data_7287 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7287 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structure and function of BRD7 bromodomain' 'Structure analysis' 'The data from the chemical shifts were used to determine the structure of BRD7 bromodomain.' 7287 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 7287 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7287 _Entry.Title ; Backbone and side chain 1H, 13C and 15N Chemical Shift Assignments for human BRD7 bromodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-09-02 _Entry.Accession_date 2006-09-05 _Entry.Last_release_date . _Entry.Original_release_date . _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 Hongbin Sun . . . 7287 2 Jiangxin Liu . . . 7287 3 Jiahai Zhang . . . 7287 4 Hongda Huang . . . 7287 5 Chao Xu . . . 7287 6 Haiming Dai . . . 7287 7 Jihui Wu . . . 7287 8 Yunyu Shi . . . 7287 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7287 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 440 7287 '15N chemical shifts' 116 7287 '1H chemical shifts' 786 7287 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-17 2006-09-02 update BMRB 'complete entry citation' 7287 1 . . 2007-01-10 2006-09-02 original author 'original release' 7287 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I7K 'BMRB Entry Tracking System' 7287 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7287 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17498659 _Citation.Full_citation . _Citation.Title ; Solution structure of BRD7 bromodomain and its interaction with acetylated peptides from histone H3 and H4. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 358 _Citation.Journal_issue 2 _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 435 _Citation.Page_last 441 _Citation.Year 2007 _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 Hongbin Sun . . . 7287 1 2 Jiangxin Liu . . . 7287 1 3 Jiahai Zhang . . . 7287 1 4 Weiqun Shen . . . 7287 1 5 Hongda Huang . . . 7287 1 6 Chao Xu . . . 7287 1 7 Haiming Dai . . . 7287 1 8 Jihui Wu . . . 7287 1 9 Yunyu Shi . . . 7287 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR Structure' 7287 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7287 _Assembly.ID 1 _Assembly.Name 'BRD7 Bromodomain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'all free' _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 bromodomain 1 $bromodomain . . no native no no . . . 7287 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bromodomain _Entity.Sf_category entity _Entity.Sf_framecode bromodomain _Entity.Entry_ID 7287 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bromodomain _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 ; MEEVEQTPLQEALNQLMRQL QRKDPSAFFSFPVTDFIAPG YSMIIKHPMDFSTMKEKIKN NDYQSIEELKDNFKLMCTNA MIYNKPETIYYKAAKKLLHS GMKILSQERLEHHHHHH ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2I7K . "Solution Structure Of The Bromodomain Of Human Brd7 Protein" . . . . . 100.00 117 100.00 100.00 1.84e-80 . . . . 7287 1 2 no DBJ BAE23823 . "unnamed protein product [Mus musculus]" . . . . . 81.20 150 97.89 100.00 1.49e-62 . . . . 7287 1 3 no DBJ BAI45636 . "bromodomain containing 7 [synthetic construct]" . . . . . 94.02 652 98.18 100.00 1.58e-68 . . . . 7287 1 4 no EMBL CAB72445 . "bromodomain containing protein [Homo sapiens]" . . . . . 94.02 651 98.18 100.00 1.48e-68 . . . . 7287 1 5 no EMBL CAH92000 . "hypothetical protein [Pongo abelii]" . . . . . 94.02 651 98.18 100.00 1.30e-68 . . . . 7287 1 6 no GB AAC33302 . "bromodomain-containing protein BP75 [Mus musculus]" . . . . . 94.02 651 98.18 100.00 5.53e-69 . . . . 7287 1 7 no GB AAF19526 . "bromodomain protein CELTIX1 [Homo sapiens]" . . . . . 94.02 652 98.18 100.00 1.37e-68 . . . . 7287 1 8 no GB AAF75126 . "bromodomain-containing protein [Homo sapiens]" . . . . . 94.02 651 98.18 100.00 1.48e-68 . . . . 7287 1 9 no GB AAH50728 . "Bromodomain containing 7 [Homo sapiens]" . . . . . 94.02 651 98.18 100.00 1.48e-68 . . . . 7287 1 10 no GB AAH94706 . "Bromodomain containing 7 [Homo sapiens]" . . . . . 94.02 651 97.27 100.00 6.24e-68 . . . . 7287 1 11 no REF NP_001096730 . "bromodomain-containing protein 7 [Bos taurus]" . . . . . 94.02 651 98.18 100.00 1.15e-68 . . . . 7287 1 12 no REF NP_001167455 . "bromodomain-containing protein 7 isoform 1 [Homo sapiens]" . . . . . 94.02 652 98.18 100.00 1.58e-68 . . . . 7287 1 13 no REF NP_036177 . "bromodomain-containing protein 7 [Mus musculus]" . . . . . 94.02 651 98.18 100.00 5.53e-69 . . . . 7287 1 14 no REF NP_037395 . "bromodomain-containing protein 7 isoform 2 [Homo sapiens]" . . . . . 94.02 651 98.18 100.00 1.48e-68 . . . . 7287 1 15 no REF XP_001083389 . "PREDICTED: bromodomain-containing protein 7 isoform 1 [Macaca mulatta]" . . . . . 94.02 652 98.18 100.00 1.55e-68 . . . . 7287 1 16 no SP O88665 . "RecName: Full=Bromodomain-containing protein 7; AltName: Full=75 kDa bromodomain protein [Mus musculus]" . . . . . 94.02 651 98.18 100.00 5.53e-69 . . . . 7287 1 17 no SP Q5R8B0 . "RecName: Full=Bromodomain-containing protein 7 [Pongo abelii]" . . . . . 94.02 651 98.18 100.00 1.30e-68 . . . . 7287 1 18 no SP Q9NPI1 . "RecName: Full=Bromodomain-containing protein 7; AltName: Full=75 kDa bromodomain protein; AltName: Full=Protein CELTIX-1 [Homo " . . . . . 94.02 651 98.18 100.00 1.48e-68 . . . . 7287 1 19 no TPG DAA20095 . "TPA: bromodomain containing 7 [Bos taurus]" . . . . . 94.02 651 98.18 100.00 1.15e-68 . . . . 7287 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription regulator' 7287 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 0 MET . 7287 1 2 1 GLU . 7287 1 3 2 GLU . 7287 1 4 3 VAL . 7287 1 5 4 GLU . 7287 1 6 5 GLN . 7287 1 7 6 THR . 7287 1 8 7 PRO . 7287 1 9 8 LEU . 7287 1 10 9 GLN . 7287 1 11 10 GLU . 7287 1 12 11 ALA . 7287 1 13 12 LEU . 7287 1 14 13 ASN . 7287 1 15 14 GLN . 7287 1 16 15 LEU . 7287 1 17 16 MET . 7287 1 18 17 ARG . 7287 1 19 18 GLN . 7287 1 20 19 LEU . 7287 1 21 20 GLN . 7287 1 22 21 ARG . 7287 1 23 22 LYS . 7287 1 24 23 ASP . 7287 1 25 24 PRO . 7287 1 26 25 SER . 7287 1 27 26 ALA . 7287 1 28 27 PHE . 7287 1 29 28 PHE . 7287 1 30 29 SER . 7287 1 31 30 PHE . 7287 1 32 31 PRO . 7287 1 33 32 VAL . 7287 1 34 33 THR . 7287 1 35 34 ASP . 7287 1 36 35 PHE . 7287 1 37 36 ILE . 7287 1 38 37 ALA . 7287 1 39 38 PRO . 7287 1 40 39 GLY . 7287 1 41 40 TYR . 7287 1 42 41 SER . 7287 1 43 42 MET . 7287 1 44 43 ILE . 7287 1 45 44 ILE . 7287 1 46 45 LYS . 7287 1 47 46 HIS . 7287 1 48 47 PRO . 7287 1 49 48 MET . 7287 1 50 49 ASP . 7287 1 51 50 PHE . 7287 1 52 51 SER . 7287 1 53 52 THR . 7287 1 54 53 MET . 7287 1 55 54 LYS . 7287 1 56 55 GLU . 7287 1 57 56 LYS . 7287 1 58 57 ILE . 7287 1 59 58 LYS . 7287 1 60 59 ASN . 7287 1 61 60 ASN . 7287 1 62 61 ASP . 7287 1 63 62 TYR . 7287 1 64 63 GLN . 7287 1 65 64 SER . 7287 1 66 65 ILE . 7287 1 67 66 GLU . 7287 1 68 67 GLU . 7287 1 69 68 LEU . 7287 1 70 69 LYS . 7287 1 71 70 ASP . 7287 1 72 71 ASN . 7287 1 73 72 PHE . 7287 1 74 73 LYS . 7287 1 75 74 LEU . 7287 1 76 75 MET . 7287 1 77 76 CYS . 7287 1 78 77 THR . 7287 1 79 78 ASN . 7287 1 80 79 ALA . 7287 1 81 80 MET . 7287 1 82 81 ILE . 7287 1 83 82 TYR . 7287 1 84 83 ASN . 7287 1 85 84 LYS . 7287 1 86 85 PRO . 7287 1 87 86 GLU . 7287 1 88 87 THR . 7287 1 89 88 ILE . 7287 1 90 89 TYR . 7287 1 91 90 TYR . 7287 1 92 91 LYS . 7287 1 93 92 ALA . 7287 1 94 93 ALA . 7287 1 95 94 LYS . 7287 1 96 95 LYS . 7287 1 97 96 LEU . 7287 1 98 97 LEU . 7287 1 99 98 HIS . 7287 1 100 99 SER . 7287 1 101 100 GLY . 7287 1 102 101 MET . 7287 1 103 102 LYS . 7287 1 104 103 ILE . 7287 1 105 104 LEU . 7287 1 106 105 SER . 7287 1 107 106 GLN . 7287 1 108 107 GLU . 7287 1 109 108 ARG . 7287 1 110 109 LEU . 7287 1 111 110 GLU . 7287 1 112 111 HIS . 7287 1 113 112 HIS . 7287 1 114 113 HIS . 7287 1 115 114 HIS . 7287 1 116 115 HIS . 7287 1 117 116 HIS . 7287 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 7287 1 . GLU 2 2 7287 1 . GLU 3 3 7287 1 . VAL 4 4 7287 1 . GLU 5 5 7287 1 . GLN 6 6 7287 1 . THR 7 7 7287 1 . PRO 8 8 7287 1 . LEU 9 9 7287 1 . GLN 10 10 7287 1 . GLU 11 11 7287 1 . ALA 12 12 7287 1 . LEU 13 13 7287 1 . ASN 14 14 7287 1 . GLN 15 15 7287 1 . LEU 16 16 7287 1 . MET 17 17 7287 1 . ARG 18 18 7287 1 . GLN 19 19 7287 1 . LEU 20 20 7287 1 . GLN 21 21 7287 1 . ARG 22 22 7287 1 . LYS 23 23 7287 1 . ASP 24 24 7287 1 . PRO 25 25 7287 1 . SER 26 26 7287 1 . ALA 27 27 7287 1 . PHE 28 28 7287 1 . PHE 29 29 7287 1 . SER 30 30 7287 1 . PHE 31 31 7287 1 . PRO 32 32 7287 1 . VAL 33 33 7287 1 . THR 34 34 7287 1 . ASP 35 35 7287 1 . PHE 36 36 7287 1 . ILE 37 37 7287 1 . ALA 38 38 7287 1 . PRO 39 39 7287 1 . GLY 40 40 7287 1 . TYR 41 41 7287 1 . SER 42 42 7287 1 . MET 43 43 7287 1 . ILE 44 44 7287 1 . ILE 45 45 7287 1 . LYS 46 46 7287 1 . HIS 47 47 7287 1 . PRO 48 48 7287 1 . MET 49 49 7287 1 . ASP 50 50 7287 1 . PHE 51 51 7287 1 . SER 52 52 7287 1 . THR 53 53 7287 1 . MET 54 54 7287 1 . LYS 55 55 7287 1 . GLU 56 56 7287 1 . LYS 57 57 7287 1 . ILE 58 58 7287 1 . LYS 59 59 7287 1 . ASN 60 60 7287 1 . ASN 61 61 7287 1 . ASP 62 62 7287 1 . TYR 63 63 7287 1 . GLN 64 64 7287 1 . SER 65 65 7287 1 . ILE 66 66 7287 1 . GLU 67 67 7287 1 . GLU 68 68 7287 1 . LEU 69 69 7287 1 . LYS 70 70 7287 1 . ASP 71 71 7287 1 . ASN 72 72 7287 1 . PHE 73 73 7287 1 . LYS 74 74 7287 1 . LEU 75 75 7287 1 . MET 76 76 7287 1 . CYS 77 77 7287 1 . THR 78 78 7287 1 . ASN 79 79 7287 1 . ALA 80 80 7287 1 . MET 81 81 7287 1 . ILE 82 82 7287 1 . TYR 83 83 7287 1 . ASN 84 84 7287 1 . LYS 85 85 7287 1 . PRO 86 86 7287 1 . GLU 87 87 7287 1 . THR 88 88 7287 1 . ILE 89 89 7287 1 . TYR 90 90 7287 1 . TYR 91 91 7287 1 . LYS 92 92 7287 1 . ALA 93 93 7287 1 . ALA 94 94 7287 1 . LYS 95 95 7287 1 . LYS 96 96 7287 1 . LEU 97 97 7287 1 . LEU 98 98 7287 1 . HIS 99 99 7287 1 . SER 100 100 7287 1 . GLY 101 101 7287 1 . MET 102 102 7287 1 . LYS 103 103 7287 1 . ILE 104 104 7287 1 . LEU 105 105 7287 1 . SER 106 106 7287 1 . GLN 107 107 7287 1 . GLU 108 108 7287 1 . ARG 109 109 7287 1 . LEU 110 110 7287 1 . GLU 111 111 7287 1 . HIS 112 112 7287 1 . HIS 113 113 7287 1 . HIS 114 114 7287 1 . HIS 115 115 7287 1 . HIS 116 116 7287 1 . HIS 117 117 7287 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7287 _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 $bromodomain . 9606 organism no 'Homo Sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7287 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 7287 _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 $bromodomain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7287 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7287 _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 bromodomain '[U-13C; U-15N]' . . 1 $bromodomain . . 0.6 0.2 0.6 mM . . . . 7287 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 7287 1 3 NaCl . . . . . . . 50 . . mM . . . . 7287 1 4 DTT . . . . . . . 1 . . mM . . . . 7287 1 5 EDTA . . . . . . . 5 . . mM . . . . 7287 1 6 H2O . . . . . . . 90 . . % . . . . 7287 1 7 D2O . . . . . . . 10 . . % . . . . 7287 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 7287 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; BRD7 bromodomain U_15N 0.6mM. 50mM phosphate buffer (pH 6.1), 50mM NaCl, 1mM DTT, and 5mM EDTA in 90% H2O / 10% D2O. ; 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 6.1 . pH 7287 1 temperature 293 0.2 K 7287 1 stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Software.Sf_category software _Software.Sf_framecode XWIN-NMR _Software.Entry_ID 7287 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version 3.5 _Software.Details 'The software was used to collect data.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7287 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600M 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 7287 _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 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 2 '15N TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 3 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 4 CBCANH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 5 C(CO)NH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 6 H(CCO)NH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 7 HBHA(CBCACO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 8 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 9 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 10 '3D15N-separted NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 11 '3D3C-separted NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 1 13 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7287 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 7287 _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 $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_TOCSY _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _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 $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCANH _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCANH _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 $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_C(CO)NH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C(CO)NH-TOCSY _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name C(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_H(CCO)NH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode H(CCO)NH-TOCSY _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CCO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHA(CBCACO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHA(CBCACO)NH _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHA(CBCACO)NH _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 $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CA)CO _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HN(CA)CO _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 $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D15N-separted_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D15N-separted_NOESY _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D15N-separted NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D3C-separted_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D3C-separted_NOESY _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D3C-separted NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH-TOCSY _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH-COSY _NMR_spec_expt.Entry_ID 7287 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7287 _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 H2O protons . . . . ppm . . . 