data_6749 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6749 _Entry.Title ; Solution structure of the NRSF/REST-mSin3B PAH1 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-26 _Entry.Accession_date 2005-07-26 _Entry.Last_release_date 2005-12-13 _Entry.Original_release_date 2005-12-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yoshifumi Nishimura . . . 6749 2 Mitsuru Nomura . . . 6749 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Graduate School of Supramolecular Biology, Yokohama City University' . 6749 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6749 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 364 6749 '15N chemical shifts' 78 6749 '1H chemical shifts' 642 6749 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-12-13 2005-07-26 original author . 6749 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6749 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The Neural Repressor NRSF/REST Binds the PAH1 Domain of the Sin3 Corepressor by Using its Distinct Short Hydrophobic Helix. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 354 _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 903 _Citation.Page_last 915 _Citation.Year 2005 _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 Mitsuru Nomura . . . 6749 1 2 Hiroko Uda-Tochio . . . 6749 1 3 Kiyohito Murai . . . 6749 1 4 Nozomu Mori . . . 6749 1 5 Yoshifumi Nishimura . . . 6749 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NRSF 6749 1 PAH1 6749 1 Sin3 6749 1 'transcriptional repressor' 6749 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6749 _Assembly.ID 1 _Assembly.Name 'mSin3B PAH1 and NRSF/REST' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 'mSin3B PAH1' 1 $PAH1 . . yes native no no . . . 6749 1 2 NRSF/REST 2 $NRSF . . yes native no no . . . 6749 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PAH1 _Entity.Sf_category entity _Entity.Sf_framecode PAH1 _Entity.Entry_ID 6749 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'mSin3B PAH1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EKLPVHVEDALTYLDQVKIR FGSDPATYNGFLEIMKEFKS QSIDTPGVIRRVSQLFHEHP DLIVGFNAFLPLGYRIDIPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CZY . "Solution Structure Of The NrsfREST-Msin3b Pah1 Complex" . . . . . 100.00 15 100.00 100.00 4.76e+00 . . . . 6749 1 2 no DBJ BAB82460 . "neural-restrictive silencer factor nrsf/rest [Mus musculus]" . . . . . 100.00 1082 100.00 100.00 9.61e+00 . . . . 6749 1 3 no DBJ BAD92987 . "RE1-silencing transcription factor variant [Homo sapiens]" . . . . . 100.00 1126 100.00 100.00 7.65e+00 . . . . 6749 1 4 no DBJ BAE33741 . "unnamed protein product [Mus musculus]" . . . . . 100.00 519 100.00 100.00 4.47e+00 . . . . 6749 1 5 no DBJ BAG10902 . "RE1-silencing transcription factor [synthetic construct]" . . . . . 100.00 1097 100.00 100.00 7.55e+00 . . . . 6749 1 6 no GB AAA98503 . "X2 box repressor [Homo sapiens]" . . . . . 100.00 1088 100.00 100.00 6.56e+00 . . . . 6749 1 7 no GB AAB17211 . "REST protein [Homo sapiens]" . . . . . 100.00 1097 100.00 100.00 7.55e+00 . . . . 6749 1 8 no GB AAB94893 . "zinc finger transcription factor REST protein [Rattus norvegicus]" . . . . . 100.00 1069 100.00 100.00 8.74e+00 . . . . 6749 1 9 no GB AAB94894 . "zinc finger transcription factor REST protein [Rattus norvegicus]" . . . . . 100.00 302 100.00 100.00 3.54e+00 . . . . 6749 1 10 no GB AAC50114 . "neural-restrictive silencer factor, partial [Homo sapiens]" . . . . . 100.00 316 100.00 100.00 3.64e+00 . . . . 6749 1 11 no PRF 2106430A . "neuron-restrictive silencer factor" . . . . . 100.00 681 100.00 100.00 4.77e+00 . . . . 6749 1 12 no REF NP_001095350 . "RE1-silencing transcription factor [Bos taurus]" . . . . . 100.00 999 100.00 100.00 5.09e+00 . . . . 6749 1 13 no REF NP_001180437 . "RE1-silencing transcription factor [Homo sapiens]" . . . . . 100.00 1097 100.00 100.00 7.55e+00 . . . . 6749 1 14 no REF NP_005603 . "RE1-silencing transcription factor [Homo sapiens]" . . . . . 100.00 1097 100.00 100.00 7.55e+00 . . . . 6749 1 15 no REF NP_035393 . "RE1-silencing transcription factor [Mus musculus]" . . . . . 100.00 1082 100.00 100.00 9.89e+00 . . . . 6749 1 16 no REF NP_113976 . "RE1-silencing transcription factor [Rattus norvegicus]" . . . . . 100.00 1069 100.00 100.00 8.74e+00 . . . . 6749 1 17 no SP O54963 . "RecName: Full=RE1-silencing transcription factor; AltName: Full=Neural-restrictive silencer factor [Rattus norvegicus]" . . . . . 100.00 1069 100.00 100.00 8.74e+00 . . . . 6749 1 18 no SP Q13127 . "RecName: Full=RE1-silencing transcription factor; AltName: Full=Neural-restrictive silencer factor; AltName: Full=X2 box repres" . . . . . 100.00 1097 100.00 100.00 7.55e+00 . . . . 6749 1 19 no SP Q8VIG1 . "RecName: Full=RE1-silencing transcription factor; AltName: Full=Neural-restrictive silencer factor [Mus musculus]" . . . . . 100.00 1082 100.00 100.00 9.89e+00 . . . . 6749 1 20 no TPG DAA28644 . "TPA: hypothetical LOC615792 [Bos taurus]" . . . . . 100.00 1004 100.00 100.00 5.09e+00 . . . . 6749 1 21 no TPG DAA28661 . "TPA: hypothetical protein LOC507148 [Bos taurus]" . . . . . 100.00 999 100.00 100.00 5.09e+00 . . . . 6749 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 . GLU . 6749 1 2 . LYS . 6749 1 3 . LEU . 6749 1 4 . PRO . 6749 1 5 . VAL . 6749 1 6 . HIS . 6749 1 7 . VAL . 6749 1 8 . GLU . 6749 1 9 . ASP . 6749 1 10 . ALA . 6749 1 11 . LEU . 6749 1 12 . THR . 6749 1 13 . TYR . 6749 1 14 . LEU . 6749 1 15 . ASP . 6749 1 16 . GLN . 6749 1 17 . VAL . 6749 1 18 . LYS . 6749 1 19 . ILE . 6749 1 20 . ARG . 6749 1 21 . PHE . 6749 1 22 . GLY . 6749 1 23 . SER . 6749 1 24 . ASP . 6749 1 25 . PRO . 6749 1 26 . ALA . 6749 1 27 . THR . 6749 1 28 . TYR . 6749 1 29 . ASN . 6749 1 30 . GLY . 6749 1 31 . PHE . 6749 1 32 . LEU . 6749 1 33 . GLU . 6749 1 34 . ILE . 6749 1 35 . MET . 6749 1 36 . LYS . 6749 1 37 . GLU . 6749 1 38 . PHE . 6749 1 39 . LYS . 6749 1 40 . SER . 6749 1 41 . GLN . 6749 1 42 . SER . 6749 1 43 . ILE . 6749 1 44 . ASP . 6749 1 45 . THR . 6749 1 46 . PRO . 6749 1 47 . GLY . 6749 1 48 . VAL . 6749 1 49 . ILE . 6749 1 50 . ARG . 6749 1 51 . ARG . 6749 1 52 . VAL . 6749 1 53 . SER . 6749 1 54 . GLN . 6749 1 55 . LEU . 6749 1 56 . PHE . 6749 1 57 . HIS . 6749 1 58 . GLU . 6749 1 59 . HIS . 6749 1 60 . PRO . 6749 1 61 . ASP . 6749 1 62 . LEU . 6749 1 63 . ILE . 6749 1 64 . VAL . 6749 1 65 . GLY . 6749 1 66 . PHE . 6749 1 67 . ASN . 6749 1 68 . ALA . 6749 1 69 . PHE . 6749 1 70 . LEU . 6749 1 71 . PRO . 6749 1 72 . LEU . 6749 1 73 . GLY . 6749 1 74 . TYR . 6749 1 75 . ARG . 6749 1 76 . ILE . 6749 1 77 . ASP . 6749 1 78 . ILE . 6749 1 79 . PRO . 6749 1 80 . LYS . 6749 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 . GLU 1 1 6749 1 . LYS 2 2 6749 1 . LEU 3 3 6749 1 . PRO 4 4 6749 1 . VAL 5 5 6749 1 . HIS 6 6 6749 1 . VAL 7 7 6749 1 . GLU 8 8 6749 1 . ASP 9 9 6749 1 . ALA 10 10 6749 1 . LEU 11 11 6749 1 . THR 12 12 6749 1 . TYR 13 13 6749 1 . LEU 14 14 6749 1 . ASP 15 15 6749 1 . GLN 16 16 6749 1 . VAL 17 17 6749 1 . LYS 18 18 6749 1 . ILE 19 19 6749 1 . ARG 20 20 6749 1 . PHE 21 21 6749 1 . GLY 22 22 6749 1 . SER 23 23 6749 1 . ASP 24 24 6749 1 . PRO 25 25 6749 1 . ALA 26 26 6749 1 . THR 27 27 6749 1 . TYR 28 28 6749 1 . ASN 29 29 6749 1 . GLY 30 30 6749 1 . PHE 31 31 6749 1 . LEU 32 32 6749 1 . GLU 33 33 6749 1 . ILE 34 34 6749 1 . MET 35 35 6749 1 . LYS 36 36 6749 1 . GLU 37 37 6749 1 . PHE 38 38 6749 1 . LYS 39 39 6749 1 . SER 40 40 6749 1 . GLN 41 41 6749 1 . SER 42 42 6749 1 . ILE 43 43 6749 1 . ASP 44 44 6749 1 . THR 45 45 6749 1 . PRO 46 46 6749 1 . GLY 47 47 6749 1 . VAL 48 48 6749 1 . ILE 49 49 6749 1 . ARG 50 50 6749 1 . ARG 51 51 6749 1 . VAL 52 52 6749 1 . SER 53 53 6749 1 . GLN 54 54 6749 1 . LEU 55 55 6749 1 . PHE 56 56 6749 1 . HIS 57 57 6749 1 . GLU 58 58 6749 1 . HIS 59 59 6749 1 . PRO 60 60 6749 1 . ASP 61 61 6749 1 . LEU 62 62 6749 1 . ILE 63 63 6749 1 . VAL 64 64 6749 1 . GLY 65 65 6749 1 . PHE 66 66 6749 1 . ASN 67 67 6749 1 . ALA 68 68 6749 1 . PHE 69 69 6749 1 . LEU 70 70 6749 1 . PRO 71 71 6749 1 . LEU 72 72 6749 1 . GLY 73 73 6749 1 . TYR 74 74 6749 1 . ARG 75 75 6749 1 . ILE 76 76 6749 1 . ASP 77 77 6749 1 . ILE 78 78 6749 1 . PRO 79 79 6749 1 . LYS 80 80 6749 1 stop_ save_ save_NRSF _Entity.Sf_category entity _Entity.Sf_framecode NRSF _Entity.Entry_ID 6749 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NRSF/REST _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code APQLIMLANVALTGE _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ALA . 6749 2 2 . PRO . 6749 2 3 . GLN . 6749 2 4 . LEU . 6749 2 5 . ILE . 6749 2 6 . MET . 6749 2 7 . LEU . 6749 2 8 . ALA . 6749 2 9 . ASN . 6749 2 10 . VAL . 6749 2 11 . ALA . 6749 2 12 . LEU . 6749 2 13 . THR . 6749 2 14 . GLY . 6749 2 15 . GLU . 6749 2 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 . ALA 1 1 6749 2 . PRO 2 2 6749 2 . GLN 3 3 6749 2 . LEU 4 4 6749 2 . ILE 5 5 6749 2 . MET 6 6 6749 2 . LEU 7 7 6749 2 . ALA 8 8 6749 2 . ASN 9 9 6749 2 . VAL 10 10 6749 2 . ALA 11 11 6749 2 . LEU 12 12 6749 2 . THR 13 13 6749 2 . GLY 14 14 6749 2 . GLU 15 15 6749 2 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 6749 _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 $PAH1 . 10090 . no . Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6749 1 2 2 $NRSF . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6749 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 6749 _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 $PAH1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 2 2 $NRSF . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6749 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'mSin3B PAH1' '[U-13C; U-15N]' 1 $assembly 1 $PAH1 . . 0.8 . . mM . . . . 6749 1 2 NRSF/REST . 1 $assembly 2 $NRSF . . 0.8 . . mM . . . . 6749 1 3 'potassium phosphate buffer' . . . . . . . 20 . . mM . . . . 6749 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6749 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 pH 6749 1 temperature 293 0.2 K 6749 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6749 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2004 _Software.Details . save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6749 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . 