data_15543 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15543 _Entry.Title ; Solution conformation of RNA-bound NELF-E RRM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-02 _Entry.Accession_date 2007-11-02 _Entry.Last_release_date 2008-11-03 _Entry.Original_release_date 2008-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'N. Rao' Jampani . . . 15543 2 Kristian Schweimer . . . 15543 3 Sabine Wenzel . . . 15543 4 Birgitta Woehrl . M. . 15543 5 Paul Roesch . . . 15543 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15543 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 224 15543 '15N chemical shifts' 91 15543 '1H chemical shifts' 510 15543 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 . . 2008-11-03 2007-11-02 original author . 15543 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JX2 'BMRB Entry Tracking System' 15543 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15543 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18303858 _Citation.Full_citation . _Citation.Title 'RRMNELF-E RRM Undergoes Major Structural Changes in Flexible Protein Regions on Target RNA Binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 12 _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 3756 _Citation.Page_last 3761 _Citation.Year 2008 _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 'N. Rao' Jampani . . . 15543 1 2 Kristian Schweimer . . . 15543 1 3 Sabine Wenzel . . . 15543 1 4 Birgitta Woehrl . M. . 15543 1 5 Paul Roesch . . . 15543 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15543 _Assembly.ID 1 _Assembly.Name 'rna bound nelfe-rrm' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'NELF E RRM bound to TAR(49-57) RNA' _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 nelfe-rrm 1 $rna_bound_nelfe-rrm A . yes native no no . . . 15543 1 2 TAR(49-57) 2 $TAR(49-57) B . no native no no . . ; TAR(49-57)RNA with the sequence: UAGGGAACC ; 15543 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rna_bound_nelfe-rrm _Entity.Sf_category entity _Entity.Sf_framecode rna_bound_nelfe-rrm _Entity.Entry_ID 15543 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name rna_bound_nelfe-rrm _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MGPFRRSDSFPERRAPRKGN TLYVYGEDMTPTLLRGAFSP FGNIIDLSMDPPRNCAFVTY EKMESADQAVAELNGTQVES VQLKVNIARKQPMLDAATGK S ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9494.886 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2BZ2 . "Solution Structure Of Nelf E Rrm" . . . . . 100.00 121 100.00 100.00 4.84e-84 . . . . 15543 1 2 no PDB 2JX2 . "Solution Conformation Of Rna-Bound Nelf-E Rrm" . . . . . 100.00 121 100.00 100.00 4.84e-84 . . . . 15543 1 3 no DBJ BAB28206 . "unnamed protein product [Mus musculus]" . . . . . 82.64 367 100.00 100.00 2.19e-65 . . . . 15543 1 4 no DBJ BAE20893 . "unnamed protein product [Mus musculus]" . . . . . 82.64 367 100.00 100.00 2.19e-65 . . . . 15543 1 5 no DBJ BAE27605 . "unnamed protein product [Mus musculus]" . . . . . 82.64 367 100.00 100.00 2.19e-65 . . . . 15543 1 6 no DBJ BAG62393 . "unnamed protein product [Homo sapiens]" . . . . . 82.64 350 100.00 100.00 6.51e-66 . . . . 15543 1 7 no DBJ BAG63891 . "unnamed protein product [Homo sapiens]" . . . . . 82.64 387 100.00 100.00 5.51e-65 . . . . 15543 1 8 no EMBL CAA34231 . "unnamed protein product [Homo sapiens]" . . . . . 82.64 325 100.00 100.00 2.30e-65 . . . . 15543 1 9 no EMBL CAE83971 . "RD RNA-binding protein [Rattus norvegicus]" . . . . . 82.64 369 100.00 100.00 1.82e-65 . . . . 15543 1 10 no EMBL CAN87695 . "RD RNA binding protein [Sus scrofa]" . . . . . 82.64 378 99.00 100.00 1.87e-64 . . . . 15543 1 11 no EMBL CAN87696 . "RD RNA binding protein [Sus scrofa]" . . . . . 82.64 373 99.00 100.00 1.85e-64 . . . . 15543 1 12 no GB AAA36308 . "MHC HLA-RD protein, partial [Homo sapiens]" . . . . . 83.47 382 97.03 97.03 1.05e-61 . . . . 15543 1 13 no GB AAA39680 . "42 kd polypeptide (RD), (first expressed exon) [Mus musculus]" . . . . . 82.64 375 100.00 100.00 2.13e-65 . . . . 15543 1 14 no GB AAB67979 . "RD [Homo sapiens]" . . . . . 82.64 380 100.00 100.00 3.49e-65 . . . . 15543 1 15 no GB AAC37523 . "RD protein [Homo sapiens]" . . . . . 82.64 380 100.00 100.00 3.49e-65 . . . . 15543 1 16 no GB AAC84161 . "RD [Mus musculus]" . . . . . 82.64 342 100.00 100.00 1.27e-65 . . . . 15543 1 17 no REF NP_001039328 . "negative elongation factor E [Mus musculus]" . . . . . 82.64 367 100.00 100.00 2.19e-65 . . . . 15543 1 18 no REF NP_001039329 . "negative elongation factor E [Mus musculus]" . . . . . 82.64 367 100.00 100.00 2.19e-65 . . . . 15543 1 19 no REF NP_001069672 . "negative elongation factor E [Bos taurus]" . . . . . 82.64 374 99.00 100.00 1.58e-64 . . . . 15543 1 20 no REF NP_001095295 . "negative elongation factor E [Sus scrofa]" . . . . . 82.64 378 99.00 100.00 1.87e-64 . . . . 15543 1 21 no REF NP_001159373 . "negative elongation factor E [Rattus norvegicus]" . . . . . 82.64 369 100.00 100.00 1.82e-65 . . . . 15543 1 22 no SP P18615 . "RecName: Full=Negative elongation factor E; Short=NELF-E; AltName: Full=RNA-binding protein RD" . . . . . 82.64 380 100.00 100.00 3.49e-65 . . . . 15543 1 23 no SP P19426 . "RecName: Full=Negative elongation factor E; Short=NELF-E; AltName: Full=RNA-binding protein RD" . . . . . 82.64 375 100.00 100.00 2.11e-65 . . . . 15543 1 24 no SP Q0V898 . "RecName: Full=Negative elongation factor E; Short=NELF-E; AltName: Full=RNA-binding protein RD" . . . . . 82.64 374 99.00 100.00 1.58e-64 . . . . 15543 1 25 no TPG DAA16391 . "TPA: negative elongation factor E [Bos taurus]" . . . . . 82.64 374 99.00 100.00 1.58e-64 . . . . 15543 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15543 1 2 . GLY . 15543 1 3 . SER . 15543 1 4 . SER . 15543 1 5 . HIS . 15543 1 6 . HIS . 15543 1 7 . HIS . 15543 1 8 . HIS . 15543 1 9 . HIS . 15543 1 10 . HIS . 15543 1 11 . SER . 15543 1 12 . SER . 15543 1 13 . GLY . 15543 1 14 . LEU . 15543 1 15 . VAL . 15543 1 16 . PRO . 15543 1 17 . ARG . 15543 1 18 . GLY . 15543 1 19 . SER . 15543 1 20 . HIS . 15543 1 21 . MET . 15543 1 22 . GLY . 15543 1 23 . PRO . 15543 1 24 . PHE . 15543 1 25 . ARG . 15543 1 26 . ARG . 15543 1 27 . SER . 15543 1 28 . ASP . 15543 1 29 . SER . 15543 1 30 . PHE . 15543 1 31 . PRO . 15543 1 32 . GLU . 15543 1 33 . ARG . 15543 1 34 . ARG . 15543 1 35 . ALA . 15543 1 36 . PRO . 15543 1 37 . ARG . 15543 1 38 . LYS . 15543 1 39 . GLY . 15543 1 40 . ASN . 15543 1 41 . THR . 15543 1 42 . LEU . 15543 1 43 . TYR . 15543 1 44 . VAL . 15543 1 45 . TYR . 15543 1 46 . GLY . 15543 1 47 . GLU . 15543 1 48 . ASP . 15543 1 49 . MET . 15543 1 50 . THR . 15543 1 51 . PRO . 15543 1 52 . THR . 15543 1 53 . LEU . 15543 1 54 . LEU . 15543 1 55 . ARG . 15543 1 56 . GLY . 15543 1 57 . ALA . 15543 1 58 . PHE . 15543 1 59 . SER . 15543 1 60 . PRO . 15543 1 61 . PHE . 15543 1 62 . GLY . 15543 1 63 . ASN . 15543 1 64 . ILE . 15543 1 65 . ILE . 15543 1 66 . ASP . 15543 1 67 . LEU . 15543 1 68 . SER . 15543 1 69 . MET . 15543 1 70 . ASP . 15543 1 71 . PRO . 15543 1 72 . PRO . 15543 1 73 . ARG . 15543 1 74 . ASN . 15543 1 75 . CYS . 15543 1 76 . ALA . 15543 1 77 . PHE . 15543 1 78 . VAL . 15543 1 79 . THR . 15543 1 80 . TYR . 15543 1 81 . GLU . 15543 1 82 . LYS . 15543 1 83 . MET . 15543 1 84 . GLU . 15543 1 85 . SER . 15543 1 86 . ALA . 15543 1 87 . ASP . 15543 1 88 . GLN . 15543 1 89 . ALA . 15543 1 90 . VAL . 15543 1 91 . ALA . 15543 1 92 . GLU . 15543 1 93 . LEU . 15543 1 94 . ASN . 15543 1 95 . GLY . 15543 1 96 . THR . 15543 1 97 . GLN . 15543 1 98 . VAL . 15543 1 99 . GLU . 15543 1 100 . SER . 15543 1 101 . VAL . 15543 1 102 . GLN . 15543 1 103 . LEU . 15543 1 104 . LYS . 15543 1 105 . VAL . 15543 1 106 . ASN . 15543 1 107 . ILE . 15543 1 108 . ALA . 15543 1 109 . ARG . 15543 1 110 . LYS . 15543 1 111 . GLN . 15543 1 112 . PRO . 15543 1 113 . MET . 15543 1 114 . LEU . 15543 1 115 . ASP . 15543 1 116 . ALA . 15543 1 117 . ALA . 15543 1 118 . THR . 15543 1 119 . GLY . 15543 1 120 . LYS . 15543 1 121 . SER . 