39 VAL HG11 H 1 0.476 0.03 . 2 . . . . 39 VAL QG1 . 11077 1 421 . 1 1 39 39 VAL HG12 H 1 0.476 0.03 . 2 . . . . 39 VAL QG1 . 11077 1 422 . 1 1 39 39 VAL HG13 H 1 0.476 0.03 . 2 . . . . 39 VAL QG1 . 11077 1 423 . 1 1 39 39 VAL HG21 H 1 0.813 0.03 . 2 . . . . 39 VAL QG2 . 11077 1 424 . 1 1 39 39 VAL HG22 H 1 0.813 0.03 . 2 . . . . 39 VAL QG2 . 11077 1 425 . 1 1 39 39 VAL HG23 H 1 0.813 0.03 . 2 . . . . 39 VAL QG2 . 11077 1 426 . 1 1 39 39 VAL CA C 13 60.685 0.3 . 1 . . . . 39 VAL CA . 11077 1 427 . 1 1 39 39 VAL CB C 13 34.107 0.3 . 1 . . . . 39 VAL CB . 11077 1 428 . 1 1 39 39 VAL CG1 C 13 22.484 0.3 . 2 . . . . 39 VAL CG1 . 11077 1 429 . 1 1 39 39 VAL CG2 C 13 21.141 0.3 . 2 . . . . 39 VAL CG2 . 11077 1 430 . 1 1 39 39 VAL N N 15 127.771 0.3 . 1 . . . . 39 VAL N . 11077 1 431 . 1 1 40 40 VAL H H 1 9.276 0.03 . 1 . . . . 40 VAL H . 11077 1 432 . 1 1 40 40 VAL HA H 1 4.862 0.03 . 1 . . . . 40 VAL HA . 11077 1 433 . 1 1 40 40 VAL HB H 1 1.882 0.03 . 1 . . . . 40 VAL HB . 11077 1 434 . 1 1 40 40 VAL HG11 H 1 0.765 0.03 . 2 . . . . 40 VAL QG1 . 11077 1 435 . 1 1 40 40 VAL HG12 H 1 0.765 0.03 . 2 . . . . 40 VAL QG1 . 11077 1 436 . 1 1 40 40 VAL HG13 H 1 0.765 0.03 . 2 . . . . 40 VAL QG1 . 11077 1 437 . 1 1 40 40 VAL HG21 H 1 0.772 0.03 . 2 . . . . 40 VAL QG2 . 11077 1 438 . 1 1 40 40 VAL HG22 H 1 0.772 0.03 . 2 . . . . 40 VAL QG2 . 11077 1 439 . 1 1 40 40 VAL HG23 H 1 0.772 0.03 . 2 . . . . 40 VAL QG2 . 11077 1 440 . 1 1 40 40 VAL CA C 13 60.896 0.3 . 1 . . . . 40 VAL CA . 11077 1 441 . 1 1 40 40 VAL CB C 13 34.411 0.3 . 1 . . . . 40 VAL CB . 11077 1 442 . 1 1 40 40 VAL CG1 C 13 21.236 0.3 . 2 . . . . 40 VAL CG1 . 11077 1 443 . 1 1 40 40 VAL CG2 C 13 20.774 0.3 . 2 . . . . 40 VAL CG2 . 11077 1 444 . 1 1 40 40 VAL N N 15 130.939 0.3 . 1 . . . . 40 VAL N . 11077 1 445 . 1 1 41 41 LEU H H 1 8.714 0.03 . 1 . . . . 41 LEU H . 11077 1 446 . 1 1 41 41 LEU HA H 1 5.111 0.03 . 1 . . . . 41 LEU HA . 11077 1 447 . 1 1 41 41 LEU HB2 H 1 1.522 0.03 . 2 . . . . 41 LEU HB2 . 11077 1 448 . 1 1 41 41 LEU HB3 H 1 1.635 0.03 . 2 . . . . 41 LEU HB3 . 11077 1 449 . 1 1 41 41 LEU HD11 H 1 0.831 0.03 . 2 . . . . 41 LEU QD1 . 11077 1 450 . 1 1 41 41 LEU HD12 H 1 0.831 0.03 . 2 . . . . 41 LEU QD1 . 11077 1 451 . 1 1 41 41 LEU HD13 H 1 0.831 0.03 . 2 . . . . 41 LEU QD1 . 11077 1 452 . 1 1 41 41 LEU HD21 H 1 0.765 0.03 . 2 . . . . 41 LEU QD2 . 11077 1 453 . 1 1 41 41 LEU HD22 H 1 0.765 0.03 . 2 . . . . 41 LEU QD2 . 11077 1 454 . 1 1 41 41 LEU HD23 H 1 0.765 0.03 . 2 . . . . 41 LEU QD2 . 11077 1 455 . 1 1 41 41 LEU HG H 1 1.581 0.03 . 1 . . . . 41 LEU HG . 11077 1 456 . 1 1 41 41 LEU CA C 13 53.15 0.3 . 1 . . . . 41 LEU CA . 11077 1 457 . 1 1 41 41 LEU CB C 13 42.538 0.3 . 1 . . . . 41 LEU CB . 11077 1 458 . 1 1 41 41 LEU CD1 C 13 23.351 0.3 . 2 . . . . 41 LEU CD1 . 11077 1 459 . 1 1 41 41 LEU CD2 C 13 26.118 0.3 . 2 . . . . 41 LEU CD2 . 11077 1 460 . 1 1 41 41 LEU CG C 13 27.172 0.3 . 1 . . . . 41 LEU CG . 11077 1 461 . 1 1 41 41 LEU N N 15 130.2 0.3 . 1 . . . . 41 LEU N . 11077 1 462 . 1 1 42 42 LYS H H 1 8.955 0.03 . 1 . . . . 42 LYS H . 11077 1 463 . 1 1 42 42 LYS HA H 1 5.18 0.03 . 1 . . . . 42 LYS HA . 11077 1 464 . 1 1 42 42 LYS HB2 H 1 1.547 0.03 . 2 . . . . 42 LYS HB2 . 11077 1 465 . 1 1 42 42 LYS HB3 H 1 1.708 0.03 . 2 . . . . 42 LYS HB3 . 11077 1 466 . 1 1 42 42 LYS HD2 H 1 1.454 0.03 . 2 . . . . 42 LYS HD2 . 11077 1 467 . 1 1 42 42 LYS HD3 H 1 1.454 0.03 . 2 . . . . 42 LYS HD3 . 11077 1 468 . 1 1 42 42 LYS HE2 H 1 2.699 0.03 . 2 . . . . 42 LYS HE2 . 11077 1 469 . 1 1 42 42 LYS HE3 H 1 2.699 0.03 . 2 . . . . 42 LYS HE3 . 11077 1 470 . 1 1 42 42 LYS HG2 H 1 1.169 0.03 . 2 . . . . 42 LYS HG2 . 11077 1 471 . 1 1 42 42 LYS HG3 H 1 1.219 0.03 . 2 . . . . 42 LYS HG3 . 11077 1 472 . 1 1 42 42 LYS CA C 13 55.017 0.3 . 1 . . . . 42 LYS CA . 11077 1 473 . 1 1 42 42 LYS CB C 13 36.649 0.3 . 1 . . . . 42 LYS CB . 11077 1 474 . 1 1 42 42 LYS CD C 13 29.614 0.3 . 1 . . . . 42 LYS CD . 11077 1 475 . 1 1 42 42 LYS CE C 13 41.767 0.3 . 1 . . . . 42 LYS CE . 11077 1 476 . 1 1 42 42 LYS CG C 13 24.812 0.3 . 1 . . . . 42 LYS CG . 11077 1 477 . 1 1 42 42 LYS N N 15 124.155 0.3 . 1 . . . . 42 LYS N . 11077 1 478 . 1 1 43 43 VAL H H 1 7.515 0.03 . 1 . . . . 43 VAL H . 11077 1 479 . 1 1 43 43 VAL HA H 1 4.36 0.03 . 1 . . . . 43 VAL HA . 11077 1 480 . 1 1 43 43 VAL HB H 1 1.627 0.03 . 1 . . . . 43 VAL HB . 11077 1 481 . 1 1 43 43 VAL HG11 H 1 0.415 0.03 . 2 . . . . 43 VAL QG1 . 11077 1 482 . 1 1 43 43 VAL HG12 H 1 0.415 0.03 . 2 . . . . 43 VAL QG1 . 11077 1 483 . 1 1 43 43 VAL HG13 H 1 0.415 0.03 . 2 . . . . 43 VAL QG1 . 11077 1 484 . 1 1 43 43 VAL HG21 H 1 0.44 0.03 . 2 . . . . 43 VAL QG2 . 11077 1 485 . 1 1 43 43 VAL HG22 H 1 0.44 0.03 . 2 . . . . 43 VAL QG2 . 11077 1 486 . 1 1 43 43 VAL HG23 H 1 0.44 0.03 . 2 . . . . 43 VAL QG2 . 11077 1 487 . 1 1 43 43 VAL CA C 13 61.23 0.3 . 1 . . . . 43 VAL CA . 11077 1 488 . 1 1 43 43 VAL CB C 13 33.656 0.3 . 1 . . . . 43 VAL CB . 11077 1 489 . 1 1 43 43 VAL CG1 C 13 20.313 0.3 . 2 . . . . 43 VAL CG1 . 11077 1 490 . 1 1 43 43 VAL CG2 C 13 21.731 0.3 . 2 . . . . 43 VAL CG2 . 11077 1 491 . 1 1 43 43 VAL N N 15 124.332 0.3 . 1 . . . . 43 VAL N . 11077 1 492 . 1 1 44 44 GLU H H 1 8.092 0.03 . 1 . . . . 44 GLU H . 11077 1 493 . 1 1 44 44 GLU HA H 1 4.368 0.03 . 1 . . . . 44 GLU HA . 11077 1 494 . 1 1 44 44 GLU HB2 H 1 1.86 0.03 . 2 . . . . 44 GLU HB2 . 11077 1 495 . 1 1 44 44 GLU HB3 H 1 1.717 0.03 . 2 . . . . 44 GLU HB3 . 11077 1 496 . 1 1 44 44 GLU HG2 H 1 2.033 0.03 . 2 . . . . 44 GLU HG2 . 11077 1 497 . 1 1 44 44 GLU HG3 H 1 2.033 0.03 . 2 . . . . 44 GLU HG3 . 11077 1 498 . 