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 6749 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6749 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 2 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 3 HN(CA)CO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 4 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 5 HN(CO)CA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 6 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 7 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 8 HBHA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 9 HN(CA)HA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 10 '1H-13C HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 11 HCCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 12 CCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 13 13C/15N-FILTERED-NOESY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 14 13C/15N-FILTERED-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6749 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6749 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 6749 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 6749 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 6749 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 6749 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_mSin3B_PAH1_NRSF _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode mSin3B_PAH1_NRSF _Assigned_chem_shift_list.Entry_ID 6749 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 $sample_1 isotropic 6749 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU H H 1 8.348 0.02 . 1 . . . . 1 GLU H . 6749 1 2 . 1 1 1 1 GLU HA H 1 4.262 0.02 . 1 . . . . 1 GLU HA . 6749 1 3 . 1 1 1 1 GLU HB2 H 1 1.945 0.02 . 2 . . . . 1 GLU HB2 . 6749 1 4 . 1 1 1 1 GLU HB3 H 1 2.034 0.02 . 2 . . . . 1 GLU HB3 . 6749 1 5 . 1 1 1 1 GLU HG3 H 1 2.268 0.02 . 2 . . . . 1 GLU HG3 . 6749 1 6 . 1 1 1 1 GLU C C 13 176 0.2 . 1 . . . . 1 GLU C . 6749 1 7 . 1 1 1 1 GLU CA C 13 56.451 0.2 . 1 . . . . 1 GLU CA . 6749 1 8 . 1 1 1 1 GLU CB C 13 30.455 0.2 . 1 . . . . 1 GLU CB . 6749 1 9 . 1 1 1 1 GLU CG C 13 36.244 0.2 . 1 . . . . 1 GLU CG . 6749 1 10 . 1 1 1 1 GLU N N 15 122.27 0.05 . 1 . . . . 1 GLU N . 6749 1 11 . 1 1 2 2 LYS H H 1 8.332 0.02 . 1 . . . . 2 LYS H . 6749 1 12 . 1 1 2 2 LYS HA H 1 4.349 0.02 . 1 . . . . 2 LYS HA . 6749 1 13 . 1 1 2 2 LYS HB2 H 1 1.834 0.02 . 2 . . . . 2 LYS HB2 . 6749 1 14 . 1 1 2 2 LYS HB3 H 1 1.733 0.02 . 2 . . . . 2 LYS HB3 . 6749 1 15 . 1 1 2 2 LYS HG3 H 1 1.428 0.02 . 2 . . . . 2 LYS HG3 . 6749 1 16 . 1 1 2 2 LYS HD3 H 1 1.682 0.02 . 2 . . . . 2 LYS HD3 . 6749 1 17 . 1 1 2 2 LYS HE3 H 1 2.999 0.02 . 2 . . . . 2 LYS HE3 . 6749 1 18 . 1 1 2 2 LYS C C 13 176.131 0.2 . 1 . . . . 2 LYS C . 6749 1 19 . 1 1 2 2 LYS CA C 13 55.698 0.2 . 1 . . . . 2 LYS CA . 6749 1 20 . 1 1 2 2 LYS CB C 13 32.991 0.2 . 1 . . . . 2 LYS CB . 6749 1 21 . 1 1 2 2 LYS CG C 13 24.653 0.2 . 1 . . . . 2 LYS CG . 6749 1 22 . 1 1 2 2 LYS CD C 13 28.939 0.2 . 1 . . . . 2 LYS CD . 6749 1 23 . 1 1 2 2 LYS CE C 13 41.86 0.2 . 1 . . . . 2 LYS CE . 6749 1 24 . 1 1 2 2 LYS N N 15 122.576 0.05 . 1 . . . . 2 LYS N . 6749 1 25 . 1 1 3 3 LEU H H 1 8.382 0.02 . 1 . . . . 3 LEU H . 6749 1 26 . 1 1 3 3 LEU HA H 1 4.598 0.02 . 1 . . . . 3 LEU HA . 6749 1 27 . 1 1 3 3 LEU HB2 H 1 1.52 0.02 . 2 . . . . 3 LEU HB2 . 6749 1 28 . 1 1 3 3 LEU HB3 H 1 1.617 0.02 . 2 . . . . 3 LEU HB3 . 6749 1 29 . 1 1 3 3 LEU HG H 1 1.698 0.02 . 1 . . . . 3 LEU HG . 6749 1 30 . 1 1 3 3 LEU HD11 H 1 0.938 0.02 . 1 . . . . 3 LEU HD1 . 6749 1 31 . 1 1 3 3 LEU HD12 H 1 0.938 0.02 . 1 . . . . 3 LEU HD1 . 6749 1 32 . 1 1 3 3 LEU HD13 H 1 0.938 0.02 . 1 . . . . 3 LEU HD1 . 6749 1 33 . 1 1 3 3 LEU HD21 H 1 0.916 0.02 . 1 . . . . 3 LEU HD2 . 6749 1 34 . 1 1 3 3 LEU HD22 H 1 0.916 0.02 . 1 . . . . 3 LEU HD2 . 6749 1 35 . 1 1 3 3 LEU HD23 H 1 0.916 0.02 . 1 . . . . 3 LEU HD2 . 6749 1 36 . 1 1 3 3 LEU C C 13 175.334 0.2 . 1 . . . . 3 LEU C . 6749 1 37 . 1 1 3 3 LEU CA C 13 53.036 0.2 . 1 . . . . 3 LEU CA . 6749 1 38 . 1 1 3 3 LEU CB C 13 41.6 0.2 . 1 . . . . 3 LEU CB . 6749 1 39 . 1 1 3 3 LEU CG C 13 27.099 0.2 . 1 . . . . 3 LEU CG . 6749 1 40 . 1 1 3 3 LEU CD1 C 13 25.264 0.2 . 1 . . . . 3 LEU CD1 . 6749 1 41 . 1 1 3 3 LEU CD2 C 13 23.231 0.2 . 1 . . . . 3 LEU CD2 . 6749 1 42 . 1 1 3 3 LEU N N 15 125.73 0.05 . 1 . . . . 3 LEU N . 6749 1 43 . 1 1 4 4 PRO HA H 1 4.448 0.02 . 1 . . . . 4 PRO HA . 6749 1 44 . 1 1 4 4 PRO HB2 H 1 1.781 0.02 . 2 . . . . 4 PRO HB2 . 6749 1 45 . 1 1 4 4 PRO HB3 H 1 2.235 0.02 . 2 . . . . 4 PRO HB3 . 6749 1 46 . 1 1 4 4 PRO HG2 H 1 2.028 0.02 . 2 . . . . 4 PRO HG2 . 6749 1 47 . 1 1 4 4 PRO HG3 H 1 2.072 0.02 . 2 . . . . 4 PRO HG3 . 6749 1 48 . 1 1 4 4 PRO HD2 H 1 3.668 0.02 . 2 . . . . 4 PRO HD2 . 6749 1 49 . 1 1 4 4 PRO HD3 H 1 3.966 0.02 . 2 . . . . 4 PRO HD3 . 6749 1 50 . 1 1 4 4 PRO C C 13 176.558 0.2 . 1 . . . . 4 PRO C . 6749 1 51 . 1 1 4 4 PRO CA C 13 62.984 0.2 . 1 . . . . 4 PRO CA . 6749 1 52 . 1 1 4 4 PRO CB C 13 32.061 0.2 . 1 . . . . 4 PRO CB . 6749 1 53 . 1 1 4 4 PRO CG C 13 27.427 0.2 . 1 . . . . 4 PRO CG . 6749 1 54 . 1 1 4 4 PRO CD C 13 51.186 0.2 . 1 . . . . 4 PRO CD . 6749 1 55 . 1 1 5 5 VAL H H 1 7.9 0.02 . 1 . . . . 5 VAL H . 6749 1 56 . 1 1 5 5 VAL HA H 1 4.177 0.02 . 1 . . . . 5 VAL HA . 6749 1 57 . 1 1 5 5 VAL HB H 1 1.944 0.02 . 1 . . . . 5 VAL HB . 6749 1 58 . 1 1 5 5 VAL HG11 H 1 0.714 0.02 . 1 . . . . 5 VAL HG1 . 6749 1 59 . 1 1 5 5 VAL HG12 H 1 0.714 0.02 . 1 . . . . 5 VAL HG1 . 6749 1 60 . 1 1 5 5 VAL HG13 H 1 0.714 0.02 . 1 . . . . 5 VAL HG1 . 6749 1 61 . 1 1 5 5 VAL HG21 H 1 0.752 0.02 . 1 . . . . 5 VAL HG2 . 6749 1 62 . 1 1 5 5 VAL HG22 H 1 0.752 0.02 . 1 . . . . 5 VAL HG2 . 6749 1 63 . 1 1 5 5 VAL HG23 H 1 0.752 0.02 . 1 . . . . 5 VAL HG2 . 6749 1 64 . 1 1 5 5 VAL C C 13 175.327 0.2 . 1 . . . . 5 VAL C . 6749 1 65 . 1 1 5 5 VAL CA C 13 61.777 0.2 . 1 . . . . 5 VAL CA . 6749 1 66 . 1 1 5 5 VAL CB C 13 33.455 0.2 . 1 . . . . 5 VAL CB . 6749 1 67 . 1 1 5 5 VAL CG1 C 13 21.686 0.2 . 1 . . . . 5 VAL CG1 . 6749 1 68 . 1 1 5 5 VAL CG2 C 13 19.979 0.2 . 1 . . . . 5 VAL CG2 . 6749 1 69 . 1 1 5 5 VAL N N 15 117.879 0.05 . 1 . . . . 5 VAL N . 6749 1 70 . 1 1 6 6 HIS H H 1 8.931 0.02 . 1 . . . . 6 HIS H . 6749 1 71 . 1 1 6 6 HIS HA H 1 4.975 0.02 . 1 . . . . 6 HIS HA . 6749 1 72 . 1 1 6 6 HIS HB2 H 1 3.148 0.02 . 2 . . . . 6 HIS HB2 . 6749 1 73 . 1 1 6 6 HIS HB3 H 1 3.495 0.02 . 2 . . . . 6 HIS HB3 . 6749 1 74 . 1 1 6 6 HIS HD2 H 1 7.179 0.02 . 1 . . . . 6 HIS HD2 . 6749 1 75 . 1 1 6 6 HIS HE1 H 1 7.96 0.02 . 1 . . . . 6 HIS HE1 . 6749 1 76 . 1 1 6 6 HIS C C 13 176.914 0.2 . 1 . . . . 6 HIS C . 6749 1 77 . 1 1 6 6 HIS CA C 13 55.695 0.2 . 1 . . . . 6 HIS CA . 6749 1 78 . 1 1 6 6 HIS CB C 13 32.321 0.2 . 1 . . . . 6 HIS CB . 6749 1 79 . 1 1 6 6 HIS CD2 C 13 120.32 0.2 . 1 . . . . 6 HIS CD2 . 6749 1 80 . 1 1 6 6 HIS CE1 C 13 138.008 0.2 . 1 . . . . 6 HIS CE1 . 6749 1 81 . 1 1 6 6 HIS N N 15 121.827 0.05 . 1 . . . . 6 HIS N . 6749 1 82 . 1 1 7 7 VAL H H 1 8.42 0.02 . 1 . . . . 7 VAL H . 6749 1 83 . 1 1 7 7 VAL HA H 1 4.049 0.02 . 1 . . . . 7 VAL HA . 6749 1 84 . 1 1 7 7 VAL HB H 1 2.177 0.02 . 1 . . . . 7 VAL HB . 6749 1 85 . 1 1 7 7 VAL HG11 H 1 1.036 0.02 . 1 . . . . 7 VAL HG1 . 6749 1 86 . 1 1 7 7 VAL HG12 H 1 1.036 0.02 . 1 . . . . 7 VAL HG1 . 6749 1 87 . 1 1 7 7 VAL HG13 H 1 1.036 0.02 . 1 . . . . 7 VAL HG1 . 6749 1 88 . 1 1 7 7 VAL HG21 H 1 1.074 0.02 . 1 . . . . 7 VAL HG2 . 6749 1 89 . 1 1 7 7 VAL HG22 H 1 1.074 0.02 . 1 . . . . 7 VAL HG2 . 6749 1 90 . 1 1 7 7 VAL HG23 H 1 1.074 0.02 . 1 . . . . 7 VAL HG2 . 6749 1 91 . 1 1 7 7 VAL C C 13 177.741 0.2 . 1 . . . . 7 VAL C . 6749 1 92 . 1 1 7 7 VAL CA C 13 66.197 0.2 . 1 . . . . 7 VAL CA . 6749 1 93 . 1 1 7 7 VAL CB C 13 31.906 0.2 . 1 . . . . 7 VAL CB . 6749 1 94 . 1 1 7 7 VAL CG1 C 13 20.895 0.2 . 1 . . . . 7 VAL CG1 . 6749 1 95 . 1 1 7 7 VAL CG2 C 13 22.05 0.2 . 1 . . . . 7 VAL CG2 . 6749 1 96 . 1 1 7 7 VAL N N 15 123.001 0.05 . 1 . . . . 7 VAL N . 6749 1 97 . 1 1 8 8 GLU H H 1 9.053 0.02 . 1 . . . . 8 GLU H . 6749 1 98 . 1 1 8 8 GLU HA H 1 4.116 0.02 . 1 . . . . 8 GLU HA . 6749 1 99 . 1 1 8 8 GLU HB3 H 1 2.095 0.02 . 2 . . . . 8 GLU HB3 . 6749 1 100 . 1 1 8 8 GLU HG2 H 1 2.345 0.02 . 2 . . . . 8 GLU HG2 . 6749 1 101 . 1 1 8 8 GLU HG3 H 1 2.411 0.02 . 2 . . . . 8 GLU HG3 . 6749 1 102 . 1 1 8 8 GLU C C 13 178.939 0.2 . 1 . . . . 8 GLU C . 6749 1 103 . 1 1 8 8 GLU CA C 13 60.233 0.2 . 1 . . . . 8 GLU CA . 6749 1 104 . 1 1 8 8 GLU CB C 13 28.864 0.2 . 1 . . . . 8 GLU CB . 6749 1 105 . 1 1 8 8 GLU CG C 13 36.722 0.2 . 1 . . . . 8 GLU CG . 6749 1 106 . 1 1 8 8 GLU N N 15 119.731 0.05 . 1 . . . . 8 GLU N . 6749 1 107 . 1 1 9 9 ASP H H 1 8.054 0.02 . 1 . . . . 9 ASP H . 6749 1 108 . 1 1 9 9 ASP HA H 1 4.621 0.02 . 1 . . . . 9 ASP HA . 6749 1 109 . 1 1 9 9 ASP HB3 H 1 2.847 0.02 . 2 . . . . 9 ASP HB3 . 6749 1 110 . 1 1 9 9 ASP C C 13 179.602 0.2 . 1 . . . . 9 ASP C . 6749 1 111 . 1 1 9 9 ASP CA C 13 57.11 0.2 . 1 . . . . 9 ASP CA . 6749 1 112 . 1 1 9 9 ASP CB C 13 40.809 0.2 . 1 . . . . 9 ASP CB . 6749 1 113 . 1 1 9 9 ASP N N 15 118.55 0.05 . 1 . . . . 9 ASP N . 6749 1 114 . 1 1 10 10 ALA H H 1 7.992 0.02 . 1 . . . . 10 ALA H . 6749 1 115 . 1 1 10 10 ALA HA H 1 4.367 0.02 . 1 . . . . 10 ALA HA . 6749 1 116 . 1 1 10 10 ALA HB1 H 1 1.628 0.02 . 1 . . . . 10 ALA HB . 6749 1 117 . 1 1 10 10 ALA HB2 H 1 1.628 0.02 . 1 . . . . 10 ALA HB . 6749 1 118 . 1 1 10 10 ALA HB3 H 1 1.628 0.02 . 1 . . . . 10 ALA HB . 6749 1 119 . 1 1 10 10 ALA C C 13 178.434 0.2 . 1 . . . . 10 ALA C . 6749 1 120 . 1 1 10 10 ALA CA C 13 55.447 0.2 . 1 . . . . 10 ALA CA . 6749 1 121 . 1 1 10 10 ALA CB C 13 18.706 0.2 . 1 . . . . 10 ALA CB . 6749 1 122 . 1 1 10 10 ALA N N 15 123.626 0.05 . 1 . . . . 10 ALA N . 6749 1 123 . 1 1 11 11 LEU H H 1 8.564 0.02 . 1 . . . . 11 LEU H . 6749 1 124 . 1 1 11 11 LEU HA H 1 4.035 0.02 . 1 . . . . 11 LEU HA . 6749 1 125 . 1 1 11 11 LEU HB2 H 1 1.608 0.02 . 2 . . . . 11 LEU HB2 . 6749 1 126 . 1 1 11 11 LEU HB3 H 1 2.025 0.02 . 2 . . . . 11 LEU HB3 . 6749 1 127 . 1 1 11 11 LEU HG H 1 1.794 0.02 . 1 . . . . 11 LEU HG . 6749 1 128 . 1 1 11 11 LEU HD11 H 1 0.955 0.02 . 1 . . . . 11 LEU HD1 . 6749 1 129 . 1 1 11 11 LEU HD12 H 1 0.955 0.02 . 1 . . . . 11 LEU HD1 . 6749 1 130 . 1 1 11 11 LEU HD13 H 1 0.955 0.02 . 1 . . . . 11 LEU HD1 . 6749 1 131 . 1 1 11 11 LEU HD21 H 1 0.892 0.02 . 1 . . . . 11 LEU HD2 . 6749 1 132 . 1 1 11 11 LEU HD22 H 1 0.892 0.02 . 1 . . . . 11 LEU HD2 . 6749 1 133 . 1 1 11 11 LEU HD23 H 1 0.892 0.02 . 1 . . . . 11 LEU HD2 . 6749 1 134 . 1 1 11 11 LEU C C 13 179.963 0.2 . 1 . . . . 11 LEU C . 6749 1 135 . 1 1 11 11 LEU CA C 13 58.474 0.2 . 1 . . . . 11 LEU CA . 6749 1 136 . 1 1 11 11 LEU CB C 13 41.601 0.2 . 1 . . . . 11 LEU CB . 6749 1 137 . 1 1 11 11 LEU CG C 13 27.018 0.2 . 1 . . . . 11 LEU CG . 6749 1 138 . 1 1 11 11 LEU CD1 C 13 25.822 0.2 . 1 . . . . 11 LEU CD1 . 6749 1 139 . 1 1 11 11 LEU CD2 C 13 23.312 0.2 . 1 . . . . 11 LEU CD2 . 6749 1 140 . 1 1 11 11 LEU N N 15 118.286 0.05 . 1 . . . . 11 LEU N . 6749 1 141 . 1 1 12 12 THR H H 1 8.33 0.02 . 1 . . . . 12 THR H . 6749 1 142 . 1 1 12 12 THR HA H 1 4.072 0.02 . 1 . . . . 12 THR HA . 6749 1 143 . 1 1 12 12 THR HB H 1 4.393 0.02 . 1 . . . . 12 THR HB . 6749 1 144 . 1 1 12 12 THR HG21 H 1 1.374 0.02 . 1 . . . . 12 THR HG2 . 6749 1 145 . 1 1 12 12 THR HG22 H 1 1.374 0.02 . 1 . . . . 12 THR HG2 . 6749 1 146 . 1 1 12 12 THR HG23 H 1 1.374 0.02 . 1 . . . . 12 THR HG2 . 6749 1 147 . 1 1 12 12 THR C C 13 176.727 0.2 . 1 . . . . 12 THR C . 6749 1 148 . 1 1 12 12 THR CA C 13 66.457 0.2 . 1 . . . . 12 THR CA . 6749 1 149 . 1 1 12 12 THR CB C 13 68.856 0.2 . 1 . . . . 12 THR CB . 6749 1 150 . 