15543 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15543 1 . GLY 2 2 15543 1 . SER 3 3 15543 1 . SER 4 4 15543 1 . HIS 5 5 15543 1 . HIS 6 6 15543 1 . HIS 7 7 15543 1 . HIS 8 8 15543 1 . HIS 9 9 15543 1 . HIS 10 10 15543 1 . SER 11 11 15543 1 . SER 12 12 15543 1 . GLY 13 13 15543 1 . LEU 14 14 15543 1 . VAL 15 15 15543 1 . PRO 16 16 15543 1 . ARG 17 17 15543 1 . GLY 18 18 15543 1 . SER 19 19 15543 1 . HIS 20 20 15543 1 . MET 21 21 15543 1 . GLY 22 22 15543 1 . PRO 23 23 15543 1 . PHE 24 24 15543 1 . ARG 25 25 15543 1 . ARG 26 26 15543 1 . SER 27 27 15543 1 . ASP 28 28 15543 1 . SER 29 29 15543 1 . PHE 30 30 15543 1 . PRO 31 31 15543 1 . GLU 32 32 15543 1 . ARG 33 33 15543 1 . ARG 34 34 15543 1 . ALA 35 35 15543 1 . PRO 36 36 15543 1 . ARG 37 37 15543 1 . LYS 38 38 15543 1 . GLY 39 39 15543 1 . ASN 40 40 15543 1 . THR 41 41 15543 1 . LEU 42 42 15543 1 . TYR 43 43 15543 1 . VAL 44 44 15543 1 . TYR 45 45 15543 1 . GLY 46 46 15543 1 . GLU 47 47 15543 1 . ASP 48 48 15543 1 . MET 49 49 15543 1 . THR 50 50 15543 1 . PRO 51 51 15543 1 . THR 52 52 15543 1 . LEU 53 53 15543 1 . LEU 54 54 15543 1 . ARG 55 55 15543 1 . GLY 56 56 15543 1 . ALA 57 57 15543 1 . PHE 58 58 15543 1 . SER 59 59 15543 1 . PRO 60 60 15543 1 . PHE 61 61 15543 1 . GLY 62 62 15543 1 . ASN 63 63 15543 1 . ILE 64 64 15543 1 . ILE 65 65 15543 1 . ASP 66 66 15543 1 . LEU 67 67 15543 1 . SER 68 68 15543 1 . MET 69 69 15543 1 . ASP 70 70 15543 1 . PRO 71 71 15543 1 . PRO 72 72 15543 1 . ARG 73 73 15543 1 . ASN 74 74 15543 1 . CYS 75 75 15543 1 . ALA 76 76 15543 1 . PHE 77 77 15543 1 . VAL 78 78 15543 1 . THR 79 79 15543 1 . TYR 80 80 15543 1 . GLU 81 81 15543 1 . LYS 82 82 15543 1 . MET 83 83 15543 1 . GLU 84 84 15543 1 . SER 85 85 15543 1 . ALA 86 86 15543 1 . ASP 87 87 15543 1 . GLN 88 88 15543 1 . ALA 89 89 15543 1 . VAL 90 90 15543 1 . ALA 91 91 15543 1 . GLU 92 92 15543 1 . LEU 93 93 15543 1 . ASN 94 94 15543 1 . GLY 95 95 15543 1 . THR 96 96 15543 1 . GLN 97 97 15543 1 . VAL 98 98 15543 1 . GLU 99 99 15543 1 . SER 100 100 15543 1 . VAL 101 101 15543 1 . GLN 102 102 15543 1 . LEU 103 103 15543 1 . LYS 104 104 15543 1 . VAL 105 105 15543 1 . ASN 106 106 15543 1 . ILE 107 107 15543 1 . ALA 108 108 15543 1 . ARG 109 109 15543 1 . LYS 110 110 15543 1 . GLN 111 111 15543 1 . PRO 112 112 15543 1 . MET 113 113 15543 1 . LEU 114 114 15543 1 . ASP 115 115 15543 1 . ALA 116 116 15543 1 . ALA 117 117 15543 1 . THR 118 118 15543 1 . GLY 119 119 15543 1 . LYS 120 120 15543 1 . SER 121 121 15543 1 stop_ save_ save_TAR(49-57) _Entity.Sf_category entity _Entity.Sf_framecode TAR(49-57) _Entity.Entry_ID 15543 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name TAR(49-57) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code UAGGGAACC _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 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _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 . U . 15543 2 2 . A . 15543 2 3 . G . 15543 2 4 . G . 15543 2 5 . G . 15543 2 6 . A . 15543 2 7 . A . 15543 2 8 . C . 15543 2 9 . C . 15543 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 . U 1 1 15543 2 . A 2 2 15543 2 . G 3 3 15543 2 . G 4 4 15543 2 . G 5 5 15543 2 . A 6 6 15543 2 . A 7 7 15543 2 . C 8 8 15543 2 . C 9 9 15543 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 15543 _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 $rna_bound_nelfe-rrm . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15543 1 2 2 $TAR(49-57) . . organism . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15543 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 15543 _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 $rna_bound_nelfe-rrm . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 15543 1 2 2 $TAR(49-57) . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . 'biomers.net, Germany' . . 15543 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15543 _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 'rna bound nelfe-rrm' '[U-98% 13C; U-98% 15N]' . . 1 $rna_bound_nelfe-rrm . . 0.4 . . mM . . . . 15543 1 2 TAR(49-57) 'natural abundance' . . 2 $TAR(49-57) . . 0.8 . . mM . . . . 15543 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15543 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 . pH 15543 1 pressure 1 . atm 15543 1 temperature 298 . K 15543 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15543 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15543 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15543 1 'peak picking' 15543 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15543 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15543 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15543 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15543 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15543 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 15543 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15543 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15543 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15543 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15543 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15543 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15543 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15543 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15543 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15543 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15543 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15543 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15543 1 2 '2D 1H-13C HSQC' . . . 15543 1 3 '3D HCCH-TOCSY' . . . 15543 1 5 '3D 1H-13C NOESY' . . . 15543 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY H H 1 8.08 0.03 . 1 . . . . 2 GLY H . 15543 1 2 . 1 1 2 2 GLY N N 15 109.84 0.20 . 1 . . . . 2 GLY N . 15543 1 3 . 1 1 13 13 GLY H H 1 8.33 0.03 . 1 . . . . 13 GLY H . 15543 1 4 . 1 1 13 13 GLY N N 15 110.49 0.20 . 1 . . . . 13 GLY N . 15543 1 5 . 1 1 17 17 ARG H H 1 8.39 0.03 . 1 . . . . 17 ARG H . 15543 1 6 . 1 1 17 17 ARG N N 15 121.87 0.20 . 1 . . . . 17 ARG N . 15543 1 7 . 1 1 22 22 GLY H H 1 7.93 0.03 . 1 . . . . 22 GLY H . 15543 1 8 . 1 1 22 22 GLY N N 15 109.99 0.20 . 1 . . . . 22 GLY N . 15543 1 9 . 1 1 29 29 SER H H 1 7.95 0.03 . 1 . . . . 29 SER H . 15543 1 10 . 1 1 29 29 SER N N 15 114.81 0.20 . 1 . . . . 29 SER N . 15543 1 11 . 1 1 30 30 PHE H H 1 8.08 0.03 . 1 . . . . 30 PHE H . 15543 1 12 . 1 1 30 30 PHE N N 15 122.33 0.20 . 1 . . . . 30 PHE N . 15543 1 13 . 1 1 32 32 GLU H H 1 8.47 0.03 . 1 . . . . 32 GLU H . 15543 1 14 . 1 1 32 32 GLU N N 15 120.56 0.20 . 1 . . . . 32 GLU N . 15543 1 15 . 1 1 35 35 ALA H H 1 8.24 0.03 . 1 . . . . 35 ALA H . 15543 1 16 . 1 1 35 35 ALA N N 15 126.42 0.20 . 1 . . . . 35 ALA N . 15543 1 17 . 1 1 37 37 ARG H H 1 8.37 0.03 . 1 . . . . 37 ARG H . 15543 1 18 . 1 1 37 37 ARG N N 15 121.03 0.20 . 1 . . . . 37 ARG N . 15543 1 19 . 1 1 38 38 LYS H H 1 8.15 0.03 . 1 . . . . 38 LYS H . 15543 1 20 . 1 1 38 38 LYS HA H 1 4.75 0.03 . 1 . . . . 38 LYS HA . 15543 1 21 . 1 1 38 38 LYS HB2 H 1 1.80 0.03 . 2 . . . . 38 LYS HB2 . 15543 1 22 . 1 1 38 38 LYS HB3 H 1 2.01 0.03 . 2 . . . . 38 LYS HB3 . 15543 1 23 . 1 1 38 38 LYS HE3 H 1 3.09 0.03 . 2 . . . . 38 LYS HE3 . 15543 1 24 . 1 1 38 38 LYS HG3 H 1 1.51 0.03 . 2 . . . . 38 LYS HG3 . 15543 1 25 . 1 1 38 38 LYS CA C 13 54.19 0.30 . 1 . . . . 38 LYS CA . 15543 1 26 . 1 1 38 38 LYS CB C 13 35.04 0.30 . 1 . . . . 38 LYS CB . 15543 1 27 . 1 1 38 38 LYS N N 15 119.86 0.20 . 1 . . . . 38 LYS N . 15543 1 28 . 1 1 39 39 GLY H H 1 8.71 0.03 . 1 . . . . 39 GLY H . 15543 1 29 . 1 1 39 39 GLY HA3 H 1 4.05 0.03 . 2 . . . . 39 GLY HA3 . 15543 1 30 . 1 1 39 39 GLY CA C 13 45.46 0.30 . 1 . . . . 39 GLY CA . 15543 1 31 . 1 1 39 39 GLY N N 15 107.99 0.20 . 1 . . . . 39 GLY N . 15543 1 32 . 1 1 40 40 ASN H H 1 8.30 0.03 . 1 . . . . 40 ASN H . 15543 1 33 . 1 1 40 40 ASN HA H 1 4.85 0.03 . 1 . . . . 40 ASN HA . 15543 1 34 . 1 1 40 40 ASN HB2 H 1 2.74 0.03 . 2 . . . . 40 ASN HB2 . 15543 1 35 . 1 1 40 40 ASN HB3 H 1 3.31 0.03 . 2 . . . . 40 ASN HB3 . 15543 1 36 . 1 1 40 40 ASN HD21 H 1 7.47 0.03 . 1 . . . . 40 ASN HD21 . 15543 1 37 . 1 1 40 40 ASN HD22 H 1 6.36 0.03 . 1 . . . . 40 ASN HD22 . 15543 1 38 . 1 1 40 40 ASN CA C 13 54.11 0.30 . 1 . . . . 40 ASN CA . 15543 1 39 . 1 1 40 40 ASN CB C 13 37.84 0.30 . 1 . . . . 40 ASN CB . 15543 1 40 . 1 1 40 40 ASN N N 15 115.65 0.20 . 1 . . . . 40 ASN N . 15543 1 41 . 1 1 40 40 ASN ND2 N 15 109.33 0.20 . 1 . . . . 40 ASN ND2 . 15543 1 42 . 1 1 41 41 THR HA H 1 5.40 0.03 . 1 . . . . 41 THR HA . 15543 1 43 . 1 1 41 41 THR HB H 1 4.15 0.03 . 1 . . . . 41 THR HB . 15543 1 44 . 1 1 41 41 THR HG21 H 1 1.51 0.03 . 1 . . . . 41 THR HG2 . 15543 1 45 . 1 1 41 41 THR HG22 H 1 1.51 0.03 . 1 . . . . 41 THR HG2 . 15543 1 46 . 1 1 41 41 THR HG23 H 1 1.51 0.03 . 1 . . . . 41 THR HG2 . 15543 1 47 . 1 1 41 41 THR CA C 13 63.41 0.30 . 1 . . . . 41 THR CA . 15543 1 48 . 1 1 41 41 THR CB C 13 69.93 0.30 . 1 . . . . 41 THR CB . 15543 1 49 . 1 1 41 41 THR CG2 C 13 23.10 0.30 . 1 . . . . 41 THR CG2 . 15543 1 50 . 1 1 42 42 LEU H H 1 9.90 0.03 . 1 . . . . 42 LEU H . 15543 1 51 . 1 1 42 42 LEU HA H 1 5.09 0.03 . 1 . . . . 42 LEU HA . 15543 1 52 . 1 1 42 42 LEU HB2 H 1 1.40 0.03 . 2 . . . . 42 LEU HB2 . 15543 1 53 . 1 1 42 42 LEU HB3 H 1 1.72 0.03 . 2 . . . . 42 LEU HB3 . 15543 1 54 . 1 1 42 42 LEU HD11 H 1 1.17 0.03 . 2 . . . . 42 LEU HD1 . 15543 1 55 . 1 1 42 42 LEU HD12 H 1 1.17 0.03 . 2 . . . . 42 LEU HD1 . 15543 1 56 . 1 1 42 42 LEU HD13 H 1 1.17 0.03 . 2 . . . . 42 LEU HD1 . 15543 1 57 . 1 1 42 42 LEU HD21 H 1 1.03 0.03 . 2 . . . . 42 LEU HD2 . 15543 1 58 . 1 1 42 42 LEU HD22 H 1 1.03 0.03 . 2 . . . . 42 LEU HD2 . 15543 1 59 . 1 1 42 42 LEU HD23 H 1 1.03 0.03 . 2 . . . . 42 LEU HD2 . 15543 1 60 . 1 1 42 42 LEU HG H 1 1.91 0.03 . 1 . . . . 42 LEU HG . 15543 1 61 . 1 1 42 42 LEU CA C 13 53.26 0.30 . 1 . . . . 42 LEU CA . 15543 1 62 . 1 1 42 42 LEU CB C 13 43.59 0.30 . 1 . . . . 42 LEU CB . 15543 1 63 . 1 1 42 42 LEU CD1 C 13 27.72 0.30 . 2 . . . . 42 LEU CD1 . 15543 1 64 . 1 1 42 42 LEU CD2 C 13 25.86 0.30 . 2 . . . . 42 LEU CD2 . 15543 1 65 . 