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7287 1 H 1 H2O protons . . . . ppm 4.81 internal indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7287 1 N 15 H2O protons . . . . ppm . . . 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7287 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7287 _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 $chemical_shift_referencing _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 '1H15N HSQC' 1 $sample_1 isotropic 7287 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.085 0.01 . 1 . . . . 0 M HA . 7287 1 2 . 1 1 1 1 MET HB2 H 1 2.124 0.01 . 1 . . . . 0 M HB2 . 7287 1 3 . 1 1 1 1 MET HB3 H 1 2.124 0.01 . 1 . . . . 0 M HB3 . 7287 1 4 . 1 1 1 1 MET C C 13 172.502 0.1 . 1 . . . . 0 M CO . 7287 1 5 . 1 1 1 1 MET CA C 13 55.232 0.1 . 1 . . . . 0 M CA . 7287 1 6 . 1 1 1 1 MET CB C 13 32.882 0.1 . 1 . . . . 0 M CB . 7287 1 7 . 1 1 2 2 GLU H H 1 8.81 0.01 . 1 . . . . 1 E HN . 7287 1 8 . 1 1 2 2 GLU HA H 1 4.57 0.01 . 1 . . . . 1 E HA . 7287 1 9 . 1 1 2 2 GLU HB2 H 1 3.094 0.01 . 1 . . . . 1 E HB2 . 7287 1 10 . 1 1 2 2 GLU HB3 H 1 3.094 0.01 . 1 . . . . 1 E HB3 . 7287 1 11 . 1 1 2 2 GLU C C 13 173.85 0.1 . 1 . . . . 1 E CO . 7287 1 12 . 1 1 2 2 GLU CA C 13 55.882 0.1 . 1 . . . . 1 E CA . 7287 1 13 . 1 1 2 2 GLU CB C 13 30.024 0.1 . 1 . . . . 1 E CB . 7287 1 14 . 1 1 2 2 GLU N N 15 123.664 0.1 . 1 . . . . 1 E N . 7287 1 15 . 1 1 3 3 GLU H H 1 8.264 0.01 . 1 . . . . 2 E HN . 7287 1 16 . 1 1 3 3 GLU HA H 1 4.266 0.01 . 1 . . . . 2 E HA . 7287 1 17 . 1 1 3 3 GLU HB2 H 1 1.976 0.01 . 1 . . . . 2 E HB2 . 7287 1 18 . 1 1 3 3 GLU HB3 H 1 1.897 0.01 . 1 . . . . 2 E HB3 . 7287 1 19 . 1 1 3 3 GLU CA C 13 56.766 0.1 . 1 . . . . 2 E CA . 7287 1 20 . 1 1 3 3 GLU CB C 13 30.284 0.1 . 1 . . . . 2 E CB . 7287 1 21 . 1 1 3 3 GLU N N 15 125.406 0.1 . 1 . . . . 2 E N . 7287 1 22 . 1 1 4 4 VAL H H 1 8.256 0.01 . 1 . . . . 3 V HN . 7287 1 23 . 1 1 4 4 VAL HA H 1 4.104 0.01 . 1 . . . . 3 V HA . 7287 1 24 . 1 1 4 4 VAL HB H 1 2.031 0.01 . 1 . . . . 3 V HB . 7287 1 25 . 1 1 4 4 VAL HG11 H 1 0.913 0.01 . 1 . . . . 3 V HG1# . 7287 1 26 . 1 1 4 4 VAL HG12 H 1 0.913 0.01 . 1 . . . . 3 V HG1# . 7287 1 27 . 1 1 4 4 VAL HG13 H 1 0.913 0.01 . 1 . . . . 3 V HG1# . 7287 1 28 . 1 1 4 4 VAL HG21 H 1 0.908 0.01 . 1 . . . . 3 V HG2# . 7287 1 29 . 1 1 4 4 VAL HG22 H 1 0.908 0.01 . 1 . . . . 3 V HG2# . 7287 1 30 . 1 1 4 4 VAL HG23 H 1 0.908 0.01 . 1 . . . . 3 V HG2# . 7287 1 31 . 1 1 4 4 VAL C C 13 177.112 0.1 . 1 . . . . 3 V CO . 7287 1 32 . 1 1 4 4 VAL CA C 13 61.973 0.1 . 1 . . . . 3 V CA . 7287 1 33 . 1 1 4 4 VAL CB C 13 32.932 0.1 . 1 . . . . 3 V CB . 7287 1 34 . 1 1 4 4 VAL CG1 C 13 21.018 0.1 . 1 . . . . 3 V CG1 . 7287 1 35 . 1 1 4 4 VAL CG2 C 13 20.672 0.1 . 1 . . . . 3 V CG2 . 7287 1 36 . 1 1 4 4 VAL N N 15 121.281 0.1 . 1 . . . . 3 V N . 7287 1 37 . 1 1 5 5 GLU H H 1 8.545 0.01 . 1 . . . . 4 E HN . 7287 1 38 . 1 1 5 5 GLU HA H 1 4.25 0.01 . 1 . . . . 4 E HA . 7287 1 39 . 1 1 5 5 GLU HB2 H 1 1.956 0.01 . 1 . . . . 4 E HB2 . 7287 1 40 . 1 1 5 5 GLU HB3 H 1 1.956 0.01 . 1 . . . . 4 E HB3 . 7287 1 41 . 1 1 5 5 GLU C C 13 176.303 0.1 . 1 . . . . 4 E CO . 7287 1 42 . 1 1 5 5 GLU CA C 13 56.495 0.1 . 1 . . . . 4 E CA . 7287 1 43 . 1 1 5 5 GLU CB C 13 30.309 0.1 . 1 . . . . 4 E CB . 7287 1 44 . 1 1 5 5 GLU N N 15 125.373 0.1 . 1 . . . . 4 E N . 7287 1 45 . 1 1 6 6 GLN H H 1 8.513 0.01 . 1 . . . . 5 Q HN . 7287 1 46 . 1 1 6 6 GLN HA H 1 4.535 0.01 . 1 . . . . 5 Q HA . 7287 1 47 . 1 1 6 6 GLN HB2 H 1 2.025 0.01 . 1 . . . . 5 Q HB2 . 7287 1 48 . 1 1 6 6 GLN HB3 H 1 1.919 0.01 . 1 . . . . 5 Q HB3 . 7287 1 49 . 1 1 6 6 GLN HG2 H 1 2.236 0.01 . 1 . . . . 5 Q HG2 . 7287 1 50 . 1 1 6 6 GLN HG3 H 1 2.315 0.01 . 1 . . . . 5 Q HG3 . 7287 1 51 . 1 1 6 6 GLN HE21 H 1 7.504 0.01 . 1 . . . . 5 Q HE21 . 7287 1 52 . 1 1 6 6 GLN HE22 H 1 6.758 0.01 . 1 . . . . 5 Q HE22 . 7287 1 53 . 1 1 6 6 GLN C C 13 176.335 0.1 . 1 . . . . 5 Q CO . 7287 1 54 . 1 1 6 6 GLN CA C 13 55.477 0.1 . 1 . . . . 5 Q CA . 7287 1 55 . 1 1 6 6 GLN CB C 13 30.673 0.1 . 1 . . . . 5 Q CB . 7287 1 56 . 1 1 6 6 GLN CG C 13 34.247 0.1 . 1 . . . . 5 Q CG . 7287 1 57 . 1 1 6 6 GLN N N 15 122.403 0.1 . 1 . . . . 5 Q N . 7287 1 58 . 1 1 6 6 GLN NE2 N 15 110.916 0.1 . 1 . . . . 5 Q NE2 . 7287 1 59 . 1 1 7 7 THR H H 1 8.887 0.01 . 1 . . . . 6 T HN . 7287 1 60 . 1 1 7 7 THR HA H 1 4.63 0.01 . 1 . . . . 6 T HA . 7287 1 61 . 1 1 7 7 THR HB H 1 4.655 0.01 . 1 . . . . 6 T HB . 7287 1 62 . 1 1 7 7 THR HG21 H 1 1.361 0.01 . 1 . . . . 6 T HG2# . 7287 1 63 . 1 1 7 7 THR HG22 H 1 1.361 0.01 . 1 . . . . 6 T HG2# . 7287 1 64 . 1 1 7 7 THR HG23 H 1 1.361 0.01 . 1 . . . . 6 T HG2# . 7287 1 65 . 1 1 7 7 THR CA C 13 60.394 0.1 . 1 . . . . 6 T CA . 7287 1 66 . 1 1 7 7 THR CB C 13 68.703 0.1 . 1 . . . . 6 T CB . 7287 1 67 . 1 1 7 7 THR CG2 C 13 21.6 0.1 . 1 . . . . 6 T CG2 . 7287 1 68 . 1 1 7 7 THR N N 15 115.824 0.1 . 1 . . . . 6 T N . 7287 1 69 . 1 1 8 8 PRO HA H 1 4.327 0.01 . 1 . . . . 7 P HA . 7287 1 70 . 1 1 8 8 PRO HB2 H 1 2.368 0.01 . 1 . . . . 7 P HB2 . 7287 1 71 . 1 1 8 8 PRO HB3 H 1 1.898 0.01 . 1 . . . . 7 P HB3 . 7287 1 72 . 1 1 8 8 PRO HD2 H 1 3.899 0.01 . 1 . . . . 7 P HD2 . 7287 1 73 . 1 1 8 8 PRO HD3 H 1 3.812 0.01 . 1 . . . . 7 P HD3 . 7287 1 74 . 1 1 8 8 PRO C C 13 179.436 0.1 . 1 . . . . 7 P CO . 7287 1 75 . 1 1 8 8 PRO CA C 13 65.39 0.1 . 1 . . . . 7 P CA . 7287 1 76 . 1 1 8 8 PRO CB C 13 31.694 0.1 . 1 . . . . 7 P CB . 7287 1 77 . 1 1 9 9 LEU H H 1 8.093 0.01 . 1 . . . . 8 L HN . 7287 1 78 . 1 1 9 9 LEU HA H 1 4.176 0.01 . 1 . . . . 8 L HA . 7287 1 79 . 1 1 9 9 LEU HB2 H 1 1.74 0.01 . 1 . . . . 8 L HB2 . 7287 1 80 . 1 1 9 9 LEU HB3 H 1 1.52 0.01 . 1 . . . . 8 L HB3 . 7287 1 81 . 1 1 9 9 LEU HG H 1 1.413 0.01 . 1 . . . . 8 L HG . 7287 1 82 . 1 1 9 9 LEU HD11 H 1 0.77 0.01 . 1 . . . . 8 L HD1# . 7287 1 83 . 1 1 9 9 LEU HD12 H 1 0.77 0.01 . 1 . . . . 8 L HD1# . 7287 1 84 . 1 1 9 9 LEU HD13 H 1 0.77 0.01 . 1 . . . . 8 L HD1# . 7287 1 85 . 1 1 9 9 LEU HD21 H 1 0.736 0.01 . 1 . . . . 8 L HD2# . 7287 1 86 . 1 1 9 9 LEU HD22 H 1 0.736 0.01 . 1 . . . . 8 L HD2# . 7287 1 87 . 1 1 9 9 LEU HD23 H 1 0.736 0.01 . 1 . . . . 8 L HD2# . 7287 1 88 . 1 1 9 9 LEU C C 13 178.092 0.1 . 1 . . . . 8 L CO . 7287 1 89 . 1 1 9 9 LEU CA C 13 58.075 0.1 . 1 . . . . 8 L CA . 7287 1 90 . 1 1 9 9 LEU CB C 13 40.971 0.1 . 1 . . . . 8 L CB . 7287 1 91 . 1 1 9 9 LEU CD1 C 13 22.96 0.1 . 1 . . . . 8 L CD1 . 7287 1 92 . 1 1 9 9 LEU CD2 C 13 25.841 0.1 . 1 . . . . 8 L CD2 . 7287 1 93 . 1 1 9 9 LEU N N 15 119.76 0.1 . 1 . . . . 8 L N . 7287 1 94 . 1 1 10 10 GLN H H 1 7.985 0.01 . 1 . . . . 9 Q HN . 7287 1 95 . 1 1 10 10 GLN HA H 1 3.749 0.01 . 1 . . . . 9 Q HA . 7287 1 96 . 1 1 10 10 GLN HB2 H 1 2.343 0.01 . 1 . . . . 9 Q HB2 . 7287 1 97 . 1 1 10 10 GLN HB3 H 1 2.343 0.01 . 1 . . . . 9 Q HB3 . 7287 1 98 . 1 1 10 10 GLN HG2 H 1 2.481 0.01 . 1 . . . . 9 Q HG2 . 7287 1 99 . 1 1 10 10 GLN HG3 H 1 2.481 0.01 . 1 . . . . 9 Q HG3 . 7287 1 100 . 1 1 10 10 GLN HE21 H 1 6.805 0.01 . 1 . . . . 9 Q HE21 . 7287 1 101 . 1 1 10 10 GLN HE22 H 1 7.771 0.01 . 1 . . . . 9 Q HE22 . 7287 1 102 . 1 1 10 10 GLN C C 13 178.274 0.1 . 1 . . . . 9 Q CO . 7287 1 103 . 1 1 10 10 GLN CA C 13 60.385 0.1 . 1 . . . . 9 Q CA . 7287 1 104 . 1 1 10 10 GLN CB C 13 29.556 0.1 . 1 . . . . 9 Q CB . 7287 1 105 . 1 1 10 10 GLN CG C 13 35.622 0.1 . 1 . . . . 9 Q CG . 7287 1 106 . 1 1 10 10 GLN N N 15 118.177 0.1 . 1 . . . . 9 Q N . 7287 1 107 . 1 1 10 10 GLN NE2 N 15 112.34 0.1 . 1 . . . . 9 Q NE2 . 7287 1 108 . 1 1 11 11 GLU H H 1 8.204 0.01 . 1 . . . . 10 E HN . 7287 1 109 . 1 1 11 11 GLU HA H 1 4.079 0.01 . 1 . . . . 10 E HA . 7287 1 110 . 1 1 11 11 GLU HB2 H 1 2.02 0.01 . 1 . . . . 10 E HB2 . 7287 1 111 . 1 1 11 11 GLU HB3 H 1 2.02 0.01 . 1 . . . . 10 E HB3 . 7287 1 112 . 1 1 11 11 GLU HG2 H 1 2.296 0.01 . 1 . . . . 10 E HG2 . 7287 1 113 . 1 1 11 11 GLU HG3 H 1 2.142 0.01 . 1 . . . . 10 E HG3 . 7287 1 114 . 1 1 11 11 GLU C C 13 179.176 0.1 . 1 . . . . 10 E CO . 7287 1 115 . 1 1 11 11 GLU CA C 13 59.691 0.1 . 1 . . . . 10 E CA . 7287 1 116 . 1 1 11 11 GLU CB C 13 29.442 0.1 . 1 . . . . 10 E CB . 7287 1 117 . 1 1 11 11 GLU CG C 13 35.887 0.1 . 1 . . . . 10 E CG . 7287 1 118 . 1 1 11 11 GLU N N 15 117.798 0.1 . 1 . . . . 10 E N . 7287 1 119 . 1 1 12 12 ALA H H 1 7.98 0.01 . 1 . . . . 11 A HN . 7287 1 120 . 1 1 12 12 ALA HA H 1 4.092 0.01 . 1 . . . . 11 A HA . 7287 1 121 . 1 1 12 12 ALA HB1 H 1 1.459 0.01 . 1 . . . . 11 A HB# . 7287 1 122 . 1 1 12 12 ALA HB2 H 1 1.459 0.01 . 1 . . . . 11 A HB# . 7287 1 123 . 1 1 12 12 ALA HB3 H 1 1.459 0.01 . 1 . . . . 11 A HB# . 7287 1 124 . 1 1 12 12 ALA C C 13 181.036 0.1 . 1 . . . . 11 A CO . 7287 1 125 . 1 1 12 12 ALA CA C 13 55.258 0.1 . 1 . . . . 11 A CA . 7287 1 126 . 1 1 12 12 ALA CB C 13 18.27 0.1 . 1 . . . . 11 A CB . 7287 1 127 . 1 1 12 12 ALA N N 15 122.804 0.1 . 1 . . . . 11 A N . 7287 1 128 . 1 1 13 13 LEU H H 1 8.848 0.01 . 1 . . . . 12 L HN . 7287 1 129 . 1 1 13 13 LEU HA H 1 3.859 0.01 . 1 . . . . 12 L HA . 7287 1 130 . 1 1 13 13 LEU HB2 H 1 1.982 0.01 . 1 . . . . 12 L HB2 . 7287 1 131 . 1 1 13 13 LEU HB3 H 1 1.166 0.01 . 1 . . . . 12 L HB3 . 7287 1 132 . 1 1 13 13 LEU HG H 1 1.96 0.01 . 1 . . . . 12 L HG . 7287 1 133 . 1 1 13 13 LEU HD11 H 1 0.809 0.01 . 1 . . . . 12 L HD1# . 7287 1 134 . 1 1 13 13 LEU HD12 H 1 0.809 0.01 . 1 . . . . 12 L HD1# . 7287 1 135 . 1 1 13 13 LEU HD13 H 1 0.809 0.01 . 1 . . . . 12 L HD1# . 7287 1 136 . 1 1 13 13 LEU HD21 H 1 0.575 0.01 . 1 . . . . 12 L HD2# . 7287 1 137 . 1 1 13 13 LEU HD22 H 1 0.575 0.01 . 1 . . . . 12 L HD2# . 7287 1 138 . 1 1 13 13 LEU HD23 H 1 0.575 0.01 . 1 . . . . 12 L HD2# . 7287 1 139 . 1 1 13 13 LEU C C 13 178.888 0.1 . 1 . . . . 12 L CO . 7287 1 140 . 1 1 13 13 LEU CA C 13 58.18 0.1 . 1 . . . . 12 L CA . 7287 1 141 . 1 1 13 13 LEU CB C 13 41.294 0.1 . 1 . . . . 12 L CB . 7287 1 142 . 1 1 13 13 LEU CD1 C 13 27.835 0.1 . 1 . . . . 12 L CD1 . 7287 1 143 . 1 1 13 13 LEU CD2 C 13 23.622 0.1 . 1 . . . . 12 L CD2 . 7287 1 144 . 1 1 13 13 LEU N N 15 118.108 0.1 . 1 . . . . 12 L N . 7287 1 145 . 1 1 14 14 ASN H H 1 8.643 0.01 . 1 . . . . 13 N HN . 7287 1 146 . 1 1 14 14 ASN HA H 1 4.396 0.01 . 1 . . . . 13 N HA . 7287 1 147 . 1 1 14 14 ASN HB2 H 1 2.931 0.01 . 1 . . . . 13 N HB2 . 7287 1 148 . 1 1 14 14 ASN HB3 H 1 2.931 0.01 . 1 . . . . 13 N HB3 . 7287 1 149 . 1 1 14 14 ASN HD21 H 1 7.373 0.01 . 1 . . . . 13 N HD21 . 7287 1 150 . 1 1 14 14 ASN HD22 H 1 6.96 0.01 . 1 . . . . 13 N HD22 . 7287 1 151 . 1 1 14 14 ASN C C 13 178.403 0.1 . 1 . . . . 13 N CO . 7287 1 152 . 1 1 14 14 ASN CA C 13 56.433 0.1 . 1 . . . . 13 N CA . 7287 1 153 . 1 1 14 14 ASN CB C 13 38.348 0.1 . 1 . . . . 13 N CB . 7287 1 154 . 1 1 14 14 ASN N N 15 117.94 0.1 . 1 . . . . 13 N N . 7287 1 155 . 1 1 14 14 ASN ND2 N 15 113.117 0.1 . 1 . . . . 13 N ND2 . 7287 1 156 . 1 1 15 15 GLN H H 1 8.022 0.01 . 1 . . . . 14 Q HN . 7287 1 157 . 1 1 15 15 GLN HA H 1 4.019 0.01 . 1 . . . . 14 Q HA . 7287 1 158 . 1 1 15 15 GLN HB2 H 1 2.148 0.01 . 1 . . . . 14 Q HB2 . 7287 1 159 . 1 1 15 15 GLN HB3 H 1 2.148 0.01 . 1 . . . . 14 Q HB3 . 7287 1 160 . 1 1 15 15 GLN HG2 H 1 2.479 0.01 . 1 . . . . 14 Q HG2 . 7287 1 161 . 1 1 15 15 GLN HG3 H 1 2.419 0.01 . 1 . . . . 14 Q HG3 . 7287 1 162 . 1 1 15 15 GLN HE21 H 1 6.84 0.01 . 1 . . . . 14 Q HE21 . 7287 1 163 . 1 1 15 15 GLN HE22 H 1 7.567 0.01 . 1 . . . . 14 Q HE22 . 7287 1 164 . 1 1 15 15 GLN C C 13 179.121 0.1 . 1 . . . . 14 Q CO . 7287 1 165 . 1 1 15 15 GLN CA C 13 59.309 0.1 . 1 . . . . 14 Q CA . 7287 1 166 . 1 1 15 15 GLN CB C 13 27.814 0.1 . 1 . . . . 14 Q CB . 7287 1 167 . 1 1 15 15 GLN CG C 13 33.351 0.1 . 1 . . . . 14 Q CG . 7287 1 168 . 1 1 15 15 GLN N N 15 120.19 0.1 . 1 . . . . 14 Q N . 7287 1 169 . 1 1 15 15 GLN NE2 N 15 111.562 0.1 . 1 . . . . 14 Q NE2 . 7287 1 170 . 1 1 16 16 LEU H H 1 7.928 0.01 . 1 . . . . 15 L HN . 7287 1 171 . 1 1 16 16 LEU HA H 1 3.944 0.01 . 1 . . . . 15 L HA . 7287 1 172 . 1 1 16 16 LEU HB2 H 1 1.036 0.01 . 1 . . . . 15 L HB2 . 7287 1 173 . 1 1 16 16 LEU HB3 H 1 1.839 0.01 . 1 . . . . 15 L HB3 . 7287 1 174 . 1 1 16 16 LEU HG H 1 2.242 0.01 . 1 . . . . 15 L HG . 7287 1 175 . 1 1 16 16 LEU HD11 H 1 0.721 0.01 . 1 . . . . 15 L HD1# . 7287 1 176 . 1 1 16 16 LEU HD12 H 1 0.721 0.01 . 1 . . . . 15 L HD1# . 7287 1 177 . 1 1 16 16 LEU HD13 H 1 0.721 0.01 . 1 . . . . 15 L HD1# . 7287 1 178 . 