1 1 12 12 THR CG2 C 13 21.797 0.2 . 1 . . . . 12 THR CG2 . 6749 1 151 . 1 1 12 12 THR N N 15 116.031 0.05 . 1 . . . . 12 THR N . 6749 1 152 . 1 1 13 13 TYR H H 1 8.012 0.02 . 1 . . . . 13 TYR H . 6749 1 153 . 1 1 13 13 TYR HA H 1 4.434 0.02 . 1 . . . . 13 TYR HA . 6749 1 154 . 1 1 13 13 TYR HB2 H 1 3.054 0.02 . 2 . . . . 13 TYR HB2 . 6749 1 155 . 1 1 13 13 TYR HB3 H 1 3.537 0.02 . 2 . . . . 13 TYR HB3 . 6749 1 156 . 1 1 13 13 TYR HD1 H 1 7.065 0.02 . 3 . . . . 13 TYR HD1 . 6749 1 157 . 1 1 13 13 TYR HE1 H 1 6.798 0.02 . 3 . . . . 13 TYR HE1 . 6749 1 158 . 1 1 13 13 TYR C C 13 177.061 0.2 . 1 . . . . 13 TYR C . 6749 1 159 . 1 1 13 13 TYR CA C 13 61.887 0.2 . 1 . . . . 13 TYR CA . 6749 1 160 . 1 1 13 13 TYR CB C 13 38.901 0.2 . 1 . . . . 13 TYR CB . 6749 1 161 . 1 1 13 13 TYR CD1 C 13 132.383 0.2 . 3 . . . . 13 TYR CD1 . 6749 1 162 . 1 1 13 13 TYR CE1 C 13 118.106 0.2 . 3 . . . . 13 TYR CE1 . 6749 1 163 . 1 1 13 13 TYR N N 15 123.345 0.05 . 1 . . . . 13 TYR N . 6749 1 164 . 1 1 14 14 LEU H H 1 8.721 0.02 . 1 . . . . 14 LEU H . 6749 1 165 . 1 1 14 14 LEU HA H 1 3.786 0.02 . 1 . . . . 14 LEU HA . 6749 1 166 . 1 1 14 14 LEU HB2 H 1 1.75 0.02 . 2 . . . . 14 LEU HB2 . 6749 1 167 . 1 1 14 14 LEU HB3 H 1 1.949 0.02 . 2 . . . . 14 LEU HB3 . 6749 1 168 . 1 1 14 14 LEU HG H 1 2.051 0.02 . 1 . . . . 14 LEU HG . 6749 1 169 . 1 1 14 14 LEU HD11 H 1 1.046 0.02 . 1 . . . . 14 LEU HD1 . 6749 1 170 . 1 1 14 14 LEU HD12 H 1 1.046 0.02 . 1 . . . . 14 LEU HD1 . 6749 1 171 . 1 1 14 14 LEU HD13 H 1 1.046 0.02 . 1 . . . . 14 LEU HD1 . 6749 1 172 . 1 1 14 14 LEU HD21 H 1 1.157 0.02 . 1 . . . . 14 LEU HD2 . 6749 1 173 . 1 1 14 14 LEU HD22 H 1 1.157 0.02 . 1 . . . . 14 LEU HD2 . 6749 1 174 . 1 1 14 14 LEU HD23 H 1 1.157 0.02 . 1 . . . . 14 LEU HD2 . 6749 1 175 . 1 1 14 14 LEU C C 13 179.168 0.2 . 1 . . . . 14 LEU C . 6749 1 176 . 1 1 14 14 LEU CA C 13 57.805 0.2 . 1 . . . . 14 LEU CA . 6749 1 177 . 1 1 14 14 LEU CB C 13 41.071 0.2 . 1 . . . . 14 LEU CB . 6749 1 178 . 1 1 14 14 LEU CG C 13 26.936 0.2 . 1 . . . . 14 LEU CG . 6749 1 179 . 1 1 14 14 LEU CD1 C 13 25.519 0.2 . 1 . . . . 14 LEU CD1 . 6749 1 180 . 1 1 14 14 LEU CD2 C 13 23.639 0.2 . 1 . . . . 14 LEU CD2 . 6749 1 181 . 1 1 14 14 LEU N N 15 118.627 0.05 . 1 . . . . 14 LEU N . 6749 1 182 . 1 1 15 15 ASP H H 1 8.075 0.02 . 1 . . . . 15 ASP H . 6749 1 183 . 1 1 15 15 ASP HA H 1 4.43 0.02 . 1 . . . . 15 ASP HA . 6749 1 184 . 1 1 15 15 ASP HB2 H 1 2.645 0.02 . 2 . . . . 15 ASP HB2 . 6749 1 185 . 1 1 15 15 ASP HB3 H 1 2.834 0.02 . 2 . . . . 15 ASP HB3 . 6749 1 186 . 1 1 15 15 ASP C C 13 178.102 0.2 . 1 . . . . 15 ASP C . 6749 1 187 . 1 1 15 15 ASP CA C 13 57.511 0.2 . 1 . . . . 15 ASP CA . 6749 1 188 . 1 1 15 15 ASP CB C 13 40.792 0.2 . 1 . . . . 15 ASP CB . 6749 1 189 . 1 1 15 15 ASP N N 15 118.724 0.05 . 1 . . . . 15 ASP N . 6749 1 190 . 1 1 16 16 GLN H H 1 7.522 0.02 . 1 . . . . 16 GLN H . 6749 1 191 . 1 1 16 16 GLN HA H 1 3.844 0.02 . 1 . . . . 16 GLN HA . 6749 1 192 . 1 1 16 16 GLN HB2 H 1 1.899 0.02 . 2 . . . . 16 GLN HB2 . 6749 1 193 . 1 1 16 16 GLN HB3 H 1 2.268 0.02 . 2 . . . . 16 GLN HB3 . 6749 1 194 . 1 1 16 16 GLN HG2 H 1 2.33 0.02 . 2 . . . . 16 GLN HG2 . 6749 1 195 . 1 1 16 16 GLN HG3 H 1 2.516 0.02 . 2 . . . . 16 GLN HG3 . 6749 1 196 . 1 1 16 16 GLN HE21 H 1 7.281 0.02 . 2 . . . . 16 GLN HE21 . 6749 1 197 . 1 1 16 16 GLN HE22 H 1 6.865 0.02 . 2 . . . . 16 GLN HE22 . 6749 1 198 . 1 1 16 16 GLN C C 13 179.483 0.2 . 1 . . . . 16 GLN C . 6749 1 199 . 1 1 16 16 GLN CA C 13 58.88 0.2 . 1 . . . . 16 GLN CA . 6749 1 200 . 1 1 16 16 GLN CB C 13 27.906 0.2 . 1 . . . . 16 GLN CB . 6749 1 201 . 1 1 16 16 GLN CG C 13 34.013 0.2 . 1 . . . . 16 GLN CG . 6749 1 202 . 1 1 16 16 GLN N N 15 117.836 0.05 . 1 . . . . 16 GLN N . 6749 1 203 . 1 1 16 16 GLN NE2 N 15 111.486 0.05 . 1 . . . . 16 GLN NE2 . 6749 1 204 . 1 1 17 17 VAL H H 1 7.752 0.02 . 1 . . . . 17 VAL H . 6749 1 205 . 1 1 17 17 VAL HA H 1 3.073 0.02 . 1 . . . . 17 VAL HA . 6749 1 206 . 1 1 17 17 VAL HB H 1 2.109 0.02 . 1 . . . . 17 VAL HB . 6749 1 207 . 1 1 17 17 VAL HG11 H 1 0.848 0.02 . 1 . . . . 17 VAL HG1 . 6749 1 208 . 1 1 17 17 VAL HG12 H 1 0.848 0.02 . 1 . . . . 17 VAL HG1 . 6749 1 209 . 1 1 17 17 VAL HG13 H 1 0.848 0.02 . 1 . . . . 17 VAL HG1 . 6749 1 210 . 1 1 17 17 VAL HG21 H 1 0.283 0.02 . 1 . . . . 17 VAL HG2 . 6749 1 211 . 1 1 17 17 VAL HG22 H 1 0.283 0.02 . 1 . . . . 17 VAL HG2 . 6749 1 212 . 1 1 17 17 VAL HG23 H 1 0.283 0.02 . 1 . . . . 17 VAL HG2 . 6749 1 213 . 1 1 17 17 VAL C C 13 176.938 0.2 . 1 . . . . 17 VAL C . 6749 1 214 . 1 1 17 17 VAL CA C 13 66.616 0.2 . 1 . . . . 17 VAL CA . 6749 1 215 . 1 1 17 17 VAL CB C 13 32.024 0.2 . 1 . . . . 17 VAL CB . 6749 1 216 . 1 1 17 17 VAL CG1 C 13 22.204 0.2 . 1 . . . . 17 VAL CG1 . 6749 1 217 . 1 1 17 17 VAL CG2 C 13 22.508 0.2 . 1 . . . . 17 VAL CG2 . 6749 1 218 . 1 1 17 17 VAL N N 15 120.901 0.05 . 1 . . . . 17 VAL N . 6749 1 219 . 1 1 18 18 LYS H H 1 8.468 0.02 . 1 . . . . 18 LYS H . 6749 1 220 . 1 1 18 18 LYS HA H 1 3.388 0.02 . 1 . . . . 18 LYS HA . 6749 1 221 . 1 1 18 18 LYS HB3 H 1 1.679 0.02 . 2 . . . . 18 LYS HB3 . 6749 1 222 . 1 1 18 18 LYS HG2 H 1 0.867 0.02 . 2 . . . . 18 LYS HG2 . 6749 1 223 . 1 1 18 18 LYS HG3 H 1 1.1 0.02 . 2 . . . . 18 LYS HG3 . 6749 1 224 . 1 1 18 18 LYS HD3 H 1 1.52 0.02 . 2 . . . . 18 LYS HD3 . 6749 1 225 . 1 1 18 18 LYS HE3 H 1 2.816 0.02 . 2 . . . . 18 LYS HE3 . 6749 1 226 . 1 1 18 18 LYS C C 13 180.45 0.2 . 1 . . . . 18 LYS C . 6749 1 227 . 1 1 18 18 LYS CA C 13 60.012 0.2 . 1 . . . . 18 LYS CA . 6749 1 228 . 1 1 18 18 LYS CB C 13 32.599 0.2 . 1 . . . . 18 LYS CB . 6749 1 229 . 1 1 18 18 LYS CG C 13 25.569 0.2 . 1 . . . . 18 LYS CG . 6749 1 230 . 1 1 18 18 LYS CD C 13 29.5 0.2 . 1 . . . . 18 LYS CD . 6749 1 231 . 1 1 18 18 LYS CE C 13 41.752 0.2 . 1 . . . . 18 LYS CE . 6749 1 232 . 1 1 18 18 LYS N N 15 118.928 0.05 . 1 . . . . 18 LYS N . 6749 1 233 . 1 1 19 19 ILE H H 1 8.095 0.02 . 1 . . . . 19 ILE H . 6749 1 234 . 1 1 19 19 ILE HA H 1 3.673 0.02 . 1 . . . . 19 ILE HA . 6749 1 235 . 1 1 19 19 ILE HB H 1 1.712 0.02 . 1 . . . . 19 ILE HB . 6749 1 236 . 1 1 19 19 ILE HG12 H 1 1.123 0.02 . 2 . . . . 19 ILE HG12 . 6749 1 237 . 1 1 19 19 ILE HG13 H 1 1.616 0.02 . 2 . . . . 19 ILE HG13 . 6749 1 238 . 1 1 19 19 ILE HG21 H 1 0.837 0.02 . 1 . . . . 19 ILE HG2 . 6749 1 239 . 1 1 19 19 ILE HG22 H 1 0.837 0.02 . 1 . . . . 19 ILE HG2 . 6749 1 240 . 1 1 19 19 ILE HG23 H 1 0.837 0.02 . 1 . . . . 19 ILE HG2 . 6749 1 241 . 1 1 19 19 ILE HD11 H 1 0.759 0.02 . 1 . . . . 19 ILE HD1 . 6749 1 242 . 1 1 19 19 ILE HD12 H 1 0.759 0.02 . 1 . . . . 19 ILE HD1 . 6749 1 243 . 1 1 19 19 ILE HD13 H 1 0.759 0.02 . 1 . . . . 19 ILE HD1 . 6749 1 244 . 1 1 19 19 ILE C C 13 179.881 0.2 . 1 . . . . 19 ILE C . 6749 1 245 . 1 1 19 19 ILE CA C 13 63.784 0.2 . 1 . . . . 19 ILE CA . 6749 1 246 . 1 1 19 19 ILE CB C 13 38.051 0.2 . 1 . . . . 19 ILE CB . 6749 1 247 . 1 1 19 19 ILE CG1 C 13 29.253 0.2 . 1 . . . . 19 ILE CG1 . 6749 1 248 . 1 1 19 19 ILE CG2 C 13 17.118 0.2 . 1 . . . . 19 ILE CG2 . 6749 1 249 . 1 1 19 19 ILE CD1 C 13 12.876 0.2 . 1 . . . . 19 ILE CD1 . 6749 1 250 . 1 1 19 19 ILE N N 15 117.748 0.05 . 1 . . . . 19 ILE N . 6749 1 251 . 1 1 20 20 ARG H H 1 7.714 0.02 . 1 . . . . 20 ARG H . 6749 1 252 . 1 1 20 20 ARG HA H 1 3.778 0.02 . 1 . . . . 20 ARG HA . 6749 1 253 . 1 1 20 20 ARG HB3 H 1 1.46 0.02 . 2 . . . . 20 ARG HB3 . 6749 1 254 . 1 1 20 20 ARG HG3 H 1 0.997 0.02 . 2 . . . . 20 ARG HG3 . 6749 1 255 . 1 1 20 20 ARG HD3 H 1 3.013 0.02 . 2 . . . . 20 ARG HD3 . 6749 1 256 . 1 1 20 20 ARG C C 13 177.848 0.2 . 1 . . . . 20 ARG C . 6749 1 257 . 1 1 20 20 ARG CA C 13 56.126 0.2 . 1 . . . . 20 ARG CA . 6749 1 258 . 1 1 20 20 ARG CB C 13 27.005 0.2 . 1 . . . . 20 ARG CB . 6749 1 259 . 1 1 20 20 ARG CG C 13 27.096 0.2 . 1 . . . . 20 ARG CG . 6749 1 260 . 1 1 20 20 ARG CD C 13 41.835 0.2 . 1 . . . . 20 ARG CD . 6749 1 261 . 1 1 20 20 ARG N N 15 122.419 0.05 . 1 . . . . 20 ARG N . 6749 1 262 . 1 1 21 21 PHE H H 1 7.285 0.02 . 1 . . . . 21 PHE H . 6749 1 263 . 1 1 21 21 PHE HA H 1 4.899 0.02 . 1 . . . . 21 PHE HA . 6749 1 264 . 1 1 21 21 PHE HB2 H 1 2.472 0.02 . 2 . . . . 21 PHE HB2 . 6749 1 265 . 1 1 21 21 PHE HB3 H 1 4.033 0.02 . 2 . . . . 21 PHE HB3 . 6749 1 266 . 1 1 21 21 PHE HD1 H 1 7.317 0.02 . 3 . . . . 21 PHE HD1 . 6749 1 267 . 1 1 21 21 PHE HE1 H 1 6.858 0.02 . 3 . . . . 21 PHE HE1 . 6749 1 268 . 1 1 21 21 PHE HZ H 1 6.472 0.02 . 1 . . . . 21 PHE HZ . 6749 1 269 . 1 1 21 21 PHE C C 13 177.301 0.2 . 1 . . . . 21 PHE C . 6749 1 270 . 1 1 21 21 PHE CA C 13 57.342 0.2 . 1 . . . . 21 PHE CA . 6749 1 271 . 1 1 21 21 PHE CB C 13 38.25 0.2 . 1 . . . . 21 PHE CB . 6749 1 272 . 1 1 21 21 PHE CE1 C 13 131.7 0.2 . 3 . . . . 21 PHE CE1 . 6749 1 273 . 1 1 21 21 PHE CZ C 13 128.757 0.2 . 1 . . . . 21 PHE CZ . 6749 1 274 . 1 1 21 21 PHE N N 15 112.941 0.05 . 1 . . . . 21 PHE N . 6749 1 275 . 1 1 22 22 GLY H H 1 7.533 0.02 . 1 . . . . 22 GLY H . 6749 1 276 . 1 1 22 22 GLY HA2 H 1 3.82 0.02 . 2 . . . . 22 GLY HA2 . 6749 1 277 . 1 1 22 22 GLY HA3 H 1 4.011 0.02 . 2 . . . . 22 GLY HA3 . 6749 1 278 . 1 1 22 22 GLY C C 13 175.345 0.2 . 1 . . . . 22 GLY C . 6749 1 279 . 1 1 22 22 GLY CA C 13 47.792 0.2 . 1 . . . . 22 GLY CA . 6749 1 280 . 1 1 22 22 GLY N N 15 110.883 0.05 . 1 . . . . 22 GLY N . 6749 1 281 . 1 1 23 23 SER H H 1 8.53 0.02 . 1 . . . . 23 SER H . 6749 1 282 . 1 1 23 23 SER HA H 1 4.717 0.02 . 1 . . . . 23 SER HA . 6749 1 283 . 1 1 23 23 SER HB3 H 1 4.02 0.02 . 2 . . . . 23 SER HB3 . 6749 1 284 . 1 1 23 23 SER C C 13 173.389 0.2 . 1 . . . . 23 SER C . 6749 1 285 . 1 1 23 23 SER CA C 13 57.661 0.2 . 1 . . . . 23 SER CA . 6749 1 286 . 1 1 23 23 SER CB C 13 63.366 0.2 . 1 . . . . 23 SER CB . 6749 1 287 . 1 1 23 23 SER N N 15 113.173 0.05 . 1 . . . . 23 SER N . 6749 1 288 . 1 1 24 24 ASP H H 1 7.844 0.02 . 1 . . . . 24 ASP H . 6749 1 289 . 1 1 24 24 ASP HA H 1 5.224 0.02 . 1 . . . . 24 ASP HA . 6749 1 290 . 1 1 24 24 ASP HB3 H 1 2.752 0.02 . 2 . . . . 24 ASP HB3 . 6749 1 291 . 1 1 24 24 ASP C C 13 172.57 0.2 . 1 . . . . 24 ASP C . 6749 1 292 . 1 1 24 24 ASP CA C 13 51.433 0.2 . 1 . . . . 24 ASP CA . 6749 1 293 . 1 1 24 24 ASP CB C 13 41.816 0.2 . 1 . . . . 24 ASP CB . 6749 1 294 . 1 1 24 24 ASP N N 15 120.204 0.05 . 1 . . . . 24 ASP N . 6749 1 295 . 1 1 25 25 PRO HA H 1 4.595 0.02 . 1 . . . . 25 PRO HA . 6749 1 296 . 1 1 25 25 PRO HB2 H 1 2.144 0.02 . 2 . . . . 25 PRO HB2 . 6749 1 297 . 1 1 25 25 PRO HB3 H 1 2.47 0.02 . 2 . . . . 25 PRO HB3 . 6749 1 298 . 1 1 25 25 PRO HG3 H 1 2.132 0.02 . 2 . . . . 25 PRO HG3 . 6749 1 299 . 1 1 25 25 PRO HD2 H 1 3.558 0.02 . 2 . . . . 25 PRO HD2 . 6749 1 300 . 1 1 25 25 PRO HD3 H 1 3.993 0.02 . 2 . . . . 25 PRO HD3 . 6749 1 301 . 1 1 25 25 PRO C C 13 178.072 0.2 . 1 . . . . 25 PRO C . 6749 1 302 . 1 1 25 25 PRO CA C 13 64.627 0.2 . 1 . . . . 25 PRO CA . 6749 1 303 . 1 1 25 25 PRO CB C 13 31.66 0.2 . 1 . . . . 25 PRO CB . 6749 1 304 . 1 1 25 25 PRO CG C 13 27.225 0.2 . 1 . . . . 25 PRO CG . 6749 1 305 . 1 1 25 25 PRO CD C 13 50.605 0.2 . 1 . . . . 25 PRO CD . 