1 1 42 42 LEU CG C 13 27.04 0.30 . 1 . . . . 42 LEU CG . 15543 1 66 . 1 1 42 42 LEU N N 15 127.87 0.20 . 1 . . . . 42 LEU N . 15543 1 67 . 1 1 43 43 TYR H H 1 9.19 0.03 . 1 . . . . 43 TYR H . 15543 1 68 . 1 1 43 43 TYR HA H 1 4.42 0.03 . 1 . . . . 43 TYR HA . 15543 1 69 . 1 1 43 43 TYR HB2 H 1 2.58 0.03 . 2 . . . . 43 TYR HB2 . 15543 1 70 . 1 1 43 43 TYR HB3 H 1 2.86 0.03 . 2 . . . . 43 TYR HB3 . 15543 1 71 . 1 1 43 43 TYR CB C 13 40.31 0.30 . 1 . . . . 43 TYR CB . 15543 1 72 . 1 1 43 43 TYR N N 15 124.14 0.20 . 1 . . . . 43 TYR N . 15543 1 73 . 1 1 44 44 VAL H H 1 7.98 0.03 . 1 . . . . 44 VAL H . 15543 1 74 . 1 1 44 44 VAL HA H 1 4.81 0.03 . 1 . . . . 44 VAL HA . 15543 1 75 . 1 1 44 44 VAL HB H 1 1.42 0.03 . 1 . . . . 44 VAL HB . 15543 1 76 . 1 1 44 44 VAL HG11 H 1 0.81 0.03 . 2 . . . . 44 VAL HG1 . 15543 1 77 . 1 1 44 44 VAL HG12 H 1 0.81 0.03 . 2 . . . . 44 VAL HG1 . 15543 1 78 . 1 1 44 44 VAL HG13 H 1 0.81 0.03 . 2 . . . . 44 VAL HG1 . 15543 1 79 . 1 1 44 44 VAL HG21 H 1 0.54 0.03 . 2 . . . . 44 VAL HG2 . 15543 1 80 . 1 1 44 44 VAL HG22 H 1 0.54 0.03 . 2 . . . . 44 VAL HG2 . 15543 1 81 . 1 1 44 44 VAL HG23 H 1 0.54 0.03 . 2 . . . . 44 VAL HG2 . 15543 1 82 . 1 1 44 44 VAL CA C 13 59.32 0.30 . 1 . . . . 44 VAL CA . 15543 1 83 . 1 1 44 44 VAL CB C 13 34.36 0.30 . 1 . . . . 44 VAL CB . 15543 1 84 . 1 1 44 44 VAL CG1 C 13 22.40 0.30 . 2 . . . . 44 VAL CG1 . 15543 1 85 . 1 1 44 44 VAL CG2 C 13 22.06 0.30 . 2 . . . . 44 VAL CG2 . 15543 1 86 . 1 1 44 44 VAL N N 15 127.36 0.20 . 1 . . . . 44 VAL N . 15543 1 87 . 1 1 45 45 TYR H H 1 9.02 0.03 . 1 . . . . 45 TYR H . 15543 1 88 . 1 1 45 45 TYR HA H 1 4.98 0.03 . 1 . . . . 45 TYR HA . 15543 1 89 . 1 1 45 45 TYR HB3 H 1 2.81 0.03 . 2 . . . . 45 TYR HB3 . 15543 1 90 . 1 1 45 45 TYR HD1 H 1 7.10 0.03 . 1 . . . . 45 TYR HD1 . 15543 1 91 . 1 1 45 45 TYR HD2 H 1 7.10 0.03 . 1 . . . . 45 TYR HD2 . 15543 1 92 . 1 1 45 45 TYR HE1 H 1 6.89 0.03 . 1 . . . . 45 TYR HE1 . 15543 1 93 . 1 1 45 45 TYR HE2 H 1 6.89 0.03 . 1 . . . . 45 TYR HE2 . 15543 1 94 . 1 1 45 45 TYR CA C 13 55.68 0.30 . 1 . . . . 45 TYR CA . 15543 1 95 . 1 1 45 45 TYR CB C 13 42.21 0.30 . 1 . . . . 45 TYR CB . 15543 1 96 . 1 1 45 45 TYR N N 15 126.39 0.20 . 1 . . . . 45 TYR N . 15543 1 97 . 1 1 46 46 GLY H H 1 7.51 0.03 . 1 . . . . 46 GLY H . 15543 1 98 . 1 1 46 46 GLY HA2 H 1 3.83 0.03 . 2 . . . . 46 GLY HA2 . 15543 1 99 . 1 1 46 46 GLY HA3 H 1 3.83 0.03 . 2 . . . . 46 GLY HA3 . 15543 1 100 . 1 1 46 46 GLY CA C 13 45.36 0.30 . 1 . . . . 46 GLY CA . 15543 1 101 . 1 1 46 46 GLY N N 15 114.22 0.20 . 1 . . . . 46 GLY N . 15543 1 102 . 1 1 47 47 GLU H H 1 8.75 0.03 . 1 . . . . 47 GLU H . 15543 1 103 . 1 1 47 47 GLU HA H 1 3.99 0.03 . 1 . . . . 47 GLU HA . 15543 1 104 . 1 1 47 47 GLU HB2 H 1 1.96 0.03 . 2 . . . . 47 GLU HB2 . 15543 1 105 . 1 1 47 47 GLU HB3 H 1 1.88 0.03 . 2 . . . . 47 GLU HB3 . 15543 1 106 . 1 1 47 47 GLU HG2 H 1 2.19 0.03 . 2 . . . . 47 GLU HG2 . 15543 1 107 . 1 1 47 47 GLU HG3 H 1 2.29 0.03 . 2 . . . . 47 GLU HG3 . 15543 1 108 . 1 1 47 47 GLU CA C 13 56.72 0.30 . 1 . . . . 47 GLU CA . 15543 1 109 . 1 1 47 47 GLU CB C 13 30.46 0.30 . 1 . . . . 47 GLU CB . 15543 1 110 . 1 1 47 47 GLU CG C 13 36.79 0.30 . 1 . . . . 47 GLU CG . 15543 1 111 . 1 1 47 47 GLU N N 15 123.88 0.20 . 1 . . . . 47 GLU N . 15543 1 112 . 1 1 48 48 ASP H H 1 8.54 0.03 . 1 . . . . 48 ASP H . 15543 1 113 . 1 1 48 48 ASP HA H 1 4.25 0.03 . 1 . . . . 48 ASP HA . 15543 1 114 . 1 1 48 48 ASP HB2 H 1 2.70 0.03 . 2 . . . . 48 ASP HB2 . 15543 1 115 . 1 1 48 48 ASP HB3 H 1 2.90 0.03 . 2 . . . . 48 ASP HB3 . 15543 1 116 . 1 1 48 48 ASP CA C 13 55.21 0.30 . 1 . . . . 48 ASP CA . 15543 1 117 . 1 1 48 48 ASP CB C 13 39.15 0.30 . 1 . . . . 48 ASP CB . 15543 1 118 . 1 1 48 48 ASP N N 15 117.20 0.20 . 1 . . . . 48 ASP N . 15543 1 119 . 1 1 49 49 MET H H 1 8.19 0.03 . 1 . . . . 49 MET H . 15543 1 120 . 1 1 49 49 MET HA H 1 4.12 0.03 . 1 . . . . 49 MET HA . 15543 1 121 . 1 1 49 49 MET HB2 H 1 1.46 0.03 . 2 . . . . 49 MET HB2 . 15543 1 122 . 1 1 49 49 MET HB3 H 1 2.04 0.03 . 2 . . . . 49 MET HB3 . 15543 1 123 . 1 1 49 49 MET HE1 H 1 1.61 0.03 . 1 . . . . 49 MET HE . 15543 1 124 . 1 1 49 49 MET HE2 H 1 1.61 0.03 . 1 . . . . 49 MET HE . 15543 1 125 . 1 1 49 49 MET HE3 H 1 1.61 0.03 . 1 . . . . 49 MET HE . 15543 1 126 . 1 1 49 49 MET CA C 13 57.51 0.30 . 1 . . . . 49 MET CA . 15543 1 127 . 1 1 49 49 MET CB C 13 34.62 0.30 . 1 . . . . 49 MET CB . 15543 1 128 . 1 1 49 49 MET CE C 13 14.68 0.30 . 1 . . . . 49 MET CE . 15543 1 129 . 1 1 49 49 MET N N 15 114.56 0.20 . 1 . . . . 49 MET N . 15543 1 130 . 1 1 50 50 THR H H 1 6.51 0.03 . 1 . . . . 50 THR H . 15543 1 131 . 1 1 50 50 THR HA H 1 5.02 0.03 . 1 . . . . 50 THR HA . 15543 1 132 . 1 1 50 50 THR HB H 1 4.71 0.03 . 1 . . . . 50 THR HB . 15543 1 133 . 1 1 50 50 THR HG21 H 1 1.33 0.03 . 1 . . . . 50 THR HG2 . 15543 1 134 . 1 1 50 50 THR HG22 H 1 1.33 0.03 . 1 . . . . 50 THR HG2 . 15543 1 135 . 1 1 50 50 THR HG23 H 1 1.33 0.03 . 1 . . . . 50 THR HG2 . 15543 1 136 . 1 1 50 50 THR CA C 13 57.96 0.30 . 1 . . . . 50 THR CA . 15543 1 137 . 1 1 50 50 THR CB C 13 70.15 0.30 . 1 . . . . 50 THR CB . 15543 1 138 . 1 1 50 50 THR CG2 C 13 21.55 0.30 . 1 . . . . 50 THR CG2 . 15543 1 139 . 1 1 50 50 THR N N 15 108.06 0.20 . 1 . . . . 50 THR N . 15543 1 140 . 1 1 51 51 PRO HA H 1 4.34 0.03 . 1 . . . . 51 PRO HA . 15543 1 141 . 1 1 51 51 PRO HB2 H 1 2.12 0.03 . 2 . . . . 51 PRO HB2 . 15543 1 142 . 1 1 51 51 PRO HB3 H 1 2.46 0.03 . 2 . . . . 51 PRO HB3 . 15543 1 143 . 1 1 51 51 PRO HD3 H 1 4.15 0.03 . 2 . . . . 51 PRO HD3 . 15543 1 144 . 1 1 51 51 PRO HG2 H 1 2.34 0.03 . 2 . . . . 51 PRO HG2 . 15543 1 145 . 1 1 51 51 PRO HG3 H 1 2.19 0.03 . 2 . . . . 51 PRO HG3 . 15543 1 146 . 1 1 51 51 PRO CA C 13 65.79 0.30 . 1 . . . . 51 PRO CA . 15543 1 147 . 1 1 51 51 PRO CB C 13 31.78 0.30 . 1 . . . . 51 PRO CB . 15543 1 148 . 1 1 51 51 PRO CD C 13 50.69 0.30 . 1 . . . . 51 PRO CD . 15543 1 149 . 1 1 51 51 PRO CG C 13 27.89 0.30 . 1 . . . . 51 PRO CG . 15543 1 150 . 1 1 52 52 THR H H 1 7.64 0.03 . 1 . . . . 52 THR H . 15543 1 151 . 1 1 52 52 THR HA H 1 3.98 0.03 . 1 . . . . 52 THR HA . 15543 1 152 . 1 1 52 52 THR HB H 1 4.10 0.03 . 1 . . . . 52 THR HB . 15543 1 153 . 1 1 52 52 THR HG21 H 1 1.31 0.03 . 1 . . . . 52 THR HG2 . 15543 1 154 . 1 1 52 52 THR HG22 H 1 1.31 0.03 . 1 . . . . 52 THR HG2 . 15543 1 155 . 1 1 52 52 THR HG23 H 1 1.31 0.03 . 1 . . . . 52 THR HG2 . 15543 1 156 . 1 1 52 52 THR CA C 13 66.16 0.30 . 1 . . . . 52 THR CA . 15543 1 157 . 1 1 52 52 THR CB C 13 68.43 0.30 . 1 . . . . 52 THR CB . 15543 1 158 . 1 1 52 52 THR CG2 C 13 21.77 0.30 . 1 . . . . 52 THR CG2 . 15543 1 159 . 1 1 52 52 THR N N 15 111.52 0.20 . 1 . . . . 52 THR N . 15543 1 160 . 1 1 53 53 LEU H H 1 7.81 0.03 . 1 . . . . 53 LEU H . 15543 1 161 . 1 1 53 53 LEU HA H 1 4.13 0.03 . 1 . . . . 53 LEU HA . 15543 1 162 . 1 1 53 53 LEU HB2 H 1 1.77 0.03 . 2 . . . . 53 LEU HB2 . 15543 1 163 . 1 1 53 53 LEU HB3 H 1 1.95 0.03 . 2 . . . . 53 LEU HB3 . 15543 1 164 . 1 1 53 53 LEU HD11 H 1 1.03 0.03 . 2 . . . . 53 LEU HD1 . 15543 1 165 . 1 1 53 53 LEU HD12 H 1 1.03 0.03 . 2 . . . . 53 LEU HD1 . 15543 1 166 . 1 1 53 53 LEU HD13 H 1 1.03 0.03 . 2 . . . . 53 LEU HD1 . 15543 1 167 . 1 1 53 53 LEU HD21 H 1 0.92 0.03 . 2 . . . . 53 LEU HD2 . 15543 1 168 . 1 1 53 53 LEU HD22 H 1 0.92 0.03 . 2 . . . . 53 LEU HD2 . 15543 1 169 . 1 1 53 53 LEU HD23 H 1 0.92 0.03 . 2 . . . . 53 LEU HD2 . 15543 1 170 . 1 1 53 53 LEU HG H 1 1.66 0.03 . 1 . . . . 53 LEU HG . 15543 1 171 . 1 1 53 53 LEU CA C 13 58.36 0.30 . 1 . . . . 53 LEU CA . 15543 1 172 . 1 1 53 53 LEU CB C 13 42.97 0.30 . 1 . . . . 53 LEU CB . 15543 1 173 . 1 1 53 53 LEU CD1 C 13 25.95 0.30 . 2 . . . . 53 LEU CD1 . 15543 1 174 . 1 1 53 53 LEU CD2 C 13 25.60 0.30 . 2 . . . . 53 LEU CD2 . 15543 1 175 . 1 1 53 53 LEU CG C 13 27.47 0.30 . 1 . . . . 53 LEU CG . 15543 1 176 . 1 1 53 53 LEU N N 15 125.41 0.20 . 1 . . . . 53 LEU N . 15543 1 177 . 1 1 54 54 LEU H H 1 7.84 0.03 . 1 . . . . 54 LEU H . 15543 1 178 . 1 1 54 54 LEU HA H 1 4.26 0.03 . 1 . . . . 54 LEU HA . 15543 1 179 . 1 1 54 54 LEU HB2 H 1 1.20 0.03 . 2 . . . . 54 LEU HB2 . 15543 1 180 . 1 1 54 54 LEU HB3 H 1 1.98 0.03 . 2 . . . . 54 LEU HB3 . 15543 1 181 . 1 1 54 54 LEU HD11 H 1 0.93 0.03 . 2 . . . . 54 LEU HD1 . 15543 1 182 . 1 1 54 54 LEU HD12 H 1 0.93 0.03 . 2 . . . . 54 LEU HD1 . 15543 1 183 . 1 1 54 54 LEU HD13 H 1 0.93 0.03 . 2 . . . . 54 LEU HD1 . 15543 1 184 . 1 1 54 54 LEU HD21 H 1 0.65 0.03 . 2 . . . . 54 LEU HD2 . 15543 1 185 . 1 1 54 54 LEU HD22 H 1 0.65 0.03 . 2 . . . . 54 LEU HD2 . 15543 1 186 . 1 1 54 54 LEU HD23 H 1 0.65 0.03 . 2 . . . . 54 LEU HD2 . 15543 1 187 . 1 1 54 54 LEU HG H 1 1.79 0.03 . 1 . . . . 54 LEU HG . 15543 1 188 . 1 1 54 54 LEU CA C 13 57.58 0.30 . 1 . . . . 54 LEU CA . 15543 1 189 . 1 1 54 54 LEU CB C 13 42.33 0.30 . 1 . . . . 54 LEU CB . 15543 1 190 . 1 1 54 54 LEU CD1 C 13 23.15 0.30 . 2 . . . . 54 LEU CD1 . 15543 1 191 . 1 1 54 54 LEU CD2 C 13 26.63 0.30 . 2 . . . . 54 LEU CD2 . 15543 1 192 . 1 1 54 54 LEU CG C 13 27.15 0.30 . 1 . . . . 54 LEU CG . 15543 1 193 . 1 1 54 54 LEU N N 15 117.15 0.20 . 