data_6152 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6152 _Entry.Title ; Solution structure of TIP-B1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-03-19 _Entry.Accession_date 2004-03-19 _Entry.Last_release_date 2004-05-15 _Entry.Original_release_date 2004-05-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Chao Xu . . . 6152 2 Yajun Tang . . . 6152 3 Yingqi Xu . . . 6152 4 Jihui Wu . . . 6152 5 Yunyu Shi . . . 6152 6 Qinghua Zhang . . . 6152 7 Peicheng Zheng . . . 6152 8 Yanzhi Du . . . 6152 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6152 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 612 6152 '13C chemical shifts' 392 6152 '15N chemical shifts' 101 6152 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-05-15 2004-03-19 original author . 6152 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6152 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of recombinant TIP-B1, a novel TNF inhibitory protein' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 C. Xu . . . 6152 1 2 Y. Tang . J. . 6152 1 3 Y. Xu . Q. . 6152 1 4 J. Wu . H. . 6152 1 5 Y. Shi . Y. . 6152 1 6 Q. Zhang . H. . 6152 1 7 P. Zheng . C. . 6152 1 8 Y. Du . Z. . 6152 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'thioredoxin superfamily' 6152 1 'Nuclear protein' 6152 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TIP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TIP _Assembly.Entry_ID 6152 _Assembly.ID 1 _Assembly.Name 'TUMOR INHIBITORY PROTEIN' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID momomer 6152 1 stop_ 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 'TIP, momomer' 1 $TIP . . . native . . . . . 6152 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1SJ6 . . . . . . 6152 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'TUMOR INHIBITORY PROTEIN' system 6152 1 TIP abbreviation 6152 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TIP _Entity.Sf_category entity _Entity.Sf_framecode TIP _Entity.Entry_ID 6152 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TUMOR INHIBITORY PROTIEIN;SH3 domain binding glutamic acid-rich protein-like 3' _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 ; MSGLRVYSTSVTGSREIKSQ QSEVTRILDGKRIQYQLVDI SQDNALRDEMRALAGNPKAT PPQIVNGDQYCGDYELFVEA VEQNTLQEFLKLALEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 1SJ6 . "Nmr Structure And Regulated Expression In Apl Cell Of Human Sh3bgrl3" . . . . . 100.00 101 100.00 100.00 3.95e-68 . . . . 6152 1 2 no DBJ BAE88615 . "unnamed protein product [Macaca fascicularis]" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 3 no EMBL CAC35770 . "SH3BGRL3-like protein [Homo sapiens]" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 4 no EMBL CAH90649 . "hypothetical protein [Pongo abelii]" . . . . . 92.08 93 98.92 98.92 3.10e-60 . . . . 6152 1 5 no GB AAG41412 . "P1725 [Homo sapiens]" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 6 no GB AAH30135 . "SH3 domain binding glutamic acid-rich protein like 3 [Homo sapiens]" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 7 no GB AAI02049 . "SH3 domain binding glutamic acid-rich protein like 3 [Bos taurus]" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 8 no GB AAI67002 . "SH3 domain binding glutamic acid-rich protein-like 3 [Rattus norvegicus]" . . . . . 92.08 93 97.85 97.85 1.83e-59 . . . . 6152 1 9 no GB AAL95695 . "putative SH3 domain-binding protein SH3BP-1 [Homo sapiens]" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 10 no REF NP_001029935 . "SH3 domain-binding glutamic acid-rich-like protein 3 [Bos taurus]" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 11 no REF NP_001100158 . "SH3 domain-binding glutamic acid-rich-like protein 3 [Rattus norvegicus]" . . . . . 92.08 93 97.85 97.85 1.83e-59 . . . . 