1 1 44 44 GLU CA C 13 55.445 0.3 . 1 . . . . 44 GLU CA . 11077 1 499 . 1 1 44 44 GLU CB C 13 31.404 0.3 . 1 . . . . 44 GLU CB . 11077 1 500 . 1 1 44 44 GLU CG C 13 36.074 0.3 . 1 . . . . 44 GLU CG . 11077 1 501 . 1 1 44 44 GLU N N 15 130.594 0.3 . 1 . . . . 44 GLU N . 11077 1 502 . 1 1 45 45 LYS H H 1 8.982 0.03 . 1 . . . . 45 LYS H . 11077 1 503 . 1 1 45 45 LYS HA H 1 3.695 0.03 . 1 . . . . 45 LYS HA . 11077 1 504 . 1 1 45 45 LYS HB2 H 1 1.884 0.03 . 2 . . . . 45 LYS HB2 . 11077 1 505 . 1 1 45 45 LYS HB3 H 1 2.115 0.03 . 2 . . . . 45 LYS HB3 . 11077 1 506 . 1 1 45 45 LYS HD2 H 1 1.645 0.03 . 2 . . . . 45 LYS HD2 . 11077 1 507 . 1 1 45 45 LYS HD3 H 1 1.645 0.03 . 2 . . . . 45 LYS HD3 . 11077 1 508 . 1 1 45 45 LYS HE2 H 1 2.934 0.03 . 2 . . . . 45 LYS HE2 . 11077 1 509 . 1 1 45 45 LYS HE3 H 1 2.934 0.03 . 2 . . . . 45 LYS HE3 . 11077 1 510 . 1 1 45 45 LYS HG2 H 1 1.374 0.03 . 2 . . . . 45 LYS HG2 . 11077 1 511 . 1 1 45 45 LYS HG3 H 1 1.4 0.03 . 2 . . . . 45 LYS HG3 . 11077 1 512 . 1 1 45 45 LYS CA C 13 59.588 0.3 . 1 . . . . 45 LYS CA . 11077 1 513 . 1 1 45 45 LYS CB C 13 30.077 0.3 . 1 . . . . 45 LYS CB . 11077 1 514 . 1 1 45 45 LYS CD C 13 28.924 0.3 . 1 . . . . 45 LYS CD . 11077 1 515 . 1 1 45 45 LYS CE C 13 42.077 0.3 . 1 . . . . 45 LYS CE . 11077 1 516 . 1 1 45 45 LYS CG C 13 25.354 0.3 . 1 . . . . 45 LYS CG . 11077 1 517 . 1 1 45 45 LYS N N 15 125.587 0.3 . 1 . . . . 45 LYS N . 11077 1 518 . 1 1 46 46 VAL H H 1 7.71 0.03 . 1 . . . . 46 VAL H . 11077 1 519 . 1 1 46 46 VAL HA H 1 4.346 0.03 . 1 . . . . 46 VAL HA . 11077 1 520 . 1 1 46 46 VAL HB H 1 2.468 0.03 . 1 . . . . 46 VAL HB . 11077 1 521 . 1 1 46 46 VAL HG11 H 1 0.913 0.03 . 2 . . . . 46 VAL QG1 . 11077 1 522 . 1 1 46 46 VAL HG12 H 1 0.913 0.03 . 2 . . . . 46 VAL QG1 . 11077 1 523 . 1 1 46 46 VAL HG13 H 1 0.913 0.03 . 2 . . . . 46 VAL QG1 . 11077 1 524 . 1 1 46 46 VAL HG21 H 1 0.832 0.03 . 2 . . . . 46 VAL QG2 . 11077 1 525 . 1 1 46 46 VAL HG22 H 1 0.832 0.03 . 2 . . . . 46 VAL QG2 . 11077 1 526 . 1 1 46 46 VAL HG23 H 1 0.832 0.03 . 2 . . . . 46 VAL QG2 . 11077 1 527 . 1 1 46 46 VAL CA C 13 61.342 0.3 . 1 . . . . 46 VAL CA . 11077 1 528 . 1 1 46 46 VAL CB C 13 31.917 0.3 . 1 . . . . 46 VAL CB . 11077 1 529 . 1 1 46 46 VAL CG1 C 13 21.588 0.3 . 2 . . . . 46 VAL CG1 . 11077 1 530 . 1 1 46 46 VAL CG2 C 13 19.105 0.3 . 2 . . . . 46 VAL CG2 . 11077 1 531 . 1 1 46 46 VAL N N 15 115.763 0.3 . 1 . . . . 46 VAL N . 11077 1 532 . 1 1 47 47 THR H H 1 8.151 0.03 . 1 . . . . 47 THR H . 11077 1 533 . 1 1 47 47 THR HA H 1 4.397 0.03 . 1 . . . . 47 THR HA . 11077 1 534 . 1 1 47 47 THR HB H 1 4.077 0.03 . 1 . . . . 47 THR HB . 11077 1 535 . 1 1 47 47 THR HG21 H 1 1.096 0.03 . 1 . . . . 47 THR QG2 . 11077 1 536 . 1 1 47 47 THR HG22 H 1 1.096 0.03 . 1 . . . . 47 THR QG2 . 11077 1 537 . 1 1 47 47 THR HG23 H 1 1.096 0.03 . 1 . . . . 47 THR QG2 . 11077 1 538 . 1 1 47 47 THR CA C 13 63.072 0.3 . 1 . . . . 47 THR CA . 11077 1 539 . 1 1 47 47 THR CB C 13 69.615 0.3 . 1 . . . . 47 THR CB . 11077 1 540 . 1 1 47 47 THR CG2 C 13 21.663 0.3 . 1 . . . . 47 THR CG2 . 11077 1 541 . 1 1 47 47 THR N N 15 120.888 0.3 . 1 . . . . 47 THR N . 11077 1 542 . 1 1 48 48 HIS H H 1 8.753 0.03 . 1 . . . . 48 HIS H . 11077 1 543 . 1 1 48 48 HIS HA H 1 4.826 0.03 . 1 . . . . 48 HIS HA . 11077 1 544 . 1 1 48 48 HIS HB2 H 1 2.819 0.03 . 2 . . . . 48 HIS HB2 . 11077 1 545 . 1 1 48 48 HIS HB3 H 1 2.748 0.03 . 2 . . . . 48 HIS HB3 . 11077 1 546 . 1 1 48 48 HIS HD2 H 1 6.693 0.03 . 1 . . . . 48 HIS HD2 . 11077 1 547 . 1 1 48 48 HIS CA C 13 55.978 0.3 . 1 . . . . 48 HIS CA . 11077 1 548 . 1 1 48 48 HIS CB C 13 30.476 0.3 . 1 . . . . 48 HIS CB . 11077 1 549 . 1 1 48 48 HIS CD2 C 13 122.469 0.3 . 1 . . . . 48 HIS CD2 . 11077 1 550 . 1 1 48 48 HIS N N 15 130.755 0.3 . 1 . . . . 48 HIS N . 11077 1 551 . 1 1 49 49 THR H H 1 9.136 0.03 . 1 . . . . 49 THR H . 11077 1 552 . 1 1 49 49 THR HA H 1 5.245 0.03 . 1 . . . . 49 THR HA . 11077 1 553 . 1 1 49 49 THR HB H 1 3.902 0.03 . 1 . . . . 49 THR HB . 11077 1 554 . 1 1 49 49 THR HG21 H 1 1.122 0.03 . 1 . . . . 49 THR QG2 . 11077 1 555 . 1 1 49 49 THR HG22 H 1 1.122 0.03 . 1 . . . . 49 THR QG2 . 11077 1 556 . 1 1 49 49 THR HG23 H 1 1.122 0.03 . 1 . . . . 49 THR QG2 . 11077 1 557 . 1 1 49 49 THR CA C 13 60.941 0.3 . 1 . . . . 49 THR CA . 11077 1 558 . 1 1 49 49 THR CB C 13 71.411 0.3 . 1 . . . . 49 THR CB . 11077 1 559 . 1 1 49 49 THR CG2 C 13 21.715 0.3 . 1 . . . . 49 THR CG2 . 11077 1 560 . 1 1 49 49 THR N N 15 118.522 0.3 . 1 . . . . 49 THR N . 11077 1 561 . 1 1 50 50 SER H H 1 9.05 0.03 . 1 . . . . 50 SER H . 11077 1 562 . 1 1 50 50 SER HA H 1 5.348 0.03 . 1 . . . . 50 SER HA . 11077 1 563 . 1 1 50 50 SER HB2 H 1 3.506 0.03 . 2 . . . . 50 SER HB2 . 11077 1 564 . 1 1 50 50 SER HB3 H 1 3.513 0.03 . 2 . . . . 50 SER HB3 . 11077 1 565 . 1 1 50 50 SER CA C 13 55.645 0.3 . 1 . . . . 50 SER CA . 11077 1 566 . 1 1 50 50 SER CB C 13 66.579 0.3 . 1 . . . . 50 SER CB . 11077 1 567 . 1 1 50 50 SER N N 15 119.749 0.3 . 1 . . . . 50 SER N . 11077 1 568 . 1 1 51 51 ASP H H 1 8.843 0.03 . 1 . . . . 51 ASP H . 11077 1 569 . 1 1 51 51 ASP HA H 1 5.363 0.03 . 1 . . . . 51 ASP HA . 11077 1 570 . 1 1 51 51 ASP HB2 H 1 2.663 0.03 . 2 . . . . 51 ASP HB2 . 11077 1 571 . 1 1 51 51 ASP HB3 H 1 2.53 0.03 . 2 . . . . 51 ASP HB3 . 11077 1 572 . 1 1 51 51 ASP CA C 13 52.879 0.3 . 1 . . . . 51 ASP CA . 11077 1 573 . 1 1 51 51 ASP CB C 13 45.173 0.3 . 1 . . . . 51 ASP CB . 11077 1 574 . 1 1 51 51 ASP N N 15 126.33 0.3 . 1 . . . . 51 ASP N . 11077 1 575 . 1 1 52 52 ALA H H 1 8.938 0.03 . 1 . . . . 52 ALA H . 11077 1 576 . 1 1 52 52 ALA HA H 1 5.777 0.03 . 1 . . . . 52 ALA HA . 11077 1 577 . 