1 . . . . 54 LEU N . 15543 1 194 . 1 1 55 55 ARG H H 1 9.02 0.03 . 1 . . . . 55 ARG H . 15543 1 195 . 1 1 55 55 ARG HA H 1 3.88 0.03 . 1 . . . . 55 ARG HA . 15543 1 196 . 1 1 55 55 ARG HB2 H 1 1.95 0.03 . 2 . . . . 55 ARG HB2 . 15543 1 197 . 1 1 55 55 ARG HB3 H 1 1.95 0.03 . 2 . . . . 55 ARG HB3 . 15543 1 198 . 1 1 55 55 ARG HD2 H 1 3.20 0.03 . 2 . . . . 55 ARG HD2 . 15543 1 199 . 1 1 55 55 ARG HD3 H 1 3.30 0.03 . 2 . . . . 55 ARG HD3 . 15543 1 200 . 1 1 55 55 ARG HG2 H 1 1.63 0.03 . 2 . . . . 55 ARG HG2 . 15543 1 201 . 1 1 55 55 ARG HG3 H 1 1.82 0.03 . 2 . . . . 55 ARG HG3 . 15543 1 202 . 1 1 55 55 ARG CA C 13 60.89 0.30 . 1 . . . . 55 ARG CA . 15543 1 203 . 1 1 55 55 ARG CB C 13 29.58 0.30 . 1 . . . . 55 ARG CB . 15543 1 204 . 1 1 55 55 ARG CD C 13 42.91 0.30 . 1 . . . . 55 ARG CD . 15543 1 205 . 1 1 55 55 ARG CG C 13 28.96 0.30 . 1 . . . . 55 ARG CG . 15543 1 206 . 1 1 55 55 ARG N N 15 120.05 0.20 . 1 . . . . 55 ARG N . 15543 1 207 . 1 1 56 56 GLY H H 1 8.18 0.03 . 1 . . . . 56 GLY H . 15543 1 208 . 1 1 56 56 GLY HA2 H 1 3.94 0.03 . 2 . . . . 56 GLY HA2 . 15543 1 209 . 1 1 56 56 GLY HA3 H 1 4.10 0.03 . 2 . . . . 56 GLY HA3 . 15543 1 210 . 1 1 56 56 GLY CA C 13 47.21 0.30 . 1 . . . . 56 GLY CA . 15543 1 211 . 1 1 56 56 GLY N N 15 106.70 0.20 . 1 . . . . 56 GLY N . 15543 1 212 . 1 1 57 57 ALA H H 1 7.83 0.03 . 1 . . . . 57 ALA H . 15543 1 213 . 1 1 57 57 ALA HA H 1 4.36 0.03 . 1 . . . . 57 ALA HA . 15543 1 214 . 1 1 57 57 ALA HB1 H 1 1.41 0.03 . 1 . . . . 57 ALA HB . 15543 1 215 . 1 1 57 57 ALA HB2 H 1 1.41 0.03 . 1 . . . . 57 ALA HB . 15543 1 216 . 1 1 57 57 ALA HB3 H 1 1.41 0.03 . 1 . . . . 57 ALA HB . 15543 1 217 . 1 1 57 57 ALA CA C 13 53.59 0.30 . 1 . . . . 57 ALA CA . 15543 1 218 . 1 1 57 57 ALA CB C 13 19.05 0.30 . 1 . . . . 57 ALA CB . 15543 1 219 . 1 1 57 57 ALA N N 15 120.27 0.20 . 1 . . . . 57 ALA N . 15543 1 220 . 1 1 58 58 PHE H H 1 8.60 0.03 . 1 . . . . 58 PHE H . 15543 1 221 . 1 1 58 58 PHE HA H 1 4.79 0.03 . 1 . . . . 58 PHE HA . 15543 1 222 . 1 1 58 58 PHE HB2 H 1 3.11 0.03 . 2 . . . . 58 PHE HB2 . 15543 1 223 . 1 1 58 58 PHE HB3 H 1 3.33 0.03 . 2 . . . . 58 PHE HB3 . 15543 1 224 . 1 1 58 58 PHE HE1 H 1 8.02 0.03 . 1 . . . . 58 PHE HE1 . 15543 1 225 . 1 1 58 58 PHE HE2 H 1 8.02 0.03 . 1 . . . . 58 PHE HE2 . 15543 1 226 . 1 1 58 58 PHE HZ H 1 7.08 0.03 . 1 . . . . 58 PHE HZ . 15543 1 227 . 1 1 58 58 PHE CA C 13 60.21 0.30 . 1 . . . . 58 PHE CA . 15543 1 228 . 1 1 58 58 PHE CB C 13 38.39 0.30 . 1 . . . . 58 PHE CB . 15543 1 229 . 1 1 58 58 PHE N N 15 110.25 0.20 . 1 . . . . 58 PHE N . 15543 1 230 . 1 1 59 59 SER H H 1 8.61 0.03 . 1 . . . . 59 SER H . 15543 1 231 . 1 1 59 59 SER HA H 1 4.81 0.03 . 1 . . . . 59 SER HA . 15543 1 232 . 1 1 59 59 SER HB2 H 1 4.33 0.03 . 2 . . . . 59 SER HB2 . 15543 1 233 . 1 1 59 59 SER HB3 H 1 4.33 0.03 . 2 . . . . 59 SER HB3 . 15543 1 234 . 1 1 59 59 SER CA C 13 63.54 0.30 . 1 . . . . 59 SER CA . 15543 1 235 . 1 1 59 59 SER CB C 13 62.91 0.30 . 1 . . . . 59 SER CB . 15543 1 236 . 1 1 59 59 SER N N 15 122.86 0.20 . 1 . . . . 59 SER N . 15543 1 237 . 1 1 60 60 PRO HA H 1 4.28 0.03 . 1 . . . . 60 PRO HA . 15543 1 238 . 1 1 60 60 PRO HB2 H 1 2.10 0.03 . 2 . . . . 60 PRO HB2 . 15543 1 239 . 1 1 60 60 PRO HB3 H 1 0.58 0.03 . 2 . . . . 60 PRO HB3 . 15543 1 240 . 1 1 60 60 PRO HD2 H 1 3.14 0.03 . 2 . . . . 60 PRO HD2 . 15543 1 241 . 1 1 60 60 PRO HD3 H 1 3.86 0.03 . 2 . . . . 60 PRO HD3 . 15543 1 242 . 1 1 60 60 PRO HG2 H 1 1.82 0.03 . 2 . . . . 60 PRO HG2 . 15543 1 243 . 1 1 60 60 PRO HG3 H 1 1.82 0.03 . 2 . . . . 60 PRO HG3 . 15543 1 244 . 1 1 60 60 PRO CA C 13 65.68 0.30 . 1 . . . . 60 PRO CA . 15543 1 245 . 1 1 60 60 PRO CB C 13 31.42 0.30 . 1 . . . . 60 PRO CB . 15543 1 246 . 1 1 60 60 PRO CD C 13 52.06 0.30 . 1 . . . . 60 PRO CD . 15543 1 247 . 1 1 60 60 PRO CG C 13 28.13 0.30 . 1 . . . . 60 PRO CG . 15543 1 248 . 1 1 61 61 PHE H H 1 6.85 0.03 . 1 . . . . 61 PHE H . 15543 1 249 . 1 1 61 61 PHE HA H 1 4.51 0.03 . 1 . . . . 61 PHE HA . 15543 1 250 . 1 1 61 61 PHE HB2 H 1 2.92 0.03 . 2 . . . . 61 PHE HB2 . 15543 1 251 . 1 1 61 61 PHE HB3 H 1 3.45 0.03 . 2 . . . . 61 PHE HB3 . 15543 1 252 . 1 1 61 61 PHE HD1 H 1 7.34 0.03 . 1 . . . . 61 PHE HD1 . 15543 1 253 . 1 1 61 61 PHE HD2 H 1 7.34 0.03 . 1 . . . . 61 PHE HD2 . 15543 1 254 . 1 1 61 61 PHE HE1 H 1 7.41 0.03 . 1 . . . . 61 PHE HE1 . 15543 1 255 . 1 1 61 61 PHE HE2 H 1 7.41 0.03 . 1 . . . . 61 PHE HE2 . 15543 1 256 . 1 1 61 61 PHE HZ H 1 7.24 0.03 . 1 . . . . 61 PHE HZ . 15543 1 257 . 1 1 61 61 PHE CA C 13 58.31 0.30 . 1 . . . . 61 PHE CA . 15543 1 258 . 1 1 61 61 PHE CB C 13 38.92 0.30 . 1 . . . . 61 PHE CB . 15543 1 259 . 1 1 61 61 PHE N N 15 109.70 0.20 . 1 . . . . 61 PHE N . 15543 1 260 . 1 1 62 62 GLY H H 1 7.80 0.03 . 1 . . . . 62 GLY H . 15543 1 261 . 1 1 62 62 GLY HA2 H 1 4.09 0.03 . 2 . . . . 62 GLY HA2 . 15543 1 262 . 1 1 62 62 GLY HA3 H 1 4.29 0.03 . 2 . . . . 62 GLY HA3 . 15543 1 263 . 1 1 62 62 GLY CA C 13 45.29 0.30 . 1 . . . . 62 GLY CA . 15543 1 264 . 1 1 62 62 GLY N N 15 106.52 0.20 . 1 . . . . 62 GLY N . 15543 1 265 . 1 1 63 63 ASN H H 1 8.52 0.03 . 1 . . . . 63 ASN H . 15543 1 266 . 1 1 63 63 ASN HA H 1 4.92 0.03 . 1 . . . . 63 ASN HA . 15543 1 267 . 1 1 63 63 ASN HB2 H 1 2.94 0.03 . 2 . . . . 63 ASN HB2 . 15543 1 268 . 1 1 63 63 ASN HB3 H 1 2.94 0.03 . 2 . . . . 63 ASN HB3 . 15543 1 269 . 1 1 63 63 ASN HD21 H 1 7.83 0.03 . 1 . . . . 63 ASN HD21 . 15543 1 270 . 1 1 63 63 ASN HD22 H 1 6.95 0.03 . 1 . . . . 63 ASN HD22 . 15543 1 271 . 1 1 63 63 ASN CA C 13 52.93 0.30 . 1 . . . . 63 ASN CA . 15543 1 272 . 1 1 63 63 ASN CB C 13 38.63 0.30 . 1 . . . . 63 ASN CB . 15543 1 273 . 1 1 63 63 ASN N N 15 117.02 0.20 . 1 . . . . 63 ASN N . 15543 1 274 . 1 1 63 63 ASN ND2 N 15 112.71 0.20 . 1 . . . . 63 ASN ND2 . 15543 1 275 . 1 1 64 64 ILE H H 1 8.75 0.03 . 1 . . . . 64 ILE H . 15543 1 276 . 1 1 64 64 ILE HA H 1 4.10 0.03 . 1 . . . . 64 ILE HA . 15543 1 277 . 1 1 64 64 ILE HB H 1 1.77 0.03 . 1 . . . . 64 ILE HB . 15543 1 278 . 1 1 64 64 ILE HD11 H 1 0.85 0.03 . 1 . . . . 64 ILE HD1 . 15543 1 279 . 1 1 64 64 ILE HD12 H 1 0.85 0.03 . 1 . . . . 64 ILE HD1 . 15543 1 280 . 1 1 64 64 ILE HD13 H 1 0.85 0.03 . 1 . . . . 64 ILE HD1 . 15543 1 281 . 1 1 64 64 ILE HG12 H 1 0.29 0.03 . 2 . . . . 64 ILE HG12 . 15543 1 282 . 1 1 64 64 ILE HG13 H 1 1.92 0.03 . 2 . . . . 64 ILE HG13 . 15543 1 283 . 1 1 64 64 ILE HG21 H 1 0.70 0.03 . 1 . . . . 64 ILE HG2 . 15543 1 284 . 1 1 64 64 ILE HG22 H 1 0.70 0.03 . 1 . . . . 64 ILE HG2 . 15543 1 285 . 1 1 64 64 ILE HG23 H 1 0.70 0.03 . 1 . . . . 64 ILE HG2 . 15543 1 286 . 1 1 64 64 ILE CA C 13 61.94 0.30 . 1 . . . . 64 ILE CA . 15543 1 287 . 1 1 64 64 ILE CB C 13 38.78 0.30 . 1 . . . . 64 ILE CB . 15543 1 288 . 1 1 64 64 ILE CD1 C 13 14.06 0.30 . 1 . . . . 64 ILE CD1 . 15543 1 289 . 1 1 64 64 ILE CG1 C 13 28.06 0.30 . 1 . . . . 64 ILE CG1 . 15543 1 290 . 1 1 64 64 ILE CG2 C 13 17.55 0.30 . 1 . . . . 64 ILE CG2 . 15543 1 291 . 1 1 64 64 ILE N N 15 127.93 0.20 . 1 . . . . 64 ILE N . 15543 1 292 . 1 1 65 65 ILE H H 1 8.91 0.03 . 1 . . . . 65 ILE H . 15543 1 293 . 1 1 65 65 ILE HA H 1 4.49 0.03 . 1 . . . . 65 ILE HA . 15543 1 294 . 1 1 65 65 ILE HB H 1 2.00 0.03 . 1 . . . . 65 ILE HB . 15543 1 295 . 1 1 65 65 ILE HD11 H 1 0.86 0.03 . 1 . . . . 65 ILE HD1 . 15543 1 296 . 1 1 65 65 ILE HD12 H 1 0.86 0.03 . 1 . . . . 65 ILE HD1 . 15543 1 297 . 1 1 65 65 ILE HD13 H 1 0.86 0.03 . 1 . . . . 65 ILE HD1 . 15543 1 298 . 1 1 65 65 ILE HG12 H 1 0.85 0.03 . 2 . . . . 65 ILE HG12 . 15543 1 299 . 1 1 65 65 ILE HG13 H 1 1.16 0.03 . 2 . . . . 65 ILE HG13 . 15543 1 300 . 1 1 65 65 ILE HG21 H 1 0.95 0.03 . 1 . . . . 65 ILE HG2 . 15543 1 301 . 1 1 65 65 ILE HG22 H 1 0.95 0.03 . 1 . . . . 65 ILE HG2 . 15543 1 302 . 1 1 65 65 ILE HG23 H 1 0.95 0.03 . 1 . . . . 65 ILE HG2 . 15543 1 303 . 1 1 65 65 ILE CA C 13 61.31 0.30 . 1 . . . . 65 ILE CA . 15543 1 304 . 1 1 65 65 ILE CB C 13 38.47 0.30 . 1 . . . . 65 ILE CB . 15543 1 305 . 1 1 65 65 ILE CD1 C 13 13.73 0.30 . 1 . . . . 65 ILE CD1 . 15543 1 306 . 1 1 65 65 ILE CG1 C 13 26.70 0.30 . 1 . . . . 65 ILE CG1 . 15543 1 307 . 1 1 65 65 ILE CG2 C 13 17.93 0.30 . 1 . . . . 65 ILE CG2 . 15543 1 308 . 1 1 65 65 ILE N N 15 124.53 0.20 . 1 . . . . 65 ILE N . 15543 1 309 . 1 1 66 66 ASP H H 1 7.52 0.03 . 1 . . . . 66 ASP H . 15543 1 310 . 1 1 66 66 ASP HA H 1 4.70 0.03 . 1 . . . . 66 ASP HA . 15543 1 311 . 1 1 66 66 ASP HB2 H 1 2.35 0.03 . 2 . . . . 66 ASP HB2 . 15543 1 312 . 1 1 66 66 ASP HB3 H 1 2.73 0.03 . 2 . . . . 66 ASP HB3 . 15543 1 313 . 1 1 66 66 ASP CA C 13 55.52 0.30 . 1 . . . . 66 ASP CA . 15543 1 314 . 1 1 66 66 ASP CB C 13 45.29 0.30 . 1 . . . . 66 ASP CB . 15543 1 315 . 1 1 66 66 ASP N N 15 119.14 0.20 . 1 . . . . 66 ASP N . 15543 1 316 . 1 1 67 67 LEU H H 1 8.23 0.03 . 1 . . . . 67 LEU H . 15543 1 317 . 1 1 67 67 LEU HA H 1 4.98 0.03 . 1 . . . . 67 LEU HA . 15543 1 318 . 1 1 67 67 LEU HB2 H 1 1.28 0.03 . 2 . . . . 67 LEU HB2 . 15543 1 319 . 1 1 67 67 LEU HB3 H 1 1.82 0.03 . 2 . . . . 67 LEU HB3 . 15543 1 320 . 1 1 67 67 LEU HD11 H 1 0.82 0.03 . 2 . . . . 67 LEU HD1 . 15543 1 321 . 1 1 67 67 LEU HD12 H 1 0.82 0.03 . 2 . . . . 