1 1 16 16 LEU HD21 H 1 0.551 0.01 . 1 . . . . 15 L HD2# . 7287 1 179 . 1 1 16 16 LEU HD22 H 1 0.551 0.01 . 1 . . . . 15 L HD2# . 7287 1 180 . 1 1 16 16 LEU HD23 H 1 0.551 0.01 . 1 . . . . 15 L HD2# . 7287 1 181 . 1 1 16 16 LEU C C 13 178.932 0.1 . 1 . . . . 15 L CO . 7287 1 182 . 1 1 16 16 LEU CA C 13 57.943 0.1 . 1 . . . . 15 L CA . 7287 1 183 . 1 1 16 16 LEU CB C 13 41.765 0.1 . 1 . . . . 15 L CB . 7287 1 184 . 1 1 16 16 LEU CG C 13 26.689 0.1 . 1 . . . . 15 L CG . 7287 1 185 . 1 1 16 16 LEU CD1 C 13 25.505 0.1 . 1 . . . . 15 L CD1 . 7287 1 186 . 1 1 16 16 LEU CD2 C 13 23.351 0.1 . 1 . . . . 15 L CD2 . 7287 1 187 . 1 1 16 16 LEU N N 15 120.574 0.1 . 1 . . . . 15 L N . 7287 1 188 . 1 1 17 17 MET H H 1 8.603 0.01 . 1 . . . . 16 M HN . 7287 1 189 . 1 1 17 17 MET HA H 1 4.141 0.01 . 1 . . . . 16 M HA . 7287 1 190 . 1 1 17 17 MET HB2 H 1 2.139 0.01 . 1 . . . . 16 M HB2 . 7287 1 191 . 1 1 17 17 MET HB3 H 1 2.139 0.01 . 1 . . . . 16 M HB3 . 7287 1 192 . 1 1 17 17 MET HG2 H 1 2.472 0.01 . 1 . . . . 16 M HG2 . 7287 1 193 . 1 1 17 17 MET HG3 H 1 2.549 0.01 . 1 . . . . 16 M HG3 . 7287 1 194 . 1 1 17 17 MET HE1 H 1 2.122 0.01 . 1 . . . . 16 M HE# . 7287 1 195 . 1 1 17 17 MET HE2 H 1 2.122 0.01 . 1 . . . . 16 M HE# . 7287 1 196 . 1 1 17 17 MET HE3 H 1 2.122 0.01 . 1 . . . . 16 M HE# . 7287 1 197 . 1 1 17 17 MET C C 13 178.032 0.1 . 1 . . . . 16 M CO . 7287 1 198 . 1 1 17 17 MET CA C 13 57.735 0.1 . 1 . . . . 16 M CA . 7287 1 199 . 1 1 17 17 MET CB C 13 30.412 0.1 . 1 . . . . 16 M CB . 7287 1 200 . 1 1 17 17 MET CG C 13 32.344 0.1 . 1 . . . . 16 M CG . 7287 1 201 . 1 1 17 17 MET N N 15 118.141 0.1 . 1 . . . . 16 M N . 7287 1 202 . 1 1 18 18 ARG H H 1 7.803 0.1 . 1 . . . . 17 R HN . 7287 1 203 . 1 1 18 18 ARG HA H 1 3.976 0.01 . 1 . . . . 17 R HA . 7287 1 204 . 1 1 18 18 ARG HB2 H 1 1.897 0.01 . 1 . . . . 17 R HB2 . 7287 1 205 . 1 1 18 18 ARG HB3 H 1 1.811 0.01 . 1 . . . . 17 R HB3 . 7287 1 206 . 1 1 18 18 ARG HG2 H 1 1.504 0.01 . 1 . . . . 17 R HG2 . 7287 1 207 . 1 1 18 18 ARG HG3 H 1 1.504 0.01 . 1 . . . . 17 R HG3 . 7287 1 208 . 1 1 18 18 ARG HD2 H 1 3.138 0.01 . 1 . . . . 17 R HD2 . 7287 1 209 . 1 1 18 18 ARG HD3 H 1 3.138 0.01 . 1 . . . . 17 R HD3 . 7287 1 210 . 1 1 18 18 ARG C C 13 179.514 0.1 . 1 . . . . 17 R CO . 7287 1 211 . 1 1 18 18 ARG CA C 13 59.626 0.1 . 1 . . . . 17 R CA . 7287 1 212 . 1 1 18 18 ARG CB C 13 30.023 0.1 . 1 . . . . 17 R CB . 7287 1 213 . 1 1 18 18 ARG CG C 13 27.674 0.1 . 1 . . . . 17 R CG . 7287 1 214 . 1 1 18 18 ARG CD C 13 43.599 0.1 . 1 . . . . 17 R CD . 7287 1 215 . 1 1 18 18 ARG N N 15 118.291 0.1 . 1 . . . . 17 R N . 7287 1 216 . 1 1 19 19 GLN H H 1 7.361 0.01 . 1 . . . . 18 Q HN . 7287 1 217 . 1 1 19 19 GLN HA H 1 3.92 0.01 . 1 . . . . 18 Q HA . 7287 1 218 . 1 1 19 19 GLN HB2 H 1 2.001 0.01 . 1 . . . . 18 Q HB2 . 7287 1 219 . 1 1 19 19 GLN HB3 H 1 2.227 0.01 . 1 . . . . 18 Q HB3 . 7287 1 220 . 1 1 19 19 GLN HG2 H 1 2.539 0.01 . 1 . . . . 18 Q HG2 . 7287 1 221 . 1 1 19 19 GLN HG3 H 1 2.275 0.01 . 1 . . . . 18 Q HG3 . 7287 1 222 . 1 1 19 19 GLN HE21 H 1 7.186 0.01 . 1 . . . . 18 Q HE21 . 7287 1 223 . 1 1 19 19 GLN HE22 H 1 6.888 0.01 . 1 . . . . 18 Q HE22 . 7287 1 224 . 1 1 19 19 GLN C C 13 178.91 0.1 . 1 . . . . 18 Q CO . 7287 1 225 . 1 1 19 19 GLN CA C 13 59.177 0.1 . 1 . . . . 18 Q CA . 7287 1 226 . 1 1 19 19 GLN CB C 13 29.782 0.1 . 1 . . . . 18 Q CB . 7287 1 227 . 1 1 19 19 GLN CG C 13 34.408 0.1 . 1 . . . . 18 Q CG . 7287 1 228 . 1 1 19 19 GLN N N 15 116.717 0.1 . 1 . . . . 18 Q N . 7287 1 229 . 1 1 19 19 GLN NE2 N 15 110.816 0.1 . 1 . . . . 18 Q NE2 . 7287 1 230 . 1 1 20 20 LEU H H 1 8.463 0.01 . 1 . . . . 19 L HN . 7287 1 231 . 1 1 20 20 LEU HA H 1 3.743 0.01 . 1 . . . . 19 L HA . 7287 1 232 . 1 1 20 20 LEU HB2 H 1 1.715 0.01 . 1 . . . . 19 L HB2 . 7287 1 233 . 1 1 20 20 LEU HB3 H 1 1.715 0.01 . 1 . . . . 19 L HB3 . 7287 1 234 . 1 1 20 20 LEU HG H 1 1.21 0.01 . 1 . . . . 19 L HG . 7287 1 235 . 1 1 20 20 LEU HD11 H 1 0.433 0.01 . 1 . . . . 19 L HD1# . 7287 1 236 . 1 1 20 20 LEU HD12 H 1 0.433 0.01 . 1 . . . . 19 L HD1# . 7287 1 237 . 1 1 20 20 LEU HD13 H 1 0.433 0.01 . 1 . . . . 19 L HD1# . 7287 1 238 . 1 1 20 20 LEU HD21 H 1 0.128 0.01 . 1 . . . . 19 L HD2# . 7287 1 239 . 1 1 20 20 LEU HD22 H 1 0.128 0.01 . 1 . . . . 19 L HD2# . 7287 1 240 . 1 1 20 20 LEU HD23 H 1 0.128 0.01 . 1 . . . . 19 L HD2# . 7287 1 241 . 1 1 20 20 LEU C C 13 178.981 0.1 . 1 . . . . 19 L CO . 7287 1 242 . 1 1 20 20 LEU CA C 13 57.925 0.1 . 1 . . . . 19 L CA . 7287 1 243 . 1 1 20 20 LEU CB C 13 42.512 0.1 . 1 . . . . 19 L CB . 7287 1 244 . 1 1 20 20 LEU CG C 13 21.897 0.1 . 1 . . . . 19 L CG . 7287 1 245 . 1 1 20 20 LEU CD1 C 13 24.397 0.1 . 1 . . . . 19 L CD1 . 7287 1 246 . 1 1 20 20 LEU CD2 C 13 22.789 0.1 . 1 . . . . 19 L CD2 . 7287 1 247 . 1 1 20 20 LEU N N 15 118.802 0.1 . 1 . . . . 19 L N . 7287 1 248 . 1 1 21 21 GLN H H 1 8.227 0.01 . 1 . . . . 20 Q HN . 7287 1 249 . 1 1 21 21 GLN HA H 1 3.477 0.01 . 1 . . . . 20 Q HA . 7287 1 250 . 1 1 21 21 GLN HB2 H 1 1.747 0.01 . 1 . . . . 20 Q HB2 . 7287 1 251 . 1 1 21 21 GLN HB3 H 1 1.492 0.01 . 1 . . . . 20 Q HB3 . 7287 1 252 . 1 1 21 21 GLN HG2 H 1 1.025 0.01 . 1 . . . . 20 Q HG2 . 7287 1 253 . 1 1 21 21 GLN HG3 H 1 1.744 0.01 . 1 . . . . 20 Q HG3 . 7287 1 254 . 1 1 21 21 GLN HE21 H 1 6.814 0.01 . 1 . . . . 20 Q HE21 . 7287 1 255 . 1 1 21 21 GLN HE22 H 1 7.047 0.01 . 1 . . . . 20 Q HE22 . 7287 1 256 . 1 1 21 21 GLN C C 13 179.302 0.1 . 1 . . . . 20 Q CO . 7287 1 257 . 1 1 21 21 GLN CA C 13 59.756 0.1 . 1 . . . . 20 Q CA . 7287 1 258 . 1 1 21 21 GLN CB C 13 28.646 0.1 . 1 . . . . 20 Q CB . 7287 1 259 . 1 1 21 21 GLN CG C 13 34.964 0.1 . 1 . . . . 20 Q CG . 7287 1 260 . 1 1 21 21 GLN N N 15 115.424 0.1 . 1 . . . . 20 Q N . 7287 1 261 . 1 1 21 21 GLN NE2 N 15 110.192 0.1 . 1 . . . . 20 Q NE2 . 7287 1 262 . 1 1 22 22 ARG H H 1 7.173 0.01 . 1 . . . . 21 R HN . 7287 1 263 . 1 1 22 22 ARG HA H 1 4.007 0.01 . 1 . . . . 21 R HA . 7287 1 264 . 1 1 22 22 ARG HB2 H 1 1.859 0.01 . 1 . . . . 21 R HB2 . 7287 1 265 . 1 1 22 22 ARG HB3 H 1 1.92 0.01 . 1 . . . . 21 R HB3 . 7287 1 266 . 1 1 22 22 ARG HG2 H 1 1.662 0.01 . 1 . . . . 21 R HG2 . 7287 1 267 . 1 1 22 22 ARG HG3 H 1 1.662 0.01 . 1 . . . . 21 R HG3 . 7287 1 268 . 1 1 22 22 ARG HD2 H 1 3.148 0.01 . 1 . . . . 21 R HD2 . 7287 1 269 . 1 1 22 22 ARG HD3 H 1 3.148 0.01 . 1 . . . . 21 R HD3 . 7287 1 270 . 1 1 22 22 ARG C C 13 177.659 0.1 . 1 . . . . 21 R CO . 7287 1 271 . 1 1 22 22 ARG CA C 13 58.242 0.1 . 1 . . . . 21 R CA . 7287 1 272 . 1 1 22 22 ARG CB C 13 29.957 0.1 . 1 . . . . 21 R CB . 7287 1 273 . 1 1 22 22 ARG CG C 13 27.34 0.1 . 1 . . . . 21 R CG . 7287 1 274 . 1 1 22 22 ARG CD C 13 43.499 0.1 . 1 . . . . 21 R CD . 7287 1 275 . 1 1 22 22 ARG N N 15 118.194 0.1 . 1 . . . . 21 R N . 7287 1 276 . 1 1 23 23 LYS H H 1 7.316 0.01 . 1 . . . . 22 K HN . 7287 1 277 . 1 1 23 23 LYS HA H 1 4.417 0.01 . 1 . . . . 22 K HA . 7287 1 278 . 1 1 23 23 LYS HB2 H 1 2.202 0.01 . 1 . . . . 22 K HB2 . 7287 1 279 . 1 1 23 23 LYS HB3 H 1 2.202 0.01 . 1 . . . . 22 K HB3 . 7287 1 280 . 1 1 23 23 LYS HG2 H 1 1.245 0.01 . 1 . . . . 22 K HG2 . 7287 1 281 . 1 1 23 23 LYS HG3 H 1 1.245 0.01 . 1 . . . . 22 K HG3 . 7287 1 282 . 1 1 23 23 LYS HD2 H 1 1.568 0.01 . 1 . . . . 22 K HD2 . 7287 1 283 . 1 1 23 23 LYS HD3 H 1 1.568 0.01 . 1 . . . . 22 K HD3 . 7287 1 284 . 1 1 23 23 LYS HE2 H 1 2.934 0.01 . 1 . . . . 22 K HE2 . 7287 1 285 . 1 1 23 23 LYS HE3 H 1 2.934 0.01 . 1 . . . . 22 K HE3 . 7287 1 286 . 1 1 23 23 LYS C C 13 174.126 0.1 . 1 . . . . 22 K CO . 7287 1 287 . 1 1 23 23 LYS CA C 13 54.038 0.1 . 1 . . . . 22 K CA . 7287 1 288 . 1 1 23 23 LYS CB C 13 30.786 0.1 . 1 . . . . 22 K CB . 7287 1 289 . 1 1 23 23 LYS CG C 13 22.33 0.1 . 1 . . . . 22 K CG . 7287 1 290 . 1 1 23 23 LYS CD C 13 26.821 0.1 . 1 . . . . 22 K CD . 7287 1 291 . 1 1 23 23 LYS CE C 13 38.951 0.1 . 1 . . . . 22 K CE . 7287 1 292 . 1 1 23 23 LYS N N 15 114.81 0.1 . 1 . . . . 22 K N . 7287 1 293 . 1 1 24 24 ASP H H 1 7.53 0.01 . 1 . . . . 23 D HN . 7287 1 294 . 1 1 24 24 ASP HA H 1 5.432 0.01 . 1 . . . . 23 D HA . 7287 1 295 . 1 1 24 24 ASP HB2 H 1 3.103 0.01 . 1 . . . . 23 D HB2 . 7287 1 296 . 1 1 24 24 ASP HB3 H 1 3.103 0.01 . 1 . . . . 23 D HB3 . 7287 1 297 . 1 1 24 24 ASP CA C 13 51.514 0.1 . 1 . . . . 23 D CA . 7287 1 298 . 1 1 24 24 ASP CB C 13 43.22 0.1 . 1 . . . . 23 D CB . 7287 1 299 . 1 1 24 24 ASP N N 15 118.297 0.1 . 1 . . . . 23 D N . 7287 1 300 . 1 1 25 25 PRO HA H 1 4.34 0.01 . 1 . . . . 24 P HA . 7287 1 301 . 1 1 25 25 PRO HB2 H 1 2.273 0.01 . 1 . . . . 24 P HB2 . 7287 1 302 . 1 1 25 25 PRO HB3 H 1 2.021 0.01 . 1 . . . . 24 P HB3 . 7287 1 303 . 1 1 25 25 PRO HG2 H 1 2.152 0.01 . 1 . . . . 24 P HG2 . 7287 1 304 . 1 1 25 25 PRO HG3 H 1 2.007 0.01 . 1 . . . . 24 P HG3 . 7287 1 305 . 1 1 25 25 PRO HD2 H 1 3.885 0.01 . 1 . . . . 24 P HD2 . 7287 1 306 . 1 1 25 25 PRO HD3 H 1 3.313 0.01 . 1 . . . . 24 P HD3 . 7287 1 307 . 1 1 25 25 PRO C C 13 178.641 0.1 . 1 . . . . 24 P CO . 7287 1 308 . 1 1 25 25 PRO CA C 13 65.257 0.1 . 1 . . . . 24 P CA . 7287 1 309 . 1 1 25 25 PRO CB C 13 31.597 0.1 . 1 . . . . 24 P CB . 7287 1 310 . 1 1 25 25 PRO CG C 13 27.586 0.1 . 1 . . . . 24 P CG . 7287 1 311 . 1 1 25 25 PRO CD C 13 51.679 0.1 . 1 . . . . 24 P CD . 7287 1 312 . 1 1 26 26 SER H H 1 8.271 0.01 . 1 . . . . 25 S HN . 7287 1 313 . 1 1 26 26 SER HA H 1 4.139 0.01 . 1 . . . . 25 S HA . 7287 1 314 . 1 1 26 26 SER HB2 H 1 3.062 0.01 . 1 . . . . 25 S HB2 . 7287 1 315 . 1 1 26 26 SER HB3 H 1 2.64 0.01 . 1 . . . . 25 S HB3 . 7287 1 316 . 1 1 26 26 SER HG H 1 4.399 0.01 . 1 . . . . 25 S HG . 7287 1 317 . 1 1 26 26 SER C C 13 172.228 0.1 . 1 . . . . 25 S CO . 7287 1 318 . 1 1 26 26 SER CA C 13 58.802 0.1 . 1 . . . . 25 S CA . 7287 1 319 . 1 1 26 26 SER CB C 13 62.072 0.1 . 1 . . . . 25 S CB . 7287 1 320 . 1 1 26 26 SER N N 15 114.345 0.1 . 1 . . . . 25 S N . 7287 1 321 . 1 1 27 27 ALA H H 1 8.011 0.01 . 1 . . . . 26 A HN . 7287 1 322 . 1 1 27 27 ALA HA H 1 4.091 0.01 . 1 . . . . 26 A HA . 7287 1 323 . 1 1 27 27 ALA HB1 H 1 1.383 0.01 . 1 . . . . 26 A HB# . 7287 1 324 . 1 1 27 27 ALA HB2 H 1 1.383 0.01 . 1 . . . . 26 A HB# . 7287 1 325 . 1 1 27 27 ALA HB3 H 1 1.383 0.01 . 1 . . . . 26 A HB# . 7287 1 326 . 1 1 27 27 ALA C C 13 178.326 0.1 . 1 . . . . 26 A CO . 7287 1 327 . 1 1 27 27 ALA CA C 13 52.928 0.1 . 1 . . . . 26 A CA . 7287 1 328 . 1 1 27 27 ALA CB C 13 16.196 0.1 . 1 . . . . 26 A CB . 7287 1 329 . 1 1 27 27 ALA N N 15 122.2 0.1 . 1 . . . . 26 A N . 7287 1 330 . 1 1 28 28 PHE H H 1 9.282 0.01 . 1 . . . . 27 F HN . 7287 1 331 . 1 1 28 28 PHE HA H 1 4.491 0.01 . 1 . . . . 27 F HA . 7287 1 332 . 1 1 28 28 PHE HB2 H 1 2.312 0.01 . 1 . . . . 27 F HB2 . 7287 1 333 . 1 1 28 28 PHE HB3 H 1 2.312 0.01 . 1 . . . . 27 F HB3 . 7287 1 334 . 1 1 28 28 PHE HD1 H 1 7.015 0.01 . 1 . . . . 27 F HD1 . 7287 1 335 . 1 1 28 28 PHE HD2 H 1 7.159 0.01 . 1 . . . . 27 F HD2 . 7287 1 336 . 1 1 28 28 PHE HE1 H 1 6.608 0.01 . 1 . . . . 27 F HE1 . 7287 1 337 . 1 1 28 28 PHE HE2 H 1 6.608 0.01 . 1 . . . . 27 F HE2 . 7287 1 338 . 1 1 28 28 PHE C C 13 179.451 0.1 . 1 . . . . 27 F CO . 7287 1 339 . 1 1 28 28 PHE CA C 13 57.945 0.1 . 1 . . . . 27 F CA . 7287 1 340 . 1 1 28 28 PHE CB C 13 38.079 0.1 . 1 . . . . 27 F CB . 7287 1 341 . 1 1 28 28 PHE N N 15 120.535 0.1 . 1 . . . . 27 F N . 7287 1 342 . 1 1 29 29 PHE H H 1 10.107 0.01 . 1 . . . . 28 F HN . 7287 1 343 . 1 1 29 29 PHE HA H 1 5.192 0.01 . 1 . . . . 28 F HA . 7287 1 344 . 1 1 29 29 PHE HB2 H 1 2.64 0.01 . 1 . . . . 28 F HB2 . 7287 1 345 . 1 1 29 29 PHE HB3 H 1 3.888 0.01 . 1 . . . . 28 F HB3 . 7287 1 346 . 1 1 29 29 PHE HD1 H 1 7.293 0.01 . 1 . . . . 28 F HD1 . 7287 1 347 . 1 1 29 29 PHE HD2 H 1 7.293 0.01 . 1 . . . . 28 F HD2 . 7287 1 348 . 1 1 29 29 PHE C C 13 175.541 0.1 . 1 . . . . 28 F CO . 7287 1 349 . 1 1 29 29 PHE CA C 13 57.749 0.1 . 1 . . . . 28 F CA . 7287 1 350 . 1 1 29 29 PHE CB C 13 38.271 0.1 . 1 . . . . 28 F CB . 7287 1 351 . 1 1 29 29 PHE N N 15 119.937 0.1 . 1 . . . . 28 F N . 7287 1 352 . 1 1 30 30 SER H H 1 7.033 0.01 . 1 . . . . 29 S HN . 7287 1 353 . 1 1 30 30 SER HA H 1 4.196 0.01 . 1 . . . . 29 S HA . 7287 1 354 . 1 1 30 30 SER HB2 H 1 3.207 0.01 . 1 . . . . 29 S HB2 . 7287 1 355 . 1 1 30 30 SER HB3 H 1 3.526 0.01 . 1 . . . . 29 S HB3 . 7287 1 356 . 1 1 30 30 SER C C 13 172.713 0.1 . 1 . . . . 29 S CO . 7287 1 357 . 1 1 30 30 SER CA C 13 62.241 0.1 . 1 . . . . 29 S CA . 7287 1 358 . 1 1 30 30 SER CB C 13 64.281 0.1 . 1 . . . . 29 S CB . 7287 1 359 . 1 1 30 30 SER N N 15 113.775 0.1 . 1 . . . . 29 S N . 7287 1 360 . 1 1 31 31 PHE H H 1 8.054 0.01 . 1 . . . . 30 F HN . 7287 1 361 . 1 1 31 31 PHE HA H 1 5.288 0.01 . 1 . . . . 30 F HA . 7287 1 362 . 1 1 31 31 PHE HB2 H 1 3.257 0.01 . 1 . . . . 30 F HB2 . 7287 1 363 . 1 1 31 31 PHE HB3 H 1 2.591 0.01 . 1 . . . . 30 F HB3 . 7287 1 364 . 1 1 31 31 PHE HD1 H 1 7.301 0.01 . 1 . . . . 30 F HD1 . 7287 1 365 . 1 1 31 31 PHE HD2 H 1 7.301 0.01 . 1 . . . . 30 F HD2 . 7287 1 366 . 1 1 31 31 PHE C C 13 172.417 0.1 . 1 . . . . 30 F CO . 7287 1 367 . 1 1 31 31 PHE CA C 13 55.282 0.1 . 1 . . . . 30 F CA . 7287 1 368 . 1 1 31 31 PHE CB C 13 39.989 0.1 . 1 . . . . 30 F CB . 7287 1 369 . 1 1 31 31 PHE N N 15 117.486 0.1 . 1 . . . . 30 F N . 7287 1 370 . 1 1 32 32 PRO HA H 1 4.158 0.01 . 1 . . . . 31 P HA . 7287 1 371 . 1 1 32 32 PRO HB2 H 1 2.079 0.01 . 1 . . . . 31 P HB2 . 7287 1 372 . 1 1 32 32 PRO HB3 H 1 1.619 0.01 . 1 . . . . 31 P HB3 . 7287 1 373 . 1 1 32 32 PRO HG2 H 1 2.545 0.01 . 1 . . . . 31 P HG2 . 7287 1 374 . 1 1 32 32 PRO HG3 H 1 2.214 0.01 . 