1 1 52 52 ALA HB1 H 1 1.37 0.03 . 1 . . . . 52 ALA QB . 11077 1 578 . 1 1 52 52 ALA HB2 H 1 1.37 0.03 . 1 . . . . 52 ALA QB . 11077 1 579 . 1 1 52 52 ALA HB3 H 1 1.37 0.03 . 1 . . . . 52 ALA QB . 11077 1 580 . 1 1 52 52 ALA CA C 13 50.806 0.3 . 1 . . . . 52 ALA CA . 11077 1 581 . 1 1 52 52 ALA CB C 13 24.676 0.3 . 1 . . . . 52 ALA CB . 11077 1 582 . 1 1 52 52 ALA N N 15 122.789 0.3 . 1 . . . . 52 ALA N . 11077 1 583 . 1 1 53 53 THR H H 1 8.666 0.03 . 1 . . . . 53 THR H . 11077 1 584 . 1 1 53 53 THR HA H 1 4.979 0.03 . 1 . . . . 53 THR HA . 11077 1 585 . 1 1 53 53 THR HB H 1 4.03 0.03 . 1 . . . . 53 THR HB . 11077 1 586 . 1 1 53 53 THR HG21 H 1 0.914 0.03 . 1 . . . . 53 THR QG2 . 11077 1 587 . 1 1 53 53 THR HG22 H 1 0.914 0.03 . 1 . . . . 53 THR QG2 . 11077 1 588 . 1 1 53 53 THR HG23 H 1 0.914 0.03 . 1 . . . . 53 THR QG2 . 11077 1 589 . 1 1 53 53 THR CA C 13 62.026 0.3 . 1 . . . . 53 THR CA . 11077 1 590 . 1 1 53 53 THR CB C 13 70.85 0.3 . 1 . . . . 53 THR CB . 11077 1 591 . 1 1 53 53 THR CG2 C 13 21.432 0.3 . 1 . . . . 53 THR CG2 . 11077 1 592 . 1 1 53 53 THR N N 15 118.344 0.3 . 1 . . . . 53 THR N . 11077 1 593 . 1 1 54 54 LEU H H 1 9.662 0.03 . 1 . . . . 54 LEU H . 11077 1 594 . 1 1 54 54 LEU HA H 1 4.921 0.03 . 1 . . . . 54 LEU HA . 11077 1 595 . 1 1 54 54 LEU HB2 H 1 1.618 0.03 . 2 . . . . 54 LEU HB2 . 11077 1 596 . 1 1 54 54 LEU HB3 H 1 1.408 0.03 . 2 . . . . 54 LEU HB3 . 11077 1 597 . 1 1 54 54 LEU HD11 H 1 0.84 0.03 . 2 . . . . 54 LEU QD1 . 11077 1 598 . 1 1 54 54 LEU HD12 H 1 0.84 0.03 . 2 . . . . 54 LEU QD1 . 11077 1 599 . 1 1 54 54 LEU HD13 H 1 0.84 0.03 . 2 . . . . 54 LEU QD1 . 11077 1 600 . 1 1 54 54 LEU HD21 H 1 0.843 0.03 . 2 . . . . 54 LEU QD2 . 11077 1 601 . 1 1 54 54 LEU HD22 H 1 0.843 0.03 . 2 . . . . 54 LEU QD2 . 11077 1 602 . 1 1 54 54 LEU HD23 H 1 0.843 0.03 . 2 . . . . 54 LEU QD2 . 11077 1 603 . 1 1 54 54 LEU HG H 1 1.778 0.03 . 1 . . . . 54 LEU HG . 11077 1 604 . 1 1 54 54 LEU CA C 13 53.923 0.3 . 1 . . . . 54 LEU CA . 11077 1 605 . 1 1 54 54 LEU CB C 13 43.782 0.3 . 1 . . . . 54 LEU CB . 11077 1 606 . 1 1 54 54 LEU CD1 C 13 26.458 0.3 . 2 . . . . 54 LEU CD1 . 11077 1 607 . 1 1 54 54 LEU CD2 C 13 26.458 0.3 . 2 . . . . 54 LEU CD2 . 11077 1 608 . 1 1 54 54 LEU CG C 13 28.377 0.3 . 1 . . . . 54 LEU CG . 11077 1 609 . 1 1 54 54 LEU N N 15 129.166 0.3 . 1 . . . . 54 LEU N . 11077 1 610 . 1 1 55 55 HIS H H 1 8.956 0.03 . 1 . . . . 55 HIS H . 11077 1 611 . 1 1 55 55 HIS HA H 1 4.882 0.03 . 1 . . . . 55 HIS HA . 11077 1 612 . 1 1 55 55 HIS HB2 H 1 3.264 0.03 . 2 . . . . 55 HIS HB2 . 11077 1 613 . 1 1 55 55 HIS HB3 H 1 3.313 0.03 . 2 . . . . 55 HIS HB3 . 11077 1 614 . 1 1 55 55 HIS HD2 H 1 6.78 0.03 . 1 . . . . 55 HIS HD2 . 11077 1 615 . 1 1 55 55 HIS CA C 13 56.326 0.3 . 1 . . . . 55 HIS CA . 11077 1 616 . 1 1 55 55 HIS CB C 13 30.431 0.3 . 1 . . . . 55 HIS CB . 11077 1 617 . 1 1 55 55 HIS CD2 C 13 118.136 0.3 . 1 . . . . 55 HIS CD2 . 11077 1 618 . 1 1 55 55 HIS N N 15 126.094 0.3 . 1 . . . . 55 HIS N . 11077 1 619 . 1 1 56 56 VAL H H 1 8.151 0.03 . 1 . . . . 56 VAL H . 11077 1 620 . 1 1 56 56 VAL HA H 1 4.856 0.03 . 1 . . . . 56 VAL HA . 11077 1 621 . 1 1 56 56 VAL HB H 1 2.049 0.03 . 1 . . . . 56 VAL HB . 11077 1 622 . 1 1 56 56 VAL HG11 H 1 0.553 0.03 . 2 . . . . 56 VAL QG1 . 11077 1 623 . 1 1 56 56 VAL HG12 H 1 0.553 0.03 . 2 . . . . 56 VAL QG1 . 11077 1 624 . 1 1 56 56 VAL HG13 H 1 0.553 0.03 . 2 . . . . 56 VAL QG1 . 11077 1 625 . 1 1 56 56 VAL HG21 H 1 0.672 0.03 . 2 . . . . 56 VAL QG2 . 11077 1 626 . 1 1 56 56 VAL HG22 H 1 0.672 0.03 . 2 . . . . 56 VAL QG2 . 11077 1 627 . 1 1 56 56 VAL HG23 H 1 0.672 0.03 . 2 . . . . 56 VAL QG2 . 11077 1 628 . 1 1 56 56 VAL CA C 13 58.734 0.3 . 1 . . . . 56 VAL CA . 11077 1 629 . 1 1 56 56 VAL CB C 13 34.523 0.3 . 1 . . . . 56 VAL CB . 11077 1 630 . 1 1 56 56 VAL CG1 C 13 19.352 0.3 . 2 . . . . 56 VAL CG1 . 11077 1 631 . 1 1 56 56 VAL CG2 C 13 21.059 0.3 . 2 . . . . 56 VAL CG2 . 11077 1 632 . 1 1 56 56 VAL N N 15 120.242 0.3 . 1 . . . . 56 VAL N . 11077 1 633 . 1 1 57 57 ASN H H 1 8.97 0.03 . 1 . . . . 57 ASN H . 11077 1 634 . 1 1 57 57 ASN HA H 1 4.463 0.03 . 1 . . . . 57 ASN HA . 11077 1 635 . 1 1 57 57 ASN HB2 H 1 2.714 0.03 . 2 . . . . 57 ASN HB2 . 11077 1 636 . 1 1 57 57 ASN HB3 H 1 2.94 0.03 . 2 . . . . 57 ASN HB3 . 11077 1 637 . 1 1 57 57 ASN CA C 13 54.963 0.3 . 1 . . . . 57 ASN CA . 11077 1 638 . 1 1 57 57 ASN CB C 13 37.481 0.3 . 1 . . . . 57 ASN CB . 11077 1 639 . 1 1 57 57 ASN N N 15 124.652 0.3 . 1 . . . . 57 ASN N . 11077 1 640 . 1 1 58 58 GLY H H 1 8.868 0.03 . 1 . . . . 58 GLY H . 11077 1 641 . 1 1 58 58 GLY HA2 H 1 3.814 0.03 . 2 . . . . 58 GLY HA2 . 11077 1 642 . 1 1 58 58 GLY HA3 H 1 4.152 0.03 . 2 . . . . 58 GLY HA3 . 11077 1 643 . 1 1 58 58 GLY CA C 13 45.606 0.3 . 1 . . . . 58 GLY CA . 11077 1 644 . 1 1 58 58 GLY N N 15 112.816 0.3 . 1 . . . . 58 GLY N . 11077 1 645 . 1 1 59 59 GLY H H 1 7.848 0.03 . 1 . . . . 59 GLY H . 11077 1 646 . 1 1 59 59 GLY HA2 H 1 3.978 0.03 . 2 . . . . 59 GLY HA2 . 11077 1 647 . 1 1 59 59 GLY HA3 H 1 4.153 0.03 . 2 . . . . 59 GLY HA3 . 11077 1 648 . 1 1 59 59 GLY CA C 13 45.321 0.3 . 1 . . . . 59 GLY CA . 11077 1 649 . 1 1 59 59 GLY N N 15 109.857 0.3 . 1 . . . . 59 GLY N . 11077 1 650 . 1 1 60 60 GLU H H 1 8.262 0.03 . 1 . . . . 60 GLU H . 11077 1 651 . 1 1 60 60 GLU HA H 1 5.11 0.03 . 1 . . . . 60 GLU HA . 11077 1 652 . 1 1 60 60 GLU HB2 H 1 1.546 0.03 . 2 . . . . 60 GLU HB2 . 11077 1 653 . 1 1 60 60 GLU HB3 H 1 1.598 0.03 . 2 . . . . 60 GLU HB3 . 11077 1 654 . 1 1 60 60 GLU HG2 H 1 1.82 0.03 . 2 . . . . 60 GLU HG2 . 11077 1 655 . 1 1 60 60 GLU HG3 H 1 1.677 0.03 . 2 . . . . 