67 LEU HD1 . 15543 1 322 . 1 1 67 67 LEU HD13 H 1 0.82 0.03 . 2 . . . . 67 LEU HD1 . 15543 1 323 . 1 1 67 67 LEU HD21 H 1 1.45 0.03 . 2 . . . . 67 LEU HD2 . 15543 1 324 . 1 1 67 67 LEU HD22 H 1 1.45 0.03 . 2 . . . . 67 LEU HD2 . 15543 1 325 . 1 1 67 67 LEU HD23 H 1 1.45 0.03 . 2 . . . . 67 LEU HD2 . 15543 1 326 . 1 1 67 67 LEU CA C 13 54.98 0.30 . 1 . . . . 67 LEU CA . 15543 1 327 . 1 1 67 67 LEU CB C 13 44.44 0.30 . 1 . . . . 67 LEU CB . 15543 1 328 . 1 1 67 67 LEU CD1 C 13 25.09 0.30 . 2 . . . . 67 LEU CD1 . 15543 1 329 . 1 1 67 67 LEU CD2 C 13 28.59 0.30 . 2 . . . . 67 LEU CD2 . 15543 1 330 . 1 1 67 67 LEU N N 15 127.89 0.20 . 1 . . . . 67 LEU N . 15543 1 331 . 1 1 68 68 SER H H 1 8.81 0.03 . 1 . . . . 68 SER H . 15543 1 332 . 1 1 68 68 SER HA H 1 4.97 0.03 . 1 . . . . 68 SER HA . 15543 1 333 . 1 1 68 68 SER HB2 H 1 3.96 0.03 . 2 . . . . 68 SER HB2 . 15543 1 334 . 1 1 68 68 SER HB3 H 1 4.05 0.03 . 2 . . . . 68 SER HB3 . 15543 1 335 . 1 1 68 68 SER CA C 13 57.17 0.30 . 1 . . . . 68 SER CA . 15543 1 336 . 1 1 68 68 SER CB C 13 65.32 0.30 . 1 . . . . 68 SER CB . 15543 1 337 . 1 1 68 68 SER N N 15 122.56 0.20 . 1 . . . . 68 SER N . 15543 1 338 . 1 1 69 69 MET H H 1 9.05 0.03 . 1 . . . . 69 MET H . 15543 1 339 . 1 1 69 69 MET HA H 1 4.74 0.03 . 1 . . . . 69 MET HA . 15543 1 340 . 1 1 69 69 MET HE1 H 1 1.79 0.03 . 1 . . . . 69 MET HE . 15543 1 341 . 1 1 69 69 MET HE2 H 1 1.79 0.03 . 1 . . . . 69 MET HE . 15543 1 342 . 1 1 69 69 MET HE3 H 1 1.79 0.03 . 1 . . . . 69 MET HE . 15543 1 343 . 1 1 69 69 MET HG2 H 1 2.43 0.03 . 2 . . . . 69 MET HG2 . 15543 1 344 . 1 1 69 69 MET HG3 H 1 2.63 0.03 . 2 . . . . 69 MET HG3 . 15543 1 345 . 1 1 69 69 MET CA C 13 54.52 0.30 . 1 . . . . 69 MET CA . 15543 1 346 . 1 1 69 69 MET CE C 13 15.87 0.30 . 1 . . . . 69 MET CE . 15543 1 347 . 1 1 69 69 MET CG C 13 31.91 0.30 . 1 . . . . 69 MET CG . 15543 1 348 . 1 1 69 69 MET N N 15 122.42 0.20 . 1 . . . . 69 MET N . 15543 1 349 . 1 1 70 70 ASP H H 1 8.62 0.03 . 1 . . . . 70 ASP H . 15543 1 350 . 1 1 70 70 ASP HA H 1 5.14 0.03 . 1 . . . . 70 ASP HA . 15543 1 351 . 1 1 70 70 ASP HB2 H 1 2.28 0.03 . 2 . . . . 70 ASP HB2 . 15543 1 352 . 1 1 70 70 ASP HB3 H 1 3.59 0.03 . 2 . . . . 70 ASP HB3 . 15543 1 353 . 1 1 70 70 ASP CA C 13 51.41 0.30 . 1 . . . . 70 ASP CA . 15543 1 354 . 1 1 70 70 ASP CB C 13 40.93 0.30 . 1 . . . . 70 ASP CB . 15543 1 355 . 1 1 70 70 ASP N N 15 120.62 0.20 . 1 . . . . 70 ASP N . 15543 1 356 . 1 1 71 71 PRO HA H 1 4.76 0.03 . 1 . . . . 71 PRO HA . 15543 1 357 . 1 1 71 71 PRO HD2 H 1 3.61 0.03 . 2 . . . . 71 PRO HD2 . 15543 1 358 . 1 1 71 71 PRO HD3 H 1 3.85 0.03 . 2 . . . . 71 PRO HD3 . 15543 1 359 . 1 1 71 71 PRO CA C 13 66.38 0.30 . 1 . . . . 71 PRO CA . 15543 1 360 . 1 1 71 71 PRO CD C 13 49.73 0.30 . 1 . . . . 71 PRO CD . 15543 1 361 . 1 1 72 72 PRO HA H 1 4.52 0.03 . 1 . . . . 72 PRO HA . 15543 1 362 . 1 1 72 72 PRO HB2 H 1 1.77 0.03 . 2 . . . . 72 PRO HB2 . 15543 1 363 . 1 1 72 72 PRO HB3 H 1 2.51 0.03 . 2 . . . . 72 PRO HB3 . 15543 1 364 . 1 1 72 72 PRO HD2 H 1 3.75 0.03 . 2 . . . . 72 PRO HD2 . 15543 1 365 . 1 1 72 72 PRO HD3 H 1 4.02 0.03 . 2 . . . . 72 PRO HD3 . 15543 1 366 . 1 1 72 72 PRO HG2 H 1 2.17 0.03 . 2 . . . . 72 PRO HG2 . 15543 1 367 . 1 1 72 72 PRO HG3 H 1 2.17 0.03 . 2 . . . . 72 PRO HG3 . 15543 1 368 . 1 1 72 72 PRO CA C 13 65.75 0.30 . 1 . . . . 72 PRO CA . 15543 1 369 . 1 1 72 72 PRO CB C 13 31.57 0.30 . 1 . . . . 72 PRO CB . 15543 1 370 . 1 1 72 72 PRO CD C 13 50.22 0.30 . 1 . . . . 72 PRO CD . 15543 1 371 . 1 1 73 73 ARG H H 1 7.36 0.03 . 1 . . . . 73 ARG H . 15543 1 372 . 1 1 73 73 ARG HA H 1 4.57 0.03 . 1 . . . . 73 ARG HA . 15543 1 373 . 1 1 73 73 ARG HB2 H 1 1.66 0.03 . 2 . . . . 73 ARG HB2 . 15543 1 374 . 1 1 73 73 ARG HB3 H 1 1.84 0.03 . 2 . . . . 73 ARG HB3 . 15543 1 375 . 1 1 73 73 ARG HD2 H 1 3.36 0.03 . 2 . . . . 73 ARG HD2 . 15543 1 376 . 1 1 73 73 ARG HD3 H 1 3.42 0.03 . 2 . . . . 73 ARG HD3 . 15543 1 377 . 1 1 73 73 ARG HG3 H 1 2.40 0.03 . 2 . . . . 73 ARG HG3 . 15543 1 378 . 1 1 73 73 ARG CA C 13 55.16 0.30 . 1 . . . . 73 ARG CA . 15543 1 379 . 1 1 73 73 ARG CB C 13 29.00 0.30 . 1 . . . . 73 ARG CB . 15543 1 380 . 1 1 73 73 ARG CD C 13 43.10 0.30 . 1 . . . . 73 ARG CD . 15543 1 381 . 1 1 73 73 ARG CG C 13 31.25 0.30 . 1 . . . . 73 ARG CG . 15543 1 382 . 1 1 73 73 ARG N N 15 114.56 0.20 . 1 . . . . 73 ARG N . 15543 1 383 . 1 1 74 74 ASN H H 1 8.44 0.03 . 1 . . . . 74 ASN H . 15543 1 384 . 1 1 74 74 ASN HA H 1 4.27 0.03 . 1 . . . . 74 ASN HA . 15543 1 385 . 1 1 74 74 ASN HB2 H 1 2.44 0.03 . 2 . . . . 74 ASN HB2 . 15543 1 386 . 1 1 74 74 ASN HB3 H 1 2.79 0.03 . 2 . . . . 74 ASN HB3 . 15543 1 387 . 1 1 74 74 ASN HD21 H 1 7.18 0.03 . 1 . . . . 74 ASN HD21 . 15543 1 388 . 1 1 74 74 ASN HD22 H 1 6.99 0.03 . 1 . . . . 74 ASN HD22 . 15543 1 389 . 1 1 74 74 ASN CA C 13 53.83 0.30 . 1 . . . . 74 ASN CA . 15543 1 390 . 1 1 74 74 ASN CB C 13 37.50 0.30 . 1 . . . . 74 ASN CB . 15543 1 391 . 1 1 74 74 ASN N N 15 115.46 0.20 . 1 . . . . 74 ASN N . 15543 1 392 . 1 1 74 74 ASN ND2 N 15 112.83 0.20 . 1 . . . . 74 ASN ND2 . 15543 1 393 . 1 1 75 75 CYS H H 1 7.27 0.03 . 1 . . . . 75 CYS H . 15543 1 394 . 1 1 75 75 CYS HA H 1 5.73 0.03 . 1 . . . . 75 CYS HA . 15543 1 395 . 1 1 75 75 CYS HB3 H 1 2.52 0.03 . 2 . . . . 75 CYS HB3 . 15543 1 396 . 1 1 75 75 CYS CA C 13 55.42 0.30 . 1 . . . . 75 CYS CA . 15543 1 397 . 1 1 75 75 CYS CB C 13 32.64 0.30 . 1 . . . . 75 CYS CB . 15543 1 398 . 1 1 75 75 CYS N N 15 127.18 0.20 . 1 . . . . 75 CYS N . 15543 1 399 . 1 1 76 76 ALA H H 1 8.59 0.03 . 1 . . . . 76 ALA H . 15543 1 400 . 1 1 76 76 ALA HB1 H 1 1.01 0.03 . 1 . . . . 76 ALA HB . 15543 1 401 . 1 1 76 76 ALA HB2 H 1 1.01 0.03 . 1 . . . . 76 ALA HB . 15543 1 402 . 1 1 76 76 ALA HB3 H 1 1.01 0.03 . 1 . . . . 76 ALA HB . 15543 1 403 . 1 1 76 76 ALA CB C 13 24.40 0.30 . 1 . . . . 76 ALA CB . 15543 1 404 . 1 1 76 76 ALA N N 15 122.12 0.20 . 1 . . . . 76 ALA N . 15543 1 405 . 1 1 77 77 PHE H H 1 8.78 0.03 . 1 . . . . 77 PHE H . 15543 1 406 . 1 1 77 77 PHE HA H 1 5.62 0.03 . 1 . . . . 77 PHE HA . 15543 1 407 . 1 1 77 77 PHE CA C 13 55.85 0.30 . 1 . . . . 77 PHE CA . 15543 1 408 . 1 1 77 77 PHE N N 15 115.39 0.20 . 1 . . . . 77 PHE N . 15543 1 409 . 1 1 78 78 VAL H H 1 8.58 0.03 . 1 . . . . 78 VAL H . 15543 1 410 . 1 1 78 78 VAL HA H 1 4.30 0.03 . 1 . . . . 78 VAL HA . 15543 1 411 . 1 1 78 78 VAL HB H 1 1.45 0.03 . 1 . . . . 78 VAL HB . 15543 1 412 . 1 1 78 78 VAL HG11 H 1 0.24 0.03 . 2 . . . . 78 VAL HG1 . 15543 1 413 . 1 1 78 78 VAL HG12 H 1 0.24 0.03 . 2 . . . . 78 VAL HG1 . 15543 1 414 . 1 1 78 78 VAL HG13 H 1 0.24 0.03 . 2 . . . . 78 VAL HG1 . 15543 1 415 . 1 1 78 78 VAL HG21 H 1 0.06 0.03 . 2 . . . . 78 VAL HG2 . 15543 1 416 . 1 1 78 78 VAL HG22 H 1 0.06 0.03 . 2 . . . . 78 VAL HG2 . 15543 1 417 . 1 1 78 78 VAL HG23 H 1 0.06 0.03 . 2 . . . . 78 VAL HG2 . 15543 1 418 . 1 1 78 78 VAL CA C 13 60.96 0.30 . 1 . . . . 78 VAL CA . 15543 1 419 . 1 1 78 78 VAL CB C 13 34.36 0.30 . 1 . . . . 78 VAL CB . 15543 1 420 . 1 1 78 78 VAL CG1 C 13 20.42 0.30 . 2 . . . . 78 VAL CG1 . 15543 1 421 . 1 1 78 78 VAL CG2 C 13 19.33 0.30 . 2 . . . . 78 VAL CG2 . 15543 1 422 . 1 1 78 78 VAL N N 15 126.44 0.20 . 1 . . . . 78 VAL N . 15543 1 423 . 1 1 79 79 THR H H 1 8.96 0.03 . 1 . . . . 79 THR H . 15543 1 424 . 1 1 79 79 THR HA H 1 5.33 0.03 . 1 . . . . 79 THR HA . 15543 1 425 . 1 1 79 79 THR HB H 1 3.90 0.03 . 1 . . . . 79 THR HB . 15543 1 426 . 1 1 79 79 THR HG21 H 1 1.22 0.03 . 1 . . . . 79 THR HG2 . 15543 1 427 . 1 1 79 79 THR HG22 H 1 1.22 0.03 . 1 . . . . 79 THR HG2 . 15543 1 428 . 1 1 79 79 THR HG23 H 1 1.22 0.03 . 1 . . . . 79 THR HG2 . 15543 1 429 . 1 1 79 79 THR CA C 13 61.94 0.30 . 1 . . . . 79 THR CA . 15543 1 430 . 1 1 79 79 THR CB C 13 69.91 0.30 . 1 . . . . 79 THR CB . 15543 1 431 . 1 1 79 79 THR CG2 C 13 22.18 0.30 . 1 . . . . 79 THR CG2 . 15543 1 432 . 1 1 79 79 THR N N 15 123.99 0.20 . 1 . . . . 79 THR N . 15543 1 433 . 1 1 80 80 TYR H H 1 8.88 0.03 . 1 . . . . 80 TYR H . 15543 1 434 . 1 1 80 80 TYR HA H 1 5.40 0.03 . 1 . . . . 80 TYR HA . 15543 1 435 . 1 1 80 80 TYR HB2 H 1 2.79 0.03 . 2 . . . . 80 TYR HB2 . 15543 1 436 . 1 1 80 80 TYR HB3 H 1 3.70 0.03 . 2 . . . . 80 TYR HB3 . 15543 1 437 . 1 1 80 80 TYR CA C 13 57.66 0.30 . 1 . . . . 80 TYR CA . 15543 1 438 . 1 1 80 80 TYR CB C 13 42.22 0.30 . 1 . . . . 80 TYR CB . 15543 1 439 . 1 1 80 80 TYR N N 15 126.67 0.20 . 1 . . . . 80 TYR N . 15543 1 440 . 1 1 81 81 GLU H H 1 8.49 0.03 . 1 . . . . 81 GLU H . 15543 1 441 . 1 1 81 81 GLU HA H 1 4.11 0.03 . 1 . . . . 81 GLU HA . 15543 1 442 . 1 1 81 81 GLU HB2 H 1 2.27 0.03 . 2 . . . . 81 GLU HB2 . 15543 1 443 . 1 1 81 81 GLU HB3 H 1 2.33 0.03 . 2 . . . . 81 GLU HB3 . 15543 1 444 . 1 1 81 81 GLU HG2 H 1 2.37 0.03 . 2 . . . . 81 GLU HG2 . 15543 1 445 . 1 1 81 81 GLU HG3 H 1 2.52 0.03 . 2 . . . . 81 GLU HG3 . 15543 1 446 . 1 1 81 81 GLU CA C 13 59.29 0.30 . 1 . . . . 81 GLU CA . 15543 1 447 . 1 1 81 81 GLU CB C 13 31.21 0.30 . 1 . . . . 81 GLU CB . 15543 1 448 . 1 1 81 81 GLU CG C 13 36.41 0.30 . 1 . . . . 81 GLU CG . 15543 1 449 . 1 1 81 81 GLU N N 15 119.69 0.20 . 1 . . . . 81 GLU N . 15543 1 450 . 