1 . . . . 31 P HG3 . 7287 1 375 . 1 1 32 32 PRO HD2 H 1 3.692 0.01 . 1 . . . . 31 P HD2 . 7287 1 376 . 1 1 32 32 PRO HD3 H 1 3.92 0.01 . 1 . . . . 31 P HD3 . 7287 1 377 . 1 1 32 32 PRO C C 13 175.989 0.1 . 1 . . . . 31 P CO . 7287 1 378 . 1 1 32 32 PRO CA C 13 61.978 0.1 . 1 . . . . 31 P CA . 7287 1 379 . 1 1 32 32 PRO CB C 13 32.788 0.1 . 1 . . . . 31 P CB . 7287 1 380 . 1 1 32 32 PRO CD C 13 50.809 0.1 . 1 . . . . 31 P CD . 7287 1 381 . 1 1 33 33 VAL H H 1 8.556 0.01 . 1 . . . . 32 V HN . 7287 1 382 . 1 1 33 33 VAL HA H 1 3.634 0.01 . 1 . . . . 32 V HA . 7287 1 383 . 1 1 33 33 VAL HB H 1 1.105 0.01 . 1 . . . . 32 V HB . 7287 1 384 . 1 1 33 33 VAL HG11 H 1 0.662 0.01 . 1 . . . . 32 V HG1# . 7287 1 385 . 1 1 33 33 VAL HG12 H 1 0.662 0.01 . 1 . . . . 32 V HG1# . 7287 1 386 . 1 1 33 33 VAL HG13 H 1 0.662 0.01 . 1 . . . . 32 V HG1# . 7287 1 387 . 1 1 33 33 VAL HG21 H 1 -0.099 0.01 . 1 . . . . 32 V HG2# . 7287 1 388 . 1 1 33 33 VAL HG22 H 1 -0.099 0.01 . 1 . . . . 32 V HG2# . 7287 1 389 . 1 1 33 33 VAL HG23 H 1 -0.099 0.01 . 1 . . . . 32 V HG2# . 7287 1 390 . 1 1 33 33 VAL C C 13 175.604 0.1 . 1 . . . . 32 V CO . 7287 1 391 . 1 1 33 33 VAL CA C 13 63.534 0.1 . 1 . . . . 32 V CA . 7287 1 392 . 1 1 33 33 VAL CB C 13 32.018 0.1 . 1 . . . . 32 V CB . 7287 1 393 . 1 1 33 33 VAL CG1 C 13 21.472 0.1 . 1 . . . . 32 V CG1 . 7287 1 394 . 1 1 33 33 VAL CG2 C 13 22.285 0.1 . 1 . . . . 32 V CG2 . 7287 1 395 . 1 1 33 33 VAL N N 15 125.133 0.1 . 1 . . . . 32 V N . 7287 1 396 . 1 1 34 34 THR H H 1 6.567 0.01 . 1 . . . . 33 T HN . 7287 1 397 . 1 1 34 34 THR HA H 1 4.62 0.01 . 1 . . . . 33 T HA . 7287 1 398 . 1 1 34 34 THR HB H 1 4.536 0.01 . 1 . . . . 33 T HB . 7287 1 399 . 1 1 34 34 THR HG21 H 1 1.16 0.01 . 1 . . . . 33 T HG2# . 7287 1 400 . 1 1 34 34 THR HG22 H 1 1.16 0.01 . 1 . . . . 33 T HG2# . 7287 1 401 . 1 1 34 34 THR HG23 H 1 1.16 0.01 . 1 . . . . 33 T HG2# . 7287 1 402 . 1 1 34 34 THR C C 13 174.361 0.1 . 1 . . . . 33 T CO . 7287 1 403 . 1 1 34 34 THR CA C 13 59.138 0.1 . 1 . . . . 33 T CA . 7287 1 404 . 1 1 34 34 THR CB C 13 71.964 0.1 . 1 . . . . 33 T CB . 7287 1 405 . 1 1 34 34 THR CG2 C 13 21.064 0.1 . 1 . . . . 33 T CG2 . 7287 1 406 . 1 1 34 34 THR N N 15 114.332 0.1 . 1 . . . . 33 T N . 7287 1 407 . 1 1 35 35 ASP H H 1 8.727 0.01 . 1 . . . . 34 D HN . 7287 1 408 . 1 1 35 35 ASP HA H 1 4.77 0.01 . 1 . . . . 34 D HA . 7287 1 409 . 1 1 35 35 ASP HB2 H 1 2.407 0.01 . 1 . . . . 34 D HB2 . 7287 1 410 . 1 1 35 35 ASP HB3 H 1 2.713 0.01 . 1 . . . . 34 D HB3 . 7287 1 411 . 1 1 35 35 ASP C C 13 177.206 0.1 . 1 . . . . 34 D CO . 7287 1 412 . 1 1 35 35 ASP CA C 13 55.72 0.1 . 1 . . . . 34 D CA . 7287 1 413 . 1 1 35 35 ASP CB C 13 39.698 0.1 . 1 . . . . 34 D CB . 7287 1 414 . 1 1 35 35 ASP N N 15 121.027 0.1 . 1 . . . . 34 D N . 7287 1 415 . 1 1 36 36 PHE H H 1 7.436 0.01 . 1 . . . . 35 F HN . 7287 1 416 . 1 1 36 36 PHE HA H 1 4.261 0.01 . 1 . . . . 35 F HA . 7287 1 417 . 1 1 36 36 PHE HB2 H 1 2.992 0.01 . 1 . . . . 35 F HB2 . 7287 1 418 . 1 1 36 36 PHE HB3 H 1 2.992 0.01 . 1 . . . . 35 F HB3 . 7287 1 419 . 1 1 36 36 PHE HD1 H 1 7.186 0.01 . 1 . . . . 35 F HD1 . 7287 1 420 . 1 1 36 36 PHE HD2 H 1 7.186 0.01 . 1 . . . . 35 F HD2 . 7287 1 421 . 1 1 36 36 PHE C C 13 176.938 0.1 . 1 . . . . 35 F CO . 7287 1 422 . 1 1 36 36 PHE CA C 13 59.913 0.1 . 1 . . . . 35 F CA . 7287 1 423 . 1 1 36 36 PHE CB C 13 39.014 0.1 . 1 . . . . 35 F CB . 7287 1 424 . 1 1 36 36 PHE N N 15 116.237 0.1 . 1 . . . . 35 F N . 7287 1 425 . 1 1 37 37 ILE H H 1 7 0.01 . 1 . . . . 36 I HN . 7287 1 426 . 1 1 37 37 ILE HA H 1 4.064 0.01 . 1 . . . . 36 I HA . 7287 1 427 . 1 1 37 37 ILE HB H 1 1.864 0.01 . 1 . . . . 36 I HB . 7287 1 428 . 1 1 37 37 ILE HG12 H 1 1.248 0.01 . 1 . . . . 36 I HG11 . 7287 1 429 . 1 1 37 37 ILE HG13 H 1 1.248 0.01 . 1 . . . . 36 I HG12 . 7287 1 430 . 1 1 37 37 ILE HG21 H 1 0.921 0.01 . 1 . . . . 36 I HG2# . 7287 1 431 . 1 1 37 37 ILE HG22 H 1 0.921 0.01 . 1 . . . . 36 I HG2# . 7287 1 432 . 1 1 37 37 ILE HG23 H 1 0.921 0.01 . 1 . . . . 36 I HG2# . 7287 1 433 . 1 1 37 37 ILE HD11 H 1 1.477 0.01 . 1 . . . . 36 I HD1# . 7287 1 434 . 1 1 37 37 ILE HD12 H 1 1.477 0.01 . 1 . . . . 36 I HD1# . 7287 1 435 . 1 1 37 37 ILE HD13 H 1 1.477 0.01 . 1 . . . . 36 I HD1# . 7287 1 436 . 1 1 37 37 ILE C C 13 175.589 0.1 . 1 . . . . 36 I CO . 7287 1 437 . 1 1 37 37 ILE CA C 13 61.556 0.1 . 1 . . . . 36 I CA . 7287 1 438 . 1 1 37 37 ILE CB C 13 39.156 0.1 . 1 . . . . 36 I CB . 7287 1 439 . 1 1 37 37 ILE CG1 C 13 27.122 0.1 . 1 . . . . 36 I CG1 . 7287 1 440 . 1 1 37 37 ILE CG2 C 13 13.801 0.1 . 1 . . . . 36 I CG2 . 7287 1 441 . 1 1 37 37 ILE CD1 C 13 17.757 0.1 . 1 . . . . 36 I CD1 . 7287 1 442 . 1 1 37 37 ILE N N 15 114.932 0.1 . 1 . . . . 36 I N . 7287 1 443 . 1 1 38 38 ALA H H 1 7.876 0.01 . 1 . . . . 37 A HN . 7287 1 444 . 1 1 38 38 ALA HA H 1 4.794 0.01 . 1 . . . . 37 A HA . 7287 1 445 . 1 1 38 38 ALA HB1 H 1 0.884 0.01 . 1 . . . . 37 A HB# . 7287 1 446 . 1 1 38 38 ALA HB2 H 1 0.884 0.01 . 1 . . . . 37 A HB# . 7287 1 447 . 1 1 38 38 ALA HB3 H 1 0.884 0.01 . 1 . . . . 37 A HB# . 7287 1 448 . 1 1 38 38 ALA C C 13 171.674 0.1 . 1 . . . . 37 A CO . 7287 1 449 . 1 1 38 38 ALA CA C 13 49.127 0.1 . 1 . . . . 37 A CA . 7287 1 450 . 1 1 38 38 ALA CB C 13 19.878 0.1 . 1 . . . . 37 A CB . 7287 1 451 . 1 1 38 38 ALA N N 15 126.374 0.1 . 1 . . . . 37 A N . 7287 1 452 . 1 1 39 39 PRO HA H 1 4.497 0.01 . 1 . . . . 38 P HA . 7287 1 453 . 1 1 39 39 PRO HB2 H 1 1.889 0.01 . 1 . . . . 38 P HB2 . 7287 1 454 . 1 1 39 39 PRO HB3 H 1 2.275 0.01 . 1 . . . . 38 P HB3 . 7287 1 455 . 1 1 39 39 PRO HG2 H 1 1.647 0.01 . 1 . . . . 38 P HG2 . 7287 1 456 . 1 1 39 39 PRO HG3 H 1 1.307 0.01 . 1 . . . . 38 P HG3 . 7287 1 457 . 1 1 39 39 PRO HD2 H 1 3.636 0.01 . 1 . . . . 38 P HD2 . 7287 1 458 . 1 1 39 39 PRO HD3 H 1 3.433 0.01 . 1 . . . . 38 P HD3 . 7287 1 459 . 1 1 39 39 PRO C C 13 179.89 0.1 . 1 . . . . 38 P CO . 7287 1 460 . 1 1 39 39 PRO CA C 13 63.945 0.1 . 1 . . . . 38 P CA . 7287 1 461 . 1 1 39 39 PRO CB C 13 31.333 0.1 . 1 . . . . 38 P CB . 7287 1 462 . 1 1 39 39 PRO CG C 13 26.966 0.1 . 1 . . . . 38 P CG . 7287 1 463 . 1 1 39 39 PRO CD C 13 49.617 0.1 . 1 . . . . 38 P CD . 7287 1 464 . 1 1 40 40 GLY H H 1 9.037 0.01 . 1 . . . . 39 G HN . 7287 1 465 . 1 1 40 40 GLY HA2 H 1 3.832 0.01 . 1 . . . . 39 G HA1 . 7287 1 466 . 1 1 40 40 GLY HA3 H 1 4.195 0.01 . 1 . . . . 39 G HA2 . 7287 1 467 . 1 1 40 40 GLY C C 13 175.18 0.1 . 1 . . . . 39 G CO . 7287 1 468 . 1 1 40 40 GLY CA C 13 45.918 0.1 . 1 . . . . 39 G CA . 7287 1 469 . 1 1 40 40 GLY N N 15 114.09 0.1 . 1 . . . . 39 G N . 7287 1 470 . 1 1 41 41 TYR H H 1 8.353 0.01 . 1 . . . . 40 Y HN . 7287 1 471 . 1 1 41 41 TYR HA H 1 3.579 0.01 . 1 . . . . 40 Y HA . 7287 1 472 . 1 1 41 41 TYR HB2 H 1 2.788 0.01 . 1 . . . . 40 Y HB2 . 7287 1 473 . 1 1 41 41 TYR HB3 H 1 3.246 0.01 . 1 . . . . 40 Y HB3 . 7287 1 474 . 1 1 41 41 TYR HD1 H 1 6.759 0.01 . 1 . . . . 40 Y HD1 . 7287 1 475 . 1 1 41 41 TYR HD2 H 1 5.829 0.01 . 1 . . . . 40 Y HD2 . 7287 1 476 . 1 1 41 41 TYR HE1 H 1 6.634 0.01 . 1 . . . . 40 Y HE1 . 7287 1 477 . 1 1 41 41 TYR HE2 H 1 6.165 0.01 . 1 . . . . 40 Y HE2 . 7287 1 478 . 1 1 41 41 TYR C C 13 178.046 0.1 . 1 . . . . 40 Y CO . 7287 1 479 . 1 1 41 41 TYR CA C 13 63.69 0.1 . 1 . . . . 40 Y CA . 7287 1 480 . 1 1 41 41 TYR CB C 13 38.189 0.1 . 1 . . . . 40 Y CB . 7287 1 481 . 1 1 41 41 TYR N N 15 125.771 0.1 . 1 . . . . 40 Y N . 7287 1 482 . 1 1 42 42 SER H H 1 9.848 0.01 . 1 . . . . 41 S HN . 7287 1 483 . 1 1 42 42 SER HA H 1 4.206 0.01 . 1 . . . . 41 S HA . 7287 1 484 . 1 1 42 42 SER HB2 H 1 4.027 0.01 . 1 . . . . 41 S HB2 . 7287 1 485 . 1 1 42 42 SER HB3 H 1 3.896 0.01 . 1 . . . . 41 S HB3 . 7287 1 486 . 1 1 42 42 SER C C 13 175.734 0.1 . 1 . . . . 41 S CO . 7287 1 487 . 1 1 42 42 SER CA C 13 60.333 0.1 . 1 . . . . 41 S CA . 7287 1 488 . 1 1 42 42 SER CB C 13 62.087 0.1 . 1 . . . . 41 S CB . 7287 1 489 . 1 1 42 42 SER N N 15 112.673 0.1 . 1 . . . . 41 S N . 7287 1 490 . 1 1 43 43 MET H H 1 7.43 0.01 . 1 . . . . 42 M HN . 7287 1 491 . 1 1 43 43 MET HA H 1 4.278 0.01 . 1 . . . . 42 M HA . 7287 1 492 . 1 1 43 43 MET HB2 H 1 2.095 0.01 . 1 . . . . 42 M HB2 . 7287 1 493 . 1 1 43 43 MET HB3 H 1 2.095 0.01 . 1 . . . . 42 M HB3 . 7287 1 494 . 1 1 43 43 MET HG2 H 1 2.576 0.01 . 1 . . . . 42 M HG2 . 7287 1 495 . 1 1 43 43 MET HG3 H 1 2.503 0.01 . 1 . . . . 42 M HG3 . 7287 1 496 . 1 1 43 43 MET HE1 H 1 2.096 0.01 . 1 . . . . 42 M HE# . 7287 1 497 . 1 1 43 43 MET HE2 H 1 2.096 0.01 . 1 . . . . 42 M HE# . 7287 1 498 . 1 1 43 43 MET HE3 H 1 2.096 0.01 . 1 . . . . 42 M HE# . 7287 1 499 . 1 1 43 43 MET C C 13 176.563 0.1 . 1 . . . . 42 M CO . 7287 1 500 . 1 1 43 43 MET CA C 13 56.396 0.1 . 1 . . . . 42 M CA . 7287 1 501 . 1 1 43 43 MET CB C 13 32.318 0.1 . 1 . . . . 42 M CB . 7287 1 502 . 1 1 43 43 MET CG C 13 32.172 0.1 . 1 . . . . 42 M CG . 7287 1 503 . 1 1 43 43 MET N N 15 118.796 0.1 . 1 . . . . 42 M N . 7287 1 504 . 1 1 44 44 ILE H H 1 7.374 0.01 . 1 . . . . 43 I HN . 7287 1 505 . 1 1 44 44 ILE HA H 1 4.006 0.01 . 1 . . . . 43 I HA . 7287 1 506 . 1 1 44 44 ILE HB H 1 1.69 0.01 . 1 . . . . 43 I HB . 7287 1 507 . 1 1 44 44 ILE HG12 H 1 1.223 0.01 . 1 . . . . 43 I HG11 . 7287 1 508 . 1 1 44 44 ILE HG13 H 1 1.558 0.01 . 1 . . . . 43 I HG12 . 7287 1 509 . 1 1 44 44 ILE HG21 H 1 0.873 0.01 . 1 . . . . 43 I HG2# . 7287 1 510 . 1 1 44 44 ILE HG22 H 1 0.873 0.01 . 1 . . . . 43 I HG2# . 7287 1 511 . 1 1 44 44 ILE HG23 H 1 0.873 0.01 . 1 . . . . 43 I HG2# . 7287 1 512 . 1 1 44 44 ILE HD11 H 1 1.197 0.01 . 1 . . . . 43 I HD1# . 7287 1 513 . 1 1 44 44 ILE HD12 H 1 1.197 0.01 . 1 . . . . 43 I HD1# . 7287 1 514 . 1 1 44 44 ILE HD13 H 1 1.197 0.01 . 1 . . . . 43 I HD1# . 7287 1 515 . 1 1 44 44 ILE C C 13 175.017 0.1 . 1 . . . . 43 I CO . 7287 1 516 . 1 1 44 44 ILE CA C 13 61.794 0.1 . 1 . . . . 43 I CA . 7287 1 517 . 1 1 44 44 ILE CB C 13 40.342 0.1 . 1 . . . . 43 I CB . 7287 1 518 . 1 1 44 44 ILE CG1 C 13 27.832 0.1 . 1 . . . . 43 I CG1 . 7287 1 519 . 1 1 44 44 ILE CG2 C 13 12.594 0.1 . 1 . . . . 43 I CG2 . 7287 1 520 . 1 1 44 44 ILE CD1 C 13 17.383 0.1 . 1 . . . . 43 I CD1 . 7287 1 521 . 1 1 44 44 ILE N N 15 118.525 0.1 . 1 . . . . 43 I N . 7287 1 522 . 1 1 45 45 ILE H H 1 8.307 0.01 . 1 . . . . 44 I HN . 7287 1 523 . 1 1 45 45 ILE HA H 1 3.91 0.01 . 1 . . . . 44 I HA . 7287 1 524 . 1 1 45 45 ILE HB H 1 1.117 0.01 . 1 . . . . 44 I HB . 7287 1 525 . 1 1 45 45 ILE HG21 H 1 0.436 0.01 . 1 . . . . 44 I HG2# . 7287 1 526 . 1 1 45 45 ILE HG22 H 1 0.436 0.01 . 1 . . . . 44 I HG2# . 7287 1 527 . 1 1 45 45 ILE HG23 H 1 0.436 0.01 . 1 . . . . 44 I HG2# . 7287 1 528 . 1 1 45 45 ILE HD11 H 1 0.618 0.01 . 1 . . . . 44 I HD1# . 7287 1 529 . 1 1 45 45 ILE HD12 H 1 0.618 0.01 . 1 . . . . 44 I HD1# . 7287 1 530 . 1 1 45 45 ILE HD13 H 1 0.618 0.01 . 1 . . . . 44 I HD1# . 7287 1 531 . 1 1 45 45 ILE C C 13 174.036 0.1 . 1 . . . . 44 I CO . 7287 1 532 . 1 1 45 45 ILE CA C 13 56.849 0.1 . 1 . . . . 44 I CA . 7287 1 533 . 1 1 45 45 ILE CB C 13 34.465 0.1 . 1 . . . . 44 I CB . 7287 1 534 . 1 1 45 45 ILE CG2 C 13 16.153 0.1 . 1 . . . . 44 I CG2 . 7287 1 535 . 1 1 45 45 ILE CD1 C 13 9.235 0.1 . 1 . . . . 44 I CD1 . 7287 1 536 . 1 1 45 45 ILE N N 15 122.475 0.1 . 1 . . . . 44 I N . 7287 1 537 . 1 1 46 46 LYS H H 1 7.986 0.01 . 1 . . . . 45 K HN . 7287 1 538 . 1 1 46 46 LYS HA H 1 4.028 0.01 . 1 . . . . 45 K HA . 7287 1 539 . 1 1 46 46 LYS HB2 H 1 1.406 0.01 . 1 . . . . 45 K HB2 . 7287 1 540 . 1 1 46 46 LYS HB3 H 1 1.406 0.01 . 1 . . . . 45 K HB3 . 7287 1 541 . 1 1 46 46 LYS HG2 H 1 1.162 0.01 . 1 . . . . 45 K HG2 . 7287 1 542 . 1 1 46 46 LYS HG3 H 1 1.277 0.01 . 1 . . . . 45 K HG3 . 7287 1 543 . 1 1 46 46 LYS HD2 H 1 1.473 0.01 . 1 . . . . 45 K HD2 . 7287 1 544 . 1 1 46 46 LYS HD3 H 1 1.473 0.01 . 1 . . . . 45 K HD3 . 7287 1 545 . 1 1 46 46 LYS HE2 H 1 2.845 0.01 . 1 . . . . 45 K HE2 . 7287 1 546 . 1 1 46 46 LYS HE3 H 1 2.845 0.01 . 1 . . . . 45 K HE3 . 7287 1 547 . 1 1 46 46 LYS C C 13 176.756 0.1 . 1 . . . . 45 K CO . 7287 1 548 . 1 1 46 46 LYS CA C 13 56.203 0.1 . 1 . . . . 45 K CA . 7287 1 549 . 1 1 46 46 LYS CB C 13 32.484 0.1 . 1 . . . . 45 K CB . 7287 1 550 . 1 1 46 46 LYS CG C 13 24.631 0.1 . 1 . . . . 45 K CG . 7287 1 551 . 1 1 46 46 LYS CD C 13 27.869 0.1 . 1 . . . . 45 K CD . 7287 1 552 . 1 1 46 46 LYS CE C 13 42.202 0.1 . 1 . . . . 45 K CE . 7287 1 553 . 1 1 46 46 LYS N N 15 123.976 0.1 . 1 . . . . 45 K N . 7287 1 554 . 1 1 47 47 HIS H H 1 8.011 0.01 . 1 . . . . 46 H HN . 7287 1 555 . 1 1 47 47 HIS HA H 1 5.103 0.01 . 1 . . . . 46 H HA . 7287 1 556 . 1 1 47 47 HIS HB2 H 1 3.173 0.01 . 1 . . . . 46 H HB2 . 7287 1 557 . 1 1 47 47 HIS HB3 H 1 3.173 0.01 . 1 . . . . 46 H HB3 . 7287 1 558 . 1 1 47 47 HIS HD2 H 1 7.113 0.01 . 1 . . . . 46 H HD2 . 7287 1 559 . 1 1 47 47 HIS C C 13 170.653 0.1 . 1 . . . . 46 H CO . 7287 1 560 . 1 1 47 47 HIS CA C 13 52.002 0.1 . 1 . . . . 46 H CA . 7287 1 561 . 1 1 47 47 HIS CB C 13 29.424 0.1 . 1 . . . . 46 H CB . 7287 1 562 . 1 1 47 47 HIS N N 15 116.054 0.1 . 1 . . . . 46 H N . 7287 1 563 . 1 1 48 48 PRO HA H 1 4.1 0.01 . 1 . . . . 47 P HA . 7287 1 564 . 1 1 48 48 PRO HB2 H 1 2.115 0.01 . 1 . . . . 47 P HB2 . 7287 1 565 . 1 1 48 48 PRO HB3 H 1 2.297 0.01 . 1 . . . . 47 P HB3 . 7287 1 566 . 1 1 48 48 PRO HG2 H 1 1.906 0.01 . 1 . . . . 47 P HG2 . 7287 1 567 . 1 1 48 48 PRO HG3 H 1 2.035 0.01 . 1 . . . . 47 P HG3 . 7287 1 568 . 1 1 48 48 PRO HD2 H 1 3.302 0.01 . 1 . . . . 47 P HD2 . 7287 1 569 . 1 1 48 48 PRO HD3 H 1 3.643 0.01 . 1 . . . . 47 P HD3 . 