6749 1 306 . 1 1 26 26 ALA H H 1 8.369 0.02 . 1 . . . . 26 ALA H . 6749 1 307 . 1 1 26 26 ALA HA H 1 4.255 0.02 . 1 . . . . 26 ALA HA . 6749 1 308 . 1 1 26 26 ALA HB1 H 1 1.527 0.02 . 1 . . . . 26 ALA HB . 6749 1 309 . 1 1 26 26 ALA HB2 H 1 1.527 0.02 . 1 . . . . 26 ALA HB . 6749 1 310 . 1 1 26 26 ALA HB3 H 1 1.527 0.02 . 1 . . . . 26 ALA HB . 6749 1 311 . 1 1 26 26 ALA C C 13 181.748 0.2 . 1 . . . . 26 ALA C . 6749 1 312 . 1 1 26 26 ALA CA C 13 55.54 0.2 . 1 . . . . 26 ALA CA . 6749 1 313 . 1 1 26 26 ALA CB C 13 18.196 0.2 . 1 . . . . 26 ALA CB . 6749 1 314 . 1 1 26 26 ALA N N 15 120.689 0.05 . 1 . . . . 26 ALA N . 6749 1 315 . 1 1 27 27 THR H H 1 7.847 0.02 . 1 . . . . 27 THR H . 6749 1 316 . 1 1 27 27 THR HA H 1 3.871 0.02 . 1 . . . . 27 THR HA . 6749 1 317 . 1 1 27 27 THR HB H 1 3.525 0.02 . 1 . . . . 27 THR HB . 6749 1 318 . 1 1 27 27 THR HG21 H 1 0.331 0.02 . 1 . . . . 27 THR HG2 . 6749 1 319 . 1 1 27 27 THR HG22 H 1 0.331 0.02 . 1 . . . . 27 THR HG2 . 6749 1 320 . 1 1 27 27 THR HG23 H 1 0.331 0.02 . 1 . . . . 27 THR HG2 . 6749 1 321 . 1 1 27 27 THR C C 13 175.857 0.2 . 1 . . . . 27 THR C . 6749 1 322 . 1 1 27 27 THR CA C 13 66.874 0.2 . 1 . . . . 27 THR CA . 6749 1 323 . 1 1 27 27 THR CB C 13 67.342 0.2 . 1 . . . . 27 THR CB . 6749 1 324 . 1 1 27 27 THR CG2 C 13 20.975 0.2 . 1 . . . . 27 THR CG2 . 6749 1 325 . 1 1 27 27 THR N N 15 117.601 0.05 . 1 . . . . 27 THR N . 6749 1 326 . 1 1 28 28 TYR H H 1 7.548 0.02 . 1 . . . . 28 TYR H . 6749 1 327 . 1 1 28 28 TYR HA H 1 4.041 0.02 . 1 . . . . 28 TYR HA . 6749 1 328 . 1 1 28 28 TYR HB3 H 1 3.108 0.02 . 2 . . . . 28 TYR HB3 . 6749 1 329 . 1 1 28 28 TYR HD1 H 1 7.046 0.02 . 3 . . . . 28 TYR HD1 . 6749 1 330 . 1 1 28 28 TYR HE1 H 1 6.786 0.02 . 3 . . . . 28 TYR HE1 . 6749 1 331 . 1 1 28 28 TYR C C 13 177.192 0.2 . 1 . . . . 28 TYR C . 6749 1 332 . 1 1 28 28 TYR CA C 13 62.582 0.2 . 1 . . . . 28 TYR CA . 6749 1 333 . 1 1 28 28 TYR CB C 13 38.459 0.2 . 1 . . . . 28 TYR CB . 6749 1 334 . 1 1 28 28 TYR CD1 C 13 132.41 0.2 . 3 . . . . 28 TYR CD1 . 6749 1 335 . 1 1 28 28 TYR CE1 C 13 117.79 0.2 . 3 . . . . 28 TYR CE1 . 6749 1 336 . 1 1 28 28 TYR N N 15 121.788 0.05 . 1 . . . . 28 TYR N . 6749 1 337 . 1 1 29 29 ASN H H 1 8.892 0.02 . 1 . . . . 29 ASN H . 6749 1 338 . 1 1 29 29 ASN HA H 1 4.319 0.02 . 1 . . . . 29 ASN HA . 6749 1 339 . 1 1 29 29 ASN HB2 H 1 2.801 0.02 . 2 . . . . 29 ASN HB2 . 6749 1 340 . 1 1 29 29 ASN HB3 H 1 2.897 0.02 . 2 . . . . 29 ASN HB3 . 6749 1 341 . 1 1 29 29 ASN HD21 H 1 7.572 0.02 . 2 . . . . 29 ASN HD21 . 6749 1 342 . 1 1 29 29 ASN HD22 H 1 7.059 0.02 . 2 . . . . 29 ASN HD22 . 6749 1 343 . 1 1 29 29 ASN C C 13 178.447 0.2 . 1 . . . . 29 ASN C . 6749 1 344 . 1 1 29 29 ASN CA C 13 56.251 0.2 . 1 . . . . 29 ASN CA . 6749 1 345 . 1 1 29 29 ASN CB C 13 37.559 0.2 . 1 . . . . 29 ASN CB . 6749 1 346 . 1 1 29 29 ASN N N 15 116.527 0.05 . 1 . . . . 29 ASN N . 6749 1 347 . 1 1 29 29 ASN ND2 N 15 112.165 0.05 . 1 . . . . 29 ASN ND2 . 6749 1 348 . 1 1 30 30 GLY H H 1 8.135 0.02 . 1 . . . . 30 GLY H . 6749 1 349 . 1 1 30 30 GLY HA3 H 1 3.786 0.02 . 2 . . . . 30 GLY HA3 . 6749 1 350 . 1 1 30 30 GLY C C 13 176.161 0.2 . 1 . . . . 30 GLY C . 6749 1 351 . 1 1 30 30 GLY CA C 13 46.78 0.2 . 1 . . . . 30 GLY CA . 6749 1 352 . 1 1 30 30 GLY N N 15 109.213 0.05 . 1 . . . . 30 GLY N . 6749 1 353 . 1 1 31 31 PHE H H 1 8.036 0.02 . 1 . . . . 31 PHE H . 6749 1 354 . 1 1 31 31 PHE HA H 1 3.933 0.02 . 1 . . . . 31 PHE HA . 6749 1 355 . 1 1 31 31 PHE HB2 H 1 2.943 0.02 . 2 . . . . 31 PHE HB2 . 6749 1 356 . 1 1 31 31 PHE HB3 H 1 3.351 0.02 . 2 . . . . 31 PHE HB3 . 6749 1 357 . 1 1 31 31 PHE HD1 H 1 6.793 0.02 . 3 . . . . 31 PHE HD1 . 6749 1 358 . 1 1 31 31 PHE HE1 H 1 7.162 0.02 . 3 . . . . 31 PHE HE1 . 6749 1 359 . 1 1 31 31 PHE HZ H 1 7.371 0.02 . 1 . . . . 31 PHE HZ . 6749 1 360 . 1 1 31 31 PHE C C 13 176.596 0.2 . 1 . . . . 31 PHE C . 6749 1 361 . 1 1 31 31 PHE CA C 13 61.366 0.2 . 1 . . . . 31 PHE CA . 6749 1 362 . 1 1 31 31 PHE CB C 13 38.174 0.2 . 1 . . . . 31 PHE CB . 6749 1 363 . 1 1 31 31 PHE CD1 C 13 132.025 0.2 . 3 . . . . 31 PHE CD1 . 6749 1 364 . 1 1 31 31 PHE CE1 C 13 130.871 0.2 . 3 . . . . 31 PHE CE1 . 6749 1 365 . 1 1 31 31 PHE CZ C 13 128.948 0.2 . 1 . . . . 31 PHE CZ . 6749 1 366 . 1 1 31 31 PHE N N 15 125.164 0.05 . 1 . . . . 31 PHE N . 6749 1 367 . 1 1 32 32 LEU H H 1 7.967 0.02 . 1 . . . . 32 LEU H . 6749 1 368 . 1 1 32 32 LEU HA H 1 3.536 0.02 . 1 . . . . 32 LEU HA . 6749 1 369 . 1 1 32 32 LEU HB2 H 1 1.265 0.02 . 2 . . . . 32 LEU HB2 . 6749 1 370 . 1 1 32 32 LEU HB3 H 1 1.914 0.02 . 2 . . . . 32 LEU HB3 . 6749 1 371 . 1 1 32 32 LEU HG H 1 1.443 0.02 . 1 . . . . 32 LEU HG . 6749 1 372 . 1 1 32 32 LEU HD11 H 1 0.884 0.02 . 1 . . . . 32 LEU HD1 . 6749 1 373 . 1 1 32 32 LEU HD12 H 1 0.884 0.02 . 1 . . . . 32 LEU HD1 . 6749 1 374 . 1 1 32 32 LEU HD13 H 1 0.884 0.02 . 1 . . . . 32 LEU HD1 . 6749 1 375 . 1 1 32 32 LEU HD21 H 1 0.763 0.02 . 1 . . . . 32 LEU HD2 . 6749 1 376 . 1 1 32 32 LEU HD22 H 1 0.763 0.02 . 1 . . . . 32 LEU HD2 . 6749 1 377 . 1 1 32 32 LEU HD23 H 1 0.763 0.02 . 1 . . . . 32 LEU HD2 . 6749 1 378 . 1 1 32 32 LEU C C 13 179.439 0.2 . 1 . . . . 32 LEU C . 6749 1 379 . 1 1 32 32 LEU CA C 13 57.919 0.2 . 1 . . . . 32 LEU CA . 6749 1 380 . 1 1 32 32 LEU CB C 13 40.779 0.2 . 1 . . . . 32 LEU CB . 6749 1 381 . 1 1 32 32 LEU CG C 13 26.351 0.2 . 1 . . . . 32 LEU CG . 6749 1 382 . 1 1 32 32 LEU CD1 C 13 25.392 0.2 . 1 . . . . 32 LEU CD1 . 6749 1 383 . 1 1 32 32 LEU CD2 C 13 22.348 0.2 . 1 . . . . 32 LEU CD2 . 6749 1 384 . 1 1 32 32 LEU N N 15 119.017 0.05 . 1 . . . . 32 LEU N . 6749 1 385 . 1 1 33 33 GLU H H 1 8.18 0.02 . 1 . . . . 33 GLU H . 6749 1 386 . 1 1 33 33 GLU HA H 1 3.913 0.02 . 1 . . . . 33 GLU HA . 6749 1 387 . 1 1 33 33 GLU HB3 H 1 2.104 0.02 . 2 . . . . 33 GLU HB3 . 6749 1 388 . 1 1 33 33 GLU HG2 H 1 2.296 0.02 . 2 . . . . 33 GLU HG2 . 6749 1 389 . 1 1 33 33 GLU HG3 H 1 2.364 0.02 . 2 . . . . 33 GLU HG3 . 6749 1 390 . 1 1 33 33 GLU C C 13 178.515 0.2 . 1 . . . . 33 GLU C . 6749 1 391 . 1 1 33 33 GLU CA C 13 59.485 0.2 . 1 . . . . 33 GLU CA . 6749 1 392 . 1 1 33 33 GLU CB C 13 29.261 0.2 . 1 . . . . 33 GLU CB . 6749 1 393 . 1 1 33 33 GLU CG C 13 36.139 0.2 . 1 . . . . 33 GLU CG . 6749 1 394 . 1 1 33 33 GLU N N 15 118.654 0.05 . 1 . . . . 33 GLU N . 6749 1 395 . 1 1 34 34 ILE H H 1 7.257 0.02 . 1 . . . . 34 ILE H . 6749 1 396 . 1 1 34 34 ILE HA H 1 3.469 0.02 . 1 . . . . 34 ILE HA . 6749 1 397 . 1 1 34 34 ILE HB H 1 1.713 0.02 . 1 . . . . 34 ILE HB . 6749 1 398 . 1 1 34 34 ILE HG13 H 1 1.954 0.02 . 2 . . . . 34 ILE HG13 . 6749 1 399 . 1 1 34 34 ILE HG21 H 1 0.709 0.02 . 1 . . . . 34 ILE HG2 . 6749 1 400 . 1 1 34 34 ILE HG22 H 1 0.709 0.02 . 1 . . . . 34 ILE HG2 . 6749 1 401 . 1 1 34 34 ILE HG23 H 1 0.709 0.02 . 1 . . . . 34 ILE HG2 . 6749 1 402 . 1 1 34 34 ILE HD11 H 1 0.649 0.02 . 1 . . . . 34 ILE HD1 . 6749 1 403 . 1 1 34 34 ILE HD12 H 1 0.649 0.02 . 1 . . . . 34 ILE HD1 . 6749 1 404 . 1 1 34 34 ILE HD13 H 1 0.649 0.02 . 1 . . . . 34 ILE HD1 . 6749 1 405 . 1 1 34 34 ILE C C 13 177.843 0.2 . 1 . . . . 34 ILE C . 6749 1 406 . 1 1 34 34 ILE CA C 13 65.184 0.2 . 1 . . . . 34 ILE CA . 6749 1 407 . 1 1 34 34 ILE CB C 13 38.044 0.2 . 1 . . . . 34 ILE CB . 6749 1 408 . 1 1 34 34 ILE CG1 C 13 28.846 0.2 . 1 . . . . 34 ILE CG1 . 6749 1 409 . 1 1 34 34 ILE CG2 C 13 19.489 0.2 . 1 . . . . 34 ILE CG2 . 6749 1 410 . 1 1 34 34 ILE CD1 C 13 15.752 0.2 . 1 . . . . 34 ILE CD1 . 6749 1 411 . 1 1 34 34 ILE N N 15 118.908 0.05 . 1 . . . . 34 ILE N . 6749 1 412 . 1 1 35 35 MET H H 1 7.379 0.02 . 1 . . . . 35 MET H . 6749 1 413 . 1 1 35 35 MET HA H 1 4.293 0.02 . 1 . . . . 35 MET HA . 6749 1 414 . 1 1 35 35 MET HB3 H 1 1.674 0.02 . 2 . . . . 35 MET HB3 . 6749 1 415 . 1 1 35 35 MET HG2 H 1 2.101 0.02 . 2 . . . . 35 MET HG2 . 6749 1 416 . 1 1 35 35 MET HG3 H 1 2.343 0.02 . 2 . . . . 35 MET HG3 . 6749 1 417 . 1 1 35 35 MET HE1 H 1 1.617 0.02 . 1 . . . . 35 MET HE . 6749 1 418 . 1 1 35 35 MET HE2 H 1 1.617 0.02 . 1 . . . . 35 MET HE . 6749 1 419 . 1 1 35 35 MET HE3 H 1 1.617 0.02 . 1 . . . . 35 MET HE . 6749 1 420 . 1 1 35 35 MET C C 13 178.163 0.2 . 1 . . . . 35 MET C . 6749 1 421 . 1 1 35 35 MET CA C 13 57.068 0.2 . 1 . . . . 35 MET CA . 6749 1 422 . 1 1 35 35 MET CB C 13 32.98 0.2 . 1 . . . . 35 MET CB . 6749 1 423 . 1 1 35 35 MET CG C 13 32.85 0.2 . 1 . . . . 35 MET CG . 6749 1 424 . 1 1 35 35 MET CE C 13 19.498 0.2 . 1 . . . . 35 MET CE . 6749 1 425 . 1 1 35 35 MET N N 15 116.453 0.05 . 1 . . . . 35 MET N . 6749 1 426 . 1 1 36 36 LYS H H 1 8.648 0.02 . 1 . . . . 36 LYS H . 6749 1 427 . 1 1 36 36 LYS HA H 1 3.851 0.02 . 1 . . . . 36 LYS HA . 6749 1 428 . 1 1 36 36 LYS HB3 H 1 1.944 0.02 . 2 . . . . 36 LYS HB3 . 6749 1 429 . 1 1 36 36 LYS HG2 H 1 1.402 0.02 . 2 . . . . 36 LYS HG2 . 6749 1 430 . 1 1 36 36 LYS HG3 H 1 1.569 0.02 . 2 . . . . 36 LYS HG3 . 6749 1 431 . 1 1 36 36 LYS HD2 H 1 1.58 0.02 . 2 . . . . 36 LYS HD2 . 6749 1 432 . 1 1 36 36 LYS HD3 H 1 1.686 0.02 . 2 . . . . 36 LYS HD3 . 6749 1 433 . 1 1 36 36 LYS HE2 H 1 2.923 0.02 . 2 . . . . 36 LYS HE2 . 6749 1 434 . 1 1 36 36 LYS HE3 H 1 2.815 0.02 . 2 . . . . 36 LYS HE3 . 6749 1 435 . 1 1 36 36 LYS C C 13 180.015 0.2 . 1 . . . . 36 LYS C . 6749 1 436 . 1 1 36 36 LYS CA C 13 60.024 0.2 . 1 . . . . 36 LYS CA . 6749 1 437 . 1 1 36 36 LYS CB C 13 32.852 0.2 . 1 . . . . 36 LYS CB . 6749 1 438 . 1 1 36 36 LYS CG C 13 25.614 0.2 . 1 . . . . 36 LYS CG . 6749 1 439 . 1 1 36 36 LYS CD C 13 29.294 0.2 . 1 . . . . 36 LYS CD . 6749 1 440 . 1 1 36 36 LYS CE C 13 41.779 0.2 . 1 . . . . 36 LYS CE . 6749 1 441 . 1 1 36 36 LYS N N 15 121.486 0.05 . 1 . . . . 36 LYS N . 6749 1 442 . 1 1 37 37 GLU H H 1 8.413 0.02 . 1 . . . . 37 GLU H . 6749 1 443 . 1 1 37 37 GLU HA H 1 4.048 0.02 . 1 . . . . 37 GLU HA . 6749 1 444 . 1 1 37 37 GLU HB3 H 1 2.142 0.02 . 2 . . . . 37 GLU HB3 . 6749 1 445 . 1 1 37 37 GLU C C 13 178.783 0.2 . 1 . . . . 37 GLU C . 6749 1 446 . 1 1 37 37 GLU CA C 13 59.562 0.2 . 1 . . . . 37 GLU CA . 6749 1 447 . 1 1 37 37 GLU CB C 13 29.585 0.2 . 1 . . . . 37 GLU CB . 6749 1 448 . 1 1 37 37 GLU N N 15 121.179 0.05 . 1 . . . . 37 GLU N . 6749 1 449 . 1 1 38 38 PHE H H 1 8.413 0.02 . 1 . . . . 38 PHE H . 6749 1 450 . 1 1 38 38 PHE HA H 1 4.432 0.02 . 1 . . . . 38 PHE HA . 6749 1 451 . 1 1 38 38 PHE HB2 H 1 2.954 0.02 . 2 . . . . 38 PHE HB2 . 6749 1 452 . 1 1 38 38 PHE HB3 H 1 3.077 0.02 . 2 . . . . 38 PHE HB3 . 6749 1 453 . 1 1 38 38 PHE HD1 H 1 6.978 0.02 . 3 . . . . 38 PHE HD1 . 6749 1 454 . 1 1 38 38 PHE HE1 H 1 7.177 0.02 . 3 . . . . 38 PHE HE1 . 6749 1 455 . 1 1 38 38 PHE HZ H 1 7.27 0.02 . 1 . . . . 38 PHE HZ . 6749 1 456 . 1 1 38 38 PHE C C 13 179.533 0.2 . 1 . . . . 38 PHE C . 6749 1 457 . 1 1 38 38 PHE CA C 13 60.656 0.2 . 1 . . . . 38 PHE CA . 6749 1 458 . 1 1 38 38 PHE CB C 13 39.445 0.2 . 1 . . . . 38 PHE CB . 6749 1 459 . 1 1 38 38 PHE CD1 C 13 131.641 0.2 . 3 . . . . 38 PHE CD1 . 6749 1 460 . 1 1 38 38 PHE N N 15 121.179 0.05 . 1 . . . . 38 PHE N . 6749 1 461 . 1 1 39 39 LYS H H 1 8.814 0.02 . 