60 GLU HG3 . 11077 1 656 . 1 1 60 60 GLU CA C 13 54.756 0.3 . 1 . . . . 60 GLU CA . 11077 1 657 . 1 1 60 60 GLU CB C 13 32.933 0.3 . 1 . . . . 60 GLU CB . 11077 1 658 . 1 1 60 60 GLU CG C 13 35.919 0.3 . 1 . . . . 60 GLU CG . 11077 1 659 . 1 1 60 60 GLU N N 15 121.732 0.3 . 1 . . . . 60 GLU N . 11077 1 660 . 1 1 61 61 ILE H H 1 8.764 0.03 . 1 . . . . 61 ILE H . 11077 1 661 . 1 1 61 61 ILE HA H 1 4.286 0.03 . 1 . . . . 61 ILE HA . 11077 1 662 . 1 1 61 61 ILE HB H 1 1.496 0.03 . 1 . . . . 61 ILE HB . 11077 1 663 . 1 1 61 61 ILE HD11 H 1 0.443 0.03 . 1 . . . . 61 ILE QD1 . 11077 1 664 . 1 1 61 61 ILE HD12 H 1 0.443 0.03 . 1 . . . . 61 ILE QD1 . 11077 1 665 . 1 1 61 61 ILE HD13 H 1 0.443 0.03 . 1 . . . . 61 ILE QD1 . 11077 1 666 . 1 1 61 61 ILE HG12 H 1 0.93 0.03 . 2 . . . . 61 ILE HG12 . 11077 1 667 . 1 1 61 61 ILE HG13 H 1 1.174 0.03 . 2 . . . . 61 ILE HG13 . 11077 1 668 . 1 1 61 61 ILE HG21 H 1 0.678 0.03 . 1 . . . . 61 ILE QG2 . 11077 1 669 . 1 1 61 61 ILE HG22 H 1 0.678 0.03 . 1 . . . . 61 ILE QG2 . 11077 1 670 . 1 1 61 61 ILE HG23 H 1 0.678 0.03 . 1 . . . . 61 ILE QG2 . 11077 1 671 . 1 1 61 61 ILE CA C 13 59.713 0.3 . 1 . . . . 61 ILE CA . 11077 1 672 . 1 1 61 61 ILE CB C 13 41.194 0.3 . 1 . . . . 61 ILE CB . 11077 1 673 . 1 1 61 61 ILE CD1 C 13 13.224 0.3 . 1 . . . . 61 ILE CD1 . 11077 1 674 . 1 1 61 61 ILE CG1 C 13 27.184 0.3 . 1 . . . . 61 ILE CG1 . 11077 1 675 . 1 1 61 61 ILE CG2 C 13 17.425 0.3 . 1 . . . . 61 ILE CG2 . 11077 1 676 . 1 1 61 61 ILE N N 15 124.817 0.3 . 1 . . . . 61 ILE N . 11077 1 677 . 1 1 62 62 HIS H H 1 8.907 0.03 . 1 . . . . 62 HIS H . 11077 1 678 . 1 1 62 62 HIS HA H 1 5.743 0.03 . 1 . . . . 62 HIS HA . 11077 1 679 . 1 1 62 62 HIS HB2 H 1 3.055 0.03 . 2 . . . . 62 HIS HB2 . 11077 1 680 . 1 1 62 62 HIS HB3 H 1 3.042 0.03 . 2 . . . . 62 HIS HB3 . 11077 1 681 . 1 1 62 62 HIS HD2 H 1 7.116 0.03 . 1 . . . . 62 HIS HD2 . 11077 1 682 . 1 1 62 62 HIS CA C 13 54.009 0.3 . 1 . . . . 62 HIS CA . 11077 1 683 . 1 1 62 62 HIS CB C 13 32.365 0.3 . 1 . . . . 62 HIS CB . 11077 1 684 . 1 1 62 62 HIS CD2 C 13 120.019 0.3 . 1 . . . . 62 HIS CD2 . 11077 1 685 . 1 1 62 62 HIS N N 15 127.338 0.3 . 1 . . . . 62 HIS N . 11077 1 686 . 1 1 63 63 ALA H H 1 8.298 0.03 . 1 . . . . 63 ALA H . 11077 1 687 . 1 1 63 63 ALA HA H 1 4.48 0.03 . 1 . . . . 63 ALA HA . 11077 1 688 . 1 1 63 63 ALA HB1 H 1 1.192 0.03 . 1 . . . . 63 ALA QB . 11077 1 689 . 1 1 63 63 ALA HB2 H 1 1.192 0.03 . 1 . . . . 63 ALA QB . 11077 1 690 . 1 1 63 63 ALA HB3 H 1 1.192 0.03 . 1 . . . . 63 ALA QB . 11077 1 691 . 1 1 63 63 ALA CA C 13 51.764 0.3 . 1 . . . . 63 ALA CA . 11077 1 692 . 1 1 63 63 ALA CB C 13 23.678 0.3 . 1 . . . . 63 ALA CB . 11077 1 693 . 1 1 63 63 ALA N N 15 125.511 0.3 . 1 . . . . 63 ALA N . 11077 1 694 . 1 1 64 64 SER H H 1 8.07 0.03 . 1 . . . . 64 SER H . 11077 1 695 . 1 1 64 64 SER HA H 1 5.286 0.03 . 1 . . . . 64 SER HA . 11077 1 696 . 1 1 64 64 SER HB2 H 1 3.67 0.03 . 2 . . . . 64 SER HB2 . 11077 1 697 . 1 1 64 64 SER HB3 H 1 3.69 0.03 . 2 . . . . 64 SER HB3 . 11077 1 698 . 1 1 64 64 SER CA C 13 56.782 0.3 . 1 . . . . 64 SER CA . 11077 1 699 . 1 1 64 64 SER CB C 13 65.895 0.3 . 1 . . . . 64 SER CB . 11077 1 700 . 1 1 64 64 SER N N 15 114.469 0.3 . 1 . . . . 64 SER N . 11077 1 701 . 1 1 65 65 ALA H H 1 8.904 0.03 . 1 . . . . 65 ALA H . 11077 1 702 . 1 1 65 65 ALA HA H 1 4.669 0.03 . 1 . . . . 65 ALA HA . 11077 1 703 . 1 1 65 65 ALA HB1 H 1 1.397 0.03 . 1 . . . . 65 ALA QB . 11077 1 704 . 1 1 65 65 ALA HB2 H 1 1.397 0.03 . 1 . . . . 65 ALA QB . 11077 1 705 . 1 1 65 65 ALA HB3 H 1 1.397 0.03 . 1 . . . . 65 ALA QB . 11077 1 706 . 1 1 65 65 ALA CA C 13 51.753 0.3 . 1 . . . . 65 ALA CA . 11077 1 707 . 1 1 65 65 ALA CB C 13 22.599 0.3 . 1 . . . . 65 ALA CB . 11077 1 708 . 1 1 65 65 ALA N N 15 126.977 0.3 . 1 . . . . 65 ALA N . 11077 1 709 . 1 1 66 66 GLU H H 1 8.2 0.03 . 1 . . . . 66 GLU H . 11077 1 710 . 1 1 66 66 GLU HA H 1 5.68 0.03 . 1 . . . . 66 GLU HA . 11077 1 711 . 1 1 66 66 GLU HB2 H 1 1.929 0.03 . 2 . . . . 66 GLU HB2 . 11077 1 712 . 1 1 66 66 GLU HB3 H 1 1.929 0.03 . 2 . . . . 66 GLU HB3 . 11077 1 713 . 1 1 66 66 GLU HG2 H 1 2.111 0.03 . 2 . . . . 66 GLU HG2 . 11077 1 714 . 1 1 66 66 GLU HG3 H 1 2.206 0.03 . 2 . . . . 66 GLU HG3 . 11077 1 715 . 1 1 66 66 GLU CA C 13 53.65 0.3 . 1 . . . . 66 GLU CA . 11077 1 716 . 1 1 66 66 GLU CB C 13 33.741 0.3 . 1 . . . . 66 GLU CB . 11077 1 717 . 1 1 66 66 GLU CG C 13 35.703 0.3 . 1 . . . . 66 GLU CG . 11077 1 718 . 1 1 66 66 GLU N N 15 119.267 0.3 . 1 . . . . 66 GLU N . 11077 1 719 . 1 1 67 67 GLY H H 1 8.836 0.03 . 1 . . . . 67 GLY H . 11077 1 720 . 1 1 67 67 GLY HA2 H 1 4.49 0.03 . 2 . . . . 67 GLY HA2 . 11077 1 721 . 1 1 67 67 GLY HA3 H 1 3.728 0.03 . 2 . . . . 67 GLY HA3 . 11077 1 722 . 1 1 67 67 GLY CA C 13 45.157 0.3 . 1 . . . . 67 GLY CA . 11077 1 723 . 1 1 67 67 GLY N N 15 108.048 0.3 . 1 . . . . 67 GLY N . 11077 1 724 . 1 1 68 68 GLN H H 1 8.997 0.03 . 1 . . . . 68 GLN H . 11077 1 725 . 1 1 68 68 GLN HA H 1 4.44 0.03 . 1 . . . . 68 GLN HA . 11077 1 726 . 1 1 68 68 GLN HB2 H 1 2.108 0.03 . 2 . . . . 68 GLN HB2 . 11077 1 727 . 1 1 68 68 GLN HB3 H 1 2.014 0.03 . 2 . . . . 68 GLN HB3 . 11077 1 728 . 1 1 68 68 GLN HG2 H 1 2.373 0.03 . 2 . . . . 68 GLN HG2 . 11077 1 729 . 1 1 68 68 GLN HG3 H 1 2.37 0.03 . 2 . . . . 68 GLN HG3 . 11077 1 730 . 1 1 68 68 GLN CA C 13 56.996 0.3 . 1 . . . . 68 GLN CA . 11077 1 731 . 1 1 68 68 GLN CB C 13 28.694 0.3 . 1 . . . . 68 GLN CB . 11077 1 732 . 1 1 68 68 GLN CG C 13 33.826 0.3 . 1 . . . . 68 GLN CG . 11077 1 733 . 1 1 68 68 GLN N N 15 119.961 0.3 . 1 . . . . 68 GLN N . 11077 1 734 . 1 1 69 69 ASP H H 1 7.542 0.03 . 