7287 1 570 . 1 1 48 48 PRO C C 13 175.144 0.1 . 1 . . . . 47 P CO . 7287 1 571 . 1 1 48 48 PRO CA C 13 62.755 0.1 . 1 . . . . 47 P CA . 7287 1 572 . 1 1 48 48 PRO CB C 13 32.554 0.1 . 1 . . . . 47 P CB . 7287 1 573 . 1 1 48 48 PRO CG C 13 26.989 0.1 . 1 . . . . 47 P CG . 7287 1 574 . 1 1 48 48 PRO CD C 13 50.498 0.1 . 1 . . . . 47 P CD . 7287 1 575 . 1 1 49 49 MET H H 1 8.708 0.01 . 1 . . . . 48 M HN . 7287 1 576 . 1 1 49 49 MET HA H 1 4.957 0.01 . 1 . . . . 48 M HA . 7287 1 577 . 1 1 49 49 MET HB2 H 1 2.086 0.01 . 1 . . . . 48 M HB2 . 7287 1 578 . 1 1 49 49 MET HB3 H 1 2.086 0.01 . 1 . . . . 48 M HB3 . 7287 1 579 . 1 1 49 49 MET HG2 H 1 2.954 0.01 . 1 . . . . 48 M HG2 . 7287 1 580 . 1 1 49 49 MET HG3 H 1 2.954 0.01 . 1 . . . . 48 M HG3 . 7287 1 581 . 1 1 49 49 MET HE1 H 1 2.045 0.01 . 1 . . . . 48 M HE# . 7287 1 582 . 1 1 49 49 MET HE2 H 1 2.045 0.01 . 1 . . . . 48 M HE# . 7287 1 583 . 1 1 49 49 MET HE3 H 1 2.045 0.01 . 1 . . . . 48 M HE# . 7287 1 584 . 1 1 49 49 MET C C 13 172.288 0.1 . 1 . . . . 48 M CO . 7287 1 585 . 1 1 49 49 MET CA C 13 53.922 0.1 . 1 . . . . 48 M CA . 7287 1 586 . 1 1 49 49 MET CB C 13 31.388 0.1 . 1 . . . . 48 M CB . 7287 1 587 . 1 1 49 49 MET N N 15 119.21 0.1 . 1 . . . . 48 M N . 7287 1 588 . 1 1 50 50 ASP H H 1 7.314 0.01 . 1 . . . . 49 D HN . 7287 1 589 . 1 1 50 50 ASP HA H 1 4.856 0.01 . 1 . . . . 49 D HA . 7287 1 590 . 1 1 50 50 ASP HB2 H 1 2.463 0.01 . 1 . . . . 49 D HB2 . 7287 1 591 . 1 1 50 50 ASP HB3 H 1 2.436 0.01 . 1 . . . . 49 D HB3 . 7287 1 592 . 1 1 50 50 ASP C C 13 174.918 0.1 . 1 . . . . 49 D CO . 7287 1 593 . 1 1 50 50 ASP CA C 13 53.847 0.1 . 1 . . . . 49 D CA . 7287 1 594 . 1 1 50 50 ASP CB C 13 43.774 0.1 . 1 . . . . 49 D CB . 7287 1 595 . 1 1 50 50 ASP N N 15 119.427 0.1 . 1 . . . . 49 D N . 7287 1 596 . 1 1 51 51 PHE H H 1 8.927 0.01 . 1 . . . . 50 F HN . 7287 1 597 . 1 1 51 51 PHE HA H 1 4.639 0.01 . 1 . . . . 50 F HA . 7287 1 598 . 1 1 51 51 PHE HB2 H 1 3.076 0.01 . 1 . . . . 50 F HB2 . 7287 1 599 . 1 1 51 51 PHE HB3 H 1 3.076 0.01 . 1 . . . . 50 F HB3 . 7287 1 600 . 1 1 51 51 PHE HD1 H 1 7.412 0.01 . 1 . . . . 50 F HD1 . 7287 1 601 . 1 1 51 51 PHE HD2 H 1 7.412 0.01 . 1 . . . . 50 F HD2 . 7287 1 602 . 1 1 51 51 PHE HE1 H 1 7.057 0.01 . 1 . . . . 50 F HE1 . 7287 1 603 . 1 1 51 51 PHE HE2 H 1 7.057 0.01 . 1 . . . . 50 F HE2 . 7287 1 604 . 1 1 51 51 PHE C C 13 177.889 0.1 . 1 . . . . 50 F CO . 7287 1 605 . 1 1 51 51 PHE CA C 13 62.147 0.1 . 1 . . . . 50 F CA . 7287 1 606 . 1 1 51 51 PHE CB C 13 39.369 0.1 . 1 . . . . 50 F CB . 7287 1 607 . 1 1 51 51 PHE N N 15 118.419 0.1 . 1 . . . . 50 F N . 7287 1 608 . 1 1 52 52 SER H H 1 8.703 0.01 . 1 . . . . 51 S HN . 7287 1 609 . 1 1 52 52 SER HA H 1 4.011 0.01 . 1 . . . . 51 S HA . 7287 1 610 . 1 1 52 52 SER HB2 H 1 4.229 0.01 . 1 . . . . 51 S HB2 . 7287 1 611 . 1 1 52 52 SER HB3 H 1 4.229 0.01 . 1 . . . . 51 S HB3 . 7287 1 612 . 1 1 52 52 SER C C 13 177.053 0.1 . 1 . . . . 51 S CO . 7287 1 613 . 1 1 52 52 SER CA C 13 60.978 0.1 . 1 . . . . 51 S CA . 7287 1 614 . 1 1 52 52 SER CB C 13 61.88 0.1 . 1 . . . . 51 S CB . 7287 1 615 . 1 1 52 52 SER N N 15 119.299 0.1 . 1 . . . . 51 S N . 7287 1 616 . 1 1 53 53 THR H H 1 8.148 0.01 . 1 . . . . 52 T HN . 7287 1 617 . 1 1 53 53 THR HA H 1 3.965 0.01 . 1 . . . . 52 T HA . 7287 1 618 . 1 1 53 53 THR HB H 1 4.195 0.01 . 1 . . . . 52 T HB . 7287 1 619 . 1 1 53 53 THR HG21 H 1 1.216 0.01 . 1 . . . . 52 T HG2# . 7287 1 620 . 1 1 53 53 THR HG22 H 1 1.216 0.01 . 1 . . . . 52 T HG2# . 7287 1 621 . 1 1 53 53 THR HG23 H 1 1.216 0.01 . 1 . . . . 52 T HG2# . 7287 1 622 . 1 1 53 53 THR C C 13 176.697 0.1 . 1 . . . . 52 T CO . 7287 1 623 . 1 1 53 53 THR CA C 13 66.981 0.1 . 1 . . . . 52 T CA . 7287 1 624 . 1 1 53 53 THR CB C 13 68.511 0.1 . 1 . . . . 52 T CB . 7287 1 625 . 1 1 53 53 THR CG2 C 13 21.2 0.1 . 1 . . . . 52 T CG2 . 7287 1 626 . 1 1 53 53 THR N N 15 124.268 0.1 . 1 . . . . 52 T N . 7287 1 627 . 1 1 54 54 MET H H 1 7.695 0.01 . 1 . . . . 53 M HN . 7287 1 628 . 1 1 54 54 MET HA H 1 4.303 0.01 . 1 . . . . 53 M HA . 7287 1 629 . 1 1 54 54 MET HB2 H 1 2.429 0.01 . 1 . . . . 53 M HB2 . 7287 1 630 . 1 1 54 54 MET HB3 H 1 2.429 0.01 . 1 . . . . 53 M HB3 . 7287 1 631 . 1 1 54 54 MET HG2 H 1 2.833 0.01 . 1 . . . . 53 M HG2 . 7287 1 632 . 1 1 54 54 MET HG3 H 1 2.833 0.01 . 1 . . . . 53 M HG3 . 7287 1 633 . 1 1 54 54 MET HE1 H 1 2.011 0.01 . 1 . . . . 53 M HE# . 7287 1 634 . 1 1 54 54 MET HE2 H 1 2.011 0.01 . 1 . . . . 53 M HE# . 7287 1 635 . 1 1 54 54 MET HE3 H 1 2.011 0.01 . 1 . . . . 53 M HE# . 7287 1 636 . 1 1 54 54 MET C C 13 178.089 0.1 . 1 . . . . 53 M CO . 7287 1 637 . 1 1 54 54 MET CA C 13 60.276 0.1 . 1 . . . . 53 M CA . 7287 1 638 . 1 1 54 54 MET CB C 13 34.927 0.1 . 1 . . . . 53 M CB . 7287 1 639 . 1 1 54 54 MET CG C 13 33.259 0.1 . 1 . . . . 53 M CG . 7287 1 640 . 1 1 54 54 MET N N 15 121.182 0.1 . 1 . . . . 53 M N . 7287 1 641 . 1 1 55 55 LYS H H 1 8.595 0.01 . 1 . . . . 54 K HN . 7287 1 642 . 1 1 55 55 LYS HA H 1 3.958 0.01 . 1 . . . . 54 K HA . 7287 1 643 . 1 1 55 55 LYS HB2 H 1 1.997 0.01 . 1 . . . . 54 K HB2 . 7287 1 644 . 1 1 55 55 LYS HB3 H 1 1.997 0.01 . 1 . . . . 54 K HB3 . 7287 1 645 . 1 1 55 55 LYS HG2 H 1 1.475 0.01 . 1 . . . . 54 K HG2 . 7287 1 646 . 1 1 55 55 LYS HG3 H 1 1.475 0.01 . 1 . . . . 54 K HG3 . 7287 1 647 . 1 1 55 55 LYS HD2 H 1 1.792 0.01 . 1 . . . . 54 K HD2 . 7287 1 648 . 1 1 55 55 LYS HD3 H 1 1.68 0.01 . 1 . . . . 54 K HD3 . 7287 1 649 . 1 1 55 55 LYS HE2 H 1 2.872 0.01 . 1 . . . . 54 K HE2 . 7287 1 650 . 1 1 55 55 LYS HE3 H 1 2.872 0.01 . 1 . . . . 54 K HE3 . 7287 1 651 . 1 1 55 55 LYS C C 13 179.665 0.1 . 1 . . . . 54 K CO . 7287 1 652 . 1 1 55 55 LYS CA C 13 60.834 0.1 . 1 . . . . 54 K CA . 7287 1 653 . 1 1 55 55 LYS CB C 13 32.186 0.1 . 1 . . . . 54 K CB . 7287 1 654 . 1 1 55 55 LYS CG C 13 26.003 0.1 . 1 . . . . 54 K CG . 7287 1 655 . 1 1 55 55 LYS CD C 13 29.134 0.1 . 1 . . . . 54 K CD . 7287 1 656 . 1 1 55 55 LYS CE C 13 41.79 0.1 . 1 . . . . 54 K CE . 7287 1 657 . 1 1 55 55 LYS N N 15 118.2 0.1 . 1 . . . . 54 K N . 7287 1 658 . 1 1 56 56 GLU H H 1 8.01 0.01 . 1 . . . . 55 E HN . 7287 1 659 . 1 1 56 56 GLU HA H 1 4.048 0.01 . 1 . . . . 55 E HA . 7287 1 660 . 1 1 56 56 GLU HB2 H 1 2.175 0.01 . 1 . . . . 55 E HB2 . 7287 1 661 . 1 1 56 56 GLU HB3 H 1 2.175 0.01 . 1 . . . . 55 E HB3 . 7287 1 662 . 1 1 56 56 GLU HG2 H 1 2.335 0.01 . 1 . . . . 55 E HG2 . 7287 1 663 . 1 1 56 56 GLU HG3 H 1 2.335 0.01 . 1 . . . . 55 E HG3 . 7287 1 664 . 1 1 56 56 GLU C C 13 178.207 0.1 . 1 . . . . 55 E CO . 7287 1 665 . 1 1 56 56 GLU CA C 13 59.311 0.1 . 1 . . . . 55 E CA . 7287 1 666 . 1 1 56 56 GLU CB C 13 29.175 0.1 . 1 . . . . 55 E CB . 7287 1 667 . 1 1 56 56 GLU CG C 13 35.518 0.1 . 1 . . . . 55 E CG . 7287 1 668 . 1 1 56 56 GLU N N 15 121.864 0.1 . 1 . . . . 55 E N . 7287 1 669 . 1 1 57 57 LYS H H 1 8.054 0.01 . 1 . . . . 56 K HN . 7287 1 670 . 1 1 57 57 LYS HA H 1 4.043 0.01 . 1 . . . . 56 K HA . 7287 1 671 . 1 1 57 57 LYS HB2 H 1 0.812 0.01 . 1 . . . . 56 K HB2 . 7287 1 672 . 1 1 57 57 LYS HB3 H 1 0.812 0.01 . 1 . . . . 56 K HB3 . 7287 1 673 . 1 1 57 57 LYS C C 13 179.57 0.1 . 1 . . . . 56 K CO . 7287 1 674 . 1 1 57 57 LYS CA C 13 59.982 0.1 . 1 . . . . 56 K CA . 7287 1 675 . 1 1 57 57 LYS CB C 13 32.253 0.1 . 1 . . . . 56 K CB . 7287 1 676 . 1 1 57 57 LYS CG C 13 25.515 0.1 . 1 . . . . 56 K CG . 7287 1 677 . 1 1 57 57 LYS CD C 13 28.833 0.1 . 1 . . . . 56 K CD . 7287 1 678 . 1 1 57 57 LYS CE C 13 41.809 0.1 . 1 . . . . 56 K CE . 7287 1 679 . 1 1 57 57 LYS N N 15 119.672 0.1 . 1 . . . . 56 K N . 7287 1 680 . 1 1 58 58 ILE H H 1 8.145 0.01 . 1 . . . . 57 I HN . 7287 1 681 . 1 1 58 58 ILE HA H 1 3.967 0.01 . 1 . . . . 57 I HA . 7287 1 682 . 1 1 58 58 ILE HB H 1 1.97 0.01 . 1 . . . . 57 I HB . 7287 1 683 . 1 1 58 58 ILE HG21 H 1 1.003 0.01 . 1 . . . . 57 I HG2# . 7287 1 684 . 1 1 58 58 ILE HG22 H 1 1.003 0.01 . 1 . . . . 57 I HG2# . 7287 1 685 . 1 1 58 58 ILE HG23 H 1 1.003 0.01 . 1 . . . . 57 I HG2# . 7287 1 686 . 1 1 58 58 ILE HD11 H 1 0.839 0.01 . 1 . . . . 57 I HD1# . 7287 1 687 . 1 1 58 58 ILE HD12 H 1 0.839 0.01 . 1 . . . . 57 I HD1# . 7287 1 688 . 1 1 58 58 ILE HD13 H 1 0.839 0.01 . 1 . . . . 57 I HD1# . 7287 1 689 . 1 1 58 58 ILE C C 13 180.093 0.1 . 1 . . . . 57 I CO . 7287 1 690 . 1 1 58 58 ILE CA C 13 66.066 0.1 . 1 . . . . 57 I CA . 7287 1 691 . 1 1 58 58 ILE CB C 13 39.052 0.1 . 1 . . . . 57 I CB . 7287 1 692 . 1 1 58 58 ILE CG1 C 13 28.134 0.1 . 1 . . . . 57 I CG1 . 7287 1 693 . 1 1 58 58 ILE CG2 C 13 18.173 0.1 . 1 . . . . 57 I CG2 . 7287 1 694 . 1 1 58 58 ILE CD1 C 13 15.21 0.1 . 1 . . . . 57 I CD1 . 7287 1 695 . 1 1 58 58 ILE N N 15 119.121 0.1 . 1 . . . . 57 I N . 7287 1 696 . 1 1 59 59 LYS H H 1 7.966 0.01 . 1 . . . . 58 K HN . 7287 1 697 . 1 1 59 59 LYS HA H 1 3.982 0.01 . 1 . . . . 58 K HA . 7287 1 698 . 1 1 59 59 LYS HB2 H 1 1.937 0.01 . 1 . . . . 58 K HB2 . 7287 1 699 . 1 1 59 59 LYS HB3 H 1 1.937 0.01 . 1 . . . . 58 K HB3 . 7287 1 700 . 1 1 59 59 LYS HG2 H 1 1.406 0.01 . 1 . . . . 58 K HG2 . 7287 1 701 . 1 1 59 59 LYS HG3 H 1 1.516 0.01 . 1 . . . . 58 K HG3 . 7287 1 702 . 1 1 59 59 LYS HD2 H 1 1.654 0.01 . 1 . . . . 58 K HD2 . 7287 1 703 . 1 1 59 59 LYS HD3 H 1 1.654 0.01 . 1 . . . . 58 K HD3 . 7287 1 704 . 1 1 59 59 LYS HE2 H 1 2.93 0.01 . 1 . . . . 58 K HE2 . 7287 1 705 . 1 1 59 59 LYS HE3 H 1 2.93 0.01 . 1 . . . . 58 K HE3 . 7287 1 706 . 1 1 59 59 LYS C C 13 177.519 0.1 . 1 . . . . 58 K CO . 7287 1 707 . 1 1 59 59 LYS CA C 13 59.248 0.1 . 1 . . . . 58 K CA . 7287 1 708 . 1 1 59 59 LYS CB C 13 32.165 0.1 . 1 . . . . 58 K CB . 7287 1 709 . 1 1 59 59 LYS CG C 13 24.248 0.1 . 1 . . . . 58 K CG . 7287 1 710 . 1 1 59 59 LYS CD C 13 29.06 0.1 . 1 . . . . 58 K CD . 7287 1 711 . 1 1 59 59 LYS CE C 13 41.983 0.1 . 1 . . . . 58 K CE . 7287 1 712 . 1 1 59 59 LYS N N 15 122.588 0.1 . 1 . . . . 58 K N . 7287 1 713 . 1 1 60 60 ASN H H 1 8.079 0.01 . 1 . . . . 59 N HN . 7287 1 714 . 1 1 60 60 ASN HA H 1 4.619 0.01 . 1 . . . . 59 N HA . 7287 1 715 . 1 1 60 60 ASN HB2 H 1 2.911 0.01 . 1 . . . . 59 N HB2 . 7287 1 716 . 1 1 60 60 ASN HB3 H 1 2.609 0.01 . 1 . . . . 59 N HB3 . 7287 1 717 . 1 1 60 60 ASN HD21 H 1 6.911 0.01 . 1 . . . . 59 N HD21 . 7287 1 718 . 1 1 60 60 ASN HD22 H 1 7.898 0.01 . 1 . . . . 59 N HD22 . 7287 1 719 . 1 1 60 60 ASN C C 13 174.362 0.1 . 1 . . . . 59 N CO . 7287 1 720 . 1 1 60 60 ASN CA C 13 53.023 0.1 . 1 . . . . 59 N CA . 7287 1 721 . 1 1 60 60 ASN CB C 13 38.497 0.1 . 1 . . . . 59 N CB . 7287 1 722 . 1 1 60 60 ASN N N 15 114.99 0.1 . 1 . . . . 59 N N . 7287 1 723 . 1 1 60 60 ASN ND2 N 15 113.992 0.1 . 1 . . . . 59 N ND2 . 7287 1 724 . 1 1 61 61 ASN H H 1 8.065 0.01 . 1 . . . . 60 N HN . 7287 1 725 . 1 1 61 61 ASN HA H 1 4.645 0.01 . 1 . . . . 60 N HA . 7287 1 726 . 1 1 61 61 ASN HB2 H 1 3.256 0.01 . 1 . . . . 60 N HB2 . 7287 1 727 . 1 1 61 61 ASN HB3 H 1 2.644 0.01 . 1 . . . . 60 N HB3 . 7287 1 728 . 1 1 61 61 ASN HD21 H 1 7.529 0.01 . 1 . . . . 60 N HD21 . 7287 1 729 . 1 1 61 61 ASN HD22 H 1 6.565 0.01 . 1 . . . . 60 N HD22 . 7287 1 730 . 1 1 61 61 ASN C C 13 175.153 0.1 . 1 . . . . 60 N CO . 7287 1 731 . 1 1 61 61 ASN CA C 13 53.934 0.1 . 1 . . . . 60 N CA . 7287 1 732 . 1 1 61 61 ASN CB C 13 37.099 0.1 . 1 . . . . 60 N CB . 7287 1 733 . 1 1 61 61 ASN N N 15 116.251 0.1 . 1 . . . . 60 N N . 7287 1 734 . 1 1 61 61 ASN ND2 N 15 110.648 0.1 . 1 . . . . 60 N ND2 . 7287 1 735 . 1 1 62 62 ASP H H 1 8.492 0.01 . 1 . . . . 61 D HN . 7287 1 736 . 1 1 62 62 ASP HA H 1 4.514 0.01 . 1 . . . . 61 D HA . 7287 1 737 . 1 1 62 62 ASP HB2 H 1 2.057 0.01 . 1 . . . . 61 D HB2 . 7287 1 738 . 1 1 62 62 ASP HB3 H 1 2.403 0.01 . 1 . . . . 61 D HB3 . 7287 1 739 . 1 1 62 62 ASP C C 13 177.435 0.1 . 1 . . . . 61 D CO . 7287 1 740 . 1 1 62 62 ASP CA C 13 55.796 0.1 . 1 . . . . 61 D CA . 7287 1 741 . 1 1 62 62 ASP CB C 13 42.103 0.1 . 1 . . . . 61 D CB . 7287 1 742 . 1 1 62 62 ASP N N 15 115.539 0.1 . 1 . . . . 61 D N . 7287 1 743 . 1 1 63 63 TYR H H 1 7.65 0.01 . 1 . . . . 62 Y HN . 7287 1 744 . 1 1 63 63 TYR HA H 1 4.894 0.01 . 1 . . . . 62 Y HA . 7287 1 745 . 1 1 63 63 TYR HB2 H 1 2.824 0.01 . 1 . . . . 62 Y HB2 . 7287 1 746 . 1 1 63 63 TYR HB3 H 1 2.824 0.01 . 1 . . . . 62 Y HB3 . 7287 1 747 . 1 1 63 63 TYR HD1 H 1 7.008 0.01 . 1 . . . . 62 Y HD1 . 7287 1 748 . 1 1 63 63 TYR HD2 H 1 7.015 0.01 . 1 . . . . 62 Y HD2 . 7287 1 749 . 1 1 63 63 TYR HE1 H 1 6.828 0.01 . 1 . . . . 62 Y HE1 . 7287 1 750 . 1 1 63 63 TYR HE2 H 1 6.807 0.01 . 1 . . . . 62 Y HE2 . 7287 1 751 . 1 1 63 63 TYR C C 13 176.679 0.1 . 1 . . . . 62 Y CO . 7287 1 752 . 1 1 63 63 TYR CA C 13 57.358 0.1 . 1 . . . . 62 Y CA . 7287 1 753 . 1 1 63 63 TYR CB C 13 39.5 0.1 . 1 . . . . 62 Y CB . 7287 1 754 . 1 1 63 63 TYR N N 15 116.561 0.1 . 1 . . . . 62 Y N . 7287 1 755 . 1 1 64 64 GLN H H 1 9.585 0.01 . 1 . . . . 63 Q HN . 7287 1 756 . 1 1 64 64 GLN HA H 1 4.288 0.01 . 1 . . . . 63 Q HA . 7287 1 757 . 1 1 64 64 GLN HB2 H 1 2.014 0.01 . 1 . . . . 63 Q HB2 . 7287 1 758 . 1 1 64 64 GLN HB3 H 1 2.261 0.01 . 1 . . . . 63 Q HB3 . 7287 1 759 . 1 1 64 64 GLN HG2 H 1 2.368 0.01 . 1 . . . . 63 Q HG2 . 7287 1 760 . 1 1 64 64 GLN HG3 H 1 2.454 0.01 . 1 . . . . 63 Q HG3 . 7287 1 761 . 1 1 64 64 GLN HE21 H 1 7.51 0.01 . 1 . . . . 63 Q HE21 . 7287 1 762 . 1 1 64 64 GLN HE22 H 1 6.76 0.01 . 1 . . . . 63 Q HE22 . 7287 1 763 . 1 1 64 64 GLN C C 13 175.66 0.1 . 1 . . . . 63 Q CO . 7287 1 764 . 1 1 64 64 GLN CA C 13 55.377 0.1 . 1 . . . . 63 Q CA . 7287 1 765 . 1 1 64 64 GLN CB C 13 29.835 0.1 . 1 . . . . 63 Q CB . 7287 1 766 . 1 1 64 64 GLN CG C 13 34.165 0.1 . 