1 . . . . 39 LYS H . 6749 1 462 . 1 1 39 39 LYS HA H 1 3.76 0.02 . 1 . . . . 39 LYS HA . 6749 1 463 . 1 1 39 39 LYS HB2 H 1 1.812 0.02 . 2 . . . . 39 LYS HB2 . 6749 1 464 . 1 1 39 39 LYS HB3 H 1 1.981 0.02 . 2 . . . . 39 LYS HB3 . 6749 1 465 . 1 1 39 39 LYS HG2 H 1 1.466 0.02 . 2 . . . . 39 LYS HG2 . 6749 1 466 . 1 1 39 39 LYS HG3 H 1 1.528 0.02 . 2 . . . . 39 LYS HG3 . 6749 1 467 . 1 1 39 39 LYS HD2 H 1 1.626 0.02 . 2 . . . . 39 LYS HD2 . 6749 1 468 . 1 1 39 39 LYS HD3 H 1 1.677 0.02 . 2 . . . . 39 LYS HD3 . 6749 1 469 . 1 1 39 39 LYS HE3 H 1 3.018 0.02 . 2 . . . . 39 LYS HE3 . 6749 1 470 . 1 1 39 39 LYS C C 13 178.143 0.2 . 1 . . . . 39 LYS C . 6749 1 471 . 1 1 39 39 LYS CA C 13 59.098 0.2 . 1 . . . . 39 LYS CA . 6749 1 472 . 1 1 39 39 LYS CB C 13 31.913 0.2 . 1 . . . . 39 LYS CB . 6749 1 473 . 1 1 39 39 LYS CG C 13 25.041 0.2 . 1 . . . . 39 LYS CG . 6749 1 474 . 1 1 39 39 LYS CD C 13 28.874 0.2 . 1 . . . . 39 LYS CD . 6749 1 475 . 1 1 39 39 LYS CE C 13 41.811 0.2 . 1 . . . . 39 LYS CE . 6749 1 476 . 1 1 39 39 LYS N N 15 122.766 0.05 . 1 . . . . 39 LYS N . 6749 1 477 . 1 1 40 40 SER H H 1 8.012 0.02 . 1 . . . . 40 SER H . 6749 1 478 . 1 1 40 40 SER HA H 1 4.369 0.02 . 1 . . . . 40 SER HA . 6749 1 479 . 1 1 40 40 SER HB2 H 1 3.938 0.02 . 2 . . . . 40 SER HB2 . 6749 1 480 . 1 1 40 40 SER HB3 H 1 4.114 0.02 . 2 . . . . 40 SER HB3 . 6749 1 481 . 1 1 40 40 SER C C 13 173.606 0.2 . 1 . . . . 40 SER C . 6749 1 482 . 1 1 40 40 SER CA C 13 58.887 0.2 . 1 . . . . 40 SER CA . 6749 1 483 . 1 1 40 40 SER CB C 13 63.586 0.2 . 1 . . . . 40 SER CB . 6749 1 484 . 1 1 40 40 SER N N 15 112.101 0.05 . 1 . . . . 40 SER N . 6749 1 485 . 1 1 41 41 GLN H H 1 7.892 0.02 . 1 . . . . 41 GLN H . 6749 1 486 . 1 1 41 41 GLN HA H 1 4.103 0.02 . 1 . . . . 41 GLN HA . 6749 1 487 . 1 1 41 41 GLN HB2 H 1 2.276 0.02 . 2 . . . . 41 GLN HB2 . 6749 1 488 . 1 1 41 41 GLN HB3 H 1 2.38 0.02 . 2 . . . . 41 GLN HB3 . 6749 1 489 . 1 1 41 41 GLN HG2 H 1 2.137 0.02 . 2 . . . . 41 GLN HG2 . 6749 1 490 . 1 1 41 41 GLN HG3 H 1 2.213 0.02 . 2 . . . . 41 GLN HG3 . 6749 1 491 . 1 1 41 41 GLN HE21 H 1 7.432 0.02 . 2 . . . . 41 GLN HE21 . 6749 1 492 . 1 1 41 41 GLN HE22 H 1 6.668 0.02 . 2 . . . . 41 GLN HE22 . 6749 1 493 . 1 1 41 41 GLN C C 13 175.697 0.2 . 1 . . . . 41 GLN C . 6749 1 494 . 1 1 41 41 GLN CA C 13 57.151 0.2 . 1 . . . . 41 GLN CA . 6749 1 495 . 1 1 41 41 GLN CB C 13 25.641 0.2 . 1 . . . . 41 GLN CB . 6749 1 496 . 1 1 41 41 GLN CG C 13 34.364 0.2 . 1 . . . . 41 GLN CG . 6749 1 497 . 1 1 41 41 GLN N N 15 114.85 0.05 . 1 . . . . 41 GLN N . 6749 1 498 . 1 1 41 41 GLN NE2 N 15 112.236 0.05 . 1 . . . . 41 GLN NE2 . 6749 1 499 . 1 1 42 42 SER H H 1 8.602 0.02 . 1 . . . . 42 SER H . 6749 1 500 . 1 1 42 42 SER HA H 1 4.415 0.02 . 1 . . . . 42 SER HA . 6749 1 501 . 1 1 42 42 SER HB3 H 1 3.89 0.02 . 2 . . . . 42 SER HB3 . 6749 1 502 . 1 1 42 42 SER C C 13 174.191 0.2 . 1 . . . . 42 SER C . 6749 1 503 . 1 1 42 42 SER CA C 13 60.058 0.2 . 1 . . . . 42 SER CA . 6749 1 504 . 1 1 42 42 SER CB C 13 63.343 0.2 . 1 . . . . 42 SER CB . 6749 1 505 . 1 1 42 42 SER N N 15 114.79 0.05 . 1 . . . . 42 SER N . 6749 1 506 . 1 1 43 43 ILE H H 1 7.243 0.02 . 1 . . . . 43 ILE H . 6749 1 507 . 1 1 43 43 ILE HA H 1 4.661 0.02 . 1 . . . . 43 ILE HA . 6749 1 508 . 1 1 43 43 ILE HB H 1 1.889 0.02 . 1 . . . . 43 ILE HB . 6749 1 509 . 1 1 43 43 ILE HG12 H 1 1.036 0.02 . 2 . . . . 43 ILE HG12 . 6749 1 510 . 1 1 43 43 ILE HG13 H 1 1.515 0.02 . 2 . . . . 43 ILE HG13 . 6749 1 511 . 1 1 43 43 ILE HG21 H 1 0.854 0.02 . 1 . . . . 43 ILE HG2 . 6749 1 512 . 1 1 43 43 ILE HG22 H 1 0.854 0.02 . 1 . . . . 43 ILE HG2 . 6749 1 513 . 1 1 43 43 ILE HG23 H 1 0.854 0.02 . 1 . . . . 43 ILE HG2 . 6749 1 514 . 1 1 43 43 ILE HD11 H 1 0.816 0.02 . 1 . . . . 43 ILE HD1 . 6749 1 515 . 1 1 43 43 ILE HD12 H 1 0.816 0.02 . 1 . . . . 43 ILE HD1 . 6749 1 516 . 1 1 43 43 ILE HD13 H 1 0.816 0.02 . 1 . . . . 43 ILE HD1 . 6749 1 517 . 1 1 43 43 ILE C C 13 172.934 0.2 . 1 . . . . 43 ILE C . 6749 1 518 . 1 1 43 43 ILE CA C 13 59.465 0.2 . 1 . . . . 43 ILE CA . 6749 1 519 . 1 1 43 43 ILE CB C 13 41.842 0.2 . 1 . . . . 43 ILE CB . 6749 1 520 . 1 1 43 43 ILE CG1 C 13 25.405 0.2 . 1 . . . . 43 ILE CG1 . 6749 1 521 . 1 1 43 43 ILE CG2 C 13 17.227 0.2 . 1 . . . . 43 ILE CG2 . 6749 1 522 . 1 1 43 43 ILE CD1 C 13 14.751 0.2 . 1 . . . . 43 ILE CD1 . 6749 1 523 . 1 1 43 43 ILE N N 15 113.91 0.05 . 1 . . . . 43 ILE N . 6749 1 524 . 1 1 44 44 ASP H H 1 7.828 0.02 . 1 . . . . 44 ASP H . 6749 1 525 . 1 1 44 44 ASP HA H 1 4.995 0.02 . 1 . . . . 44 ASP HA . 6749 1 526 . 1 1 44 44 ASP HB2 H 1 2.849 0.02 . 2 . . . . 44 ASP HB2 . 6749 1 527 . 1 1 44 44 ASP HB3 H 1 3.292 0.02 . 2 . . . . 44 ASP HB3 . 6749 1 528 . 1 1 44 44 ASP C C 13 176.014 0.2 . 1 . . . . 44 ASP C . 6749 1 529 . 1 1 44 44 ASP CA C 13 51.338 0.2 . 1 . . . . 44 ASP CA . 6749 1 530 . 1 1 44 44 ASP CB C 13 42.315 0.2 . 1 . . . . 44 ASP CB . 6749 1 531 . 1 1 44 44 ASP N N 15 121.322 0.05 . 1 . . . . 44 ASP N . 6749 1 532 . 1 1 45 45 THR H H 1 8.794 0.02 . 1 . . . . 45 THR H . 6749 1 533 . 1 1 45 45 THR HA H 1 3.759 0.02 . 1 . . . . 45 THR HA . 6749 1 534 . 1 1 45 45 THR HB H 1 4.11 0.02 . 1 . . . . 45 THR HB . 6749 1 535 . 1 1 45 45 THR HG21 H 1 0.69 0.02 . 1 . . . . 45 THR HG2 . 6749 1 536 . 1 1 45 45 THR HG22 H 1 0.69 0.02 . 1 . . . . 45 THR HG2 . 6749 1 537 . 1 1 45 45 THR HG23 H 1 0.69 0.02 . 1 . . . . 45 THR HG2 . 6749 1 538 . 1 1 45 45 THR C C 13 173.978 0.2 . 1 . . . . 45 THR C . 6749 1 539 . 1 1 45 45 THR CA C 13 69.703 0.2 . 1 . . . . 45 THR CA . 6749 1 540 . 1 1 45 45 THR CB C 13 65.273 0.2 . 1 . . . . 45 THR CB . 6749 1 541 . 1 1 45 45 THR CG2 C 13 22.494 0.2 . 1 . . . . 45 THR CG2 . 6749 1 542 . 1 1 45 45 THR N N 15 115.536 0.05 . 1 . . . . 45 THR N . 6749 1 543 . 1 1 46 46 PRO HA H 1 4.21 0.02 . 1 . . . . 46 PRO HA . 6749 1 544 . 1 1 46 46 PRO HB2 H 1 1.903 0.02 . 2 . . . . 46 PRO HB2 . 6749 1 545 . 1 1 46 46 PRO HB3 H 1 2.358 0.02 . 2 . . . . 46 PRO HB3 . 6749 1 546 . 1 1 46 46 PRO HG3 H 1 2.288 0.02 . 2 . . . . 46 PRO HG3 . 6749 1 547 . 1 1 46 46 PRO HD2 H 1 3.478 0.02 . 2 . . . . 46 PRO HD2 . 6749 1 548 . 1 1 46 46 PRO HD3 H 1 3.8 0.02 . 2 . . . . 46 PRO HD3 . 6749 1 549 . 1 1 46 46 PRO C C 13 179.107 0.2 . 1 . . . . 46 PRO C . 6749 1 550 . 1 1 46 46 PRO CA C 13 66.199 0.2 . 1 . . . . 46 PRO CA . 6749 1 551 . 1 1 46 46 PRO CB C 13 30.691 0.2 . 1 . . . . 46 PRO CB . 6749 1 552 . 1 1 46 46 PRO CG C 13 28.235 0.2 . 1 . . . . 46 PRO CG . 6749 1 553 . 1 1 46 46 PRO CD C 13 49.451 0.2 . 1 . . . . 46 PRO CD . 6749 1 554 . 1 1 47 47 GLY H H 1 8.071 0.02 . 1 . . . . 47 GLY H . 6749 1 555 . 1 1 47 47 GLY HA3 H 1 3.87 0.02 . 2 . . . . 47 GLY HA3 . 6749 1 556 . 1 1 47 47 GLY C C 13 176.216 0.2 . 1 . . . . 47 GLY C . 6749 1 557 . 1 1 47 47 GLY CA C 13 47.216 0.2 . 1 . . . . 47 GLY CA . 6749 1 558 . 1 1 47 47 GLY N N 15 108.231 0.05 . 1 . . . . 47 GLY N . 6749 1 559 . 1 1 48 48 VAL H H 1 8.517 0.02 . 1 . . . . 48 VAL H . 6749 1 560 . 1 1 48 48 VAL HA H 1 3.304 0.02 . 1 . . . . 48 VAL HA . 6749 1 561 . 1 1 48 48 VAL HB H 1 2.332 0.02 . 1 . . . . 48 VAL HB . 6749 1 562 . 1 1 48 48 VAL HG11 H 1 0.733 0.02 . 1 . . . . 48 VAL HG1 . 6749 1 563 . 1 1 48 48 VAL HG12 H 1 0.733 0.02 . 1 . . . . 48 VAL HG1 . 6749 1 564 . 1 1 48 48 VAL HG13 H 1 0.733 0.02 . 1 . . . . 48 VAL HG1 . 6749 1 565 . 1 1 48 48 VAL HG21 H 1 0.792 0.02 . 1 . . . . 48 VAL HG2 . 6749 1 566 . 1 1 48 48 VAL HG22 H 1 0.792 0.02 . 1 . . . . 48 VAL HG2 . 6749 1 567 . 1 1 48 48 VAL HG23 H 1 0.792 0.02 . 1 . . . . 48 VAL HG2 . 6749 1 568 . 1 1 48 48 VAL C C 13 177.389 0.2 . 1 . . . . 48 VAL C . 6749 1 569 . 1 1 48 48 VAL CA C 13 66.577 0.2 . 1 . . . . 48 VAL CA . 6749 1 570 . 1 1 48 48 VAL CB C 13 31.261 0.2 . 1 . . . . 48 VAL CB . 6749 1 571 . 1 1 48 48 VAL CG1 C 13 22.021 0.2 . 1 . . . . 48 VAL CG1 . 6749 1 572 . 1 1 48 48 VAL CG2 C 13 23.98 0.2 . 1 . . . . 48 VAL CG2 . 6749 1 573 . 1 1 48 48 VAL N N 15 124.131 0.05 . 1 . . . . 48 VAL N . 6749 1 574 . 1 1 49 49 ILE H H 1 8.157 0.02 . 1 . . . . 49 ILE H . 6749 1 575 . 1 1 49 49 ILE HA H 1 3.418 0.02 . 1 . . . . 49 ILE HA . 6749 1 576 . 1 1 49 49 ILE HB H 1 1.925 0.02 . 1 . . . . 49 ILE HB . 6749 1 577 . 1 1 49 49 ILE HG12 H 1 1.093 0.02 . 2 . . . . 49 ILE HG12 . 6749 1 578 . 1 1 49 49 ILE HG13 H 1 1.792 0.02 . 2 . . . . 49 ILE HG13 . 6749 1 579 . 1 1 49 49 ILE HG21 H 1 1.018 0.02 . 1 . . . . 49 ILE HG2 . 6749 1 580 . 1 1 49 49 ILE HG22 H 1 1.018 0.02 . 1 . . . . 49 ILE HG2 . 6749 1 581 . 1 1 49 49 ILE HG23 H 1 1.018 0.02 . 1 . . . . 49 ILE HG2 . 6749 1 582 . 1 1 49 49 ILE HD11 H 1 0.911 0.02 . 1 . . . . 49 ILE HD1 . 6749 1 583 . 1 1 49 49 ILE HD12 H 1 0.911 0.02 . 1 . . . . 49 ILE HD1 . 6749 1 584 . 1 1 49 49 ILE HD13 H 1 0.911 0.02 . 1 . . . . 49 ILE HD1 . 6749 1 585 . 1 1 49 49 ILE C C 13 178.455 0.2 . 1 . . . . 49 ILE C . 6749 1 586 . 1 1 49 49 ILE CA C 13 66.356 0.2 . 1 . . . . 49 ILE CA . 6749 1 587 . 1 1 49 49 ILE CB C 13 38.185 0.2 . 1 . . . . 49 ILE CB . 6749 1 588 . 1 1 49 49 ILE CG1 C 13 30.096 0.2 . 1 . . . . 49 ILE CG1 . 6749 1 589 . 1 1 49 49 ILE CG2 C 13 17.186 0.2 . 1 . . . . 49 ILE CG2 . 6749 1 590 . 1 1 49 49 ILE CD1 C 13 15.681 0.2 . 1 . . . . 49 ILE CD1 . 6749 1 591 . 1 1 49 49 ILE N N 15 119.271 0.05 . 1 . . . . 49 ILE N . 6749 1 592 . 1 1 50 50 ARG H H 1 8.052 0.02 . 1 . . . . 50 ARG H . 6749 1 593 . 1 1 50 50 ARG HA H 1 4.056 0.02 . 1 . . . . 50 ARG HA . 6749 1 594 . 1 1 50 50 ARG HB3 H 1 1.95 0.02 . 2 . . . . 50 ARG HB3 . 6749 1 595 . 1 1 50 50 ARG HG2 H 1 1.596 0.02 . 2 . . . . 50 ARG HG2 . 6749 1 596 . 1 1 50 50 ARG HG3 H 1 1.787 0.02 . 2 . . . . 50 ARG HG3 . 6749 1 597 . 1 1 50 50 ARG HD3 H 1 3.259 0.02 . 2 . . . . 50 ARG HD3 . 6749 1 598 . 1 1 50 50 ARG C C 13 179.142 0.2 . 1 . . . . 50 ARG C . 6749 1 599 . 1 1 50 50 ARG CA C 13 59.637 0.2 . 1 . . . . 50 ARG CA . 6749 1 600 . 1 1 50 50 ARG CB C 13 30.186 0.2 . 1 . . . . 50 ARG CB . 6749 1 601 . 1 1 50 50 ARG CG C 13 27.313 0.2 . 1 . . . . 50 ARG CG . 6749 1 602 . 1 1 50 50 ARG CD C 13 43.254 0.2 . 1 . . . . 50 ARG CD . 6749 1 603 . 1 1 50 50 ARG N N 15 120.048 0.05 . 1 . . . . 50 ARG N . 6749 1 604 . 1 1 51 51 ARG H H 1 7.845 0.02 . 1 . . . . 51 ARG H . 6749 1 605 . 1 1 51 51 ARG HA H 1 4.067 0.02 . 1 . . . . 51 ARG HA . 6749 1 606 . 1 1 51 51 ARG HB3 H 1 1.772 0.02 . 2 . . . . 51 ARG HB3 . 6749 1 607 . 1 1 51 51 ARG HG3 H 1 1.678 0.02 . 2 . . . . 51 ARG HG3 . 6749 1 608 . 1 1 51 51 ARG HD3 H 1 3.111 0.02 . 2 . . . . 51 ARG HD3 . 6749 1 609 . 1 1 51 51 ARG C C 13 179.705 0.2 . 1 . . . . 51 ARG C . 6749 1 610 . 1 1 51 51 ARG CA C 13 58.844 0.2 . 1 . . . . 51 ARG CA . 6749 1 611 . 1 1 51 51 ARG CB C 13 27.334 0.2 . 1 . . . . 51 ARG CB . 6749 1 612 . 1 1 51 51 ARG CG C 13 27.149 0.2 . 1 . . . . 51 ARG CG . 6749 1 613 . 1 1 51 51 ARG CD C 13 42.334 0.2 . 1 . . . . 51 ARG CD . 6749 1 614 . 1 1 51 51 ARG N N 15 118.064 0.05 . 1 . . . . 51 ARG N . 6749 1 615 . 1 1 52 52 VAL H H 1 9.026 0.02 . 1 . . . . 52 VAL H . 6749 1 616 . 1 1 52 52 VAL HA H 1 2.979 0.02 . 1 . . . . 52 VAL HA . 6749 1 617 . 