1 . . . . 69 ASP H . 11077 1 735 . 1 1 69 69 ASP HA H 1 3.242 0.03 . 1 . . . . 69 ASP HA . 11077 1 736 . 1 1 69 69 ASP HB2 H 1 2.655 0.03 . 2 . . . . 69 ASP HB2 . 11077 1 737 . 1 1 69 69 ASP HB3 H 1 2.553 0.03 . 2 . . . . 69 ASP HB3 . 11077 1 738 . 1 1 69 69 ASP CA C 13 51.838 0.3 . 1 . . . . 69 ASP CA . 11077 1 739 . 1 1 69 69 ASP CB C 13 42.829 0.3 . 1 . . . . 69 ASP CB . 11077 1 740 . 1 1 69 69 ASP N N 15 115.279 0.3 . 1 . . . . 69 ASP N . 11077 1 741 . 1 1 70 70 MET H H 1 8.409 0.03 . 1 . . . . 70 MET H . 11077 1 742 . 1 1 70 70 MET HA H 1 4.2 0.03 . 1 . . . . 70 MET HA . 11077 1 743 . 1 1 70 70 MET HB2 H 1 1.932 0.03 . 2 . . . . 70 MET HB2 . 11077 1 744 . 1 1 70 70 MET HB3 H 1 1.472 0.03 . 2 . . . . 70 MET HB3 . 11077 1 745 . 1 1 70 70 MET HG2 H 1 2.303 0.03 . 2 . . . . 70 MET HG2 . 11077 1 746 . 1 1 70 70 MET HG3 H 1 2.303 0.03 . 2 . . . . 70 MET HG3 . 11077 1 747 . 1 1 70 70 MET CA C 13 56.505 0.3 . 1 . . . . 70 MET CA . 11077 1 748 . 1 1 70 70 MET CB C 13 31.533 0.3 . 1 . . . . 70 MET CB . 11077 1 749 . 1 1 70 70 MET CG C 13 32.148 0.3 . 1 . . . . 70 MET CG . 11077 1 750 . 1 1 70 70 MET N N 15 120.495 0.3 . 1 . . . . 70 MET N . 11077 1 751 . 1 1 71 71 TYR H H 1 7.304 0.03 . 1 . . . . 71 TYR H . 11077 1 752 . 1 1 71 71 TYR HA H 1 3.832 0.03 . 1 . . . . 71 TYR HA . 11077 1 753 . 1 1 71 71 TYR HB2 H 1 2.812 0.03 . 2 . . . . 71 TYR HB2 . 11077 1 754 . 1 1 71 71 TYR HB3 H 1 2.786 0.03 . 2 . . . . 71 TYR HB3 . 11077 1 755 . 1 1 71 71 TYR HD1 H 1 6.15 0.03 . 3 . . . . 71 TYR HD1 . 11077 1 756 . 1 1 71 71 TYR HE1 H 1 6.309 0.03 . 3 . . . . 71 TYR HE1 . 11077 1 757 . 1 1 71 71 TYR CA C 13 60.141 0.3 . 1 . . . . 71 TYR CA . 11077 1 758 . 1 1 71 71 TYR CB C 13 35.788 0.3 . 1 . . . . 71 TYR CB . 11077 1 759 . 1 1 71 71 TYR CD1 C 13 131.735 0.3 . 3 . . . . 71 TYR CD1 . 11077 1 760 . 1 1 71 71 TYR CE1 C 13 117.578 0.3 . 3 . . . . 71 TYR CE1 . 11077 1 761 . 1 1 71 71 TYR N N 15 120.024 0.3 . 1 . . . . 71 TYR N . 11077 1 762 . 1 1 72 72 ALA H H 1 8.474 0.03 . 1 . . . . 72 ALA H . 11077 1 763 . 1 1 72 72 ALA HA H 1 4.213 0.03 . 1 . . . . 72 ALA HA . 11077 1 764 . 1 1 72 72 ALA HB1 H 1 1.481 0.03 . 1 . . . . 72 ALA QB . 11077 1 765 . 1 1 72 72 ALA HB2 H 1 1.481 0.03 . 1 . . . . 72 ALA QB . 11077 1 766 . 1 1 72 72 ALA HB3 H 1 1.481 0.03 . 1 . . . . 72 ALA QB . 11077 1 767 . 1 1 72 72 ALA CA C 13 54.526 0.3 . 1 . . . . 72 ALA CA . 11077 1 768 . 1 1 72 72 ALA CB C 13 18.884 0.3 . 1 . . . . 72 ALA CB . 11077 1 769 . 1 1 72 72 ALA N N 15 123.384 0.3 . 1 . . . . 72 ALA N . 11077 1 770 . 1 1 73 73 ALA H H 1 7.595 0.03 . 1 . . . . 73 ALA H . 11077 1 771 . 1 1 73 73 ALA HA H 1 3.731 0.03 . 1 . . . . 73 ALA HA . 11077 1 772 . 1 1 73 73 ALA HB1 H 1 1.356 0.03 . 1 . . . . 73 ALA QB . 11077 1 773 . 1 1 73 73 ALA HB2 H 1 1.356 0.03 . 1 . . . . 73 ALA QB . 11077 1 774 . 1 1 73 73 ALA HB3 H 1 1.356 0.03 . 1 . . . . 73 ALA QB . 11077 1 775 . 1 1 73 73 ALA CA C 13 55.647 0.3 . 1 . . . . 73 ALA CA . 11077 1 776 . 1 1 73 73 ALA CB C 13 17.46 0.3 . 1 . . . . 73 ALA CB . 11077 1 777 . 1 1 73 73 ALA N N 15 123.415 0.3 . 1 . . . . 73 ALA N . 11077 1 778 . 1 1 74 74 ILE H H 1 7.958 0.03 . 1 . . . . 74 ILE H . 11077 1 779 . 1 1 74 74 ILE HA H 1 3.692 0.03 . 1 . . . . 74 ILE HA . 11077 1 780 . 1 1 74 74 ILE HB H 1 2.214 0.03 . 1 . . . . 74 ILE HB . 11077 1 781 . 1 1 74 74 ILE HD11 H 1 0.846 0.03 . 1 . . . . 74 ILE QD1 . 11077 1 782 . 1 1 74 74 ILE HD12 H 1 0.846 0.03 . 1 . . . . 74 ILE QD1 . 11077 1 783 . 1 1 74 74 ILE HD13 H 1 0.846 0.03 . 1 . . . . 74 ILE QD1 . 11077 1 784 . 1 1 74 74 ILE HG12 H 1 1.175 0.03 . 2 . . . . 74 ILE HG12 . 11077 1 785 . 1 1 74 74 ILE HG13 H 1 1.756 0.03 . 2 . . . . 74 ILE HG13 . 11077 1 786 . 1 1 74 74 ILE HG21 H 1 0.883 0.03 . 1 . . . . 74 ILE QG2 . 11077 1 787 . 1 1 74 74 ILE HG22 H 1 0.883 0.03 . 1 . . . . 74 ILE QG2 . 11077 1 788 . 1 1 74 74 ILE HG23 H 1 0.883 0.03 . 1 . . . . 74 ILE QG2 . 11077 1 789 . 1 1 74 74 ILE CA C 13 63.902 0.3 . 1 . . . . 74 ILE CA . 11077 1 790 . 1 1 74 74 ILE CB C 13 37.01 0.3 . 1 . . . . 74 ILE CB . 11077 1 791 . 1 1 74 74 ILE CD1 C 13 13.431 0.3 . 1 . . . . 74 ILE CD1 . 11077 1 792 . 1 1 74 74 ILE CG1 C 13 28.883 0.3 . 1 . . . . 74 ILE CG1 . 11077 1 793 . 1 1 74 74 ILE CG2 C 13 17.965 0.3 . 1 . . . . 74 ILE CG2 . 11077 1 794 . 1 1 74 74 ILE N N 15 119.834 0.3 . 1 . . . . 74 ILE N . 11077 1 795 . 1 1 75 75 ASP H H 1 8.468 0.03 . 1 . . . . 75 ASP H . 11077 1 796 . 1 1 75 75 ASP HA H 1 4.282 0.03 . 1 . . . . 75 ASP HA . 11077 1 797 . 1 1 75 75 ASP HB2 H 1 2.72 0.03 . 2 . . . . 75 ASP HB2 . 11077 1 798 . 1 1 75 75 ASP HB3 H 1 2.6 0.03 . 2 . . . . 75 ASP HB3 . 11077 1 799 . 1 1 75 75 ASP CA C 13 58.107 0.3 . 1 . . . . 75 ASP CA . 11077 1 800 . 1 1 75 75 ASP CB C 13 40.628 0.3 . 1 . . . . 75 ASP CB . 11077 1 801 . 1 1 75 75 ASP N N 15 122.091 0.3 . 1 . . . . 75 ASP N . 11077 1 802 . 1 1 76 76 GLY H H 1 8.041 0.03 . 1 . . . . 76 GLY H . 11077 1 803 . 1 1 76 76 GLY HA2 H 1 3.845 0.03 . 2 . . . . 76 GLY HA2 . 11077 1 804 . 1 1 76 76 GLY HA3 H 1 3.863 0.03 . 2 . . . . 76 GLY HA3 . 11077 1 805 . 1 1 76 76 GLY CA C 13 46.668 0.3 . 1 . . . . 76 GLY CA . 11077 1 806 . 1 1 76 76 GLY N N 15 108.081 0.3 . 1 . . . . 76 GLY N . 11077 1 807 . 1 1 77 77 LEU H H 1 8.088 0.03 . 1 . . . . 77 LEU H . 11077 1 808 . 1 1 77 77 LEU HA H 1 3.709 0.03 . 1 . . . . 77 LEU HA . 11077 1 809 . 1 1 77 77 LEU HB2 H 1 1.629 0.03 . 2 . . . . 77 LEU HB2 . 11077 1 810 . 1 1 77 77 LEU HB3 H 1 2.171 0.03 . 2 . . . . 77 LEU HB3 . 11077 1 811 . 1 1 77 77 LEU HD11 H 1 0.862 0.03 . 2 . . . . 77 LEU QD1 . 11077 1 812 . 1 1 77 77 LEU HD12 H 1 0.862 0.03 . 2 . . . . 77 LEU QD1 . 11077 1 813 . 