1 1 82 82 LYS H H 1 8.46 0.03 . 1 . . . . 82 LYS H . 15543 1 451 . 1 1 82 82 LYS HA H 1 5.02 0.03 . 1 . . . . 82 LYS HA . 15543 1 452 . 1 1 82 82 LYS HB3 H 1 2.26 0.03 . 2 . . . . 82 LYS HB3 . 15543 1 453 . 1 1 82 82 LYS HD3 H 1 1.86 0.03 . 2 . . . . 82 LYS HD3 . 15543 1 454 . 1 1 82 82 LYS HE3 H 1 3.12 0.03 . 2 . . . . 82 LYS HE3 . 15543 1 455 . 1 1 82 82 LYS HG2 H 1 1.61 0.03 . 2 . . . . 82 LYS HG2 . 15543 1 456 . 1 1 82 82 LYS HG3 H 1 1.65 0.03 . 2 . . . . 82 LYS HG3 . 15543 1 457 . 1 1 82 82 LYS CA C 13 54.14 0.30 . 1 . . . . 82 LYS CA . 15543 1 458 . 1 1 82 82 LYS CB C 13 34.42 0.30 . 1 . . . . 82 LYS CB . 15543 1 459 . 1 1 82 82 LYS CD C 13 29.06 0.30 . 1 . . . . 82 LYS CD . 15543 1 460 . 1 1 82 82 LYS CE C 13 41.95 0.30 . 1 . . . . 82 LYS CE . 15543 1 461 . 1 1 82 82 LYS CG C 13 25.00 0.30 . 1 . . . . 82 LYS CG . 15543 1 462 . 1 1 82 82 LYS N N 15 113.92 0.20 . 1 . . . . 82 LYS N . 15543 1 463 . 1 1 83 83 MET H H 1 9.10 0.03 . 1 . . . . 83 MET H . 15543 1 464 . 1 1 83 83 MET HA H 1 4.07 0.03 . 1 . . . . 83 MET HA . 15543 1 465 . 1 1 83 83 MET HB3 H 1 2.17 0.03 . 2 . . . . 83 MET HB3 . 15543 1 466 . 1 1 83 83 MET HG2 H 1 2.38 0.03 . 2 . . . . 83 MET HG2 . 15543 1 467 . 1 1 83 83 MET HG3 H 1 2.75 0.03 . 2 . . . . 83 MET HG3 . 15543 1 468 . 1 1 83 83 MET CA C 13 59.57 0.30 . 1 . . . . 83 MET CA . 15543 1 469 . 1 1 83 83 MET CB C 13 32.42 0.30 . 1 . . . . 83 MET CB . 15543 1 470 . 1 1 83 83 MET CG C 13 32.85 0.30 . 1 . . . . 83 MET CG . 15543 1 471 . 1 1 83 83 MET N N 15 122.53 0.20 . 1 . . . . 83 MET N . 15543 1 472 . 1 1 84 84 GLU H H 1 9.69 0.03 . 1 . . . . 84 GLU H . 15543 1 473 . 1 1 84 84 GLU HA H 1 4.24 0.03 . 1 . . . . 84 GLU HA . 15543 1 474 . 1 1 84 84 GLU HB3 H 1 2.14 0.03 . 2 . . . . 84 GLU HB3 . 15543 1 475 . 1 1 84 84 GLU HG2 H 1 2.43 0.03 . 2 . . . . 84 GLU HG2 . 15543 1 476 . 1 1 84 84 GLU HG3 H 1 2.55 0.03 . 2 . . . . 84 GLU HG3 . 15543 1 477 . 1 1 84 84 GLU CA C 13 60.04 0.30 . 1 . . . . 84 GLU CA . 15543 1 478 . 1 1 84 84 GLU CB C 13 28.64 0.30 . 1 . . . . 84 GLU CB . 15543 1 479 . 1 1 84 84 GLU CG C 13 36.78 0.30 . 1 . . . . 84 GLU CG . 15543 1 480 . 1 1 84 84 GLU N N 15 117.94 0.20 . 1 . . . . 84 GLU N . 15543 1 481 . 1 1 85 85 SER H H 1 7.11 0.03 . 1 . . . . 85 SER H . 15543 1 482 . 1 1 85 85 SER HA H 1 4.13 0.03 . 1 . . . . 85 SER HA . 15543 1 483 . 1 1 85 85 SER HB2 H 1 2.54 0.03 . 2 . . . . 85 SER HB2 . 15543 1 484 . 1 1 85 85 SER HB3 H 1 3.50 0.03 . 2 . . . . 85 SER HB3 . 15543 1 485 . 1 1 85 85 SER CA C 13 61.84 0.30 . 1 . . . . 85 SER CA . 15543 1 486 . 1 1 85 85 SER CB C 13 62.40 0.30 . 1 . . . . 85 SER CB . 15543 1 487 . 1 1 85 85 SER N N 15 115.50 0.20 . 1 . . . . 85 SER N . 15543 1 488 . 1 1 86 86 ALA H H 1 6.86 0.03 . 1 . . . . 86 ALA H . 15543 1 489 . 1 1 86 86 ALA HA H 1 4.08 0.03 . 1 . . . . 86 ALA HA . 15543 1 490 . 1 1 86 86 ALA HB1 H 1 1.77 0.03 . 1 . . . . 86 ALA HB . 15543 1 491 . 1 1 86 86 ALA HB2 H 1 1.77 0.03 . 1 . . . . 86 ALA HB . 15543 1 492 . 1 1 86 86 ALA HB3 H 1 1.77 0.03 . 1 . . . . 86 ALA HB . 15543 1 493 . 1 1 86 86 ALA CA C 13 55.21 0.30 . 1 . . . . 86 ALA CA . 15543 1 494 . 1 1 86 86 ALA CB C 13 18.07 0.30 . 1 . . . . 86 ALA CB . 15543 1 495 . 1 1 86 86 ALA N N 15 122.76 0.20 . 1 . . . . 86 ALA N . 15543 1 496 . 1 1 87 87 ASP H H 1 7.68 0.03 . 1 . . . . 87 ASP H . 15543 1 497 . 1 1 87 87 ASP HA H 1 4.39 0.03 . 1 . . . . 87 ASP HA . 15543 1 498 . 1 1 87 87 ASP HB2 H 1 2.74 0.03 . 2 . . . . 87 ASP HB2 . 15543 1 499 . 1 1 87 87 ASP HB3 H 1 2.81 0.03 . 2 . . . . 87 ASP HB3 . 15543 1 500 . 1 1 87 87 ASP CA C 13 57.47 0.30 . 1 . . . . 87 ASP CA . 15543 1 501 . 1 1 87 87 ASP CB C 13 40.85 0.30 . 1 . . . . 87 ASP CB . 15543 1 502 . 1 1 87 87 ASP N N 15 115.98 0.20 . 1 . . . . 87 ASP N . 15543 1 503 . 1 1 88 88 GLN H H 1 7.67 0.03 . 1 . . . . 88 GLN H . 15543 1 504 . 1 1 88 88 GLN HA H 1 4.04 0.03 . 1 . . . . 88 GLN HA . 15543 1 505 . 1 1 88 88 GLN HB2 H 1 2.14 0.03 . 2 . . . . 88 GLN HB2 . 15543 1 506 . 1 1 88 88 GLN HB3 H 1 2.22 0.03 . 2 . . . . 88 GLN HB3 . 15543 1 507 . 1 1 88 88 GLN HE21 H 1 7.82 0.03 . 1 . . . . 88 GLN HE21 . 15543 1 508 . 1 1 88 88 GLN HE22 H 1 6.88 0.03 . 1 . . . . 88 GLN HE22 . 15543 1 509 . 1 1 88 88 GLN HG2 H 1 2.43 0.03 . 2 . . . . 88 GLN HG2 . 15543 1 510 . 1 1 88 88 GLN HG3 H 1 2.62 0.03 . 2 . . . . 88 GLN HG3 . 15543 1 511 . 1 1 88 88 GLN CA C 13 58.50 0.30 . 1 . . . . 88 GLN CA . 15543 1 512 . 1 1 88 88 GLN CB C 13 28.27 0.30 . 1 . . . . 88 GLN CB . 15543 1 513 . 1 1 88 88 GLN CG C 13 33.78 0.30 . 1 . . . . 88 GLN CG . 15543 1 514 . 1 1 88 88 GLN N N 15 119.92 0.20 . 1 . . . . 88 GLN N . 15543 1 515 . 1 1 88 88 GLN NE2 N 15 111.45 0.20 . 1 . . . . 88 GLN NE2 . 15543 1 516 . 1 1 89 89 ALA H H 1 7.95 0.03 . 1 . . . . 89 ALA H . 15543 1 517 . 1 1 89 89 ALA HA H 1 2.80 0.03 . 1 . . . . 89 ALA HA . 15543 1 518 . 1 1 89 89 ALA HB1 H 1 1.54 0.03 . 1 . . . . 89 ALA HB . 15543 1 519 . 1 1 89 89 ALA HB2 H 1 1.54 0.03 . 1 . . . . 89 ALA HB . 15543 1 520 . 1 1 89 89 ALA HB3 H 1 1.54 0.03 . 1 . . . . 89 ALA HB . 15543 1 521 . 1 1 89 89 ALA CA C 13 54.93 0.30 . 1 . . . . 89 ALA CA . 15543 1 522 . 1 1 89 89 ALA CB C 13 19.34 0.30 . 1 . . . . 89 ALA CB . 15543 1 523 . 1 1 89 89 ALA N N 15 121.33 0.20 . 1 . . . . 89 ALA N . 15543 1 524 . 1 1 90 90 VAL H H 1 8.03 0.03 . 1 . . . . 90 VAL H . 15543 1 525 . 1 1 90 90 VAL HA H 1 3.37 0.03 . 1 . . . . 90 VAL HA . 15543 1 526 . 1 1 90 90 VAL HB H 1 2.20 0.03 . 1 . . . . 90 VAL HB . 15543 1 527 . 1 1 90 90 VAL HG11 H 1 1.13 0.03 . 2 . . . . 90 VAL HG1 . 15543 1 528 . 1 1 90 90 VAL HG12 H 1 1.13 0.03 . 2 . . . . 90 VAL HG1 . 15543 1 529 . 1 1 90 90 VAL HG13 H 1 1.13 0.03 . 2 . . . . 90 VAL HG1 . 15543 1 530 . 1 1 90 90 VAL HG21 H 1 1.13 0.03 . 2 . . . . 90 VAL HG2 . 15543 1 531 . 1 1 90 90 VAL HG22 H 1 1.13 0.03 . 2 . . . . 90 VAL HG2 . 15543 1 532 . 1 1 90 90 VAL HG23 H 1 1.13 0.03 . 2 . . . . 90 VAL HG2 . 15543 1 533 . 1 1 90 90 VAL CA C 13 67.09 0.30 . 1 . . . . 90 VAL CA . 15543 1 534 . 1 1 90 90 VAL CB C 13 32.18 0.30 . 1 . . . . 90 VAL CB . 15543 1 535 . 1 1 90 90 VAL CG1 C 13 21.32 0.30 . 2 . . . . 90 VAL CG1 . 15543 1 536 . 1 1 90 90 VAL CG2 C 13 24.38 0.30 . 2 . . . . 90 VAL CG2 . 15543 1 537 . 1 1 90 90 VAL N N 15 116.63 0.20 . 1 . . . . 90 VAL N . 15543 1 538 . 1 1 91 91 ALA H H 1 7.35 0.03 . 1 . . . . 91 ALA H . 15543 1 539 . 1 1 91 91 ALA HA H 1 4.13 0.03 . 1 . . . . 91 ALA HA . 15543 1 540 . 1 1 91 91 ALA HB1 H 1 1.57 0.03 . 1 . . . . 91 ALA HB . 15543 1 541 . 1 1 91 91 ALA HB2 H 1 1.57 0.03 . 1 . . . . 91 ALA HB . 15543 1 542 . 1 1 91 91 ALA HB3 H 1 1.57 0.03 . 1 . . . . 91 ALA HB . 15543 1 543 . 1 1 91 91 ALA CA C 13 54.81 0.30 . 1 . . . . 91 ALA CA . 15543 1 544 . 1 1 91 91 ALA CB C 13 18.33 0.30 . 1 . . . . 91 ALA CB . 15543 1 545 . 1 1 91 91 ALA N N 15 119.62 0.20 . 1 . . . . 91 ALA N . 15543 1 546 . 1 1 92 92 GLU H H 1 7.96 0.03 . 1 . . . . 92 GLU H . 15543 1 547 . 1 1 92 92 GLU HA H 1 4.36 0.03 . 1 . . . . 92 GLU HA . 15543 1 548 . 1 1 92 92 GLU HB2 H 1 1.75 0.03 . 2 . . . . 92 GLU HB2 . 15543 1 549 . 1 1 92 92 GLU HB3 H 1 2.16 0.03 . 2 . . . . 92 GLU HB3 . 15543 1 550 . 1 1 92 92 GLU HG2 H 1 2.35 0.03 . 2 . . . . 92 GLU HG2 . 15543 1 551 . 1 1 92 92 GLU HG3 H 1 2.44 0.03 . 2 . . . . 92 GLU HG3 . 15543 1 552 . 1 1 92 92 GLU CA C 13 57.93 0.30 . 1 . . . . 92 GLU CA . 15543 1 553 . 1 1 92 92 GLU CB C 13 30.98 0.30 . 1 . . . . 92 GLU CB . 15543 1 554 . 1 1 92 92 GLU CG C 13 36.61 0.30 . 1 . . . . 92 GLU CG . 15543 1 555 . 1 1 92 92 GLU N N 15 113.77 0.20 . 1 . . . . 92 GLU N . 15543 1 556 . 1 1 93 93 LEU H H 1 8.31 0.03 . 1 . . . . 93 LEU H . 15543 1 557 . 1 1 93 93 LEU HA H 1 4.62 0.03 . 1 . . . . 93 LEU HA . 15543 1 558 . 1 1 93 93 LEU HB2 H 1 1.13 0.03 . 2 . . . . 93 LEU HB2 . 15543 1 559 . 1 1 93 93 LEU HB3 H 1 1.81 0.03 . 2 . . . . 93 LEU HB3 . 15543 1 560 . 1 1 93 93 LEU HD11 H 1 0.75 0.03 . 2 . . . . 93 LEU HD1 . 15543 1 561 . 1 1 93 93 LEU HD12 H 1 0.75 0.03 . 2 . . . . 93 LEU HD1 . 15543 1 562 . 1 1 93 93 LEU HD13 H 1 0.75 0.03 . 2 . . . . 93 LEU HD1 . 15543 1 563 . 1 1 93 93 LEU HD21 H 1 0.05 0.03 . 2 . . . . 93 LEU HD2 . 15543 1 564 . 1 1 93 93 LEU HD22 H 1 0.05 0.03 . 2 . . . . 93 LEU HD2 . 15543 1 565 . 1 1 93 93 LEU HD23 H 1 0.05 0.03 . 2 . . . . 93 LEU HD2 . 15543 1 566 . 1 1 93 93 LEU HG H 1 1.41 0.03 . 1 . . . . 93 LEU HG . 15543 1 567 . 1 1 93 93 LEU CA C 13 55.81 0.30 . 1 . . . . 93 LEU CA . 15543 1 568 . 1 1 93 93 LEU CB C 13 44.13 0.30 . 1 . . . . 93 LEU CB . 15543 1 569 . 1 1 93 93 LEU CD1 C 13 22.63 0.30 . 2 . . . . 93 LEU CD1 . 15543 1 570 . 1 1 93 93 LEU CD2 C 13 25.33 0.30 . 2 . . . . 93 LEU CD2 . 15543 1 571 . 1 1 93 93 LEU CG C 13 26.77 0.30 . 1 . . . . 93 LEU CG . 15543 1 572 . 1 1 93 93 LEU N N 15 114.55 0.20 . 1 . . . . 93 LEU N . 15543 1 573 . 1 1 94 94 ASN H H 1 7.91 0.03 . 1 . . . . 94 ASN H . 15543 1 574 . 1 1 94 94 ASN HA H 1 4.43 0.03 . 1 . . . . 94 ASN HA . 15543 1 575 . 1 1 94 94 ASN HD21 H 1 7.93 0.03 . 1 . . . . 94 ASN HD21 . 15543 1 576 . 1 1 94 94 ASN HD22 H 1 7.21 0.03 . 1 . . . . 94 ASN HD22 . 15543 1 577 . 1 1 94 94 ASN CA C 13 56.69 0.30 . 1 . . . . 94 ASN CA . 15543 1 578 . 1 1 94 94 ASN N N 15 116.84 0.20 . 