1 1 52 52 VAL HB H 1 1.472 0.02 . 1 . . . . 52 VAL HB . 6749 1 618 . 1 1 52 52 VAL HG11 H 1 -0.085 0.02 . 1 . . . . 52 VAL HG1 . 6749 1 619 . 1 1 52 52 VAL HG12 H 1 -0.085 0.02 . 1 . . . . 52 VAL HG1 . 6749 1 620 . 1 1 52 52 VAL HG13 H 1 -0.085 0.02 . 1 . . . . 52 VAL HG1 . 6749 1 621 . 1 1 52 52 VAL HG21 H 1 0.422 0.02 . 1 . . . . 52 VAL HG2 . 6749 1 622 . 1 1 52 52 VAL HG22 H 1 0.422 0.02 . 1 . . . . 52 VAL HG2 . 6749 1 623 . 1 1 52 52 VAL HG23 H 1 0.422 0.02 . 1 . . . . 52 VAL HG2 . 6749 1 624 . 1 1 52 52 VAL C C 13 176.744 0.2 . 1 . . . . 52 VAL C . 6749 1 625 . 1 1 52 52 VAL CA C 13 67.041 0.2 . 1 . . . . 52 VAL CA . 6749 1 626 . 1 1 52 52 VAL CB C 13 31.166 0.2 . 1 . . . . 52 VAL CB . 6749 1 627 . 1 1 52 52 VAL CG1 C 13 20.433 0.2 . 1 . . . . 52 VAL CG1 . 6749 1 628 . 1 1 52 52 VAL CG2 C 13 23.818 0.2 . 1 . . . . 52 VAL CG2 . 6749 1 629 . 1 1 52 52 VAL N N 15 122.067 0.05 . 1 . . . . 52 VAL N . 6749 1 630 . 1 1 53 53 SER H H 1 8.155 0.02 . 1 . . . . 53 SER H . 6749 1 631 . 1 1 53 53 SER HA H 1 3.954 0.02 . 1 . . . . 53 SER HA . 6749 1 632 . 1 1 53 53 SER HB3 H 1 3.968 0.02 . 2 . . . . 53 SER HB3 . 6749 1 633 . 1 1 53 53 SER C C 13 175.837 0.2 . 1 . . . . 53 SER C . 6749 1 634 . 1 1 53 53 SER CA C 13 62.24 0.2 . 1 . . . . 53 SER CA . 6749 1 635 . 1 1 53 53 SER CB C 13 62.597 0.2 . 1 . . . . 53 SER CB . 6749 1 636 . 1 1 53 53 SER N N 15 114.407 0.05 . 1 . . . . 53 SER N . 6749 1 637 . 1 1 54 54 GLN H H 1 7.184 0.02 . 1 . . . . 54 GLN H . 6749 1 638 . 1 1 54 54 GLN HA H 1 4.237 0.02 . 1 . . . . 54 GLN HA . 6749 1 639 . 1 1 54 54 GLN HB2 H 1 2.08 0.02 . 2 . . . . 54 GLN HB2 . 6749 1 640 . 1 1 54 54 GLN HB3 H 1 2.161 0.02 . 2 . . . . 54 GLN HB3 . 6749 1 641 . 1 1 54 54 GLN HG2 H 1 2.376 0.02 . 2 . . . . 54 GLN HG2 . 6749 1 642 . 1 1 54 54 GLN HG3 H 1 2.509 0.02 . 2 . . . . 54 GLN HG3 . 6749 1 643 . 1 1 54 54 GLN HE21 H 1 7.492 0.02 . 2 . . . . 54 GLN HE21 . 6749 1 644 . 1 1 54 54 GLN HE22 H 1 6.782 0.02 . 2 . . . . 54 GLN HE22 . 6749 1 645 . 1 1 54 54 GLN C C 13 178.664 0.2 . 1 . . . . 54 GLN C . 6749 1 646 . 1 1 54 54 GLN CA C 13 58.136 0.2 . 1 . . . . 54 GLN CA . 6749 1 647 . 1 1 54 54 GLN CB C 13 28.803 0.2 . 1 . . . . 54 GLN CB . 6749 1 648 . 1 1 54 54 GLN CG C 13 33.731 0.2 . 1 . . . . 54 GLN CG . 6749 1 649 . 1 1 54 54 GLN N N 15 117.588 0.05 . 1 . . . . 54 GLN N . 6749 1 650 . 1 1 54 54 GLN NE2 N 15 111.92 0.05 . 1 . . . . 54 GLN NE2 . 6749 1 651 . 1 1 55 55 LEU H H 1 8.048 0.02 . 1 . . . . 55 LEU H . 6749 1 652 . 1 1 55 55 LEU HA H 1 4.136 0.02 . 1 . . . . 55 LEU HA . 6749 1 653 . 1 1 55 55 LEU HB3 H 1 1.421 0.02 . 2 . . . . 55 LEU HB3 . 6749 1 654 . 1 1 55 55 LEU HG H 1 1.523 0.02 . 1 . . . . 55 LEU HG . 6749 1 655 . 1 1 55 55 LEU HD11 H 1 0.927 0.02 . 1 . . . . 55 LEU HD1 . 6749 1 656 . 1 1 55 55 LEU HD12 H 1 0.927 0.02 . 1 . . . . 55 LEU HD1 . 6749 1 657 . 1 1 55 55 LEU HD13 H 1 0.927 0.02 . 1 . . . . 55 LEU HD1 . 6749 1 658 . 1 1 55 55 LEU HD21 H 1 0.676 0.02 . 1 . . . . 55 LEU HD2 . 6749 1 659 . 1 1 55 55 LEU HD22 H 1 0.676 0.02 . 1 . . . . 55 LEU HD2 . 6749 1 660 . 1 1 55 55 LEU HD23 H 1 0.676 0.02 . 1 . . . . 55 LEU HD2 . 6749 1 661 . 1 1 55 55 LEU C C 13 179.794 0.2 . 1 . . . . 55 LEU C . 6749 1 662 . 1 1 55 55 LEU CA C 13 57.917 0.2 . 1 . . . . 55 LEU CA . 6749 1 663 . 1 1 55 55 LEU CB C 13 42.941 0.2 . 1 . . . . 55 LEU CB . 6749 1 664 . 1 1 55 55 LEU CG C 13 26.099 0.2 . 1 . . . . 55 LEU CG . 6749 1 665 . 1 1 55 55 LEU CD1 C 13 23.835 0.2 . 1 . . . . 55 LEU CD1 . 6749 1 666 . 1 1 55 55 LEU CD2 C 13 25.541 0.2 . 1 . . . . 55 LEU CD2 . 6749 1 667 . 1 1 55 55 LEU N N 15 121.602 0.05 . 1 . . . . 55 LEU N . 6749 1 668 . 1 1 56 56 PHE H H 1 8.346 0.02 . 1 . . . . 56 PHE H . 6749 1 669 . 1 1 56 56 PHE HA H 1 5.267 0.02 . 1 . . . . 56 PHE HA . 6749 1 670 . 1 1 56 56 PHE HB2 H 1 3.024 0.02 . 2 . . . . 56 PHE HB2 . 6749 1 671 . 1 1 56 56 PHE HB3 H 1 3.966 0.02 . 2 . . . . 56 PHE HB3 . 6749 1 672 . 1 1 56 56 PHE HD1 H 1 6.749 0.02 . 3 . . . . 56 PHE HD1 . 6749 1 673 . 1 1 56 56 PHE HE1 H 1 6.98 0.02 . 3 . . . . 56 PHE HE1 . 6749 1 674 . 1 1 56 56 PHE HZ H 1 6.404 0.02 . 1 . . . . 56 PHE HZ . 6749 1 675 . 1 1 56 56 PHE C C 13 176.214 0.2 . 1 . . . . 56 PHE C . 6749 1 676 . 1 1 56 56 PHE CA C 13 52.779 0.2 . 1 . . . . 56 PHE CA . 6749 1 677 . 1 1 56 56 PHE CB C 13 36.959 0.2 . 1 . . . . 56 PHE CB . 6749 1 678 . 1 1 56 56 PHE CD1 C 13 128.865 0.2 . 3 . . . . 56 PHE CD1 . 6749 1 679 . 1 1 56 56 PHE CE1 C 13 131.629 0.2 . 3 . . . . 56 PHE CE1 . 6749 1 680 . 1 1 56 56 PHE CZ C 13 129.172 0.2 . 1 . . . . 56 PHE CZ . 6749 1 681 . 1 1 56 56 PHE N N 15 114.015 0.05 . 1 . . . . 56 PHE N . 6749 1 682 . 1 1 57 57 HIS H H 1 7.337 0.02 . 1 . . . . 57 HIS H . 6749 1 683 . 1 1 57 57 HIS HA H 1 4.292 0.02 . 1 . . . . 57 HIS HA . 6749 1 684 . 1 1 57 57 HIS HB2 H 1 3.41 0.02 . 2 . . . . 57 HIS HB2 . 6749 1 685 . 1 1 57 57 HIS HB3 H 1 3.558 0.02 . 2 . . . . 57 HIS HB3 . 6749 1 686 . 1 1 57 57 HIS HD2 H 1 7.338 0.02 . 1 . . . . 57 HIS HD2 . 6749 1 687 . 1 1 57 57 HIS HE1 H 1 8.131 0.02 . 1 . . . . 57 HIS HE1 . 6749 1 688 . 1 1 57 57 HIS C C 13 175.98 0.2 . 1 . . . . 57 HIS C . 6749 1 689 . 1 1 57 57 HIS CA C 13 60.615 0.2 . 1 . . . . 57 HIS CA . 6749 1 690 . 1 1 57 57 HIS CB C 13 30.021 0.2 . 1 . . . . 57 HIS CB . 6749 1 691 . 1 1 57 57 HIS CD2 C 13 120.858 0.2 . 1 . . . . 57 HIS CD2 . 6749 1 692 . 1 1 57 57 HIS CE1 C 13 137.505 0.2 . 1 . . . . 57 HIS CE1 . 6749 1 693 . 1 1 57 57 HIS N N 15 119.676 0.05 . 1 . . . . 57 HIS N . 6749 1 694 . 1 1 58 58 GLU H H 1 8.656 0.02 . 1 . . . . 58 GLU H . 6749 1 695 . 1 1 58 58 GLU HA H 1 4.165 0.02 . 1 . . . . 58 GLU HA . 6749 1 696 . 1 1 58 58 GLU HB2 H 1 1.611 0.02 . 2 . . . . 58 GLU HB2 . 6749 1 697 . 1 1 58 58 GLU HB3 H 1 1.99 0.02 . 2 . . . . 58 GLU HB3 . 6749 1 698 . 1 1 58 58 GLU HG2 H 1 1.937 0.02 . 2 . . . . 58 GLU HG2 . 6749 1 699 . 1 1 58 58 GLU HG3 H 1 2.04 0.02 . 2 . . . . 58 GLU HG3 . 6749 1 700 . 1 1 58 58 GLU C C 13 174.838 0.2 . 1 . . . . 58 GLU C . 6749 1 701 . 1 1 58 58 GLU CA C 13 56.198 0.2 . 1 . . . . 58 GLU CA . 6749 1 702 . 1 1 58 58 GLU CB C 13 29.265 0.2 . 1 . . . . 58 GLU CB . 6749 1 703 . 1 1 58 58 GLU CG C 13 37.141 0.2 . 1 . . . . 58 GLU CG . 6749 1 704 . 1 1 58 58 GLU N N 15 115.309 0.05 . 1 . . . . 58 GLU N . 6749 1 705 . 1 1 59 59 HIS H H 1 8.296 0.02 . 1 . . . . 59 HIS H . 6749 1 706 . 1 1 59 59 HIS HA H 1 4.903 0.02 . 1 . . . . 59 HIS HA . 6749 1 707 . 1 1 59 59 HIS HB3 H 1 2.785 0.02 . 2 . . . . 59 HIS HB3 . 6749 1 708 . 1 1 59 59 HIS HD2 H 1 7.33 0.02 . 1 . . . . 59 HIS HD2 . 6749 1 709 . 1 1 59 59 HIS HE1 H 1 7.684 0.02 . 1 . . . . 59 HIS HE1 . 6749 1 710 . 1 1 59 59 HIS C C 13 172.935 0.2 . 1 . . . . 59 HIS C . 6749 1 711 . 1 1 59 59 HIS CA C 13 53.392 0.2 . 1 . . . . 59 HIS CA . 6749 1 712 . 1 1 59 59 HIS CB C 13 32.6 0.2 . 1 . . . . 59 HIS CB . 6749 1 713 . 1 1 59 59 HIS CD2 C 13 118.55 0.2 . 1 . . . . 59 HIS CD2 . 6749 1 714 . 1 1 59 59 HIS CE1 C 13 139.34 0.2 . 1 . . . . 59 HIS CE1 . 6749 1 715 . 1 1 59 59 HIS N N 15 117.854 0.05 . 1 . . . . 59 HIS N . 6749 1 716 . 1 1 60 60 PRO HA H 1 4.251 0.02 . 1 . . . . 60 PRO HA . 6749 1 717 . 1 1 60 60 PRO HB2 H 1 2.149 0.02 . 2 . . . . 60 PRO HB2 . 6749 1 718 . 1 1 60 60 PRO HB3 H 1 2.44 0.02 . 2 . . . . 60 PRO HB3 . 6749 1 719 . 1 1 60 60 PRO HG2 H 1 2.147 0.02 . 2 . . . . 60 PRO HG2 . 6749 1 720 . 1 1 60 60 PRO HG3 H 1 2.054 0.02 . 2 . . . . 60 PRO HG3 . 6749 1 721 . 1 1 60 60 PRO HD2 H 1 3.388 0.02 . 2 . . . . 60 PRO HD2 . 6749 1 722 . 1 1 60 60 PRO HD3 H 1 3.829 0.02 . 2 . . . . 60 PRO HD3 . 6749 1 723 . 1 1 60 60 PRO C C 13 178.08 0.2 . 1 . . . . 60 PRO C . 6749 1 724 . 1 1 60 60 PRO CA C 13 65.449 0.2 . 1 . . . . 60 PRO CA . 6749 1 725 . 1 1 60 60 PRO CB C 13 31.635 0.2 . 1 . . . . 60 PRO CB . 6749 1 726 . 1 1 60 60 PRO CG C 13 27.567 0.2 . 1 . . . . 60 PRO CG . 6749 1 727 . 1 1 60 60 PRO CD C 13 50.423 0.2 . 1 . . . . 60 PRO CD . 6749 1 728 . 1 1 61 61 ASP H H 1 8.733 0.02 . 1 . . . . 61 ASP H . 6749 1 729 . 1 1 61 61 ASP HA H 1 4.394 0.02 . 1 . . . . 61 ASP HA . 6749 1 730 . 1 1 61 61 ASP HB2 H 1 2.67 0.02 . 2 . . . . 61 ASP HB2 . 6749 1 731 . 1 1 61 61 ASP HB3 H 1 2.877 0.02 . 2 . . . . 61 ASP HB3 . 6749 1 732 . 1 1 61 61 ASP C C 13 179.657 0.2 . 1 . . . . 61 ASP C . 6749 1 733 . 1 1 61 61 ASP CA C 13 56.56 0.2 . 1 . . . . 61 ASP CA . 6749 1 734 . 1 1 61 61 ASP CB C 13 38.502 0.2 . 1 . . . . 61 ASP CB . 6749 1 735 . 1 1 61 61 ASP N N 15 115.629 0.05 . 1 . . . . 61 ASP N . 6749 1 736 . 1 1 62 62 LEU H H 1 8 0.02 . 1 . . . . 62 LEU H . 6749 1 737 . 1 1 62 62 LEU HA H 1 4.525 0.02 . 1 . . . . 62 LEU HA . 6749 1 738 . 1 1 62 62 LEU HB2 H 1 1.052 0.02 . 2 . . . . 62 LEU HB2 . 6749 1 739 . 1 1 62 62 LEU HB3 H 1 1.847 0.02 . 2 . . . . 62 LEU HB3 . 6749 1 740 . 1 1 62 62 LEU HG H 1 1.573 0.02 . 1 . . . . 62 LEU HG . 6749 1 741 . 1 1 62 62 LEU HD11 H 1 0.105 0.02 . 1 . . . . 62 LEU HD1 . 6749 1 742 . 1 1 62 62 LEU HD12 H 1 0.105 0.02 . 1 . . . . 62 LEU HD1 . 6749 1 743 . 1 1 62 62 LEU HD13 H 1 0.105 0.02 . 1 . . . . 62 LEU HD1 . 6749 1 744 . 1 1 62 62 LEU HD21 H 1 0.434 0.02 . 1 . . . . 62 LEU HD2 . 6749 1 745 . 1 1 62 62 LEU HD22 H 1 0.434 0.02 . 1 . . . . 62 LEU HD2 . 6749 1 746 . 1 1 62 62 LEU HD23 H 1 0.434 0.02 . 1 . . . . 62 LEU HD2 . 6749 1 747 . 1 1 62 62 LEU C C 13 181.229 0.2 . 1 . . . . 62 LEU C . 6749 1 748 . 1 1 62 62 LEU CA C 13 56.484 0.2 . 1 . . . . 62 LEU CA . 6749 1 749 . 1 1 62 62 LEU CB C 13 40.932 0.2 . 1 . . . . 62 LEU CB . 6749 1 750 . 1 1 62 62 LEU CG C 13 29.612 0.2 . 1 . . . . 62 LEU CG . 6749 1 751 . 1 1 62 62 LEU CD1 C 13 26.408 0.2 . 1 . . . . 62 LEU CD1 . 6749 1 752 . 1 1 62 62 LEU CD2 C 13 21.585 0.2 . 1 . . . . 62 LEU CD2 . 6749 1 753 . 1 1 62 62 LEU N N 15 121.989 0.05 . 1 . . . . 62 LEU N . 6749 1 754 . 1 1 63 63 ILE H H 1 7.763 0.02 . 1 . . . . 63 ILE H . 6749 1 755 . 1 1 63 63 ILE HA H 1 3.891 0.02 . 1 . . . . 63 ILE HA . 6749 1 756 . 1 1 63 63 ILE HB H 1 2.348 0.02 . 1 . . . . 63 ILE HB . 6749 1 757 . 1 1 63 63 ILE HG12 H 1 1.092 0.02 . 2 . . . . 63 ILE HG12 . 6749 1 758 . 1 1 63 63 ILE HG13 H 1 2.002 0.02 . 2 . . . . 63 ILE HG13 . 6749 1 759 . 1 1 63 63 ILE HG21 H 1 0.995 0.02 . 1 . . . . 63 ILE HG2 . 6749 1 760 . 1 1 63 63 ILE HG22 H 1 0.995 0.02 . 1 . . . . 63 ILE HG2 . 6749 1 761 . 1 1 63 63 ILE HG23 H 1 0.995 0.02 . 1 . . . . 63 ILE HG2 . 6749 1 762 . 1 1 63 63 ILE HD11 H 1 0.985 0.02 . 1 . . . . 63 ILE HD1 . 6749 1 763 . 1 1 63 63 ILE HD12 H 1 0.985 0.02 . 1 . . . . 63 ILE HD1 . 6749 1 764 . 1 1 63 63 ILE HD13 H 1 0.985 0.02 . 1 . . . . 63 ILE HD1 . 6749 1 765 . 1 1 63 63 ILE C C 13 177.008 0.2 . 1 . . . . 63 ILE C . 6749 1 766 . 1 1 63 63 ILE CA C 13 65.587 0.2 . 1 . . . . 63 ILE CA . 6749 1 767 . 1 1 63 63 ILE CB C 13 36.729 0.2 . 1 . . . . 63 ILE CB . 6749 1 768 . 1 1 63 63 ILE CG1 C 13 29.75 0.2 . 1 . . . . 63 ILE CG1 . 6749 1 769 . 1 1 63 63 ILE CG2 C 13 18.046 0.2 . 1 . . . . 63 ILE CG2 . 6749 1 770 . 1 1 63 63 ILE CD1 C 13 13.249 0.2 . 1 . . . . 63 ILE CD1 . 6749 1 771 . 1 1 63 63 ILE N N 15 124.459 0.05 . 1 . . . . 63 ILE N . 6749 1 772 . 1 1 64 64 VAL H H 1 8.223 0.02 . 