1 1 77 77 LEU HD13 H 1 0.862 0.03 . 2 . . . . 77 LEU QD1 . 11077 1 814 . 1 1 77 77 LEU HD21 H 1 0.767 0.03 . 2 . . . . 77 LEU QD2 . 11077 1 815 . 1 1 77 77 LEU HD22 H 1 0.767 0.03 . 2 . . . . 77 LEU QD2 . 11077 1 816 . 1 1 77 77 LEU HD23 H 1 0.767 0.03 . 2 . . . . 77 LEU QD2 . 11077 1 817 . 1 1 77 77 LEU HG H 1 1.343 0.03 . 1 . . . . 77 LEU HG . 11077 1 818 . 1 1 77 77 LEU CA C 13 57.865 0.3 . 1 . . . . 77 LEU CA . 11077 1 819 . 1 1 77 77 LEU CB C 13 41.828 0.3 . 1 . . . . 77 LEU CB . 11077 1 820 . 1 1 77 77 LEU CD1 C 13 23.376 0.3 . 2 . . . . 77 LEU CD1 . 11077 1 821 . 1 1 77 77 LEU CD2 C 13 25.717 0.3 . 2 . . . . 77 LEU CD2 . 11077 1 822 . 1 1 77 77 LEU CG C 13 26.396 0.3 . 1 . . . . 77 LEU CG . 11077 1 823 . 1 1 77 77 LEU N N 15 126.711 0.3 . 1 . . . . 77 LEU N . 11077 1 824 . 1 1 78 78 ILE H H 1 8.155 0.03 . 1 . . . . 78 ILE H . 11077 1 825 . 1 1 78 78 ILE HA H 1 3.316 0.03 . 1 . . . . 78 ILE HA . 11077 1 826 . 1 1 78 78 ILE HB H 1 2.031 0.03 . 1 . . . . 78 ILE HB . 11077 1 827 . 1 1 78 78 ILE HD11 H 1 -0.149 0.03 . 1 . . . . 78 ILE QD1 . 11077 1 828 . 1 1 78 78 ILE HD12 H 1 -0.149 0.03 . 1 . . . . 78 ILE QD1 . 11077 1 829 . 1 1 78 78 ILE HD13 H 1 -0.149 0.03 . 1 . . . . 78 ILE QD1 . 11077 1 830 . 1 1 78 78 ILE HG12 H 1 0.94 0.03 . 2 . . . . 78 ILE HG12 . 11077 1 831 . 1 1 78 78 ILE HG13 H 1 1.404 0.03 . 2 . . . . 78 ILE HG13 . 11077 1 832 . 1 1 78 78 ILE HG21 H 1 0.667 0.03 . 1 . . . . 78 ILE QG2 . 11077 1 833 . 1 1 78 78 ILE HG22 H 1 0.667 0.03 . 1 . . . . 78 ILE QG2 . 11077 1 834 . 1 1 78 78 ILE HG23 H 1 0.667 0.03 . 1 . . . . 78 ILE QG2 . 11077 1 835 . 1 1 78 78 ILE CA C 13 62.813 0.3 . 1 . . . . 78 ILE CA . 11077 1 836 . 1 1 78 78 ILE CB C 13 34.81 0.3 . 1 . . . . 78 ILE CB . 11077 1 837 . 1 1 78 78 ILE CD1 C 13 8.883 0.3 . 1 . . . . 78 ILE CD1 . 11077 1 838 . 1 1 78 78 ILE CG1 C 13 27.485 0.3 . 1 . . . . 78 ILE CG1 . 11077 1 839 . 1 1 78 78 ILE CG2 C 13 17.14 0.3 . 1 . . . . 78 ILE CG2 . 11077 1 840 . 1 1 78 78 ILE N N 15 120.409 0.3 . 1 . . . . 78 ILE N . 11077 1 841 . 1 1 79 79 ASP H H 1 7.408 0.03 . 1 . . . . 79 ASP H . 11077 1 842 . 1 1 79 79 ASP HA H 1 4.274 0.03 . 1 . . . . 79 ASP HA . 11077 1 843 . 1 1 79 79 ASP HB2 H 1 2.63 0.03 . 2 . . . . 79 ASP HB2 . 11077 1 844 . 1 1 79 79 ASP HB3 H 1 2.661 0.03 . 2 . . . . 79 ASP HB3 . 11077 1 845 . 1 1 79 79 ASP CA C 13 57.605 0.3 . 1 . . . . 79 ASP CA . 11077 1 846 . 1 1 79 79 ASP CB C 13 41.017 0.3 . 1 . . . . 79 ASP CB . 11077 1 847 . 1 1 79 79 ASP N N 15 120.497 0.3 . 1 . . . . 79 ASP N . 11077 1 848 . 1 1 80 80 LYS H H 1 7.536 0.03 . 1 . . . . 80 LYS H . 11077 1 849 . 1 1 80 80 LYS HA H 1 3.931 0.03 . 1 . . . . 80 LYS HA . 11077 1 850 . 1 1 80 80 LYS HB2 H 1 1.801 0.03 . 2 . . . . 80 LYS HB2 . 11077 1 851 . 1 1 80 80 LYS HB3 H 1 1.789 0.03 . 2 . . . . 80 LYS HB3 . 11077 1 852 . 1 1 80 80 LYS HD2 H 1 1.752 0.03 . 2 . . . . 80 LYS HD2 . 11077 1 853 . 1 1 80 80 LYS HD3 H 1 1.66 0.03 . 2 . . . . 80 LYS HD3 . 11077 1 854 . 1 1 80 80 LYS HE2 H 1 3.031 0.03 . 2 . . . . 80 LYS HE2 . 11077 1 855 . 1 1 80 80 LYS HE3 H 1 3.031 0.03 . 2 . . . . 80 LYS HE3 . 11077 1 856 . 1 1 80 80 LYS HG2 H 1 1.432 0.03 . 2 . . . . 80 LYS HG2 . 11077 1 857 . 1 1 80 80 LYS HG3 H 1 1.701 0.03 . 2 . . . . 80 LYS HG3 . 11077 1 858 . 1 1 80 80 LYS CA C 13 59.952 0.3 . 1 . . . . 80 LYS CA . 11077 1 859 . 1 1 80 80 LYS CB C 13 33.221 0.3 . 1 . . . . 80 LYS CB . 11077 1 860 . 1 1 80 80 LYS CD C 13 30.015 0.3 . 1 . . . . 80 LYS CD . 11077 1 861 . 1 1 80 80 LYS CE C 13 42.301 0.3 . 1 . . . . 80 LYS CE . 11077 1 862 . 1 1 80 80 LYS CG C 13 26.034 0.3 . 1 . . . . 80 LYS CG . 11077 1 863 . 1 1 80 80 LYS N N 15 119.684 0.3 . 1 . . . . 80 LYS N . 11077 1 864 . 1 1 81 81 LEU H H 1 8.473 0.03 . 1 . . . . 81 LEU H . 11077 1 865 . 1 1 81 81 LEU HA H 1 3.765 0.03 . 1 . . . . 81 LEU HA . 11077 1 866 . 1 1 81 81 LEU HB2 H 1 1.911 0.03 . 2 . . . . 81 LEU HB2 . 11077 1 867 . 1 1 81 81 LEU HB3 H 1 0.993 0.03 . 2 . . . . 81 LEU HB3 . 11077 1 868 . 1 1 81 81 LEU HD11 H 1 0.626 0.03 . 2 . . . . 81 LEU QD1 . 11077 1 869 . 1 1 81 81 LEU HD12 H 1 0.626 0.03 . 2 . . . . 81 LEU QD1 . 11077 1 870 . 1 1 81 81 LEU HD13 H 1 0.626 0.03 . 2 . . . . 81 LEU QD1 . 11077 1 871 . 1 1 81 81 LEU HD21 H 1 0.669 0.03 . 2 . . . . 81 LEU QD2 . 11077 1 872 . 1 1 81 81 LEU HD22 H 1 0.669 0.03 . 2 . . . . 81 LEU QD2 . 11077 1 873 . 1 1 81 81 LEU HD23 H 1 0.669 0.03 . 2 . . . . 81 LEU QD2 . 11077 1 874 . 1 1 81 81 LEU HG H 1 1.703 0.03 . 1 . . . . 81 LEU HG . 11077 1 875 . 1 1 81 81 LEU CA C 13 57.564 0.3 . 1 . . . . 81 LEU CA . 11077 1 876 . 1 1 81 81 LEU CB C 13 42.473 0.3 . 1 . . . . 81 LEU CB . 11077 1 877 . 1 1 81 81 LEU CD1 C 13 23.349 0.3 . 2 . . . . 81 LEU CD1 . 11077 1 878 . 1 1 81 81 LEU CD2 C 13 26.869 0.3 . 2 . . . . 81 LEU CD2 . 11077 1 879 . 1 1 81 81 LEU CG C 13 26.124 0.3 . 1 . . . . 81 LEU CG . 11077 1 880 . 1 1 81 81 LEU N N 15 121.519 0.3 . 1 . . . . 81 LEU N . 11077 1 881 . 1 1 82 82 ALA H H 1 8.682 0.03 . 1 . . . . 82 ALA H . 11077 1 882 . 1 1 82 82 ALA HA H 1 3.479 0.03 . 1 . . . . 82 ALA HA . 11077 1 883 . 1 1 82 82 ALA HB1 H 1 1.07 0.03 . 1 . . . . 82 ALA QB . 11077 1 884 . 1 1 82 82 ALA HB2 H 1 1.07 0.03 . 1 . . . . 82 ALA QB . 11077 1 885 . 1 1 82 82 ALA HB3 H 1 1.07 0.03 . 1 . . . . 82 ALA QB . 11077 1 886 . 1 1 82 82 ALA CA C 13 55.731 0.3 . 1 . . . . 82 ALA CA . 11077 1 887 . 1 1 82 82 ALA CB C 13 17.388 0.3 . 1 . . . . 82 ALA CB . 11077 1 888 . 1 1 82 82 ALA N N 15 123.814 0.3 . 1 . . . . 82 ALA N . 11077 1 889 . 1 1 83 83 ARG H H 1 7.329 0.03 . 1 . . . . 83 ARG H . 11077 1 890 . 1 1 83 83 ARG HA H 1 3.981 0.03 . 1 . . . . 83 ARG HA . 11077 1 891 . 1 1 83 83 ARG HB2 H 1 1.869 0.03 . 