1 . . . . 94 ASN N . 15543 1 579 . 1 1 94 94 ASN ND2 N 15 115.40 0.20 . 1 . . . . 94 ASN ND2 . 15543 1 580 . 1 1 95 95 GLY H H 1 8.89 0.03 . 1 . . . . 95 GLY H . 15543 1 581 . 1 1 95 95 GLY HA2 H 1 3.96 0.03 . 2 . . . . 95 GLY HA2 . 15543 1 582 . 1 1 95 95 GLY HA3 H 1 4.29 0.03 . 2 . . . . 95 GLY HA3 . 15543 1 583 . 1 1 95 95 GLY CA C 13 46.09 0.30 . 1 . . . . 95 GLY CA . 15543 1 584 . 1 1 95 95 GLY N N 15 116.35 0.20 . 1 . . . . 95 GLY N . 15543 1 585 . 1 1 96 96 THR H H 1 7.86 0.03 . 1 . . . . 96 THR H . 15543 1 586 . 1 1 96 96 THR HA H 1 4.66 0.03 . 1 . . . . 96 THR HA . 15543 1 587 . 1 1 96 96 THR HB H 1 4.27 0.03 . 1 . . . . 96 THR HB . 15543 1 588 . 1 1 96 96 THR HG21 H 1 1.25 0.03 . 1 . . . . 96 THR HG2 . 15543 1 589 . 1 1 96 96 THR HG22 H 1 1.25 0.03 . 1 . . . . 96 THR HG2 . 15543 1 590 . 1 1 96 96 THR HG23 H 1 1.25 0.03 . 1 . . . . 96 THR HG2 . 15543 1 591 . 1 1 96 96 THR CA C 13 60.88 0.30 . 1 . . . . 96 THR CA . 15543 1 592 . 1 1 96 96 THR CB C 13 71.09 0.30 . 1 . . . . 96 THR CB . 15543 1 593 . 1 1 96 96 THR CG2 C 13 21.65 0.30 . 1 . . . . 96 THR CG2 . 15543 1 594 . 1 1 96 96 THR N N 15 113.92 0.20 . 1 . . . . 96 THR N . 15543 1 595 . 1 1 97 97 GLN H H 1 8.36 0.03 . 1 . . . . 97 GLN H . 15543 1 596 . 1 1 97 97 GLN HA H 1 5.21 0.03 . 1 . . . . 97 GLN HA . 15543 1 597 . 1 1 97 97 GLN HB2 H 1 1.88 0.03 . 2 . . . . 97 GLN HB2 . 15543 1 598 . 1 1 97 97 GLN HB3 H 1 1.95 0.03 . 2 . . . . 97 GLN HB3 . 15543 1 599 . 1 1 97 97 GLN HE21 H 1 7.49 0.03 . 1 . . . . 97 GLN HE21 . 15543 1 600 . 1 1 97 97 GLN HE22 H 1 6.82 0.03 . 1 . . . . 97 GLN HE22 . 15543 1 601 . 1 1 97 97 GLN HG3 H 1 2.12 0.03 . 2 . . . . 97 GLN HG3 . 15543 1 602 . 1 1 97 97 GLN CA C 13 54.17 0.30 . 1 . . . . 97 GLN CA . 15543 1 603 . 1 1 97 97 GLN CB C 13 30.47 0.30 . 1 . . . . 97 GLN CB . 15543 1 604 . 1 1 97 97 GLN CG C 13 33.85 0.30 . 1 . . . . 97 GLN CG . 15543 1 605 . 1 1 97 97 GLN N N 15 119.55 0.20 . 1 . . . . 97 GLN N . 15543 1 606 . 1 1 97 97 GLN NE2 N 15 110.85 0.20 . 1 . . . . 97 GLN NE2 . 15543 1 607 . 1 1 98 98 VAL H H 1 8.90 0.03 . 1 . . . . 98 VAL H . 15543 1 608 . 1 1 98 98 VAL HA H 1 4.20 0.03 . 1 . . . . 98 VAL HA . 15543 1 609 . 1 1 98 98 VAL HB H 1 1.91 0.03 . 1 . . . . 98 VAL HB . 15543 1 610 . 1 1 98 98 VAL HG11 H 1 0.98 0.03 . 2 . . . . 98 VAL HG1 . 15543 1 611 . 1 1 98 98 VAL HG12 H 1 0.98 0.03 . 2 . . . . 98 VAL HG1 . 15543 1 612 . 1 1 98 98 VAL HG13 H 1 0.98 0.03 . 2 . . . . 98 VAL HG1 . 15543 1 613 . 1 1 98 98 VAL HG21 H 1 0.91 0.03 . 2 . . . . 98 VAL HG2 . 15543 1 614 . 1 1 98 98 VAL HG22 H 1 0.91 0.03 . 2 . . . . 98 VAL HG2 . 15543 1 615 . 1 1 98 98 VAL HG23 H 1 0.91 0.03 . 2 . . . . 98 VAL HG2 . 15543 1 616 . 1 1 98 98 VAL CA C 13 61.35 0.30 . 1 . . . . 98 VAL CA . 15543 1 617 . 1 1 98 98 VAL CB C 13 33.60 0.30 . 1 . . . . 98 VAL CB . 15543 1 618 . 1 1 98 98 VAL CG1 C 13 21.70 0.30 . 2 . . . . 98 VAL CG1 . 15543 1 619 . 1 1 98 98 VAL CG2 C 13 21.10 0.30 . 2 . . . . 98 VAL CG2 . 15543 1 620 . 1 1 98 98 VAL N N 15 127.26 0.20 . 1 . . . . 98 VAL N . 15543 1 621 . 1 1 99 99 GLU H H 1 9.16 0.03 . 1 . . . . 99 GLU H . 15543 1 622 . 1 1 99 99 GLU HA H 1 3.82 0.03 . 1 . . . . 99 GLU HA . 15543 1 623 . 1 1 99 99 GLU HB3 H 1 2.22 0.03 . 2 . . . . 99 GLU HB3 . 15543 1 624 . 1 1 99 99 GLU HG3 H 1 2.33 0.03 . 2 . . . . 99 GLU HG3 . 15543 1 625 . 1 1 99 99 GLU CA C 13 57.95 0.30 . 1 . . . . 99 GLU CA . 15543 1 626 . 1 1 99 99 GLU CB C 13 27.11 0.30 . 1 . . . . 99 GLU CB . 15543 1 627 . 1 1 99 99 GLU CG C 13 36.41 0.30 . 1 . . . . 99 GLU CG . 15543 1 628 . 1 1 99 99 GLU N N 15 124.20 0.20 . 1 . . . . 99 GLU N . 15543 1 629 . 1 1 100 100 SER H H 1 8.33 0.03 . 1 . . . . 100 SER H . 15543 1 630 . 1 1 100 100 SER HA H 1 4.28 0.03 . 1 . . . . 100 SER HA . 15543 1 631 . 1 1 100 100 SER HB2 H 1 4.03 0.03 . 2 . . . . 100 SER HB2 . 15543 1 632 . 1 1 100 100 SER HB3 H 1 4.23 0.03 . 2 . . . . 100 SER HB3 . 15543 1 633 . 1 1 100 100 SER CA C 13 59.78 0.30 . 1 . . . . 100 SER CA . 15543 1 634 . 1 1 100 100 SER CB C 13 63.30 0.30 . 1 . . . . 100 SER CB . 15543 1 635 . 1 1 100 100 SER N N 15 111.66 0.20 . 1 . . . . 100 SER N . 15543 1 636 . 1 1 101 101 VAL H H 1 8.41 0.03 . 1 . . . . 101 VAL H . 15543 1 637 . 1 1 101 101 VAL HA H 1 4.21 0.03 . 1 . . . . 101 VAL HA . 15543 1 638 . 1 1 101 101 VAL HB H 1 2.31 0.03 . 1 . . . . 101 VAL HB . 15543 1 639 . 1 1 101 101 VAL HG11 H 1 0.94 0.03 . 2 . . . . 101 VAL HG1 . 15543 1 640 . 1 1 101 101 VAL HG12 H 1 0.94 0.03 . 2 . . . . 101 VAL HG1 . 15543 1 641 . 1 1 101 101 VAL HG13 H 1 0.94 0.03 . 2 . . . . 101 VAL HG1 . 15543 1 642 . 1 1 101 101 VAL HG21 H 1 0.82 0.03 . 2 . . . . 101 VAL HG2 . 15543 1 643 . 1 1 101 101 VAL HG22 H 1 0.82 0.03 . 2 . . . . 101 VAL HG2 . 15543 1 644 . 1 1 101 101 VAL HG23 H 1 0.82 0.03 . 2 . . . . 101 VAL HG2 . 15543 1 645 . 1 1 101 101 VAL CA C 13 62.08 0.30 . 1 . . . . 101 VAL CA . 15543 1 646 . 1 1 101 101 VAL CB C 13 33.20 0.30 . 1 . . . . 101 VAL CB . 15543 1 647 . 1 1 101 101 VAL CG1 C 13 21.31 0.30 . 2 . . . . 101 VAL CG1 . 15543 1 648 . 1 1 101 101 VAL CG2 C 13 21.51 0.30 . 2 . . . . 101 VAL CG2 . 15543 1 649 . 1 1 101 101 VAL N N 15 124.55 0.20 . 1 . . . . 101 VAL N . 15543 1 650 . 1 1 102 102 GLN H H 1 8.51 0.03 . 1 . . . . 102 GLN H . 15543 1 651 . 1 1 102 102 GLN HA H 1 4.59 0.03 . 1 . . . . 102 GLN HA . 15543 1 652 . 1 1 102 102 GLN HB2 H 1 2.04 0.03 . 2 . . . . 102 GLN HB2 . 15543 1 653 . 1 1 102 102 GLN HB3 H 1 2.13 0.03 . 2 . . . . 102 GLN HB3 . 15543 1 654 . 1 1 102 102 GLN HE21 H 1 7.51 0.03 . 1 . . . . 102 GLN HE21 . 15543 1 655 . 1 1 102 102 GLN HE22 H 1 6.73 0.03 . 1 . . . . 102 GLN HE22 . 15543 1 656 . 1 1 102 102 GLN HG2 H 1 2.25 0.03 . 2 . . . . 102 GLN HG2 . 15543 1 657 . 1 1 102 102 GLN HG3 H 1 2.29 0.03 . 2 . . . . 102 GLN HG3 . 15543 1 658 . 1 1 102 102 GLN CA C 13 55.09 0.30 . 1 . . . . 102 GLN CA . 15543 1 659 . 1 1 102 102 GLN CB C 13 28.62 0.30 . 1 . . . . 102 GLN CB . 15543 1 660 . 1 1 102 102 GLN CG C 13 33.54 0.30 . 1 . . . . 102 GLN CG . 15543 1 661 . 1 1 102 102 GLN N N 15 127.32 0.20 . 1 . . . . 102 GLN N . 15543 1 662 . 1 1 102 102 GLN NE2 N 15 110.98 0.20 . 1 . . . . 102 GLN NE2 . 15543 1 663 . 1 1 103 103 LEU H H 1 8.71 0.03 . 1 . . . . 103 LEU H . 15543 1 664 . 1 1 103 103 LEU HA H 1 5.05 0.03 . 1 . . . . 103 LEU HA . 15543 1 665 . 1 1 103 103 LEU HB2 H 1 1.16 0.03 . 2 . . . . 103 LEU HB2 . 15543 1 666 . 1 1 103 103 LEU HB3 H 1 2.07 0.03 . 2 . . . . 103 LEU HB3 . 15543 1 667 . 1 1 103 103 LEU HD11 H 1 0.75 0.03 . 2 . . . . 103 LEU HD1 . 15543 1 668 . 1 1 103 103 LEU HD12 H 1 0.75 0.03 . 2 . . . . 103 LEU HD1 . 15543 1 669 . 1 1 103 103 LEU HD13 H 1 0.75 0.03 . 2 . . . . 103 LEU HD1 . 15543 1 670 . 1 1 103 103 LEU HD21 H 1 0.68 0.03 . 2 . . . . 103 LEU HD2 . 15543 1 671 . 1 1 103 103 LEU HD22 H 1 0.68 0.03 . 2 . . . . 103 LEU HD2 . 15543 1 672 . 1 1 103 103 LEU HD23 H 1 0.68 0.03 . 2 . . . . 103 LEU HD2 . 15543 1 673 . 1 1 103 103 LEU HG H 1 1.83 0.03 . 1 . . . . 103 LEU HG . 15543 1 674 . 1 1 103 103 LEU CA C 13 54.74 0.30 . 1 . . . . 103 LEU CA . 15543 1 675 . 1 1 103 103 LEU CB C 13 44.82 0.30 . 1 . . . . 103 LEU CB . 15543 1 676 . 1 1 103 103 LEU CD1 C 13 26.42 0.30 . 2 . . . . 103 LEU CD1 . 15543 1 677 . 1 1 103 103 LEU CD2 C 13 23.97 0.30 . 2 . . . . 103 LEU CD2 . 15543 1 678 . 1 1 103 103 LEU CG C 13 26.50 0.30 . 1 . . . . 103 LEU CG . 15543 1 679 . 1 1 103 103 LEU N N 15 126.61 0.20 . 1 . . . . 103 LEU N . 15543 1 680 . 1 1 104 104 LYS H H 1 8.69 0.03 . 1 . . . . 104 LYS H . 15543 1 681 . 1 1 104 104 LYS HA H 1 5.03 0.03 . 1 . . . . 104 LYS HA . 15543 1 682 . 1 1 104 104 LYS HB2 H 1 2.13 0.03 . 2 . . . . 104 LYS HB2 . 15543 1 683 . 1 1 104 104 LYS HB3 H 1 2.04 0.03 . 2 . . . . 104 LYS HB3 . 15543 1 684 . 1 1 104 104 LYS HD3 H 1 1.80 0.03 . 2 . . . . 104 LYS HD3 . 15543 1 685 . 1 1 104 104 LYS HE3 H 1 3.08 0.03 . 2 . . . . 104 LYS HE3 . 15543 1 686 . 1 1 104 104 LYS HG2 H 1 1.77 0.03 . 2 . . . . 104 LYS HG2 . 15543 1 687 . 1 1 104 104 LYS HG3 H 1 1.52 0.03 . 2 . . . . 104 LYS HG3 . 15543 1 688 . 1 1 104 104 LYS CA C 13 55.48 0.30 . 1 . . . . 104 LYS CA . 15543 1 689 . 1 1 104 104 LYS CB C 13 34.52 0.30 . 1 . . . . 104 LYS CB . 15543 1 690 . 1 1 104 104 LYS CD C 13 29.44 0.30 . 1 . . . . 104 LYS CD . 15543 1 691 . 1 1 104 104 LYS CE C 13 41.94 0.30 . 1 . . . . 104 LYS CE . 15543 1 692 . 1 1 104 104 LYS CG C 13 24.90 0.30 . 1 . . . . 104 LYS CG . 15543 1 693 . 1 1 104 104 LYS N N 15 124.08 0.20 . 1 . . . . 104 LYS N . 15543 1 694 . 1 1 105 105 VAL H H 1 9.05 0.03 . 1 . . . . 105 VAL H . 15543 1 695 . 1 1 105 105 VAL HA H 1 5.19 0.03 . 1 . . . . 105 VAL HA . 15543 1 696 . 1 1 105 105 VAL HB H 1 1.94 0.03 . 1 . . . . 105 VAL HB . 15543 1 697 . 1 1 105 105 VAL HG11 H 1 1.15 0.03 . 2 . . . . 105 VAL HG1 . 15543 1 698 . 1 1 105 105 VAL HG12 H 1 1.15 0.03 . 2 . . . . 105 VAL HG1 . 15543 1 699 . 1 1 105 105 VAL HG13 H 1 1.15 0.03 . 2 . . . . 105 VAL HG1 . 15543 1 700 . 1 1 105 105 VAL HG21 H 1 1.10 0.03 . 2 . . . . 105 VAL HG2 . 15543 1 701 . 1 1 105 105 VAL HG22 H 1 1.10 0.03 . 2 . . . . 105 VAL HG2 . 15543 1 702 . 1 1 105 105 VAL HG23 H 1 1.10 0.03 . 2 . . . . 105 VAL HG2 . 15543 1 703 . 