1 . . . . 64 VAL H . 6749 1 773 . 1 1 64 64 VAL HA H 1 3.742 0.02 . 1 . . . . 64 VAL HA . 6749 1 774 . 1 1 64 64 VAL HB H 1 2.235 0.02 . 1 . . . . 64 VAL HB . 6749 1 775 . 1 1 64 64 VAL HG11 H 1 1.022 0.02 . 1 . . . . 64 VAL HG1 . 6749 1 776 . 1 1 64 64 VAL HG12 H 1 1.022 0.02 . 1 . . . . 64 VAL HG1 . 6749 1 777 . 1 1 64 64 VAL HG13 H 1 1.022 0.02 . 1 . . . . 64 VAL HG1 . 6749 1 778 . 1 1 64 64 VAL HG21 H 1 1.182 0.02 . 1 . . . . 64 VAL HG2 . 6749 1 779 . 1 1 64 64 VAL HG22 H 1 1.182 0.02 . 1 . . . . 64 VAL HG2 . 6749 1 780 . 1 1 64 64 VAL HG23 H 1 1.182 0.02 . 1 . . . . 64 VAL HG2 . 6749 1 781 . 1 1 64 64 VAL C C 13 180.397 0.2 . 1 . . . . 64 VAL C . 6749 1 782 . 1 1 64 64 VAL CA C 13 66.955 0.2 . 1 . . . . 64 VAL CA . 6749 1 783 . 1 1 64 64 VAL CB C 13 31.871 0.2 . 1 . . . . 64 VAL CB . 6749 1 784 . 1 1 64 64 VAL CG1 C 13 21.201 0.2 . 1 . . . . 64 VAL CG1 . 6749 1 785 . 1 1 64 64 VAL CG2 C 13 22.935 0.2 . 1 . . . . 64 VAL CG2 . 6749 1 786 . 1 1 64 64 VAL N N 15 119.882 0.05 . 1 . . . . 64 VAL N . 6749 1 787 . 1 1 65 65 GLY H H 1 8.061 0.02 . 1 . . . . 65 GLY H . 6749 1 788 . 1 1 65 65 GLY HA3 H 1 3.962 0.02 . 2 . . . . 65 GLY HA3 . 6749 1 789 . 1 1 65 65 GLY C C 13 175.41 0.2 . 1 . . . . 65 GLY C . 6749 1 790 . 1 1 65 65 GLY CA C 13 47.279 0.2 . 1 . . . . 65 GLY CA . 6749 1 791 . 1 1 65 65 GLY N N 15 104.673 0.05 . 1 . . . . 65 GLY N . 6749 1 792 . 1 1 66 66 PHE H H 1 7.818 0.02 . 1 . . . . 66 PHE H . 6749 1 793 . 1 1 66 66 PHE HA H 1 3.839 0.02 . 1 . . . . 66 PHE HA . 6749 1 794 . 1 1 66 66 PHE HB3 H 1 3.266 0.02 . 2 . . . . 66 PHE HB3 . 6749 1 795 . 1 1 66 66 PHE HD1 H 1 7.295 0.02 . 3 . . . . 66 PHE HD1 . 6749 1 796 . 1 1 66 66 PHE HE1 H 1 7.048 0.02 . 3 . . . . 66 PHE HE1 . 6749 1 797 . 1 1 66 66 PHE HZ H 1 6.783 0.02 . 1 . . . . 66 PHE HZ . 6749 1 798 . 1 1 66 66 PHE C C 13 176.682 0.2 . 1 . . . . 66 PHE C . 6749 1 799 . 1 1 66 66 PHE CA C 13 60.924 0.2 . 1 . . . . 66 PHE CA . 6749 1 800 . 1 1 66 66 PHE CB C 13 38.988 0.2 . 1 . . . . 66 PHE CB . 6749 1 801 . 1 1 66 66 PHE CD1 C 13 132.025 0.2 . 3 . . . . 66 PHE CD1 . 6749 1 802 . 1 1 66 66 PHE CE1 C 13 129.79 0.2 . 3 . . . . 66 PHE CE1 . 6749 1 803 . 1 1 66 66 PHE CZ C 13 131.121 0.2 . 1 . . . . 66 PHE CZ . 6749 1 804 . 1 1 66 66 PHE N N 15 123.531 0.05 . 1 . . . . 66 PHE N . 6749 1 805 . 1 1 67 67 ASN H H 1 8.003 0.02 . 1 . . . . 67 ASN H . 6749 1 806 . 1 1 67 67 ASN HA H 1 4.449 0.02 . 1 . . . . 67 ASN HA . 6749 1 807 . 1 1 67 67 ASN HB2 H 1 2.639 0.02 . 2 . . . . 67 ASN HB2 . 6749 1 808 . 1 1 67 67 ASN HB3 H 1 3.228 0.02 . 2 . . . . 67 ASN HB3 . 6749 1 809 . 1 1 67 67 ASN C C 13 177.355 0.2 . 1 . . . . 67 ASN C . 6749 1 810 . 1 1 67 67 ASN CA C 13 54.821 0.2 . 1 . . . . 67 ASN CA . 6749 1 811 . 1 1 67 67 ASN CB C 13 38.577 0.2 . 1 . . . . 67 ASN CB . 6749 1 812 . 1 1 67 67 ASN N N 15 114.962 0.05 . 1 . . . . 67 ASN N . 6749 1 813 . 1 1 68 68 ALA H H 1 6.966 0.02 . 1 . . . . 68 ALA H . 6749 1 814 . 1 1 68 68 ALA HA H 1 3.888 0.02 . 1 . . . . 68 ALA HA . 6749 1 815 . 1 1 68 68 ALA HB1 H 1 0.929 0.02 . 1 . . . . 68 ALA HB . 6749 1 816 . 1 1 68 68 ALA HB2 H 1 0.929 0.02 . 1 . . . . 68 ALA HB . 6749 1 817 . 1 1 68 68 ALA HB3 H 1 0.929 0.02 . 1 . . . . 68 ALA HB . 6749 1 818 . 1 1 68 68 ALA C C 13 177.864 0.2 . 1 . . . . 68 ALA C . 6749 1 819 . 1 1 68 68 ALA CA C 13 53.904 0.2 . 1 . . . . 68 ALA CA . 6749 1 820 . 1 1 68 68 ALA CB C 13 17.997 0.2 . 1 . . . . 68 ALA CB . 6749 1 821 . 1 1 68 68 ALA N N 15 119.466 0.05 . 1 . . . . 68 ALA N . 6749 1 822 . 1 1 69 69 PHE H H 1 7.638 0.02 . 1 . . . . 69 PHE H . 6749 1 823 . 1 1 69 69 PHE HA H 1 3.997 0.02 . 1 . . . . 69 PHE HA . 6749 1 824 . 1 1 69 69 PHE HB2 H 1 2.258 0.02 . 2 . . . . 69 PHE HB2 . 6749 1 825 . 1 1 69 69 PHE HB3 H 1 2.972 0.02 . 2 . . . . 69 PHE HB3 . 6749 1 826 . 1 1 69 69 PHE HD1 H 1 7.051 0.02 . 3 . . . . 69 PHE HD1 . 6749 1 827 . 1 1 69 69 PHE HE1 H 1 6.764 0.02 . 3 . . . . 69 PHE HE1 . 6749 1 828 . 1 1 69 69 PHE HZ H 1 6.996 0.02 . 1 . . . . 69 PHE HZ . 6749 1 829 . 1 1 69 69 PHE C C 13 173.624 0.2 . 1 . . . . 69 PHE C . 6749 1 830 . 1 1 69 69 PHE CA C 13 57.649 0.2 . 1 . . . . 69 PHE CA . 6749 1 831 . 1 1 69 69 PHE CB C 13 38.299 0.2 . 1 . . . . 69 PHE CB . 6749 1 832 . 1 1 69 69 PHE CD1 C 13 129.79 0.2 . 3 . . . . 69 PHE CD1 . 6749 1 833 . 1 1 69 69 PHE CE1 C 13 131.121 0.2 . 3 . . . . 69 PHE CE1 . 6749 1 834 . 1 1 69 69 PHE N N 15 113.385 0.05 . 1 . . . . 69 PHE N . 6749 1 835 . 1 1 70 70 LEU H H 1 7.161 0.02 . 1 . . . . 70 LEU H . 6749 1 836 . 1 1 70 70 LEU HA H 1 4.621 0.02 . 1 . . . . 70 LEU HA . 6749 1 837 . 1 1 70 70 LEU HB2 H 1 1.297 0.02 . 2 . . . . 70 LEU HB2 . 6749 1 838 . 1 1 70 70 LEU HB3 H 1 1.834 0.02 . 2 . . . . 70 LEU HB3 . 6749 1 839 . 1 1 70 70 LEU HG H 1 1.566 0.02 . 1 . . . . 70 LEU HG . 6749 1 840 . 1 1 70 70 LEU HD11 H 1 1.115 0.02 . 1 . . . . 70 LEU HD1 . 6749 1 841 . 1 1 70 70 LEU HD12 H 1 1.115 0.02 . 1 . . . . 70 LEU HD1 . 6749 1 842 . 1 1 70 70 LEU HD13 H 1 1.115 0.02 . 1 . . . . 70 LEU HD1 . 6749 1 843 . 1 1 70 70 LEU HD21 H 1 0.643 0.02 . 1 . . . . 70 LEU HD2 . 6749 1 844 . 1 1 70 70 LEU HD22 H 1 0.643 0.02 . 1 . . . . 70 LEU HD2 . 6749 1 845 . 1 1 70 70 LEU HD23 H 1 0.643 0.02 . 1 . . . . 70 LEU HD2 . 6749 1 846 . 1 1 70 70 LEU C C 13 174.775 0.2 . 1 . . . . 70 LEU C . 6749 1 847 . 1 1 70 70 LEU CA C 13 51.399 0.2 . 1 . . . . 70 LEU CA . 6749 1 848 . 1 1 70 70 LEU CB C 13 42.433 0.2 . 1 . . . . 70 LEU CB . 6749 1 849 . 1 1 70 70 LEU CG C 13 26.144 0.2 . 1 . . . . 70 LEU CG . 6749 1 850 . 1 1 70 70 LEU CD1 C 13 25.742 0.2 . 1 . . . . 70 LEU CD1 . 6749 1 851 . 1 1 70 70 LEU CD2 C 13 23.095 0.2 . 1 . . . . 70 LEU CD2 . 6749 1 852 . 1 1 70 70 LEU N N 15 118.033 0.05 . 1 . . . . 70 LEU N . 6749 1 853 . 1 1 71 71 PRO HA H 1 4.66 0.02 . 1 . . . . 71 PRO HA . 6749 1 854 . 1 1 71 71 PRO HB2 H 1 2.099 0.02 . 2 . . . . 71 PRO HB2 . 6749 1 855 . 1 1 71 71 PRO HB3 H 1 2.572 0.02 . 2 . . . . 71 PRO HB3 . 6749 1 856 . 1 1 71 71 PRO HG2 H 1 2.114 0.02 . 2 . . . . 71 PRO HG2 . 6749 1 857 . 1 1 71 71 PRO HG3 H 1 2.279 0.02 . 2 . . . . 71 PRO HG3 . 6749 1 858 . 1 1 71 71 PRO HD2 H 1 3.461 0.02 . 2 . . . . 71 PRO HD2 . 6749 1 859 . 1 1 71 71 PRO HD3 H 1 3.891 0.02 . 2 . . . . 71 PRO HD3 . 6749 1 860 . 1 1 71 71 PRO C C 13 176.696 0.2 . 1 . . . . 71 PRO C . 6749 1 861 . 1 1 71 71 PRO CA C 13 62.165 0.2 . 1 . . . . 71 PRO CA . 6749 1 862 . 1 1 71 71 PRO CB C 13 32.31 0.2 . 1 . . . . 71 PRO CB . 6749 1 863 . 1 1 71 71 PRO CG C 13 27.604 0.2 . 1 . . . . 71 PRO CG . 6749 1 864 . 1 1 71 71 PRO CD C 13 50.055 0.2 . 1 . . . . 71 PRO CD . 6749 1 865 . 1 1 72 72 LEU H H 1 8.545 0.02 . 1 . . . . 72 LEU H . 6749 1 866 . 1 1 72 72 LEU HA H 1 3.932 0.02 . 1 . . . . 72 LEU HA . 6749 1 867 . 1 1 72 72 LEU HB3 H 1 1.625 0.02 . 2 . . . . 72 LEU HB3 . 6749 1 868 . 1 1 72 72 LEU HG H 1 1.666 0.02 . 1 . . . . 72 LEU HG . 6749 1 869 . 1 1 72 72 LEU HD11 H 1 0.957 0.02 . 1 . . . . 72 LEU HD1 . 6749 1 870 . 1 1 72 72 LEU HD12 H 1 0.957 0.02 . 1 . . . . 72 LEU HD1 . 6749 1 871 . 1 1 72 72 LEU HD13 H 1 0.957 0.02 . 1 . . . . 72 LEU HD1 . 6749 1 872 . 1 1 72 72 LEU HD21 H 1 0.912 0.02 . 1 . . . . 72 LEU HD2 . 6749 1 873 . 1 1 72 72 LEU HD22 H 1 0.912 0.02 . 1 . . . . 72 LEU HD2 . 6749 1 874 . 1 1 72 72 LEU HD23 H 1 0.912 0.02 . 1 . . . . 72 LEU HD2 . 6749 1 875 . 1 1 72 72 LEU C C 13 178.735 0.2 . 1 . . . . 72 LEU C . 6749 1 876 . 1 1 72 72 LEU CA C 13 57.849 0.2 . 1 . . . . 72 LEU CA . 6749 1 877 . 1 1 72 72 LEU CB C 13 41.864 0.2 . 1 . . . . 72 LEU CB . 6749 1 878 . 1 1 72 72 LEU CG C 13 25.323 0.2 . 1 . . . . 72 LEU CG . 6749 1 879 . 1 1 72 72 LEU CD1 C 13 24.459 0.2 . 1 . . . . 72 LEU CD1 . 6749 1 880 . 1 1 72 72 LEU CD2 C 13 24.306 0.2 . 1 . . . . 72 LEU CD2 . 6749 1 881 . 1 1 72 72 LEU N N 15 121.853 0.05 . 1 . . . . 72 LEU N . 6749 1 882 . 1 1 73 73 GLY H H 1 8.827 0.02 . 1 . . . . 73 GLY H . 6749 1 883 . 1 1 73 73 GLY HA2 H 1 3.906 0.02 . 2 . . . . 73 GLY HA2 . 6749 1 884 . 1 1 73 73 GLY HA3 H 1 3.677 0.02 . 2 . . . . 73 GLY HA3 . 6749 1 885 . 1 1 73 73 GLY C C 13 174.289 0.2 . 1 . . . . 73 GLY C . 6749 1 886 . 1 1 73 73 GLY CA C 13 45.185 0.2 . 1 . . . . 73 GLY CA . 6749 1 887 . 1 1 73 73 GLY N N 15 108.359 0.05 . 1 . . . . 73 GLY N . 6749 1 888 . 1 1 74 74 TYR H H 1 7.915 0.02 . 1 . . . . 74 TYR H . 6749 1 889 . 1 1 74 74 TYR HA H 1 4.758 0.02 . 1 . . . . 74 TYR HA . 6749 1 890 . 1 1 74 74 TYR HB2 H 1 2.675 0.02 . 2 . . . . 74 TYR HB2 . 6749 1 891 . 1 1 74 74 TYR HB3 H 1 3.23 0.02 . 2 . . . . 74 TYR HB3 . 6749 1 892 . 1 1 74 74 TYR HD1 H 1 7.018 0.02 . 3 . . . . 74 TYR HD1 . 6749 1 893 . 1 1 74 74 TYR HE1 H 1 6.856 0.02 . 3 . . . . 74 TYR HE1 . 6749 1 894 . 1 1 74 74 TYR C C 13 174.486 0.2 . 1 . . . . 74 TYR C . 6749 1 895 . 1 1 74 74 TYR CA C 13 56.917 0.2 . 1 . . . . 74 TYR CA . 6749 1 896 . 1 1 74 74 TYR CB C 13 40.375 0.2 . 1 . . . . 74 TYR CB . 6749 1 897 . 1 1 74 74 TYR CD1 C 13 132.41 0.2 . 3 . . . . 74 TYR CD1 . 6749 1 898 . 1 1 74 74 TYR CE1 C 13 118.195 0.2 . 3 . . . . 74 TYR CE1 . 6749 1 899 . 1 1 74 74 TYR N N 15 118.334 0.05 . 1 . . . . 74 TYR N . 6749 1 900 . 1 1 75 75 ARG H H 1 7.627 0.02 . 1 . . . . 75 ARG H . 6749 1 901 . 1 1 75 75 ARG HA H 1 4.231 0.02 . 1 . . . . 75 ARG HA . 6749 1 902 . 1 1 75 75 ARG HB3 H 1 1.7 0.02 . 2 . . . . 75 ARG HB3 . 6749 1 903 . 1 1 75 75 ARG HG2 H 1 1.574 0.02 . 2 . . . . 75 ARG HG2 . 6749 1 904 . 1 1 75 75 ARG HG3 H 1 1.707 0.02 . 2 . . . . 75 ARG HG3 . 6749 1 905 . 1 1 75 75 ARG HD3 H 1 3.123 0.02 . 2 . . . . 75 ARG HD3 . 6749 1 906 . 1 1 75 75 ARG C C 13 175.568 0.2 . 1 . . . . 75 ARG C . 6749 1 907 . 1 1 75 75 ARG CA C 13 56.814 0.2 . 1 . . . . 75 ARG CA . 6749 1 908 . 1 1 75 75 ARG CB C 13 31.523 0.2 . 1 . . . . 75 ARG CB . 6749 1 909 . 1 1 75 75 ARG CG C 13 28.044 0.2 . 1 . . . . 75 ARG CG . 6749 1 910 . 1 1 75 75 ARG CD C 13 43.652 0.2 . 1 . . . . 75 ARG CD . 6749 1 911 . 1 1 75 75 ARG N N 15 119.129 0.05 . 1 . . . . 75 ARG N . 6749 1 912 . 1 1 76 76 ILE H H 1 9.164 0.02 . 1 . . . . 76 ILE H . 6749 1 913 . 1 1 76 76 ILE HA H 1 4.08 0.02 . 1 . . . . 76 ILE HA . 6749 1 914 . 1 1 76 76 ILE HB H 1 1.806 0.02 . 1 . . . . 76 ILE HB . 6749 1 915 . 1 1 76 76 ILE HG12 H 1 1.114 0.02 . 2 . . . . 76 ILE HG12 . 6749 1 916 . 1 1 76 76 ILE HG13 H 1 1.803 0.02 . 2 . . . . 76 ILE HG13 . 6749 1 917 . 1 1 76 76 ILE HG21 H 1 1.004 0.02 . 1 . . . . 76 ILE HG2 . 6749 1 918 . 1 1 76 76 ILE HG22 H 1 1.004 0.02 . 1 . . . . 76 ILE HG2 . 6749 1 919 . 1 1 76 76 ILE HG23 H 1 1.004 0.02 . 1 . . . . 76 ILE HG2 . 6749 1 920 . 1 1 76 76 ILE HD11 H 1 0.982 0.02 . 1 . . . . 76 ILE HD1 . 6749 1 921 . 1 1 76 76 ILE HD12 H 1 0.982 0.02 . 1 . . . . 76 ILE HD1 . 6749 1 922 . 1 1 76 76 ILE HD13 H 1 0.982 0.02 . 1 . . . . 76 ILE HD1 . 6749 1 923 . 1 1 76 76 ILE C C 13 176.161 0.2 . 1 . . . . 76 ILE C . 6749 1 924 . 1 1 76 76 ILE CA C 13 61.28 0.2 . 1 . . . . 76 ILE CA . 6749 1 925 . 1 1 76 76 ILE CB C 13 39.406 0.2 . 1 . . . . 76 ILE CB . 6749 1 926 . 1 1 76 76 ILE CG1 C 13 28.24 0.2 . 1 . . . . 76 ILE CG1 . 6749 1 927 . 1 1 76 76 ILE CG2 C 13 17.897 0.2 . 1 . . . . 76 ILE CG2 . 6749 1 928 . 