1 . . . . 63 Q CG . 7287 1 767 . 1 1 64 64 GLN N N 15 119.369 0.1 . 1 . . . . 63 Q N . 7287 1 768 . 1 1 64 64 GLN NE2 N 15 113.204 0.1 . 1 . . . . 63 Q NE2 . 7287 1 769 . 1 1 65 65 SER H H 1 7.535 0.01 . 1 . . . . 64 S HN . 7287 1 770 . 1 1 65 65 SER HA H 1 4.595 0.01 . 1 . . . . 64 S HA . 7287 1 771 . 1 1 65 65 SER HB2 H 1 4.185 0.01 . 1 . . . . 64 S HB2 . 7287 1 772 . 1 1 65 65 SER HB3 H 1 3.929 0.01 . 1 . . . . 64 S HB3 . 7287 1 773 . 1 1 65 65 SER C C 13 173.794 0.1 . 1 . . . . 64 S CO . 7287 1 774 . 1 1 65 65 SER CA C 13 56.593 0.1 . 1 . . . . 64 S CA . 7287 1 775 . 1 1 65 65 SER CB C 13 65.727 0.1 . 1 . . . . 64 S CB . 7287 1 776 . 1 1 65 65 SER N N 15 109.85 0.1 . 1 . . . . 64 S N . 7287 1 777 . 1 1 66 66 ILE H H 1 8.938 0.01 . 1 . . . . 65 I HN . 7287 1 778 . 1 1 66 66 ILE HA H 1 3.563 0.01 . 1 . . . . 65 I HA . 7287 1 779 . 1 1 66 66 ILE HB H 1 1.726 0.01 . 1 . . . . 65 I HB . 7287 1 780 . 1 1 66 66 ILE HG12 H 1 1.493 0.01 . 1 . . . . 65 I HG11 . 7287 1 781 . 1 1 66 66 ILE HG13 H 1 1.493 0.01 . 1 . . . . 65 I HG12 . 7287 1 782 . 1 1 66 66 ILE HG21 H 1 0.763 0.01 . 1 . . . . 65 I HG2# . 7287 1 783 . 1 1 66 66 ILE HG22 H 1 0.763 0.01 . 1 . . . . 65 I HG2# . 7287 1 784 . 1 1 66 66 ILE HG23 H 1 0.763 0.01 . 1 . . . . 65 I HG2# . 7287 1 785 . 1 1 66 66 ILE HD11 H 1 0.928 0.01 . 1 . . . . 65 I HD1# . 7287 1 786 . 1 1 66 66 ILE HD12 H 1 0.928 0.01 . 1 . . . . 65 I HD1# . 7287 1 787 . 1 1 66 66 ILE HD13 H 1 0.928 0.01 . 1 . . . . 65 I HD1# . 7287 1 788 . 1 1 66 66 ILE C C 13 177.29 0.1 . 1 . . . . 65 I CO . 7287 1 789 . 1 1 66 66 ILE CA C 13 64.11 0.1 . 1 . . . . 65 I CA . 7287 1 790 . 1 1 66 66 ILE CB C 13 37.675 0.1 . 1 . . . . 65 I CB . 7287 1 791 . 1 1 66 66 ILE CG1 C 13 28.834 0.1 . 1 . . . . 65 I CG1 . 7287 1 792 . 1 1 66 66 ILE CG2 C 13 13.234 0.1 . 1 . . . . 65 I CG2 . 7287 1 793 . 1 1 66 66 ILE CD1 C 13 17.386 0.1 . 1 . . . . 65 I CD1 . 7287 1 794 . 1 1 66 66 ILE N N 15 120.878 0.1 . 1 . . . . 65 I N . 7287 1 795 . 1 1 67 67 GLU H H 1 8.271 0.01 . 1 . . . . 66 E HN . 7287 1 796 . 1 1 67 67 GLU HA H 1 3.772 0.01 . 1 . . . . 66 E HA . 7287 1 797 . 1 1 67 67 GLU HB2 H 1 1.995 0.01 . 1 . . . . 66 E HB2 . 7287 1 798 . 1 1 67 67 GLU HB3 H 1 1.995 0.01 . 1 . . . . 66 E HB3 . 7287 1 799 . 1 1 67 67 GLU HG2 H 1 2.314 0.01 . 1 . . . . 66 E HG2 . 7287 1 800 . 1 1 67 67 GLU HG3 H 1 2.255 0.01 . 1 . . . . 66 E HG3 . 7287 1 801 . 1 1 67 67 GLU C C 13 177.92 0.1 . 1 . . . . 66 E CO . 7287 1 802 . 1 1 67 67 GLU CA C 13 59.907 0.1 . 1 . . . . 66 E CA . 7287 1 803 . 1 1 67 67 GLU CB C 13 28.738 0.1 . 1 . . . . 66 E CB . 7287 1 804 . 1 1 67 67 GLU CG C 13 36.243 0.1 . 1 . . . . 66 E CG . 7287 1 805 . 1 1 67 67 GLU N N 15 120.641 0.1 . 1 . . . . 66 E N . 7287 1 806 . 1 1 68 68 GLU H H 1 7.444 0.01 . 1 . . . . 67 E HN . 7287 1 807 . 1 1 68 68 GLU HA H 1 4.121 0.01 . 1 . . . . 67 E HA . 7287 1 808 . 1 1 68 68 GLU HB2 H 1 2.284 0.01 . 1 . . . . 67 E HB2 . 7287 1 809 . 1 1 68 68 GLU HB3 H 1 2.284 0.01 . 1 . . . . 67 E HB3 . 7287 1 810 . 1 1 68 68 GLU HG2 H 1 2.449 0.01 . 1 . . . . 67 E HG2 . 7287 1 811 . 1 1 68 68 GLU HG3 H 1 2.357 0.01 . 1 . . . . 67 E HG3 . 7287 1 812 . 1 1 68 68 GLU C C 13 179.236 0.1 . 1 . . . . 67 E CO . 7287 1 813 . 1 1 68 68 GLU CA C 13 59.323 0.1 . 1 . . . . 67 E CA . 7287 1 814 . 1 1 68 68 GLU CB C 13 30.991 0.1 . 1 . . . . 67 E CB . 7287 1 815 . 1 1 68 68 GLU CG C 13 36.886 0.1 . 1 . . . . 67 E CG . 7287 1 816 . 1 1 68 68 GLU N N 15 117.614 0.1 . 1 . . . . 67 E N . 7287 1 817 . 1 1 69 69 LEU H H 1 6.615 0.01 . 1 . . . . 68 L HN . 7287 1 818 . 1 1 69 69 LEU HA H 1 3.599 0.01 . 1 . . . . 68 L HA . 7287 1 819 . 1 1 69 69 LEU HB2 H 1 1.625 0.01 . 1 . . . . 68 L HB2 . 7287 1 820 . 1 1 69 69 LEU HB3 H 1 1.625 0.01 . 1 . . . . 68 L HB3 . 7287 1 821 . 1 1 69 69 LEU HG H 1 1.382 0.01 . 1 . . . . 68 L HG . 7287 1 822 . 1 1 69 69 LEU HD11 H 1 0.775 0.01 . 1 . . . . 68 L HD1# . 7287 1 823 . 1 1 69 69 LEU HD12 H 1 0.775 0.01 . 1 . . . . 68 L HD1# . 7287 1 824 . 1 1 69 69 LEU HD13 H 1 0.775 0.01 . 1 . . . . 68 L HD1# . 7287 1 825 . 1 1 69 69 LEU HD21 H 1 0.594 0.01 . 1 . . . . 68 L HD2# . 7287 1 826 . 1 1 69 69 LEU HD22 H 1 0.594 0.01 . 1 . . . . 68 L HD2# . 7287 1 827 . 1 1 69 69 LEU HD23 H 1 0.594 0.01 . 1 . . . . 68 L HD2# . 7287 1 828 . 1 1 69 69 LEU C C 13 178.424 0.1 . 1 . . . . 68 L CO . 7287 1 829 . 1 1 69 69 LEU CA C 13 58.888 0.1 . 1 . . . . 68 L CA . 7287 1 830 . 1 1 69 69 LEU CB C 13 40.723 0.1 . 1 . . . . 68 L CB . 7287 1 831 . 1 1 69 69 LEU CG C 13 27.222 0.1 . 1 . . . . 68 L CG . 7287 1 832 . 1 1 69 69 LEU CD1 C 13 16.958 0.1 . 1 . . . . 68 L CD1 . 7287 1 833 . 1 1 69 69 LEU N N 15 121.799 0.1 . 1 . . . . 68 L N . 7287 1 834 . 1 1 70 70 LYS H H 1 8.427 0.01 . 1 . . . . 69 K HN . 7287 1 835 . 1 1 70 70 LYS HA H 1 4.336 0.01 . 1 . . . . 69 K HA . 7287 1 836 . 1 1 70 70 LYS HB2 H 1 2.093 0.01 . 1 . . . . 69 K HB2 . 7287 1 837 . 1 1 70 70 LYS HB3 H 1 1.726 0.01 . 1 . . . . 69 K HB3 . 7287 1 838 . 1 1 70 70 LYS HG2 H 1 1.416 0.01 . 1 . . . . 69 K HG2 . 7287 1 839 . 1 1 70 70 LYS HG3 H 1 1.372 0.01 . 1 . . . . 69 K HG3 . 7287 1 840 . 1 1 70 70 LYS HD2 H 1 1.989 0.01 . 1 . . . . 69 K HD2 . 7287 1 841 . 1 1 70 70 LYS HD3 H 1 1.989 0.01 . 1 . . . . 69 K HD3 . 7287 1 842 . 1 1 70 70 LYS HE2 H 1 2.806 0.01 . 1 . . . . 69 K HE2 . 7287 1 843 . 1 1 70 70 LYS HE3 H 1 2.827 0.01 . 1 . . . . 69 K HE3 . 7287 1 844 . 1 1 70 70 LYS C C 13 177.804 0.1 . 1 . . . . 69 K CO . 7287 1 845 . 1 1 70 70 LYS CA C 13 60.237 0.1 . 1 . . . . 69 K CA . 7287 1 846 . 1 1 70 70 LYS CB C 13 31.686 0.1 . 1 . . . . 69 K CB . 7287 1 847 . 1 1 70 70 LYS CG C 13 24.61 0.1 . 1 . . . . 69 K CG . 7287 1 848 . 1 1 70 70 LYS CD C 13 29.377 0.1 . 1 . . . . 69 K CD . 7287 1 849 . 1 1 70 70 LYS CE C 13 41.871 0.1 . 1 . . . . 69 K CE . 7287 1 850 . 1 1 70 70 LYS N N 15 120.51 0.1 . 1 . . . . 69 K N . 7287 1 851 . 1 1 71 71 ASP H H 1 8.357 0.01 . 1 . . . . 70 D HN . 7287 1 852 . 1 1 71 71 ASP HA H 1 4.401 0.01 . 1 . . . . 70 D HA . 7287 1 853 . 1 1 71 71 ASP HB2 H 1 2.732 0.01 . 1 . . . . 70 D HB2 . 7287 1 854 . 1 1 71 71 ASP HB3 H 1 2.732 0.01 . 1 . . . . 70 D HB3 . 7287 1 855 . 1 1 71 71 ASP C C 13 179.652 0.1 . 1 . . . . 70 D CO . 7287 1 856 . 1 1 71 71 ASP CA C 13 57.92 0.1 . 1 . . . . 70 D CA . 7287 1 857 . 1 1 71 71 ASP CB C 13 40.191 0.1 . 1 . . . . 70 D CB . 7287 1 858 . 1 1 71 71 ASP N N 15 118.984 0.1 . 1 . . . . 70 D N . 7287 1 859 . 1 1 72 72 ASN H H 1 7.874 0.01 . 1 . . . . 71 N HN . 7287 1 860 . 1 1 72 72 ASN HA H 1 4.411 0.01 . 1 . . . . 71 N HA . 7287 1 861 . 1 1 72 72 ASN HB2 H 1 2.99 0.01 . 1 . . . . 71 N HB2 . 7287 1 862 . 1 1 72 72 ASN HB3 H 1 3.161 0.01 . 1 . . . . 71 N HB3 . 7287 1 863 . 1 1 72 72 ASN HD21 H 1 7.874 0.01 . 1 . . . . 71 N HD21 . 7287 1 864 . 1 1 72 72 ASN HD22 H 1 8.024 0.01 . 1 . . . . 71 N HD22 . 7287 1 865 . 1 1 72 72 ASN C C 13 175.399 0.1 . 1 . . . . 71 N CO . 7287 1 866 . 1 1 72 72 ASN CA C 13 56.368 0.1 . 1 . . . . 71 N CA . 7287 1 867 . 1 1 72 72 ASN CB C 13 38.558 0.1 . 1 . . . . 71 N CB . 7287 1 868 . 1 1 72 72 ASN N N 15 119.217 0.1 . 1 . . . . 71 N N . 7287 1 869 . 1 1 72 72 ASN ND2 N 15 113.371 0.1 . 1 . . . . 71 N ND2 . 7287 1 870 . 1 1 73 73 PHE H H 1 9.003 0.01 . 1 . . . . 72 F HN . 7287 1 871 . 1 1 73 73 PHE HA H 1 3.873 0.01 . 1 . . . . 72 F HA . 7287 1 872 . 1 1 73 73 PHE HB2 H 1 2.856 0.01 . 1 . . . . 72 F HB2 . 7287 1 873 . 1 1 73 73 PHE HB3 H 1 2.856 0.01 . 1 . . . . 72 F HB3 . 7287 1 874 . 1 1 73 73 PHE HD1 H 1 6.859 0.01 . 1 . . . . 72 F HD1 . 7287 1 875 . 1 1 73 73 PHE HD2 H 1 6.859 0.01 . 1 . . . . 72 F HD2 . 7287 1 876 . 1 1 73 73 PHE HE1 H 1 7.095 0.01 . 1 . . . . 72 F HE1 . 7287 1 877 . 1 1 73 73 PHE HE2 H 1 7.095 0.01 . 1 . . . . 72 F HE2 . 7287 1 878 . 1 1 73 73 PHE HZ H 1 7.404 0.01 . 1 . . . . 72 F HZ . 7287 1 879 . 1 1 73 73 PHE C C 13 176.279 0.1 . 1 . . . . 72 F CO . 7287 1 880 . 1 1 73 73 PHE CA C 13 61.835 0.1 . 1 . . . . 72 F CA . 7287 1 881 . 1 1 73 73 PHE CB C 13 39.154 0.1 . 1 . . . . 72 F CB . 7287 1 882 . 1 1 73 73 PHE N N 15 122.671 0.1 . 1 . . . . 72 F N . 7287 1 883 . 1 1 74 74 LYS H H 1 8.66 0.01 . 1 . . . . 73 K HN . 7287 1 884 . 1 1 74 74 LYS HA H 1 3.393 0.01 . 1 . . . . 73 K HA . 7287 1 885 . 1 1 74 74 LYS HB2 H 1 1.828 0.01 . 1 . . . . 73 K HB2 . 7287 1 886 . 1 1 74 74 LYS HB3 H 1 1.901 0.01 . 1 . . . . 73 K HB3 . 7287 1 887 . 1 1 74 74 LYS HG2 H 1 1.513 0.01 . 1 . . . . 73 K HG2 . 7287 1 888 . 1 1 74 74 LYS HG3 H 1 1.317 0.01 . 1 . . . . 73 K HG3 . 7287 1 889 . 1 1 74 74 LYS HD2 H 1 1.695 0.01 . 1 . . . . 73 K HD2 . 7287 1 890 . 1 1 74 74 LYS HD3 H 1 1.695 0.01 . 1 . . . . 73 K HD3 . 7287 1 891 . 1 1 74 74 LYS HE2 H 1 2.894 0.01 . 1 . . . . 73 K HE2 . 7287 1 892 . 1 1 74 74 LYS HE3 H 1 2.894 0.01 . 1 . . . . 73 K HE3 . 7287 1 893 . 1 1 74 74 LYS C C 13 178.919 0.1 . 1 . . . . 73 K CO . 7287 1 894 . 1 1 74 74 LYS CA C 13 60.395 0.1 . 1 . . . . 73 K CA . 7287 1 895 . 1 1 74 74 LYS CB C 13 32.087 0.1 . 1 . . . . 73 K CB . 7287 1 896 . 1 1 74 74 LYS CG C 13 25.416 0.1 . 1 . . . . 73 K CG . 7287 1 897 . 1 1 74 74 LYS CD C 13 29.628 0.1 . 1 . . . . 73 K CD . 7287 1 898 . 1 1 74 74 LYS CE C 13 41.766 0.1 . 1 . . . . 73 K CE . 7287 1 899 . 1 1 74 74 LYS N N 15 120.383 0.1 . 1 . . . . 73 K N . 7287 1 900 . 1 1 75 75 LEU H H 1 7.856 0.01 . 1 . . . . 74 L HN . 7287 1 901 . 1 1 75 75 LEU HA H 1 3.987 0.01 . 1 . . . . 74 L HA . 7287 1 902 . 1 1 75 75 LEU HB2 H 1 2.068 0.01 . 1 . . . . 74 L HB2 . 7287 1 903 . 1 1 75 75 LEU HB3 H 1 1.593 0.01 . 1 . . . . 74 L HB3 . 7287 1 904 . 1 1 75 75 LEU HG H 1 1.419 0.01 . 1 . . . . 74 L HG . 7287 1 905 . 1 1 75 75 LEU HD11 H 1 0.976 0.01 . 1 . . . . 74 L HD1# . 7287 1 906 . 1 1 75 75 LEU HD12 H 1 0.976 0.01 . 1 . . . . 74 L HD1# . 7287 1 907 . 1 1 75 75 LEU HD13 H 1 0.976 0.01 . 1 . . . . 74 L HD1# . 7287 1 908 . 1 1 75 75 LEU HD21 H 1 0.827 0.01 . 1 . . . . 74 L HD2# . 7287 1 909 . 1 1 75 75 LEU HD22 H 1 0.827 0.01 . 1 . . . . 74 L HD2# . 7287 1 910 . 1 1 75 75 LEU HD23 H 1 0.827 0.01 . 1 . . . . 74 L HD2# . 7287 1 911 . 1 1 75 75 LEU C C 13 176.786 0.1 . 1 . . . . 74 L CO . 7287 1 912 . 1 1 75 75 LEU CA C 13 57.929 0.1 . 1 . . . . 74 L CA . 7287 1 913 . 1 1 75 75 LEU CB C 13 42.415 0.1 . 1 . . . . 74 L CB . 7287 1 914 . 1 1 75 75 LEU CD1 C 13 22.71 0.1 . 1 . . . . 74 L CD1 . 7287 1 915 . 1 1 75 75 LEU CD2 C 13 25.837 0.1 . 1 . . . . 74 L CD2 . 7287 1 916 . 1 1 75 75 LEU N N 15 122.759 0.1 . 1 . . . . 74 L N . 7287 1 917 . 1 1 76 76 MET H H 1 7.747 0.01 . 1 . . . . 75 M HN . 7287 1 918 . 1 1 76 76 MET HA H 1 3.639 0.01 . 1 . . . . 75 M HA . 7287 1 919 . 1 1 76 76 MET HB2 H 1 1.612 0.01 . 1 . . . . 75 M HB2 . 7287 1 920 . 1 1 76 76 MET HB3 H 1 1.612 0.01 . 1 . . . . 75 M HB3 . 7287 1 921 . 1 1 76 76 MET HG2 H 1 2.455 0.01 . 1 . . . . 75 M HG2 . 7287 1 922 . 1 1 76 76 MET HG3 H 1 2.455 0.01 . 1 . . . . 75 M HG3 . 7287 1 923 . 1 1 76 76 MET HE1 H 1 0.919 0.01 . 1 . . . . 75 M HE# . 7287 1 924 . 1 1 76 76 MET HE2 H 1 0.919 0.01 . 1 . . . . 75 M HE# . 7287 1 925 . 1 1 76 76 MET HE3 H 1 0.919 0.01 . 1 . . . . 75 M HE# . 7287 1 926 . 1 1 76 76 MET C C 13 179.029 0.1 . 1 . . . . 75 M CO . 7287 1 927 . 1 1 76 76 MET CA C 13 59.689 0.1 . 1 . . . . 75 M CA . 7287 1 928 . 1 1 76 76 MET CB C 13 34.027 0.1 . 1 . . . . 75 M CB . 7287 1 929 . 1 1 76 76 MET CG C 13 30.414 0.1 . 1 . . . . 75 M CG . 7287 1 930 . 1 1 76 76 MET N N 15 116.871 0.1 . 1 . . . . 75 M N . 7287 1 931 . 1 1 77 77 CYS H H 1 7.218 0.01 . 1 . . . . 76 C HN . 7287 1 932 . 1 1 77 77 CYS HA H 1 3.543 0.01 . 1 . . . . 76 C HA . 7287 1 933 . 1 1 77 77 CYS HB2 H 1 2.194 0.01 . 1 . . . . 76 C HB2 . 7287 1 934 . 1 1 77 77 CYS HB3 H 1 2.529 0.01 . 1 . . . . 76 C HB3 . 7287 1 935 . 1 1 77 77 CYS C C 13 176.213 0.1 . 1 . . . . 76 C CO . 7287 1 936 . 1 1 77 77 CYS CA C 13 63.668 0.1 . 1 . . . . 76 C CA . 7287 1 937 . 1 1 77 77 CYS CB C 13 28.361 0.1 . 1 . . . . 76 C CB . 7287 1 938 . 1 1 77 77 CYS N N 15 116.135 0.1 . 1 . . . . 76 C N . 7287 1 939 . 1 1 78 78 THR H H 1 8.672 0.01 . 1 . . . . 77 T HN . 7287 1 940 . 1 1 78 78 THR HA H 1 3.712 0.01 . 1 . . . . 77 T HA . 7287 1 941 . 1 1 78 78 THR HB H 1 4.177 0.01 . 1 . . . . 77 T HB . 7287 1 942 . 1 1 78 78 THR HG21 H 1 1.175 0.01 . 1 . . . . 77 T HG2# . 7287 1 943 . 1 1 78 78 THR HG22 H 1 1.175 0.01 . 1 . . . . 77 T HG2# . 7287 1 944 . 1 1 78 78 THR HG23 H 1 1.175 0.01 . 1 . . . . 77 T HG2# . 7287 1 945 . 1 1 78 78 THR C C 13 177.103 0.1 . 1 . . . . 77 T CO . 7287 1 946 . 1 1 78 78 THR CA C 13 66.734 0.1 . 1 . . . . 77 T CA . 7287 1 947 . 1 1 78 78 THR CB C 13 68.446 0.1 . 1 . . . . 77 T CB . 7287 1 948 . 1 1 78 78 THR CG2 C 13 20.854 0.1 . 1 . . . . 77 T CG2 . 7287 1 949 . 1 1 78 78 THR N N 15 115.824 0.1 . 1 . . . . 77 T N . 7287 1 950 . 1 1 79 79 ASN H H 1 8.807 0.01 . 1 . . . . 78 N HN . 7287 1 951 . 1 1 79 79 ASN HA H 1 4.327 0.01 . 1 . . . . 78 N HA . 7287 1 952 . 1 1 79 79 ASN HB2 H 1 2.955 0.01 . 1 . . . . 78 N HB2 . 7287 1 953 . 1 1 79 79 ASN HB3 H 1 2.585 0.01 . 1 . . . . 78 N HB3 . 7287 1 954 . 1 1 79 79 ASN HD21 H 1 7.151 0.01 . 1 . . . . 78 N HD21 . 7287 1 955 . 1 1 79 79 ASN HD22 H 1 7.299 0.01 . 1 . . . . 78 N HD22 . 7287 1 956 . 1 1 79 79 ASN C C 13 177.499 0.1 . 1 . . . . 78 N CO . 7287 1 957 . 1 1 79 79 ASN CA C 13 55.256 0.1 . 1 . . . . 78 N CA . 7287 1 958 . 1 1 79 79 ASN CB C 13 38.2 0.1 . 1 . . . . 78 N CB . 7287 1 959 . 1 1 79 79 ASN N N 15 120.486 0.1 . 1 . . . . 78 N N . 7287 1 960 . 1 1 79 79 ASN ND2 N 15 112.09 0.1 . 1 . . . . 78 N ND2 . 7287 1 961 . 1 1 80 80 ALA H H 1 6.929 0.01 . 1 . . . . 79 A HN . 7287 1 962 . 