1 1 105 105 VAL CA C 13 60.84 0.30 . 1 . . . . 105 VAL CA . 15543 1 704 . 1 1 105 105 VAL CB C 13 35.66 0.30 . 1 . . . . 105 VAL CB . 15543 1 705 . 1 1 105 105 VAL CG1 C 13 24.11 0.30 . 2 . . . . 105 VAL CG1 . 15543 1 706 . 1 1 105 105 VAL CG2 C 13 22.61 0.30 . 2 . . . . 105 VAL CG2 . 15543 1 707 . 1 1 105 105 VAL N N 15 123.92 0.20 . 1 . . . . 105 VAL N . 15543 1 708 . 1 1 106 106 ASN H H 1 9.30 0.03 . 1 . . . . 106 ASN H . 15543 1 709 . 1 1 106 106 ASN HA H 1 5.22 0.03 . 1 . . . . 106 ASN HA . 15543 1 710 . 1 1 106 106 ASN HB2 H 1 2.76 0.03 . 2 . . . . 106 ASN HB2 . 15543 1 711 . 1 1 106 106 ASN HB3 H 1 3.05 0.03 . 2 . . . . 106 ASN HB3 . 15543 1 712 . 1 1 106 106 ASN HD21 H 1 7.58 0.03 . 1 . . . . 106 ASN HD21 . 15543 1 713 . 1 1 106 106 ASN HD22 H 1 7.14 0.03 . 1 . . . . 106 ASN HD22 . 15543 1 714 . 1 1 106 106 ASN CA C 13 51.63 0.30 . 1 . . . . 106 ASN CA . 15543 1 715 . 1 1 106 106 ASN CB C 13 43.84 0.30 . 1 . . . . 106 ASN CB . 15543 1 716 . 1 1 106 106 ASN N N 15 122.78 0.20 . 1 . . . . 106 ASN N . 15543 1 717 . 1 1 106 106 ASN ND2 N 15 112.01 0.20 . 1 . . . . 106 ASN ND2 . 15543 1 718 . 1 1 107 107 ILE H H 1 9.05 0.03 . 1 . . . . 107 ILE H . 15543 1 719 . 1 1 107 107 ILE HA H 1 4.16 0.03 . 1 . . . . 107 ILE HA . 15543 1 720 . 1 1 107 107 ILE HB H 1 2.00 0.03 . 1 . . . . 107 ILE HB . 15543 1 721 . 1 1 107 107 ILE HD11 H 1 0.88 0.03 . 1 . . . . 107 ILE HD1 . 15543 1 722 . 1 1 107 107 ILE HD12 H 1 0.88 0.03 . 1 . . . . 107 ILE HD1 . 15543 1 723 . 1 1 107 107 ILE HD13 H 1 0.88 0.03 . 1 . . . . 107 ILE HD1 . 15543 1 724 . 1 1 107 107 ILE HG12 H 1 1.56 0.03 . 2 . . . . 107 ILE HG12 . 15543 1 725 . 1 1 107 107 ILE HG13 H 1 1.65 0.03 . 2 . . . . 107 ILE HG13 . 15543 1 726 . 1 1 107 107 ILE HG21 H 1 0.92 0.03 . 1 . . . . 107 ILE HG2 . 15543 1 727 . 1 1 107 107 ILE HG22 H 1 0.92 0.03 . 1 . . . . 107 ILE HG2 . 15543 1 728 . 1 1 107 107 ILE HG23 H 1 0.92 0.03 . 1 . . . . 107 ILE HG2 . 15543 1 729 . 1 1 107 107 ILE CA C 13 61.67 0.30 . 1 . . . . 107 ILE CA . 15543 1 730 . 1 1 107 107 ILE CB C 13 36.14 0.30 . 1 . . . . 107 ILE CB . 15543 1 731 . 1 1 107 107 ILE CD1 C 13 10.22 0.30 . 1 . . . . 107 ILE CD1 . 15543 1 732 . 1 1 107 107 ILE CG2 C 13 17.75 0.30 . 1 . . . . 107 ILE CG2 . 15543 1 733 . 1 1 107 107 ILE N N 15 122.98 0.20 . 1 . . . . 107 ILE N . 15543 1 734 . 1 1 108 108 ALA H H 1 8.74 0.03 . 1 . . . . 108 ALA H . 15543 1 735 . 1 1 108 108 ALA HA H 1 4.78 0.03 . 1 . . . . 108 ALA HA . 15543 1 736 . 1 1 108 108 ALA HB1 H 1 1.85 0.03 . 1 . . . . 108 ALA HB . 15543 1 737 . 1 1 108 108 ALA HB2 H 1 1.85 0.03 . 1 . . . . 108 ALA HB . 15543 1 738 . 1 1 108 108 ALA HB3 H 1 1.85 0.03 . 1 . . . . 108 ALA HB . 15543 1 739 . 1 1 108 108 ALA CA C 13 52.62 0.30 . 1 . . . . 108 ALA CA . 15543 1 740 . 1 1 108 108 ALA CB C 13 19.57 0.30 . 1 . . . . 108 ALA CB . 15543 1 741 . 1 1 108 108 ALA N N 15 131.61 0.20 . 1 . . . . 108 ALA N . 15543 1 742 . 1 1 109 109 ARG HA H 1 4.39 0.03 . 1 . . . . 109 ARG HA . 15543 1 743 . 1 1 109 109 ARG HB2 H 1 1.83 0.03 . 2 . . . . 109 ARG HB2 . 15543 1 744 . 1 1 109 109 ARG HB3 H 1 1.92 0.03 . 2 . . . . 109 ARG HB3 . 15543 1 745 . 1 1 109 109 ARG HD3 H 1 3.24 0.03 . 2 . . . . 109 ARG HD3 . 15543 1 746 . 1 1 109 109 ARG CA C 13 56.12 0.30 . 1 . . . . 109 ARG CA . 15543 1 747 . 1 1 109 109 ARG CB C 13 31.01 0.30 . 1 . . . . 109 ARG CB . 15543 1 748 . 1 1 109 109 ARG CD C 13 43.27 0.30 . 1 . . . . 109 ARG CD . 15543 1 749 . 1 1 111 111 GLN HA H 1 4.63 0.03 . 1 . . . . 111 GLN HA . 15543 1 750 . 1 1 111 111 GLN HB2 H 1 1.94 0.03 . 2 . . . . 111 GLN HB2 . 15543 1 751 . 1 1 111 111 GLN HB3 H 1 2.31 0.03 . 2 . . . . 111 GLN HB3 . 15543 1 752 . 1 1 111 111 GLN HG2 H 1 2.45 0.03 . 2 . . . . 111 GLN HG2 . 15543 1 753 . 1 1 111 111 GLN HG3 H 1 2.55 0.03 . 2 . . . . 111 GLN HG3 . 15543 1 754 . 1 1 111 111 GLN CA C 13 55.16 0.30 . 1 . . . . 111 GLN CA . 15543 1 755 . 1 1 111 111 GLN CB C 13 32.90 0.30 . 1 . . . . 111 GLN CB . 15543 1 756 . 1 1 111 111 GLN CG C 13 33.05 0.30 . 1 . . . . 111 GLN CG . 15543 1 757 . 1 1 112 112 PRO HA H 1 4.37 0.03 . 1 . . . . 112 PRO HA . 15543 1 758 . 1 1 112 112 PRO HB3 H 1 1.84 0.03 . 2 . . . . 112 PRO HB3 . 15543 1 759 . 1 1 112 112 PRO HD3 H 1 3.79 0.03 . 2 . . . . 112 PRO HD3 . 15543 1 760 . 1 1 112 112 PRO HG3 H 1 2.12 0.03 . 2 . . . . 112 PRO HG3 . 15543 1 761 . 1 1 112 112 PRO CA C 13 64.09 0.30 . 1 . . . . 112 PRO CA . 15543 1 762 . 1 1 112 112 PRO CB C 13 32.65 0.30 . 1 . . . . 112 PRO CB . 15543 1 763 . 1 1 113 113 MET HE1 H 1 2.09 0.03 . 1 . . . . 113 MET HE . 15543 1 764 . 1 1 113 113 MET HE2 H 1 2.09 0.03 . 1 . . . . 113 MET HE . 15543 1 765 . 1 1 113 113 MET HE3 H 1 2.09 0.03 . 1 . . . . 113 MET HE . 15543 1 766 . 1 1 113 113 MET CE C 13 17.48 0.30 . 1 . . . . 113 MET CE . 15543 1 767 . 1 1 114 114 LEU H H 1 7.71 0.03 . 1 . . . . 114 LEU H . 15543 1 768 . 1 1 114 114 LEU HA H 1 4.44 0.03 . 1 . . . . 114 LEU HA . 15543 1 769 . 1 1 114 114 LEU HB2 H 1 1.77 0.03 . 2 . . . . 114 LEU HB2 . 15543 1 770 . 1 1 114 114 LEU HB3 H 1 1.84 0.03 . 2 . . . . 114 LEU HB3 . 15543 1 771 . 1 1 114 114 LEU HD11 H 1 1.08 0.03 . 2 . . . . 114 LEU HD1 . 15543 1 772 . 1 1 114 114 LEU HD12 H 1 1.08 0.03 . 2 . . . . 114 LEU HD1 . 15543 1 773 . 1 1 114 114 LEU HD13 H 1 1.08 0.03 . 2 . . . . 114 LEU HD1 . 15543 1 774 . 1 1 114 114 LEU HD21 H 1 1.00 0.03 . 2 . . . . 114 LEU HD2 . 15543 1 775 . 1 1 114 114 LEU HD22 H 1 1.00 0.03 . 2 . . . . 114 LEU HD2 . 15543 1 776 . 1 1 114 114 LEU HD23 H 1 1.00 0.03 . 2 . . . . 114 LEU HD2 . 15543 1 777 . 1 1 114 114 LEU CB C 13 42.64 0.30 . 1 . . . . 114 LEU CB . 15543 1 778 . 1 1 114 114 LEU CD1 C 13 24.87 0.30 . 2 . . . . 114 LEU CD1 . 15543 1 779 . 1 1 114 114 LEU CD2 C 13 24.98 0.30 . 2 . . . . 114 LEU CD2 . 15543 1 780 . 1 1 114 114 LEU N N 15 123.05 0.20 . 1 . . . . 114 LEU N . 15543 1 781 . 1 1 115 115 ASP H H 1 8.44 0.03 . 1 . . . . 115 ASP H . 15543 1 782 . 1 1 115 115 ASP HA H 1 4.61 0.03 . 1 . . . . 115 ASP HA . 15543 1 783 . 1 1 115 115 ASP HB2 H 1 2.67 0.03 . 2 . . . . 115 ASP HB2 . 15543 1 784 . 1 1 115 115 ASP HB3 H 1 2.77 0.03 . 2 . . . . 115 ASP HB3 . 15543 1 785 . 1 1 115 115 ASP CA C 13 54.62 0.30 . 1 . . . . 115 ASP CA . 15543 1 786 . 1 1 115 115 ASP CB C 13 40.72 0.30 . 1 . . . . 115 ASP CB . 15543 1 787 . 1 1 115 115 ASP N N 15 119.52 0.20 . 1 . . . . 115 ASP N . 15543 1 788 . 1 1 116 116 ALA H H 1 8.06 0.03 . 1 . . . . 116 ALA H . 15543 1 789 . 1 1 116 116 ALA HA H 1 4.32 0.03 . 1 . . . . 116 ALA HA . 15543 1 790 . 1 1 116 116 ALA HB1 H 1 1.49 0.03 . 1 . . . . 116 ALA HB . 15543 1 791 . 1 1 116 116 ALA HB2 H 1 1.49 0.03 . 1 . . . . 116 ALA HB . 15543 1 792 . 1 1 116 116 ALA HB3 H 1 1.49 0.03 . 1 . . . . 116 ALA HB . 15543 1 793 . 1 1 116 116 ALA CA C 13 53.08 0.30 . 1 . . . . 116 ALA CA . 15543 1 794 . 1 1 116 116 ALA CB C 13 19.00 0.30 . 1 . . . . 116 ALA CB . 15543 1 795 . 1 1 116 116 ALA N N 15 123.46 0.20 . 1 . . . . 116 ALA N . 15543 1 796 . 1 1 117 117 ALA H H 1 8.11 0.03 . 1 . . . . 117 ALA H . 15543 1 797 . 1 1 117 117 ALA HA H 1 4.64 0.03 . 1 . . . . 117 ALA HA . 15543 1 798 . 1 1 117 117 ALA HB1 H 1 1.55 0.03 . 1 . . . . 117 ALA HB . 15543 1 799 . 1 1 117 117 ALA HB2 H 1 1.55 0.03 . 1 . . . . 117 ALA HB . 15543 1 800 . 1 1 117 117 ALA HB3 H 1 1.55 0.03 . 1 . . . . 117 ALA HB . 15543 1 801 . 1 1 117 117 ALA CA C 13 52.60 0.30 . 1 . . . . 117 ALA CA . 15543 1 802 . 1 1 117 117 ALA CB C 13 19.36 0.30 . 1 . . . . 117 ALA CB . 15543 1 803 . 1 1 117 117 ALA N N 15 121.13 0.20 . 1 . . . . 117 ALA N . 15543 1 804 . 1 1 118 118 THR H H 1 8.06 0.03 . 1 . . . . 118 THR H . 15543 1 805 . 1 1 118 118 THR HA H 1 4.43 0.03 . 1 . . . . 118 THR HA . 15543 1 806 . 1 1 118 118 THR HB H 1 4.37 0.03 . 1 . . . . 118 THR HB . 15543 1 807 . 1 1 118 118 THR HG21 H 1 1.33 0.03 . 1 . . . . 118 THR HG2 . 15543 1 808 . 1 1 118 118 THR HG22 H 1 1.33 0.03 . 1 . . . . 118 THR HG2 . 15543 1 809 . 1 1 118 118 THR HG23 H 1 1.33 0.03 . 1 . . . . 118 THR HG2 . 15543 1 810 . 1 1 118 118 THR CA C 13 62.13 0.30 . 1 . . . . 118 THR CA . 15543 1 811 . 1 1 118 118 THR CB C 13 69.84 0.30 . 1 . . . . 118 THR CB . 15543 1 812 . 1 1 118 118 THR CG2 C 13 21.62 0.30 . 1 . . . . 118 THR CG2 . 15543 1 813 . 1 1 118 118 THR N N 15 112.10 0.20 . 1 . . . . 118 THR N . 15543 1 814 . 1 1 119 119 GLY H H 1 8.43 0.03 . 1 . . . . 119 GLY H . 15543 1 815 . 1 1 119 119 GLY N N 15 111.23 0.20 . 1 . . . . 119 GLY N . 15543 1 816 . 1 1 120 120 LYS H H 1 8.20 0.03 . 1 . . . . 120 LYS H . 15543 1 817 . 1 1 120 120 LYS HA H 1 4.51 0.03 . 1 . . . . 120 LYS HA . 15543 1 818 . 1 1 120 120 LYS HB2 H 1 1.84 0.03 . 2 . . . . 120 LYS HB2 . 15543 1 819 . 1 1 120 120 LYS HB3 H 1 1.98 0.03 . 2 . . . . 120 LYS HB3 . 15543 1 820 . 1 1 120 120 LYS HG3 H 1 1.53 0.03 . 2 . . . . 120 LYS HG3 . 15543 1 821 . 1 1 120 120 LYS CA C 13 56.11 0.30 . 1 . . . . 120 LYS CA . 15543 1 822 . 1 1 120 120 LYS CB C 13 33.27 0.30 . 1 . . . . 120 LYS CB . 15543 1 823 . 1 1 120 120 LYS N N 15 121.18 0.20 . 1 . . . . 120 LYS N . 15543 1 824 . 1 1 121 121 SER H H 1 8.09 0.03 . 1 . . . . 121 SER H . 15543 1 825 . 1 1 121 121 SER N N 15 123.03 0.20 . 1 . . . . 121 SER N . 15543 1 stop_ save_