2 . . . . 83 ARG HB2 . 11077 1 892 . 1 1 83 83 ARG HB3 H 1 1.869 0.03 . 2 . . . . 83 ARG HB3 . 11077 1 893 . 1 1 83 83 ARG HD2 H 1 3.105 0.03 . 2 . . . . 83 ARG HD2 . 11077 1 894 . 1 1 83 83 ARG HD3 H 1 3.198 0.03 . 2 . . . . 83 ARG HD3 . 11077 1 895 . 1 1 83 83 ARG HG2 H 1 1.613 0.03 . 2 . . . . 83 ARG HG2 . 11077 1 896 . 1 1 83 83 ARG HG3 H 1 1.782 0.03 . 2 . . . . 83 ARG HG3 . 11077 1 897 . 1 1 83 83 ARG CA C 13 59.137 0.3 . 1 . . . . 83 ARG CA . 11077 1 898 . 1 1 83 83 ARG CB C 13 29.971 0.3 . 1 . . . . 83 ARG CB . 11077 1 899 . 1 1 83 83 ARG CD C 13 43.315 0.3 . 1 . . . . 83 ARG CD . 11077 1 900 . 1 1 83 83 ARG CG C 13 27.788 0.3 . 1 . . . . 83 ARG CG . 11077 1 901 . 1 1 83 83 ARG N N 15 118.219 0.3 . 1 . . . . 83 ARG N . 11077 1 902 . 1 1 84 84 GLN H H 1 7.75 0.03 . 1 . . . . 84 GLN H . 11077 1 903 . 1 1 84 84 GLN HA H 1 4.047 0.03 . 1 . . . . 84 GLN HA . 11077 1 904 . 1 1 84 84 GLN HG2 H 1 2.453 0.03 . 2 . . . . 84 GLN HG2 . 11077 1 905 . 1 1 84 84 GLN HG3 H 1 2.415 0.03 . 2 . . . . 84 GLN HG3 . 11077 1 906 . 1 1 84 84 GLN CA C 13 58.685 0.3 . 1 . . . . 84 GLN CA . 11077 1 907 . 1 1 84 84 GLN CB C 13 29.903 0.3 . 1 . . . . 84 GLN CB . 11077 1 908 . 1 1 84 84 GLN CG C 13 34.449 0.3 . 1 . . . . 84 GLN CG . 11077 1 909 . 1 1 84 84 GLN N N 15 119.887 0.3 . 1 . . . . 84 GLN N . 11077 1 910 . 1 1 85 85 LEU H H 1 8.61 0.03 . 1 . . . . 85 LEU H . 11077 1 911 . 1 1 85 85 LEU HA H 1 3.788 0.03 . 1 . . . . 85 LEU HA . 11077 1 912 . 1 1 85 85 LEU HB2 H 1 0.83 0.03 . 2 . . . . 85 LEU HB2 . 11077 1 913 . 1 1 85 85 LEU HB3 H 1 1.453 0.03 . 2 . . . . 85 LEU HB3 . 11077 1 914 . 1 1 85 85 LEU HD11 H 1 0.513 0.03 . 2 . . . . 85 LEU QD1 . 11077 1 915 . 1 1 85 85 LEU HD12 H 1 0.513 0.03 . 2 . . . . 85 LEU QD1 . 11077 1 916 . 1 1 85 85 LEU HD13 H 1 0.513 0.03 . 2 . . . . 85 LEU QD1 . 11077 1 917 . 1 1 85 85 LEU HD21 H 1 0.596 0.03 . 2 . . . . 85 LEU QD2 . 11077 1 918 . 1 1 85 85 LEU HD22 H 1 0.596 0.03 . 2 . . . . 85 LEU QD2 . 11077 1 919 . 1 1 85 85 LEU HD23 H 1 0.596 0.03 . 2 . . . . 85 LEU QD2 . 11077 1 920 . 1 1 85 85 LEU CA C 13 57.6 0.3 . 1 . . . . 85 LEU CA . 11077 1 921 . 1 1 85 85 LEU CB C 13 41.178 0.3 . 1 . . . . 85 LEU CB . 11077 1 922 . 1 1 85 85 LEU CD1 C 13 23.005 0.3 . 2 . . . . 85 LEU CD1 . 11077 1 923 . 1 1 85 85 LEU CD2 C 13 26.489 0.3 . 2 . . . . 85 LEU CD2 . 11077 1 924 . 1 1 85 85 LEU CG C 13 26.883 0.3 . 1 . . . . 85 LEU CG . 11077 1 925 . 1 1 85 85 LEU N N 15 122.951 0.3 . 1 . . . . 85 LEU N . 11077 1 926 . 1 1 86 86 THR H H 1 7.709 0.03 . 1 . . . . 86 THR H . 11077 1 927 . 1 1 86 86 THR HA H 1 4.056 0.03 . 1 . . . . 86 THR HA . 11077 1 928 . 1 1 86 86 THR HB H 1 4.237 0.03 . 1 . . . . 86 THR HB . 11077 1 929 . 1 1 86 86 THR HG21 H 1 1.249 0.03 . 1 . . . . 86 THR QG2 . 11077 1 930 . 1 1 86 86 THR HG22 H 1 1.249 0.03 . 1 . . . . 86 THR QG2 . 11077 1 931 . 1 1 86 86 THR HG23 H 1 1.249 0.03 . 1 . . . . 86 THR QG2 . 11077 1 932 . 1 1 86 86 THR CA C 13 65.924 0.3 . 1 . . . . 86 THR CA . 11077 1 933 . 1 1 86 86 THR CB C 13 68.87 0.3 . 1 . . . . 86 THR CB . 11077 1 934 . 1 1 86 86 THR CG2 C 13 21.442 0.3 . 1 . . . . 86 THR CG2 . 11077 1 935 . 1 1 86 86 THR N N 15 116.282 0.3 . 1 . . . . 86 THR N . 11077 1 936 . 1 1 87 87 LYS H H 1 7.457 0.03 . 1 . . . . 87 LYS H . 11077 1 937 . 1 1 87 87 LYS HA H 1 4.102 0.03 . 1 . . . . 87 LYS HA . 11077 1 938 . 1 1 87 87 LYS HB2 H 1 1.797 0.03 . 2 . . . . 87 LYS HB2 . 11077 1 939 . 1 1 87 87 LYS HB3 H 1 1.797 0.03 . 2 . . . . 87 LYS HB3 . 11077 1 940 . 1 1 87 87 LYS HD2 H 1 1.606 0.03 . 2 . . . . 87 LYS HD2 . 11077 1 941 . 1 1 87 87 LYS HD3 H 1 1.623 0.03 . 2 . . . . 87 LYS HD3 . 11077 1 942 . 1 1 87 87 LYS HE2 H 1 2.906 0.03 . 2 . . . . 87 LYS HE2 . 11077 1 943 . 1 1 87 87 LYS HE3 H 1 2.906 0.03 . 2 . . . . 87 LYS HE3 . 11077 1 944 . 1 1 87 87 LYS HG2 H 1 1.459 0.03 . 2 . . . . 87 LYS HG2 . 11077 1 945 . 1 1 87 87 LYS HG3 H 1 1.339 0.03 . 2 . . . . 87 LYS HG3 . 11077 1 946 . 1 1 87 87 LYS CA C 13 58.289 0.3 . 1 . . . . 87 LYS CA . 11077 1 947 . 1 1 87 87 LYS CB C 13 32.293 0.3 . 1 . . . . 87 LYS CB . 11077 1 948 . 1 1 87 87 LYS CD C 13 29.108 0.3 . 1 . . . . 87 LYS CD . 11077 1 949 . 1 1 87 87 LYS CE C 13 42.526 0.3 . 1 . . . . 87 LYS CE . 11077 1 950 . 1 1 87 87 LYS CG C 13 24.787 0.3 . 1 . . . . 87 LYS CG . 11077 1 951 . 1 1 87 87 LYS N N 15 122.67 0.3 . 1 . . . . 87 LYS N . 11077 1 952 . 1 1 88 88 HIS H H 1 7.928 0.03 . 1 . . . . 88 HIS H . 11077 1 953 . 1 1 88 88 HIS HA H 1 4.301 0.03 . 1 . . . . 88 HIS HA . 11077 1 954 . 1 1 88 88 HIS HB2 H 1 3.073 0.03 . 2 . . . . 88 HIS HB2 . 11077 1 955 . 1 1 88 88 HIS HB3 H 1 2.914 0.03 . 2 . . . . 88 HIS HB3 . 11077 1 956 . 1 1 88 88 HIS HD2 H 1 6.393 0.03 . 1 . . . . 88 HIS HD2 . 11077 1 957 . 1 1 88 88 HIS CA C 13 58.361 0.3 . 1 . . . . 88 HIS CA . 11077 1 958 . 1 1 88 88 HIS CB C 13 30.766 0.3 . 1 . . . . 88 HIS CB . 11077 1 959 . 1 1 88 88 HIS CD2 C 13 118.196 0.3 . 1 . . . . 88 HIS CD2 . 11077 1 960 . 1 1 88 88 HIS N N 15 121.382 0.3 . 1 . . . . 88 HIS N . 11077 1 961 . 1 1 89 89 LYS H H 1 7.928 0.03 . 1 . . . . 89 LYS H . 11077 1 962 . 1 1 89 89 LYS HA H 1 3.934 0.03 . 1 . . . . 89 LYS HA . 11077 1 963 . 1 1 89 89 LYS HB2 H 1 1.95 0.03 . 2 . . . . 89 LYS HB2 . 11077 1 964 . 1 1 89 89 LYS HB3 H 1 1.95 0.03 . 2 . . . . 89 LYS HB3 . 11077 1 965 . 1 1 89 89 LYS HD2 H 1 1.77 0.03 . 2 . . . . 89 LYS HD2 . 11077 1 966 . 1 1 89 89 LYS HD3 H 1 1.77 0.03 . 2 . . . . 89 LYS HD3 . 11077 1 967 . 1 1 89 89 LYS HE2 H 1 3.009 0.03 . 2 . . . . 89 LYS HE2 . 11077 1 968 . 1 1 89 89 LYS HE3 H 1 3.009 0.03 . 2 . . . . 89 LYS HE3 . 11077 1 969 . 1 1 89 89 LYS HG2 H 1 1.463 0.03 . 2 . . . . 89 LYS HG2 . 11077 1 970 . 