1 1 80 80 ALA HA H 1 4.463 0.01 . 1 . . . . 79 A HA . 7287 1 963 . 1 1 80 80 ALA HB1 H 1 1.546 0.01 . 1 . . . . 79 A HB# . 7287 1 964 . 1 1 80 80 ALA HB2 H 1 1.546 0.01 . 1 . . . . 79 A HB# . 7287 1 965 . 1 1 80 80 ALA HB3 H 1 1.546 0.01 . 1 . . . . 79 A HB# . 7287 1 966 . 1 1 80 80 ALA C C 13 180.485 0.1 . 1 . . . . 79 A CO . 7287 1 967 . 1 1 80 80 ALA CA C 13 54.652 0.1 . 1 . . . . 79 A CA . 7287 1 968 . 1 1 80 80 ALA CB C 13 19.405 0.1 . 1 . . . . 79 A CB . 7287 1 969 . 1 1 80 80 ALA N N 15 119.404 0.1 . 1 . . . . 79 A N . 7287 1 970 . 1 1 81 81 MET H H 1 7.508 0.01 . 1 . . . . 80 M HN . 7287 1 971 . 1 1 81 81 MET HA H 1 4.318 0.01 . 1 . . . . 80 M HA . 7287 1 972 . 1 1 81 81 MET HB2 H 1 2.328 0.01 . 1 . . . . 80 M HB2 . 7287 1 973 . 1 1 81 81 MET HB3 H 1 1.945 0.01 . 1 . . . . 80 M HB3 . 7287 1 974 . 1 1 81 81 MET HG2 H 1 1.308 0.01 . 1 . . . . 80 M HG2 . 7287 1 975 . 1 1 81 81 MET HG3 H 1 1.308 0.01 . 1 . . . . 80 M HG3 . 7287 1 976 . 1 1 81 81 MET HE1 H 1 1.746 0.01 . 1 . . . . 80 M HE# . 7287 1 977 . 1 1 81 81 MET HE2 H 1 1.746 0.01 . 1 . . . . 80 M HE# . 7287 1 978 . 1 1 81 81 MET HE3 H 1 1.746 0.01 . 1 . . . . 80 M HE# . 7287 1 979 . 1 1 81 81 MET C C 13 175.604 0.1 . 1 . . . . 80 M CO . 7287 1 980 . 1 1 81 81 MET CA C 13 57.6 0.1 . 1 . . . . 80 M CA . 7287 1 981 . 1 1 81 81 MET CB C 13 33.882 0.1 . 1 . . . . 80 M CB . 7287 1 982 . 1 1 81 81 MET CG C 13 32.343 0.1 . 1 . . . . 80 M CG . 7287 1 983 . 1 1 81 81 MET N N 15 117.014 0.1 . 1 . . . . 80 M N . 7287 1 984 . 1 1 82 82 ILE H H 1 7.823 0.01 . 1 . . . . 81 I HN . 7287 1 985 . 1 1 82 82 ILE HA H 1 4.082 0.01 . 1 . . . . 81 I HA . 7287 1 986 . 1 1 82 82 ILE HB H 1 1.882 0.01 . 1 . . . . 81 I HB . 7287 1 987 . 1 1 82 82 ILE HG12 H 1 1.093 0.01 . 1 . . . . 81 I HG11 . 7287 1 988 . 1 1 82 82 ILE HG13 H 1 1.093 0.01 . 1 . . . . 81 I HG12 . 7287 1 989 . 1 1 82 82 ILE HG21 H 1 0.803 0.01 . 1 . . . . 81 I HG2# . 7287 1 990 . 1 1 82 82 ILE HG22 H 1 0.803 0.01 . 1 . . . . 81 I HG2# . 7287 1 991 . 1 1 82 82 ILE HG23 H 1 0.803 0.01 . 1 . . . . 81 I HG2# . 7287 1 992 . 1 1 82 82 ILE HD11 H 1 0.764 0.01 . 1 . . . . 81 I HD1# . 7287 1 993 . 1 1 82 82 ILE HD12 H 1 0.764 0.01 . 1 . . . . 81 I HD1# . 7287 1 994 . 1 1 82 82 ILE HD13 H 1 0.764 0.01 . 1 . . . . 81 I HD1# . 7287 1 995 . 1 1 82 82 ILE C C 13 177.923 0.1 . 1 . . . . 81 I CO . 7287 1 996 . 1 1 82 82 ILE CA C 13 63.271 0.1 . 1 . . . . 81 I CA . 7287 1 997 . 1 1 82 82 ILE CB C 13 38.653 0.1 . 1 . . . . 81 I CB . 7287 1 998 . 1 1 82 82 ILE CG1 C 13 32.509 0.1 . 1 . . . . 81 I CG1 . 7287 1 999 . 1 1 82 82 ILE CG2 C 13 13.38 0.1 . 1 . . . . 81 I CG2 . 7287 1 1000 . 1 1 82 82 ILE CD1 C 13 17.302 0.1 . 1 . . . . 81 I CD1 . 7287 1 1001 . 1 1 82 82 ILE N N 15 119.815 0.1 . 1 . . . . 81 I N . 7287 1 1002 . 1 1 83 83 TYR H H 1 8.143 0.01 . 1 . . . . 82 Y HN . 7287 1 1003 . 1 1 83 83 TYR HA H 1 4.026 0.01 . 1 . . . . 82 Y HA . 7287 1 1004 . 1 1 83 83 TYR HB2 H 1 2.84 0.01 . 1 . . . . 82 Y HB2 . 7287 1 1005 . 1 1 83 83 TYR HB3 H 1 2.765 0.01 . 1 . . . . 82 Y HB3 . 7287 1 1006 . 1 1 83 83 TYR HD1 H 1 6.774 0.01 . 1 . . . . 82 Y HD1 . 7287 1 1007 . 1 1 83 83 TYR HD2 H 1 6.847 0.01 . 1 . . . . 82 Y HD2 . 7287 1 1008 . 1 1 83 83 TYR HE1 H 1 6.148 0.01 . 1 . . . . 82 Y HE1 . 7287 1 1009 . 1 1 83 83 TYR HE2 H 1 6.148 0.01 . 1 . . . . 82 Y HE2 . 7287 1 1010 . 1 1 83 83 TYR C C 13 175.281 0.1 . 1 . . . . 82 Y CO . 7287 1 1011 . 1 1 83 83 TYR CA C 13 61.801 0.1 . 1 . . . . 82 Y CA . 7287 1 1012 . 1 1 83 83 TYR CB C 13 40.269 0.1 . 1 . . . . 82 Y CB . 7287 1 1013 . 1 1 83 83 TYR N N 15 116.954 0.1 . 1 . . . . 82 Y N . 7287 1 1014 . 1 1 84 84 ASN H H 1 7.335 0.01 . 1 . . . . 83 N HN . 7287 1 1015 . 1 1 84 84 ASN HA H 1 4.598 0.01 . 1 . . . . 83 N HA . 7287 1 1016 . 1 1 84 84 ASN HB2 H 1 2.933 0.01 . 1 . . . . 83 N HB2 . 7287 1 1017 . 1 1 84 84 ASN HB3 H 1 3.125 0.01 . 1 . . . . 83 N HB3 . 7287 1 1018 . 1 1 84 84 ASN C C 13 174.077 0.1 . 1 . . . . 83 N CO . 7287 1 1019 . 1 1 84 84 ASN CA C 13 52.511 0.1 . 1 . . . . 83 N CA . 7287 1 1020 . 1 1 84 84 ASN CB C 13 40.918 0.1 . 1 . . . . 83 N CB . 7287 1 1021 . 1 1 84 84 ASN N N 15 113.157 0.1 . 1 . . . . 83 N N . 7287 1 1022 . 1 1 85 85 LYS H H 1 8.669 0.01 . 1 . . . . 84 K HN . 7287 1 1023 . 1 1 85 85 LYS HA H 1 4.323 0.01 . 1 . . . . 84 K HA . 7287 1 1024 . 1 1 85 85 LYS HB2 H 1 1.644 0.01 . 1 . . . . 84 K HB2 . 7287 1 1025 . 1 1 85 85 LYS HB3 H 1 1.644 0.01 . 1 . . . . 84 K HB3 . 7287 1 1026 . 1 1 85 85 LYS HG2 H 1 1.483 0.01 . 1 . . . . 84 K HG2 . 7287 1 1027 . 1 1 85 85 LYS HG3 H 1 1.483 0.01 . 1 . . . . 84 K HG3 . 7287 1 1028 . 1 1 85 85 LYS C C 13 175.455 0.1 . 1 . . . . 84 K CO . 7287 1 1029 . 1 1 85 85 LYS N N 15 120.457 0.1 . 1 . . . . 84 K N . 7287 1 1030 . 1 1 86 86 PRO HA H 1 2.562 0.01 . 1 . . . . 85 P HA . 7287 1 1031 . 1 1 86 86 PRO HB2 H 1 1.536 0.01 . 1 . . . . 85 P HB2 . 7287 1 1032 . 1 1 86 86 PRO HB3 H 1 1.536 0.01 . 1 . . . . 85 P HB3 . 7287 1 1033 . 1 1 86 86 PRO HG2 H 1 2.091 0.01 . 1 . . . . 85 P HG2 . 7287 1 1034 . 1 1 86 86 PRO HG3 H 1 1.921 0.01 . 1 . . . . 85 P HG3 . 7287 1 1035 . 1 1 86 86 PRO HD2 H 1 3.711 0.01 . 1 . . . . 85 P HD2 . 7287 1 1036 . 1 1 86 86 PRO HD3 H 1 3.494 0.01 . 1 . . . . 85 P HD3 . 7287 1 1037 . 1 1 86 86 PRO C C 13 176.233 0.1 . 1 . . . . 85 P CO . 7287 1 1038 . 1 1 86 86 PRO CA C 13 63.892 0.1 . 1 . . . . 85 P CA . 7287 1 1039 . 1 1 86 86 PRO CB C 13 31.344 0.1 . 1 . . . . 85 P CB . 7287 1 1040 . 1 1 86 86 PRO CG C 13 27.243 0.1 . 1 . . . . 85 P CG . 7287 1 1041 . 1 1 86 86 PRO CD C 13 50.464 0.1 . 1 . . . . 85 P CD . 7287 1 1042 . 1 1 87 87 GLU H H 1 8.239 0.01 . 1 . . . . 86 E HN . 7287 1 1043 . 1 1 87 87 GLU HA H 1 4.16 0.01 . 1 . . . . 86 E HA . 7287 1 1044 . 1 1 87 87 GLU HB2 H 1 2.037 0.01 . 1 . . . . 86 E HB2 . 7287 1 1045 . 1 1 87 87 GLU HB3 H 1 2.037 0.01 . 1 . . . . 86 E HB3 . 7287 1 1046 . 1 1 87 87 GLU HG2 H 1 2.191 0.01 . 1 . . . . 86 E HG2 . 7287 1 1047 . 1 1 87 87 GLU HG3 H 1 2.191 0.01 . 1 . . . . 86 E HG3 . 7287 1 1048 . 1 1 87 87 GLU C C 13 177.362 0.1 . 1 . . . . 86 E CO . 7287 1 1049 . 1 1 87 87 GLU CA C 13 57.25 0.1 . 1 . . . . 86 E CA . 7287 1 1050 . 1 1 87 87 GLU CB C 13 28.27 0.1 . 1 . . . . 86 E CB . 7287 1 1051 . 1 1 87 87 GLU CG C 13 35.86 0.1 . 1 . . . . 86 E CG . 7287 1 1052 . 1 1 87 87 GLU N N 15 112.808 0.1 . 1 . . . . 86 E N . 7287 1 1053 . 1 1 88 88 THR H H 1 7.985 0.01 . 1 . . . . 87 T HN . 7287 1 1054 . 1 1 88 88 THR HA H 1 4.507 0.01 . 1 . . . . 87 T HA . 7287 1 1055 . 1 1 88 88 THR HB H 1 4.431 0.01 . 1 . . . . 87 T HB . 7287 1 1056 . 1 1 88 88 THR HG1 H 1 5.537 0.01 . 1 . . . . 87 T HG1 . 7287 1 1057 . 1 1 88 88 THR HG21 H 1 1.472 0.01 . 1 . . . . 87 T HG2# . 7287 1 1058 . 1 1 88 88 THR HG22 H 1 1.472 0.01 . 1 . . . . 87 T HG2# . 7287 1 1059 . 1 1 88 88 THR HG23 H 1 1.472 0.01 . 1 . . . . 87 T HG2# . 7287 1 1060 . 1 1 88 88 THR C C 13 175.903 0.1 . 1 . . . . 87 T CO . 7287 1 1061 . 1 1 88 88 THR CA C 13 61.642 0.1 . 1 . . . . 87 T CA . 7287 1 1062 . 1 1 88 88 THR CB C 13 73.327 0.1 . 1 . . . . 87 T CB . 7287 1 1063 . 1 1 88 88 THR CG2 C 13 22.655 0.1 . 1 . . . . 87 T CG2 . 7287 1 1064 . 1 1 88 88 THR N N 15 110.69 0.1 . 1 . . . . 87 T N . 7287 1 1065 . 1 1 89 89 ILE H H 1 8.644 0.01 . 1 . . . . 88 I HN . 7287 1 1066 . 1 1 89 89 ILE HA H 1 3.922 0.01 . 1 . . . . 88 I HA . 7287 1 1067 . 1 1 89 89 ILE HB H 1 1.759 0.01 . 1 . . . . 88 I HB . 7287 1 1068 . 1 1 89 89 ILE HG12 H 1 1.116 0.01 . 1 . . . . 88 I HG11 . 7287 1 1069 . 1 1 89 89 ILE HG13 H 1 1.116 0.01 . 1 . . . . 88 I HG12 . 7287 1 1070 . 1 1 89 89 ILE HG21 H 1 0.881 0.01 . 1 . . . . 88 I HG2# . 7287 1 1071 . 1 1 89 89 ILE HG22 H 1 0.881 0.01 . 1 . . . . 88 I HG2# . 7287 1 1072 . 1 1 89 89 ILE HG23 H 1 0.881 0.01 . 1 . . . . 88 I HG2# . 7287 1 1073 . 1 1 89 89 ILE HD11 H 1 0.738 0.01 . 1 . . . . 88 I HD1# . 7287 1 1074 . 1 1 89 89 ILE HD12 H 1 0.738 0.01 . 1 . . . . 88 I HD1# . 7287 1 1075 . 1 1 89 89 ILE HD13 H 1 0.738 0.01 . 1 . . . . 88 I HD1# . 7287 1 1076 . 1 1 89 89 ILE C C 13 178.349 0.1 . 1 . . . . 88 I CO . 7287 1 1077 . 1 1 89 89 ILE CA C 13 63.811 0.1 . 1 . . . . 88 I CA . 7287 1 1078 . 1 1 89 89 ILE CB C 13 37.611 0.1 . 1 . . . . 88 I CB . 7287 1 1079 . 1 1 89 89 ILE CG2 C 13 17.134 0.1 . 1 . . . . 88 I CG2 . 7287 1 1080 . 1 1 89 89 ILE N N 15 118.946 0.1 . 1 . . . . 88 I N . 7287 1 1081 . 1 1 90 90 TYR H H 1 6.95 0.01 . 1 . . . . 89 Y HN . 7287 1 1082 . 1 1 90 90 TYR HA H 1 3.892 0.01 . 1 . . . . 89 Y HA . 7287 1 1083 . 1 1 90 90 TYR HB2 H 1 3.088 0.01 . 1 . . . . 89 Y HB2 . 7287 1 1084 . 1 1 90 90 TYR HB3 H 1 2.572 0.01 . 1 . . . . 89 Y HB3 . 7287 1 1085 . 1 1 90 90 TYR HD1 H 1 6.605 0.01 . 1 . . . . 89 Y HD1 . 7287 1 1086 . 1 1 90 90 TYR HD2 H 1 6.605 0.01 . 1 . . . . 89 Y HD2 . 7287 1 1087 . 1 1 90 90 TYR C C 13 177.577 0.1 . 1 . . . . 89 Y CO . 7287 1 1088 . 1 1 90 90 TYR CA C 13 60.377 0.1 . 1 . . . . 89 Y CA . 7287 1 1089 . 1 1 90 90 TYR CB C 13 38.681 0.1 . 1 . . . . 89 Y CB . 7287 1 1090 . 1 1 90 90 TYR N N 15 118.876 0.1 . 1 . . . . 89 Y N . 7287 1 1091 . 1 1 91 91 TYR H H 1 7.486 0.01 . 1 . . . . 90 Y HN . 7287 1 1092 . 1 1 91 91 TYR HA H 1 3.75 0.01 . 1 . . . . 90 Y HA . 7287 1 1093 . 1 1 91 91 TYR HB2 H 1 2.573 0.01 . 1 . . . . 90 Y HB2 . 7287 1 1094 . 1 1 91 91 TYR HB3 H 1 3.172 0.01 . 1 . . . . 90 Y HB3 . 7287 1 1095 . 1 1 91 91 TYR HD1 H 1 6.98 0.01 . 1 . . . . 90 Y HD1 . 7287 1 1096 . 1 1 91 91 TYR HD2 H 1 6.98 0.01 . 1 . . . . 90 Y HD2 . 7287 1 1097 . 1 1 91 91 TYR C C 13 177.342 0.1 . 1 . . . . 90 Y CO . 7287 1 1098 . 1 1 91 91 TYR CA C 13 62.078 0.1 . 1 . . . . 90 Y CA . 7287 1 1099 . 1 1 91 91 TYR CB C 13 39.383 0.1 . 1 . . . . 90 Y CB . 7287 1 1100 . 1 1 91 91 TYR N N 15 119.428 0.1 . 1 . . . . 90 Y N . 7287 1 1101 . 1 1 92 92 LYS H H 1 7.974 0.01 . 1 . . . . 91 K HN . 7287 1 1102 . 1 1 92 92 LYS HA H 1 3.946 0.01 . 1 . . . . 91 K HA . 7287 1 1103 . 1 1 92 92 LYS HB2 H 1 1.992 0.01 . 1 . . . . 91 K HB2 . 7287 1 1104 . 1 1 92 92 LYS HB3 H 1 1.992 0.01 . 1 . . . . 91 K HB3 . 7287 1 1105 . 1 1 92 92 LYS C C 13 179.732 0.1 . 1 . . . . 91 K CO . 7287 1 1106 . 1 1 92 92 LYS CA C 13 60.297 0.1 . 1 . . . . 91 K CA . 7287 1 1107 . 1 1 92 92 LYS CB C 13 32.739 0.1 . 1 . . . . 91 K CB . 7287 1 1108 . 1 1 92 92 LYS CG C 13 21.478 0.1 . 1 . . . . 91 K CG . 7287 1 1109 . 1 1 92 92 LYS CD C 13 26.493 0.1 . 1 . . . . 91 K CD . 7287 1 1110 . 1 1 92 92 LYS CE C 13 42.242 0.1 . 1 . . . . 91 K CE . 7287 1 1111 . 1 1 92 92 LYS N N 15 117.107 0.1 . 1 . . . . 91 K N . 7287 1 1112 . 1 1 93 93 ALA H H 1 8.56 0.01 . 1 . . . . 92 A HN . 7287 1 1113 . 1 1 93 93 ALA HA H 1 4.346 0.01 . 1 . . . . 92 A HA . 7287 1 1114 . 1 1 93 93 ALA HB1 H 1 1.885 0.01 . 1 . . . . 92 A HB# . 7287 1 1115 . 1 1 93 93 ALA HB2 H 1 1.885 0.01 . 1 . . . . 92 A HB# . 7287 1 1116 . 1 1 93 93 ALA HB3 H 1 1.885 0.01 . 1 . . . . 92 A HB# . 7287 1 1117 . 1 1 93 93 ALA C C 13 180.63 0.1 . 1 . . . . 92 A CO . 7287 1 1118 . 1 1 93 93 ALA CA C 13 54.879 0.1 . 1 . . . . 92 A CA . 7287 1 1119 . 1 1 93 93 ALA CB C 13 19.241 0.1 . 1 . . . . 92 A CB . 7287 1 1120 . 1 1 93 93 ALA N N 15 120.939 0.1 . 1 . . . . 92 A N . 7287 1 1121 . 1 1 94 94 ALA H H 1 8.294 0.01 . 1 . . . . 93 A HN . 7287 1 1122 . 1 1 94 94 ALA HA H 1 3.856 0.01 . 1 . . . . 93 A HA . 7287 1 1123 . 1 1 94 94 ALA HB1 H 1 1.515 0.01 . 1 . . . . 93 A HB# . 7287 1 1124 . 1 1 94 94 ALA HB2 H 1 1.515 0.01 . 1 . . . . 93 A HB# . 7287 1 1125 . 1 1 94 94 ALA HB3 H 1 1.515 0.01 . 1 . . . . 93 A HB# . 7287 1 1126 . 1 1 94 94 ALA C C 13 178.177 0.1 . 1 . . . . 93 A CO . 7287 1 1127 . 1 1 94 94 ALA CA C 13 55.4 0.1 . 1 . . . . 93 A CA . 7287 1 1128 . 1 1 94 94 ALA CB C 13 20.054 0.1 . 1 . . . . 93 A CB . 7287 1 1129 . 1 1 94 94 ALA N N 15 122.959 0.1 . 1 . . . . 93 A N . 7287 1 1130 . 1 1 95 95 LYS H H 1 8.199 0.01 . 1 . . . . 94 K HN . 7287 1 1131 . 1 1 95 95 LYS HA H 1 3.794 0.01 . 1 . . . . 94 K HA . 7287 1 1132 . 1 1 95 95 LYS HB2 H 1 1.679 0.01 . 1 . . . . 94 K HB2 . 7287 1 1133 . 1 1 95 95 LYS HB3 H 1 1.879 0.01 . 1 . . . . 94 K HB3 . 7287 1 1134 . 1 1 95 95 LYS HG2 H 1 1.336 0.01 . 1 . . . . 94 K HG2 . 7287 1 1135 . 1 1 95 95 LYS HG3 H 1 1.336 0.01 . 1 . . . . 94 K HG3 . 7287 1 1136 . 1 1 95 95 LYS HE2 H 1 3.016 0.01 . 1 . . . . 94 K HE2 . 7287 1 1137 . 1 1 95 95 LYS HE3 H 1 3.016 0.01 . 1 . . . . 94 K HE3 . 7287 1 1138 . 1 1 95 95 LYS C C 13 179.142 0.1 . 1 . . . . 94 K CO . 7287 1 1139 . 1 1 95 95 LYS CA C 13 60.231 0.1 . 1 . . . . 94 K CA . 7287 1 1140 . 1 1 95 95 LYS CB C 13 32.941 0.1 . 1 . . . . 94 K CB . 7287 1 1141 . 1 1 95 95 LYS CG C 13 25.087 0.1 . 1 . . . . 94 K CG . 7287 1 1142 . 1 1 95 95 LYS CD C 13 29.876 0.1 . 1 . . . . 94 K CD . 7287 1 1143 . 1 1 95 95 LYS CE C 13 42.311 0.1 . 1 . . . . 94 K CE . 7287 1 1144 . 1 1 95 95 LYS N N 15 119.489 0.1 . 1 . . . . 94 K N . 7287 1 1145 . 1 1 96 96 LYS H H 1 7.717 0.01 . 1 . . . . 95 K HN . 7287 1 1146 . 1 1 96 96 LYS HA H 1 4.216 0.01 . 1 . . . . 95 K HA . 7287 1 1147 . 1 1 96 96 LYS HB2 H 1 2.019 0.01 . 1 . . . . 95 K HB2 . 7287 1 1148 . 1 1 96 96 LYS HB3 H 1 2.019 0.01 . 1 . . . . 95 K HB3 . 7287 1 1149 . 1 1 96 96 LYS HG2 H 1 1.644 0.01 . 1 . . . . 95 K HG2 . 7287 1 1150 . 1 1 96 96 LYS HG3 H 1 1.644 0.01 . 1 . . . . 95 K HG3 . 7287 1 1151 . 1 1 96 96 LYS HD2 H 1 1.796 0.01 . 1 . . . . 95 K HD2 . 7287 1 1152 . 1 1 96 96 LYS HD3 H 1 1.796 0.01 . 1 . . . . 95 K HD3 . 7287 1 1153 . 1 1 96 96 LYS HE2 H 1 3.046 0.01 . 1 . . . . 95 K HE2 . 7287 1 1154 . 1 1 96 96 LYS HE3 H 1 3.046 0.01 . 1 . . . . 95 K HE3 . 7287 1 1155 . 1 1 96 96 LYS C C 13 179.168 0.1 . 1 . . . . 95 K CO . 7287 1 1156 . 