1 1 76 76 ILE CD1 C 13 14.681 0.2 . 1 . . . . 76 ILE CD1 . 6749 1 929 . 1 1 76 76 ILE N N 15 124.174 0.05 . 1 . . . . 76 ILE N . 6749 1 930 . 1 1 77 77 ASP H H 1 8.653 0.02 . 1 . . . . 77 ASP H . 6749 1 931 . 1 1 77 77 ASP HA H 1 4.625 0.02 . 1 . . . . 77 ASP HA . 6749 1 932 . 1 1 77 77 ASP HB3 H 1 2.528 0.02 . 2 . . . . 77 ASP HB3 . 6749 1 933 . 1 1 77 77 ASP C C 13 175.197 0.2 . 1 . . . . 77 ASP C . 6749 1 934 . 1 1 77 77 ASP CA C 13 54.072 0.2 . 1 . . . . 77 ASP CA . 6749 1 935 . 1 1 77 77 ASP CB C 13 41.642 0.2 . 1 . . . . 77 ASP CB . 6749 1 936 . 1 1 77 77 ASP N N 15 127.33 0.05 . 1 . . . . 77 ASP N . 6749 1 937 . 1 1 78 78 ILE H H 1 8.216 0.02 . 1 . . . . 78 ILE H . 6749 1 938 . 1 1 78 78 ILE HA H 1 4.417 0.02 . 1 . . . . 78 ILE HA . 6749 1 939 . 1 1 78 78 ILE HB H 1 1.925 0.02 . 1 . . . . 78 ILE HB . 6749 1 940 . 1 1 78 78 ILE HG12 H 1 1.31 0.02 . 2 . . . . 78 ILE HG12 . 6749 1 941 . 1 1 78 78 ILE HG13 H 1 1.541 0.02 . 2 . . . . 78 ILE HG13 . 6749 1 942 . 1 1 78 78 ILE HG21 H 1 1.001 0.02 . 1 . . . . 78 ILE HG2 . 6749 1 943 . 1 1 78 78 ILE HG22 H 1 1.001 0.02 . 1 . . . . 78 ILE HG2 . 6749 1 944 . 1 1 78 78 ILE HG23 H 1 1.001 0.02 . 1 . . . . 78 ILE HG2 . 6749 1 945 . 1 1 78 78 ILE HD11 H 1 0.895 0.02 . 1 . . . . 78 ILE HD1 . 6749 1 946 . 1 1 78 78 ILE HD12 H 1 0.895 0.02 . 1 . . . . 78 ILE HD1 . 6749 1 947 . 1 1 78 78 ILE HD13 H 1 0.895 0.02 . 1 . . . . 78 ILE HD1 . 6749 1 948 . 1 1 78 78 ILE C C 13 174.618 0.2 . 1 . . . . 78 ILE C . 6749 1 949 . 1 1 78 78 ILE CA C 13 58.246 0.2 . 1 . . . . 78 ILE CA . 6749 1 950 . 1 1 78 78 ILE CB C 13 38.185 0.2 . 1 . . . . 78 ILE CB . 6749 1 951 . 1 1 78 78 ILE CG1 C 13 27.102 0.2 . 1 . . . . 78 ILE CG1 . 6749 1 952 . 1 1 78 78 ILE CG2 C 13 17.513 0.2 . 1 . . . . 78 ILE CG2 . 6749 1 953 . 1 1 78 78 ILE CD1 C 13 12.638 0.2 . 1 . . . . 78 ILE CD1 . 6749 1 954 . 1 1 78 78 ILE N N 15 123.604 0.05 . 1 . . . . 78 ILE N . 6749 1 955 . 1 1 79 79 PRO HA H 1 4.434 0.02 . 1 . . . . 79 PRO HA . 6749 1 956 . 1 1 79 79 PRO HB2 H 1 1.954 0.02 . 2 . . . . 79 PRO HB2 . 6749 1 957 . 1 1 79 79 PRO HB3 H 1 2.305 0.02 . 2 . . . . 79 PRO HB3 . 6749 1 958 . 1 1 79 79 PRO HG3 H 1 2.063 0.02 . 2 . . . . 79 PRO HG3 . 6749 1 959 . 1 1 79 79 PRO HD2 H 1 3.675 0.02 . 2 . . . . 79 PRO HD2 . 6749 1 960 . 1 1 79 79 PRO HD3 H 1 3.961 0.02 . 2 . . . . 79 PRO HD3 . 6749 1 961 . 1 1 79 79 PRO C C 13 175.73 0.2 . 1 . . . . 79 PRO C . 6749 1 962 . 1 1 79 79 PRO CA C 13 63.481 0.2 . 1 . . . . 79 PRO CA . 6749 1 963 . 1 1 79 79 PRO CB C 13 32.167 0.2 . 1 . . . . 79 PRO CB . 6749 1 964 . 1 1 79 79 PRO CG C 13 27.398 0.2 . 1 . . . . 79 PRO CG . 6749 1 965 . 1 1 79 79 PRO CD C 13 51.19 0.2 . 1 . . . . 79 PRO CD . 6749 1 966 . 1 1 80 80 LYS H H 1 8.011 0.02 . 1 . . . . 80 LYS H . 6749 1 967 . 1 1 80 80 LYS HA H 1 4.175 0.02 . 1 . . . . 80 LYS HA . 6749 1 968 . 1 1 80 80 LYS HB2 H 1 1.733 0.02 . 2 . . . . 80 LYS HB2 . 6749 1 969 . 1 1 80 80 LYS HB3 H 1 1.839 0.02 . 2 . . . . 80 LYS HB3 . 6749 1 970 . 1 1 80 80 LYS HG3 H 1 1.461 0.02 . 2 . . . . 80 LYS HG3 . 6749 1 971 . 1 1 80 80 LYS HD3 H 1 1.695 0.02 . 2 . . . . 80 LYS HD3 . 6749 1 972 . 1 1 80 80 LYS HE3 H 1 3.023 0.02 . 2 . . . . 80 LYS HE3 . 6749 1 973 . 1 1 80 80 LYS CA C 13 57.567 0.2 . 1 . . . . 80 LYS CA . 6749 1 974 . 1 1 80 80 LYS CB C 13 33.808 0.2 . 1 . . . . 80 LYS CB . 6749 1 975 . 1 1 80 80 LYS CG C 13 24.72 0.2 . 1 . . . . 80 LYS CG . 6749 1 976 . 1 1 80 80 LYS CD C 13 28.953 0.2 . 1 . . . . 80 LYS CD . 6749 1 977 . 1 1 80 80 LYS CE C 13 41.974 0.2 . 1 . . . . 80 LYS CE . 6749 1 978 . 1 1 80 80 LYS N N 15 126.892 0.05 . 1 . . . . 80 LYS N . 6749 1 979 . 2 2 1 1 ALA H H 1 8.53 0.02 . 1 . . . . 1 ALA H . 6749 1 980 . 2 2 1 1 ALA HA H 1 4.376 0.02 . 1 . . . . 1 ALA HA . 6749 1 981 . 2 2 1 1 ALA HB1 H 1 1.464 0.02 . 1 . . . . 1 ALA HB . 6749 1 982 . 2 2 1 1 ALA HB2 H 1 1.464 0.02 . 1 . . . . 1 ALA HB . 6749 1 983 . 2 2 1 1 ALA HB3 H 1 1.464 0.02 . 1 . . . . 1 ALA HB . 6749 1 984 . 2 2 2 2 PRO HA H 1 4.989 0.02 . 1 . . . . 2 PRO HA . 6749 1 985 . 2 2 2 2 PRO HB3 H 1 1.458 0.02 . 2 . . . . 2 PRO HB3 . 6749 1 986 . 2 2 2 2 PRO HG3 H 1 2.132 0.02 . 2 . . . . 2 PRO HG3 . 6749 1 987 . 2 2 2 2 PRO HD2 H 1 3.567 0.02 . 2 . . . . 2 PRO HD2 . 6749 1 988 . 2 2 2 2 PRO HD3 H 1 3.78 0.02 . 2 . . . . 2 PRO HD3 . 6749 1 989 . 2 2 3 3 GLN H H 1 8.662 0.02 . 1 . . . . 3 GLN H . 6749 1 990 . 2 2 3 3 GLN HA H 1 4.34 0.02 . 1 . . . . 3 GLN HA . 6749 1 991 . 2 2 3 3 GLN HB2 H 1 2.032 0.02 . 2 . . . . 3 GLN HB2 . 6749 1 992 . 2 2 3 3 GLN HB3 H 1 2.133 0.02 . 2 . . . . 3 GLN HB3 . 6749 1 993 . 2 2 3 3 GLN HG3 H 1 2.41 0.02 . 2 . . . . 3 GLN HG3 . 6749 1 994 . 2 2 3 3 GLN HE21 H 1 7.629 0.02 . 2 . . . . 3 GLN HE21 . 6749 1 995 . 2 2 3 3 GLN HE22 H 1 6.874 0.02 . 2 . . . . 3 GLN HE22 . 6749 1 996 . 2 2 4 4 LEU H H 1 7.539 0.02 . 1 . . . . 4 LEU H . 6749 1 997 . 2 2 4 4 LEU HA H 1 4.272 0.02 . 1 . . . . 4 LEU HA . 6749 1 998 . 2 2 4 4 LEU HB2 H 1 1.455 0.02 . 2 . . . . 4 LEU HB2 . 6749 1 999 . 2 2 4 4 LEU HB3 H 1 1.939 0.02 . 2 . . . . 4 LEU HB3 . 6749 1 1000 . 2 2 4 4 LEU HG H 1 1.276 0.02 . 1 . . . . 4 LEU HG . 6749 1 1001 . 2 2 4 4 LEU HD11 H 1 0.304 0.02 . 1 . . . . 4 LEU HD1 . 6749 1 1002 . 2 2 4 4 LEU HD12 H 1 0.304 0.02 . 1 . . . . 4 LEU HD1 . 6749 1 1003 . 2 2 4 4 LEU HD13 H 1 0.304 0.02 . 1 . . . . 4 LEU HD1 . 6749 1 1004 . 2 2 4 4 LEU HD21 H 1 0.65 0.02 . 1 . . . . 4 LEU HD2 . 6749 1 1005 . 2 2 4 4 LEU HD22 H 1 0.65 0.02 . 1 . . . . 4 LEU HD2 . 6749 1 1006 . 2 2 4 4 LEU HD23 H 1 0.65 0.02 . 1 . . . . 4 LEU HD2 . 6749 1 1007 . 2 2 5 5 ILE H H 1 7.94 0.02 . 1 . . . . 5 ILE H . 6749 1 1008 . 2 2 5 5 ILE HA H 1 3.925 0.02 . 1 . . . . 5 ILE HA . 6749 1 1009 . 2 2 5 5 ILE HB H 1 2.081 0.02 . 1 . . . . 5 ILE HB . 6749 1 1010 . 2 2 5 5 ILE HG12 H 1 1.353 0.02 . 2 . . . . 5 ILE HG12 . 6749 1 1011 . 2 2 5 5 ILE HG13 H 1 1.813 0.02 . 2 . . . . 5 ILE HG13 . 6749 1 1012 . 2 2 5 5 ILE HG21 H 1 0.989 0.02 . 1 . . . . 5 ILE HG2 . 6749 1 1013 . 2 2 5 5 ILE HG22 H 1 0.989 0.02 . 1 . . . . 5 ILE HG2 . 6749 1 1014 . 2 2 5 5 ILE HG23 H 1 0.989 0.02 . 1 . . . . 5 ILE HG2 . 6749 1 1015 . 2 2 5 5 ILE HD11 H 1 0.866 0.02 . 1 . . . . 5 ILE HD1 . 6749 1 1016 . 2 2 5 5 ILE HD12 H 1 0.866 0.02 . 1 . . . . 5 ILE HD1 . 6749 1 1017 . 2 2 5 5 ILE HD13 H 1 0.866 0.02 . 1 . . . . 5 ILE HD1 . 6749 1 1018 . 2 2 6 6 MET H H 1 7.533 0.02 . 1 . . . . 6 MET H . 6749 1 1019 . 2 2 6 6 MET HA H 1 4.237 0.02 . 1 . . . . 6 MET HA . 6749 1 1020 . 2 2 6 6 MET HB2 H 1 2.237 0.02 . 2 . . . . 6 MET HB2 . 6749 1 1021 . 2 2 6 6 MET HB3 H 1 2.433 0.02 . 2 . . . . 6 MET HB3 . 6749 1 1022 . 2 2 6 6 MET HG3 H 1 2.801 0.02 . 2 . . . . 6 MET HG3 . 6749 1 1023 . 2 2 6 6 MET HE1 H 1 2.201 0.02 . 1 . . . . 6 MET HE . 6749 1 1024 . 2 2 6 6 MET HE2 H 1 2.201 0.02 . 1 . . . . 6 MET HE . 6749 1 1025 . 2 2 6 6 MET HE3 H 1 2.201 0.02 . 1 . . . . 6 MET HE . 6749 1 1026 . 2 2 7 7 LEU H H 1 7.846 0.02 . 1 . . . . 7 LEU H . 6749 1 1027 . 2 2 7 7 LEU HA H 1 3.797 0.02 . 1 . . . . 7 LEU HA . 6749 1 1028 . 2 2 7 7 LEU HB2 H 1 1.614 0.02 . 2 . . . . 7 LEU HB2 . 6749 1 1029 . 2 2 7 7 LEU HB3 H 1 1.964 0.02 . 2 . . . . 7 LEU HB3 . 6749 1 1030 . 2 2 7 7 LEU HG H 1 1.164 0.02 . 1 . . . . 7 LEU HG . 6749 1 1031 . 2 2 7 7 LEU HD11 H 1 0.578 0.02 . 1 . . . . 7 LEU HD1 . 6749 1 1032 . 2 2 7 7 LEU HD12 H 1 0.578 0.02 . 1 . . . . 7 LEU HD1 . 6749 1 1033 . 2 2 7 7 LEU HD13 H 1 0.578 0.02 . 1 . . . . 7 LEU HD1 . 6749 1 1034 . 2 2 7 7 LEU HD21 H 1 0.595 0.02 . 1 . . . . 7 LEU HD2 . 6749 1 1035 . 2 2 7 7 LEU HD22 H 1 0.595 0.02 . 1 . . . . 7 LEU HD2 . 6749 1 1036 . 2 2 7 7 LEU HD23 H 1 0.595 0.02 . 1 . . . . 7 LEU HD2 . 6749 1 1037 . 2 2 8 8 ALA H H 1 8.52 0.02 . 1 . . . . 8 ALA H . 6749 1 1038 . 2 2 8 8 ALA HA H 1 3.827 0.02 . 1 . . . . 8 ALA HA . 6749 1 1039 . 2 2 8 8 ALA HB1 H 1 1.66 0.02 . 1 . . . . 8 ALA HB . 6749 1 1040 . 2 2 8 8 ALA HB2 H 1 1.66 0.02 . 1 . . . . 8 ALA HB . 6749 1 1041 . 2 2 8 8 ALA HB3 H 1 1.66 0.02 . 1 . . . . 8 ALA HB . 6749 1 1042 . 2 2 9 9 ASN H H 1 8.389 0.02 . 1 . . . . 9 ASN H . 6749 1 1043 . 2 2 9 9 ASN HA H 1 4.415 0.02 . 1 . . . . 9 ASN HA . 6749 1 1044 . 2 2 9 9 ASN HB2 H 1 2.799 0.02 . 2 . . . . 9 ASN HB2 . 6749 1 1045 . 2 2 9 9 ASN HB3 H 1 3.083 0.02 . 2 . . . . 9 ASN HB3 . 6749 1 1046 . 2 2 9 9 ASN HD21 H 1 7.556 0.02 . 2 . . . . 9 ASN HD21 . 6749 1 1047 . 2 2 9 9 ASN HD22 H 1 7.042 0.02 . 2 . . . . 9 ASN HD22 . 6749 1 1048 . 2 2 10 10 VAL H H 1 8.543 0.02 . 1 . . . . 10 VAL H . 6749 1 1049 . 2 2 10 10 VAL HA H 1 3.746 0.02 . 1 . . . . 10 VAL HA . 6749 1 1050 . 2 2 10 10 VAL HB H 1 2.131 0.02 . 1 . . . . 10 VAL HB . 6749 1 1051 . 2 2 10 10 VAL HG11 H 1 0.947 0.02 . 1 . . . . 10 VAL HG1 . 6749 1 1052 . 2 2 10 10 VAL HG12 H 1 0.947 0.02 . 1 . . . . 10 VAL HG1 . 6749 1 1053 . 2 2 10 10 VAL HG13 H 1 0.947 0.02 . 1 . . . . 10 VAL HG1 . 6749 1 1054 . 2 2 10 10 VAL HG21 H 1 1.154 0.02 . 1 . . . . 10 VAL HG2 . 6749 1 1055 . 2 2 10 10 VAL HG22 H 1 1.154 0.02 . 1 . . . . 10 VAL HG2 . 6749 1 1056 . 2 2 10 10 VAL HG23 H 1 1.154 0.02 . 1 . . . . 10 VAL HG2 . 6749 1 1057 . 2 2 11 11 ALA H H 1 8.777 0.02 . 1 . . . . 11 ALA H . 6749 1 1058 . 2 2 11 11 ALA HA H 1 4.153 0.02 . 1 . . . . 11 ALA HA . 6749 1 1059 . 2 2 11 11 ALA HB1 H 1 1.49 0.02 . 1 . . . . 11 ALA HB . 6749 1 1060 . 2 2 11 11 ALA HB2 H 1 1.49 0.02 . 1 . . . . 11 ALA HB . 6749 1 1061 . 2 2 11 11 ALA HB3 H 1 1.49 0.02 . 1 . . . . 11 ALA HB . 6749 1 1062 . 2 2 12 12 LEU H H 1 7.691 0.02 . 1 . . . . 12 LEU H . 6749 1 1063 . 2 2 12 12 LEU HA H 1 4.413 0.02 . 1 . . . . 12 LEU HA . 6749 1 1064 . 2 2 12 12 LEU HB3 H 1 1.672 0.02 . 2 . . . . 12 LEU HB3 . 6749 1 1065 . 2 2 12 12 LEU HG H 1 1.818 0.02 . 1 . . . . 12 LEU HG . 6749 1 1066 . 2 2 12 12 LEU HD11 H 1 0.866 0.02 . 1 . . . . 12 LEU HD1 . 6749 1 1067 . 2 2 12 12 LEU HD12 H 1 0.866 0.02 . 1 . . . . 12 LEU HD1 . 6749 1 1068 . 2 2 12 12 LEU HD13 H 1 0.866 0.02 . 1 . . . . 12 LEU HD1 . 6749 1 1069 . 2 2 12 12 LEU HD21 H 1 0.777 0.02 . 1 . . . . 12 LEU HD2 . 6749 1 1070 . 2 2 12 12 LEU HD22 H 1 0.777 0.02 . 1 . . . . 12 LEU HD2 . 6749 1 1071 . 2 2 12 12 LEU HD23 H 1 0.777 0.02 . 1 . . . . 12 LEU HD2 . 6749 1 1072 . 2 2 13 13 THR H H 1 7.75 0.02 . 1 . . . . 13 THR H . 6749 1 1073 . 2 2 13 13 THR HB H 1 4.335 0.02 . 1 . . . . 13 THR HB . 6749 1 1074 . 2 2 13 13 THR HG21 H 1 1.295 0.02 . 1 . . . . 13 THR HG2 . 6749 1 1075 . 2 2 13 13 THR HG22 H 1 1.295 0.02 . 1 . . . . 13 THR HG2 . 6749 1 1076 . 2 2 13 13 THR HG23 H 1 1.295 0.02 . 1 . . . . 13 THR HG2 . 6749 1 1077 . 2 2 14 14 GLY H H 1 8.483 0.02 . 1 . . . . 14 GLY H . 6749 1 1078 . 2 2 14 14 GLY HA2 H 1 3.916 0.02 . 2 . . . . 14 GLY HA2 . 6749 1 1079 . 2 2 14 14 GLY HA3 H 1 4.043 0.02 . 2 . . . . 14 GLY HA3 . 6749 1 1080 . 2 2 15 15 GLU H H 1 7.905 0.02 . 1 . . . . 15 GLU H . 6749 1 1081 . 2 2 15 15 GLU HA H 1 4.151 0.02 . 1 . . . . 15 GLU HA . 6749 1 1082 . 2 2 15 15 GLU HB2 H 1 1.908 0.02 . 2 . . . . 15 GLU HB2 . 6749 1 1083 . 2 2 15 15 GLU HB3 H 1 2.085 0.02 . 2 . . . . 15 GLU HB3 . 6749 1 1084 . 2 2 15 15 GLU HG3 H 1 2.198 0.02 . 2 . . . . 15 GLU HG3 . 6749 1 stop_ save_