1 1 89 89 LYS HG3 H 1 1.524 0.03 . 2 . . . . 89 LYS HG3 . 11077 1 971 . 1 1 89 89 LYS CA C 13 58.568 0.3 . 1 . . . . 89 LYS CA . 11077 1 972 . 1 1 89 89 LYS CB C 13 32.489 0.3 . 1 . . . . 89 LYS CB . 11077 1 973 . 1 1 89 89 LYS CD C 13 29.331 0.3 . 1 . . . . 89 LYS CD . 11077 1 974 . 1 1 89 89 LYS CE C 13 42.111 0.3 . 1 . . . . 89 LYS CE . 11077 1 975 . 1 1 89 89 LYS CG C 13 24.694 0.3 . 1 . . . . 89 LYS CG . 11077 1 976 . 1 1 89 89 LYS N N 15 121.821 0.3 . 1 . . . . 89 LYS N . 11077 1 977 . 1 1 90 90 ASP H H 1 8.143 0.03 . 1 . . . . 90 ASP H . 11077 1 978 . 1 1 90 90 ASP HA H 1 4.445 0.03 . 1 . . . . 90 ASP HA . 11077 1 979 . 1 1 90 90 ASP HB2 H 1 2.643 0.03 . 2 . . . . 90 ASP HB2 . 11077 1 980 . 1 1 90 90 ASP HB3 H 1 2.66 0.03 . 2 . . . . 90 ASP HB3 . 11077 1 981 . 1 1 90 90 ASP CA C 13 55.869 0.3 . 1 . . . . 90 ASP CA . 11077 1 982 . 1 1 90 90 ASP CB C 13 40.715 0.3 . 1 . . . . 90 ASP CB . 11077 1 983 . 1 1 90 90 ASP N N 15 121.199 0.3 . 1 . . . . 90 ASP N . 11077 1 984 . 1 1 91 91 LYS H H 1 7.867 0.03 . 1 . . . . 91 LYS H . 11077 1 985 . 1 1 91 91 LYS HA H 1 4.13 0.03 . 1 . . . . 91 LYS HA . 11077 1 986 . 1 1 91 91 LYS HB2 H 1 1.799 0.03 . 2 . . . . 91 LYS HB2 . 11077 1 987 . 1 1 91 91 LYS HB3 H 1 1.799 0.03 . 2 . . . . 91 LYS HB3 . 11077 1 988 . 1 1 91 91 LYS HD2 H 1 1.596 0.03 . 2 . . . . 91 LYS HD2 . 11077 1 989 . 1 1 91 91 LYS HD3 H 1 1.596 0.03 . 2 . . . . 91 LYS HD3 . 11077 1 990 . 1 1 91 91 LYS HE2 H 1 2.907 0.03 . 2 . . . . 91 LYS HE2 . 11077 1 991 . 1 1 91 91 LYS HE3 H 1 2.907 0.03 . 2 . . . . 91 LYS HE3 . 11077 1 992 . 1 1 91 91 LYS HG2 H 1 1.368 0.03 . 2 . . . . 91 LYS HG2 . 11077 1 993 . 1 1 91 91 LYS HG3 H 1 1.435 0.03 . 2 . . . . 91 LYS HG3 . 11077 1 994 . 1 1 91 91 LYS CA C 13 57.421 0.3 . 1 . . . . 91 LYS CA . 11077 1 995 . 1 1 91 91 LYS CB C 13 32.365 0.3 . 1 . . . . 91 LYS CB . 11077 1 996 . 1 1 91 91 LYS CD C 13 29.139 0.3 . 1 . . . . 91 LYS CD . 11077 1 997 . 1 1 91 91 LYS CE C 13 41.979 0.3 . 1 . . . . 91 LYS CE . 11077 1 998 . 1 1 91 91 LYS CG C 13 24.91 0.3 . 1 . . . . 91 LYS CG . 11077 1 999 . 1 1 91 91 LYS N N 15 121.976 0.3 . 1 . . . . 91 LYS N . 11077 1 1000 . 1 1 92 92 LEU H H 1 7.709 0.03 . 1 . . . . 92 LEU H . 11077 1 1001 . 1 1 92 92 LEU HA H 1 4.171 0.03 . 1 . . . . 92 LEU HA . 11077 1 1002 . 1 1 92 92 LEU HB2 H 1 1.654 0.03 . 2 . . . . 92 LEU HB2 . 11077 1 1003 . 1 1 92 92 LEU HB3 H 1 1.514 0.03 . 2 . . . . 92 LEU HB3 . 11077 1 1004 . 1 1 92 92 LEU HD11 H 1 0.774 0.03 . 2 . . . . 92 LEU QD1 . 11077 1 1005 . 1 1 92 92 LEU HD12 H 1 0.774 0.03 . 2 . . . . 92 LEU QD1 . 11077 1 1006 . 1 1 92 92 LEU HD13 H 1 0.774 0.03 . 2 . . . . 92 LEU QD1 . 11077 1 1007 . 1 1 92 92 LEU HD21 H 1 0.811 0.03 . 2 . . . . 92 LEU QD2 . 11077 1 1008 . 1 1 92 92 LEU HD22 H 1 0.811 0.03 . 2 . . . . 92 LEU QD2 . 11077 1 1009 . 1 1 92 92 LEU HD23 H 1 0.811 0.03 . 2 . . . . 92 LEU QD2 . 11077 1 1010 . 1 1 92 92 LEU HG H 1 1.548 0.03 . 1 . . . . 92 LEU HG . 11077 1 1011 . 1 1 92 92 LEU CA C 13 55.449 0.3 . 1 . . . . 92 LEU CA . 11077 1 1012 . 1 1 92 92 LEU CB C 13 41.871 0.3 . 1 . . . . 92 LEU CB . 11077 1 1013 . 1 1 92 92 LEU CD1 C 13 23.074 0.3 . 2 . . . . 92 LEU CD1 . 11077 1 1014 . 1 1 92 92 LEU CD2 C 13 25.161 0.3 . 2 . . . . 92 LEU CD2 . 11077 1 1015 . 1 1 92 92 LEU CG C 13 26.667 0.3 . 1 . . . . 92 LEU CG . 11077 1 1016 . 1 1 92 92 LEU N N 15 121.802 0.3 . 1 . . . . 92 LEU N . 11077 1 1017 . 1 1 93 93 LYS H H 1 7.751 0.03 . 1 . . . . 93 LYS H . 11077 1 1018 . 1 1 93 93 LYS HA H 1 4.197 0.03 . 1 . . . . 93 LYS HA . 11077 1 1019 . 1 1 93 93 LYS HB2 H 1 1.768 0.03 . 2 . . . . 93 LYS HB2 . 11077 1 1020 . 1 1 93 93 LYS HB3 H 1 1.768 0.03 . 2 . . . . 93 LYS HB3 . 11077 1 1021 . 1 1 93 93 LYS HD2 H 1 1.63 0.03 . 2 . . . . 93 LYS HD2 . 11077 1 1022 . 1 1 93 93 LYS HD3 H 1 1.63 0.03 . 2 . . . . 93 LYS HD3 . 11077 1 1023 . 1 1 93 93 LYS HE2 H 1 2.926 0.03 . 2 . . . . 93 LYS HE2 . 11077 1 1024 . 1 1 93 93 LYS HE3 H 1 2.925 0.03 . 2 . . . . 93 LYS HE3 . 11077 1 1025 . 1 1 93 93 LYS HG2 H 1 1.373 0.03 . 2 . . . . 93 LYS HG2 . 11077 1 1026 . 1 1 93 93 LYS HG3 H 1 1.37 0.03 . 2 . . . . 93 LYS HG3 . 11077 1 1027 . 1 1 93 93 LYS CA C 13 56.42 0.3 . 1 . . . . 93 LYS CA . 11077 1 1028 . 1 1 93 93 LYS CB C 13 32.792 0.3 . 1 . . . . 93 LYS CB . 11077 1 1029 . 1 1 93 93 LYS CD C 13 29.163 0.3 . 1 . . . . 93 LYS CD . 11077 1 1030 . 1 1 93 93 LYS CE C 13 42.042 0.3 . 1 . . . . 93 LYS CE . 11077 1 1031 . 1 1 93 93 LYS CG C 13 24.693 0.3 . 1 . . . . 93 LYS CG . 11077 1 1032 . 1 1 93 93 LYS N N 15 121.954 0.3 . 1 . . . . 93 LYS N . 11077 1 1033 . 1 1 94 94 GLN H H 1 8.129 0.03 . 1 . . . . 94 GLN H . 11077 1 1034 . 1 1 94 94 GLN HA H 1 4.208 0.03 . 1 . . . . 94 GLN HA . 11077 1 1035 . 1 1 94 94 GLN HB2 H 1 1.876 0.03 . 2 . . . . 94 GLN HB2 . 11077 1 1036 . 1 1 94 94 GLN HB3 H 1 2.005 0.03 . 2 . . . . 94 GLN HB3 . 11077 1 1037 . 1 1 94 94 GLN HG2 H 1 2.264 0.03 . 2 . . . . 94 GLN HG2 . 11077 1 1038 . 1 1 94 94 GLN HG3 H 1 2.318 0.03 . 2 . . . . 94 GLN HG3 . 11077 1 1039 . 1 1 94 94 GLN CA C 13 55.891 0.3 . 1 . . . . 94 GLN CA . 11077 1 1040 . 1 1 94 94 GLN CB C 13 29.236 0.3 . 1 . . . . 94 GLN CB . 11077 1 1041 . 1 1 94 94 GLN CG C 13 33.762 0.3 . 1 . . . . 94 GLN CG . 11077 1 1042 . 1 1 94 94 GLN N N 15 123.165 0.3 . 1 . . . . 94 GLN N . 11077 1 1043 . 1 1 95 95 HIS H H 1 7.93 0.03 . 1 . . . . 95 HIS H . 11077 1 1044 . 1 1 95 95 HIS HA H 1 4.39 0.03 . 1 . . . . 95 HIS HA . 11077 1 1045 . 1 1 95 95 HIS CA C 13 57.156 0.3 . 1 . . . . 95 HIS CA . 11077 1 1046 . 1 1 95 95 HIS CB C 13 30.43 0.3 . 1 . . . . 95 HIS CB . 11077 1 1047 . 1 1 95 95 HIS N N 15 126.9 0.3 . 1 . . . . 95 HIS N . 11077 1 stop_ save_