1 1 96 96 LYS CA C 13 59.464 0.1 . 1 . . . . 95 K CA . 7287 1 1157 . 1 1 96 96 LYS CB C 13 32.864 0.1 . 1 . . . . 95 K CB . 7287 1 1158 . 1 1 96 96 LYS CG C 13 24.979 0.1 . 1 . . . . 95 K CG . 7287 1 1159 . 1 1 96 96 LYS CD C 13 29.115 0.1 . 1 . . . . 95 K CD . 7287 1 1160 . 1 1 96 96 LYS N N 15 119.096 0.1 . 1 . . . . 95 K N . 7287 1 1161 . 1 1 97 97 LEU H H 1 8.428 0.01 . 1 . . . . 96 L HN . 7287 1 1162 . 1 1 97 97 LEU HA H 1 4.246 0.01 . 1 . . . . 96 L HA . 7287 1 1163 . 1 1 97 97 LEU HB2 H 1 1.719 0.01 . 1 . . . . 96 L HB2 . 7287 1 1164 . 1 1 97 97 LEU HB3 H 1 1.719 0.01 . 1 . . . . 96 L HB3 . 7287 1 1165 . 1 1 97 97 LEU HG H 1 1.59 0.01 . 1 . . . . 96 L HG . 7287 1 1166 . 1 1 97 97 LEU HD11 H 1 1.156 0.01 . 1 . . . . 96 L HD1# . 7287 1 1167 . 1 1 97 97 LEU HD12 H 1 1.156 0.01 . 1 . . . . 96 L HD1# . 7287 1 1168 . 1 1 97 97 LEU HD13 H 1 1.156 0.01 . 1 . . . . 96 L HD1# . 7287 1 1169 . 1 1 97 97 LEU HD21 H 1 0.666 0.01 . 1 . . . . 96 L HD2# . 7287 1 1170 . 1 1 97 97 LEU HD22 H 1 0.666 0.01 . 1 . . . . 96 L HD2# . 7287 1 1171 . 1 1 97 97 LEU HD23 H 1 0.666 0.01 . 1 . . . . 96 L HD2# . 7287 1 1172 . 1 1 97 97 LEU C C 13 178.658 0.1 . 1 . . . . 96 L CO . 7287 1 1173 . 1 1 97 97 LEU CA C 13 57.905 0.1 . 1 . . . . 96 L CA . 7287 1 1174 . 1 1 97 97 LEU CB C 13 42.059 0.1 . 1 . . . . 96 L CB . 7287 1 1175 . 1 1 97 97 LEU CG C 13 26.872 0.1 . 1 . . . . 96 L CG . 7287 1 1176 . 1 1 97 97 LEU CD1 C 13 23.767 0.1 . 1 . . . . 96 L CD1 . 7287 1 1177 . 1 1 97 97 LEU CD2 C 13 28.272 0.1 . 1 . . . . 96 L CD2 . 7287 1 1178 . 1 1 97 97 LEU N N 15 122.232 0.1 . 1 . . . . 96 L N . 7287 1 1179 . 1 1 98 98 LEU H H 1 8.587 0.01 . 1 . . . . 97 L HN . 7287 1 1180 . 1 1 98 98 LEU HA H 1 4.183 0.01 . 1 . . . . 97 L HA . 7287 1 1181 . 1 1 98 98 LEU HB2 H 1 1.276 0.01 . 1 . . . . 97 L HB2 . 7287 1 1182 . 1 1 98 98 LEU HB3 H 1 1.276 0.01 . 1 . . . . 97 L HB3 . 7287 1 1183 . 1 1 98 98 LEU HG H 1 1.517 0.01 . 1 . . . . 97 L HG . 7287 1 1184 . 1 1 98 98 LEU HD11 H 1 0.835 0.01 . 1 . . . . 97 L HD1# . 7287 1 1185 . 1 1 98 98 LEU HD12 H 1 0.835 0.01 . 1 . . . . 97 L HD1# . 7287 1 1186 . 1 1 98 98 LEU HD13 H 1 0.835 0.01 . 1 . . . . 97 L HD1# . 7287 1 1187 . 1 1 98 98 LEU HD21 H 1 0.785 0.01 . 1 . . . . 97 L HD2# . 7287 1 1188 . 1 1 98 98 LEU HD22 H 1 0.785 0.01 . 1 . . . . 97 L HD2# . 7287 1 1189 . 1 1 98 98 LEU HD23 H 1 0.785 0.01 . 1 . . . . 97 L HD2# . 7287 1 1190 . 1 1 98 98 LEU C C 13 178.553 0.1 . 1 . . . . 97 L CO . 7287 1 1191 . 1 1 98 98 LEU CA C 13 58.585 0.1 . 1 . . . . 97 L CA . 7287 1 1192 . 1 1 98 98 LEU CB C 13 41.72 0.1 . 1 . . . . 97 L CB . 7287 1 1193 . 1 1 98 98 LEU CG C 13 26.328 0.1 . 1 . . . . 97 L CG . 7287 1 1194 . 1 1 98 98 LEU CD1 C 13 17.982 0.1 . 1 . . . . 97 L CD1 . 7287 1 1195 . 1 1 98 98 LEU CD2 C 13 23.117 0.1 . 1 . . . . 97 L CD2 . 7287 1 1196 . 1 1 98 98 LEU N N 15 121.465 0.1 . 1 . . . . 97 L N . 7287 1 1197 . 1 1 99 99 HIS H H 1 7.653 0.01 . 1 . . . . 98 H HN . 7287 1 1198 . 1 1 99 99 HIS HA H 1 4.286 0.01 . 1 . . . . 98 H HA . 7287 1 1199 . 1 1 99 99 HIS HB2 H 1 3.315 0.01 . 1 . . . . 98 H HB2 . 7287 1 1200 . 1 1 99 99 HIS HB3 H 1 3.315 0.01 . 1 . . . . 98 H HB3 . 7287 1 1201 . 1 1 99 99 HIS HD2 H 1 7.156 0.01 . 1 . . . . 98 H HD2 . 7287 1 1202 . 1 1 99 99 HIS C C 13 178.801 0.1 . 1 . . . . 98 H CO . 7287 1 1203 . 1 1 99 99 HIS CA C 13 59.804 0.1 . 1 . . . . 98 H CA . 7287 1 1204 . 1 1 99 99 HIS CB C 13 29.797 0.1 . 1 . . . . 98 H CB . 7287 1 1205 . 1 1 99 99 HIS N N 15 116.102 0.1 . 1 . . . . 98 H N . 7287 1 1206 . 1 1 100 100 SER H H 1 8.729 0.01 . 1 . . . . 99 S HN . 7287 1 1207 . 1 1 100 100 SER HA H 1 4.215 0.01 . 1 . . . . 99 S HA . 7287 1 1208 . 1 1 100 100 SER HB2 H 1 3.971 0.01 . 1 . . . . 99 S HB2 . 7287 1 1209 . 1 1 100 100 SER HB3 H 1 3.971 0.01 . 1 . . . . 99 S HB3 . 7287 1 1210 . 1 1 100 100 SER C C 13 178.003 0.1 . 1 . . . . 99 S CO . 7287 1 1211 . 1 1 100 100 SER CA C 13 62.024 0.1 . 1 . . . . 99 S CA . 7287 1 1212 . 1 1 100 100 SER CB C 13 63.538 0.1 . 1 . . . . 99 S CB . 7287 1 1213 . 1 1 100 100 SER N N 15 115.28 0.1 . 1 . . . . 99 S N . 7287 1 1214 . 1 1 101 101 GLY H H 1 9.744 0.01 . 1 . . . . 100 G HN . 7287 1 1215 . 1 1 101 101 GLY HA2 H 1 3.778 0.01 . 1 . . . . 100 G HA1 . 7287 1 1216 . 1 1 101 101 GLY HA3 H 1 3.55 0.01 . 1 . . . . 100 G HA2 . 7287 1 1217 . 1 1 101 101 GLY C C 13 175.348 0.1 . 1 . . . . 100 G CO . 7287 1 1218 . 1 1 101 101 GLY CA C 13 46.978 0.1 . 1 . . . . 100 G CA . 7287 1 1219 . 1 1 101 101 GLY N N 15 112.337 0.1 . 1 . . . . 100 G N . 7287 1 1220 . 1 1 102 102 MET H H 1 8.523 0.01 . 1 . . . . 101 M HN . 7287 1 1221 . 1 1 102 102 MET HA H 1 4.427 0.01 . 1 . . . . 101 M HA . 7287 1 1222 . 1 1 102 102 MET HB2 H 1 2.002 0.01 . 1 . . . . 101 M HB2 . 7287 1 1223 . 1 1 102 102 MET HB3 H 1 2.296 0.01 . 1 . . . . 101 M HB3 . 7287 1 1224 . 1 1 102 102 MET HG2 H 1 2.999 0.01 . 1 . . . . 101 M HG2 . 7287 1 1225 . 1 1 102 102 MET HG3 H 1 2.828 0.01 . 1 . . . . 101 M HG3 . 7287 1 1226 . 1 1 102 102 MET C C 13 179.349 0.1 . 1 . . . . 101 M CO . 7287 1 1227 . 1 1 102 102 MET CA C 13 57.14 0.1 . 1 . . . . 101 M CA . 7287 1 1228 . 1 1 102 102 MET CB C 13 30.14 0.1 . 1 . . . . 101 M CB . 7287 1 1229 . 1 1 102 102 MET CG C 13 33.201 0.1 . 1 . . . . 101 M CG . 7287 1 1230 . 1 1 102 102 MET N N 15 119.316 0.1 . 1 . . . . 101 M N . 7287 1 1231 . 1 1 103 103 LYS H H 1 7.068 0.01 . 1 . . . . 102 K HN . 7287 1 1232 . 1 1 103 103 LYS HA H 1 4.037 0.01 . 1 . . . . 102 K HA . 7287 1 1233 . 1 1 103 103 LYS HB2 H 1 1.88 0.01 . 1 . . . . 102 K HB2 . 7287 1 1234 . 1 1 103 103 LYS HB3 H 1 1.88 0.01 . 1 . . . . 102 K HB3 . 7287 1 1235 . 1 1 103 103 LYS HG2 H 1 1.327 0.01 . 1 . . . . 102 K HG2 . 7287 1 1236 . 1 1 103 103 LYS HG3 H 1 1.511 0.01 . 1 . . . . 102 K HG3 . 7287 1 1237 . 1 1 103 103 LYS HD2 H 1 1.635 0.01 . 1 . . . . 102 K HD2 . 7287 1 1238 . 1 1 103 103 LYS HD3 H 1 1.635 0.01 . 1 . . . . 102 K HD3 . 7287 1 1239 . 1 1 103 103 LYS HE2 H 1 2.861 0.01 . 1 . . . . 102 K HE2 . 7287 1 1240 . 1 1 103 103 LYS HE3 H 1 2.861 0.01 . 1 . . . . 102 K HE3 . 7287 1 1241 . 1 1 103 103 LYS C C 13 179.244 0.1 . 1 . . . . 102 K CO . 7287 1 1242 . 1 1 103 103 LYS CA C 13 59.636 0.1 . 1 . . . . 102 K CA . 7287 1 1243 . 1 1 103 103 LYS CB C 13 31.921 0.1 . 1 . . . . 102 K CB . 7287 1 1244 . 1 1 103 103 LYS CG C 13 24.676 0.1 . 1 . . . . 102 K CG . 7287 1 1245 . 1 1 103 103 LYS CD C 13 28.957 0.1 . 1 . . . . 102 K CD . 7287 1 1246 . 1 1 103 103 LYS CE C 13 41.838 0.1 . 1 . . . . 102 K CE . 7287 1 1247 . 1 1 103 103 LYS N N 15 119.244 0.1 . 1 . . . . 102 K N . 7287 1 1248 . 1 1 104 104 ILE H H 1 7.156 0.01 . 1 . . . . 103 I HN . 7287 1 1249 . 1 1 104 104 ILE HA H 1 3.655 0.01 . 1 . . . . 103 I HA . 7287 1 1250 . 1 1 104 104 ILE HB H 1 1.838 0.01 . 1 . . . . 103 I HB . 7287 1 1251 . 1 1 104 104 ILE HG12 H 1 1.085 0.01 . 1 . . . . 103 I HG11 . 7287 1 1252 . 1 1 104 104 ILE HG13 H 1 1.085 0.01 . 1 . . . . 103 I HG12 . 7287 1 1253 . 1 1 104 104 ILE HG21 H 1 0.685 0.01 . 1 . . . . 103 I HG2# . 7287 1 1254 . 1 1 104 104 ILE HG22 H 1 0.685 0.01 . 1 . . . . 103 I HG2# . 7287 1 1255 . 1 1 104 104 ILE HG23 H 1 0.685 0.01 . 1 . . . . 103 I HG2# . 7287 1 1256 . 1 1 104 104 ILE HD11 H 1 0.667 0.01 . 1 . . . . 103 I HD1# . 7287 1 1257 . 1 1 104 104 ILE HD12 H 1 0.667 0.01 . 1 . . . . 103 I HD1# . 7287 1 1258 . 1 1 104 104 ILE HD13 H 1 0.667 0.01 . 1 . . . . 103 I HD1# . 7287 1 1259 . 1 1 104 104 ILE C C 13 177.827 0.1 . 1 . . . . 103 I CO . 7287 1 1260 . 1 1 104 104 ILE CA C 13 64.615 0.1 . 1 . . . . 103 I CA . 7287 1 1261 . 1 1 104 104 ILE CB C 13 38.291 0.1 . 1 . . . . 103 I CB . 7287 1 1262 . 1 1 104 104 ILE CG2 C 13 17.551 0.1 . 1 . . . . 103 I CG2 . 7287 1 1263 . 1 1 104 104 ILE N N 15 120.084 0.1 . 1 . . . . 103 I N . 7287 1 1264 . 1 1 105 105 LEU C C 13 176.699 0.1 . 1 . . . . 104 L CO . 7287 1 1265 . 1 1 105 105 LEU H H 1 7.94 0.01 . 1 . . . . 104 L HN . 7287 1 1266 . 1 1 105 105 LEU HA H 1 3.966 0.01 . 1 . . . . 104 L HA . 7287 1 1267 . 1 1 105 105 LEU HB2 H 1 1.372 0.01 . 1 . . . . 104 L HB2 . 7287 1 1268 . 1 1 105 105 LEU HB3 H 1 1.701 0.01 . 1 . . . . 104 L HB3 . 7287 1 1269 . 1 1 105 105 LEU HG H 1 1.429 0.01 . 1 . . . . 104 L HG . 7287 1 1270 . 1 1 105 105 LEU HD11 H 1 0.454 0.01 . 1 . . . . 104 L HD1# . 7287 1 1271 . 1 1 105 105 LEU HD12 H 1 0.454 0.01 . 1 . . . . 104 L HD1# . 7287 1 1272 . 1 1 105 105 LEU HD13 H 1 0.454 0.01 . 1 . . . . 104 L HD1# . 7287 1 1273 . 1 1 105 105 LEU HD21 H 1 0.634 0.01 . 1 . . . . 104 L HD2# . 7287 1 1274 . 1 1 105 105 LEU HD22 H 1 0.634 0.01 . 1 . . . . 104 L HD2# . 7287 1 1275 . 1 1 105 105 LEU HD23 H 1 0.634 0.01 . 1 . . . . 104 L HD2# . 7287 1 1276 . 1 1 105 105 LEU CA C 13 56.115 0.1 . 1 . . . . 104 L CA . 7287 1 1277 . 1 1 105 105 LEU CB C 13 41.84 0.1 . 1 . . . . 104 L CB . 7287 1 1278 . 1 1 105 105 LEU CD1 C 13 26.227 0.1 . 1 . . . . 104 L CD1 . 7287 1 1279 . 1 1 105 105 LEU CD2 C 13 23.903 0.1 . 1 . . . . 104 L CD2 . 7287 1 1280 . 1 1 105 105 LEU N N 15 116.915 0.1 . 1 . . . . 104 L N . 7287 1 1281 . 1 1 106 106 SER H H 1 7.511 0.01 . 1 . . . . 105 S HN . 7287 1 1282 . 1 1 106 106 SER HA H 1 4.405 0.01 . 1 . . . . 105 S HA . 7287 1 1283 . 1 1 106 106 SER HB2 H 1 3.953 0.01 . 1 . . . . 105 S HB2 . 7287 1 1284 . 1 1 106 106 SER HB3 H 1 3.953 0.01 . 1 . . . . 105 S HB3 . 7287 1 1285 . 1 1 106 106 SER C C 13 174.581 0.1 . 1 . . . . 105 S CO . 7287 1 1286 . 1 1 106 106 SER CA C 13 58.848 0.1 . 1 . . . . 105 S CA . 7287 1 1287 . 1 1 106 106 SER CB C 13 63.789 0.1 . 1 . . . . 105 S CB . 7287 1 1288 . 1 1 106 106 SER N N 15 113.757 0.1 . 1 . . . . 105 S N . 7287 1 1289 . 1 1 107 107 GLN H H 1 7.813 0.01 . 1 . . . . 106 Q HN . 7287 1 1290 . 1 1 107 107 GLN HA H 1 4.149 0.01 . 1 . . . . 106 Q HA . 7287 1 1291 . 1 1 107 107 GLN HB2 H 1 2.074 0.01 . 1 . . . . 106 Q HB2 . 7287 1 1292 . 1 1 107 107 GLN HB3 H 1 2.047 0.01 . 1 . . . . 106 Q HB3 . 7287 1 1293 . 1 1 107 107 GLN HG2 H 1 2.377 0.01 . 1 . . . . 106 Q HG2 . 7287 1 1294 . 1 1 107 107 GLN HG3 H 1 2.377 0.01 . 1 . . . . 106 Q HG3 . 7287 1 1295 . 1 1 107 107 GLN HE21 H 1 7.609 0.01 . 1 . . . . 106 Q HE21 . 7287 1 1296 . 1 1 107 107 GLN HE22 H 1 6.92 0.01 . 1 . . . . 106 Q HE22 . 7287 1 1297 . 1 1 107 107 GLN C C 13 176.269 0.1 . 1 . . . . 106 Q CO . 7287 1 1298 . 1 1 107 107 GLN CA C 13 56.746 0.1 . 1 . . . . 106 Q CA . 7287 1 1299 . 1 1 107 107 GLN CB C 13 29.262 0.1 . 1 . . . . 106 Q CB . 7287 1 1300 . 1 1 107 107 GLN CG C 13 33.865 0.1 . 1 . . . . 106 Q CG . 7287 1 1301 . 1 1 107 107 GLN N N 15 121.292 0.1 . 1 . . . . 106 Q N . 7287 1 1302 . 1 1 107 107 GLN NE2 N 15 112.237 0.1 . 1 . . . . 106 Q NE2 . 7287 1 1303 . 1 1 108 108 GLU H H 1 8.343 0.01 . 1 . . . . 107 E HN . 7287 1 1304 . 1 1 108 108 GLU HA H 1 4.133 0.01 . 1 . . . . 107 E HA . 7287 1 1305 . 1 1 108 108 GLU HB2 H 1 1.951 0.01 . 1 . . . . 107 E HB2 . 7287 1 1306 . 1 1 108 108 GLU HB3 H 1 1.951 0.01 . 1 . . . . 107 E HB3 . 7287 1 1307 . 1 1 108 108 GLU HG2 H 1 2.212 0.01 . 1 . . . . 107 E HG2 . 7287 1 1308 . 1 1 108 108 GLU HG3 H 1 2.212 0.01 . 1 . . . . 107 E HG3 . 7287 1 1309 . 1 1 108 108 GLU C C 13 176.244 0.1 . 1 . . . . 107 E CO . 7287 1 1310 . 1 1 108 108 GLU CA C 13 56.568 0.1 . 1 . . . . 107 E CA . 7287 1 1311 . 1 1 108 108 GLU CB C 13 30.203 0.1 . 1 . . . . 107 E CB . 7287 1 1312 . 1 1 108 108 GLU CG C 13 35.948 0.1 . 1 . . . . 107 E CG . 7287 1 1313 . 1 1 108 108 GLU N N 15 121.31 0.1 . 1 . . . . 107 E N . 7287 1 1314 . 1 1 109 109 ARG H H 1 8.288 0.01 . 1 . . . . 108 R HN . 7287 1 1315 . 1 1 109 109 ARG HA H 1 4.548 0.01 . 1 . . . . 108 R HA . 7287 1 1316 . 1 1 109 109 ARG HB2 H 1 3.026 0.01 . 1 . . . . 108 R HB2 . 7287 1 1317 . 1 1 109 109 ARG HB3 H 1 3.026 0.01 . 1 . . . . 108 R HB3 . 7287 1 1318 . 1 1 109 109 ARG HG2 H 1 1.848 0.01 . 1 . . . . 108 R HG2 . 7287 1 1319 . 1 1 109 109 ARG HG3 H 1 1.848 0.01 . 1 . . . . 108 R HG3 . 7287 1 1320 . 1 1 109 109 ARG C C 13 176.406 0.1 . 1 . . . . 108 R CO . 7287 1 1321 . 1 1 109 109 ARG CA C 13 55.995 0.1 . 1 . . . . 108 R CA . 7287 1 1322 . 1 1 109 109 ARG CB C 13 30.252 0.1 . 1 . . . . 108 R CB . 7287 1 1323 . 1 1 109 109 ARG N N 15 119.461 0.1 . 1 . . . . 108 R N . 7287 1 1324 . 1 1 110 110 LEU H H 1 8.191 0.01 . 1 . . . . 109 L HN . 7287 1 1325 . 1 1 110 110 LEU HA H 1 4.223 0.01 . 1 . . . . 109 L HA . 7287 1 1326 . 1 1 110 110 LEU HB2 H 1 1.578 0.01 . 1 . . . . 109 L HB2 . 7287 1 1327 . 1 1 110 110 LEU HB3 H 1 1.462 0.01 . 1 . . . . 109 L HB3 . 7287 1 1328 . 1 1 110 110 LEU HD11 H 1 0.794 0.01 . 1 . . . . 109 L HD1# . 7287 1 1329 . 1 1 110 110 LEU HD12 H 1 0.794 0.01 . 1 . . . . 109 L HD1# . 7287 1 1330 . 1 1 110 110 LEU HD13 H 1 0.794 0.01 . 1 . . . . 109 L HD1# . 7287 1 1331 . 1 1 110 110 LEU C C 13 177.406 0.1 . 1 . . . . 109 L CO . 7287 1 1332 . 1 1 110 110 LEU CA C 13 55.513 0.1 . 1 . . . . 109 L CA . 7287 1 1333 . 1 1 110 110 LEU CB C 13 42.127 0.1 . 1 . . . . 109 L CB . 7287 1 1334 . 1 1 110 110 LEU N N 15 122.662 0.1 . 1 . . . . 109 L N . 7287 1 1335 . 1 1 111 111 GLU H H 1 8.304 0.01 . 1 . . . . 110 E HN . 7287 1 1336 . 1 1 111 111 GLU HA H 1 4.323 0.01 . 1 . . . . 110 E HA . 7287 1 1337 . 1 1 111 111 GLU HB2 H 1 2.038 0.01 . 1 . . . . 110 E HB2 . 7287 1 1338 . 1 1 111 111 GLU HB3 H 1 1.887 0.01 . 1 . . . . 110 E HB3 . 7287 1 1339 . 1 1 111 111 GLU C C 13 175.917 0.1 . 1 . . . . 110 E CO . 7287 1 1340 . 1 1 111 111 GLU CA C 13 56.341 0.1 . 1 . . . . 110 E CA . 7287 1 1341 . 1 1 111 111 GLU CB C 13 30.239 0.1 . 1 . . . . 110 E CB . 7287 1 1342 . 1 1 111 111 GLU N N 15 120.731 0.1 . 1 . . . . 110 E N . 7287 1 stop_ save_