6152 1 12 no REF NP_001125350 . "SH3 domain-binding glutamic acid-rich-like protein 3 [Pongo abelii]" . . . . . 92.08 93 98.92 98.92 3.10e-60 . . . . 6152 1 13 no REF NP_001229384 . "SH3 domain binding glutamic acid-rich protein like 3 [Equus caballus]" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 14 no REF NP_112576 . "SH3 domain-binding glutamic acid-rich-like protein 3 [Homo sapiens]" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 15 no SP Q3ZCL8 . "RecName: Full=SH3 domain-binding glutamic acid-rich-like protein 3 [Bos taurus]" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 16 no SP Q5RC61 . "RecName: Full=SH3 domain-binding glutamic acid-rich-like protein 3 [Pongo abelii]" . . . . . 92.08 93 98.92 98.92 3.10e-60 . . . . 6152 1 17 no SP Q9H299 . "RecName: Full=SH3 domain-binding glutamic acid-rich-like protein 3; AltName: Full=SH3 domain-binding protein 1; Short=SH3BP-1 [" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 18 no TPG DAA32143 . "TPA: SH3 domain-binding glutamic acid-rich-like protein 3 [Bos taurus]" . . . . . 92.08 93 100.00 100.00 2.75e-61 . . . . 6152 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TUMOR INHIBITORY PROTIEIN;SH3 domain binding glutamic acid-rich protein-like 3' common 6152 1 TIP;SH3BGRL3 abbreviation 6152 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 1 MET . 6152 1 2 2 SER . 6152 1 3 3 GLY . 6152 1 4 4 LEU . 6152 1 5 5 ARG . 6152 1 6 6 VAL . 6152 1 7 7 TYR . 6152 1 8 8 SER . 6152 1 9 9 THR . 6152 1 10 10 SER . 6152 1 11 11 VAL . 6152 1 12 12 THR . 6152 1 13 13 GLY . 6152 1 14 14 SER . 6152 1 15 15 ARG . 6152 1 16 16 GLU . 6152 1 17 17 ILE . 6152 1 18 18 LYS . 6152 1 19 19 SER . 6152 1 20 20 GLN . 6152 1 21 21 GLN . 6152 1 22 22 SER . 6152 1 23 23 GLU . 6152 1 24 24 VAL . 6152 1 25 25 THR . 6152 1 26 26 ARG . 6152 1 27 27 ILE . 6152 1 28 28 LEU . 6152 1 29 29 ASP . 6152 1 30 30 GLY . 6152 1 31 31 LYS . 6152 1 32 32 ARG . 6152 1 33 33 ILE . 6152 1 34 34 GLN . 6152 1 35 35 TYR . 6152 1 36 36 GLN . 6152 1 37 37 LEU . 6152 1 38 38 VAL . 6152 1 39 39 ASP . 6152 1 40 40 ILE . 6152 1 41 41 SER . 6152 1 42 42 GLN . 6152 1 43 43 ASP . 6152 1 44 44 ASN . 6152 1 45 45 ALA . 6152 1 46 46 LEU . 6152 1 47 47 ARG . 6152 1 48 48 ASP . 6152 1 49 49 GLU . 6152 1 50 50 MET . 6152 1 51 51 ARG . 6152 1 52 52 ALA . 6152 1 53 53 LEU . 6152 1 54 54 ALA . 6152 1 55 55 GLY . 6152 1 56 56 ASN . 6152 1 57 57 PRO . 6152 1 58 58 LYS . 6152 1 59 59 ALA . 6152 1 60 60 THR . 6152 1 61 61 PRO . 6152 1 62 62 PRO . 6152 1 63 63 GLN . 6152 1 64 64 ILE . 6152 1 65 65 VAL . 6152 1 66 66 ASN . 6152 1 67 67 GLY . 6152 1 68 68 ASP . 6152 1 69 69 GLN . 6152 1 70 70 TYR . 6152 1 71 71 CYS . 6152 1 72 72 GLY . 6152 1 73 73 ASP . 6152 1 74 74 TYR . 6152 1 75 75 GLU . 6152 1 76 76 LEU . 6152 1 77 77 PHE . 6152 1 78 78 VAL . 6152 1 79 79 GLU . 6152 1 80 80 ALA . 6152 1 81 81 VAL . 6152 1 82 82 GLU . 6152 1 83 83 GLN . 6152 1 84 84 ASN . 6152 1 85 85 THR . 6152 1 86 86 LEU . 6152 1 87 87 GLN . 6152 1 88 88 GLU . 6152 1 89 89 PHE . 6152 1 90 90 LEU . 6152 1 91 91 LYS . 6152 1 92 92 LEU . 6152 1 93 93 ALA . 6152 1 94 94 LEU . 6152 1 95 95 GLU . 6152 1 96 96 HIS . 6152 1 97 97 HIS . 6152 1 98 98 HIS . 6152 1 99 99 HIS . 6152 1 100 100 HIS . 6152 1 101 101 HIS . 6152 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 6152 1 . SER 2 2 6152 1 . GLY 3 3 6152 1 . LEU 4 4 6152 1 . ARG 5 5 6152 1 . VAL 6 6 6152 1 . TYR 7 7 6152 1 . SER 8 8 6152 1 . THR 9 9 6152 1 . SER 10 10 6152 1 . VAL 11 11 6152 1 . THR 12 12 6152 1 . GLY 13 13 6152 1 . SER 14 14 6152 1 . ARG 15 15 6152 1 . GLU 16 16 6152 1 . ILE 17 17 6152 1 . LYS 18 18 6152 1 . SER 19 19 6152 1 . GLN 20 20 6152 1 . GLN 21 21 6152 1 . SER 22 22 6152 1 . GLU 23 23 6152 1 . VAL 24 24 6152 1 . THR 25 25 6152 1 . ARG 26 26 6152 1 . ILE 27 27 6152 1 . LEU 28 28 6152 1 . ASP 29 29 6152 1 . GLY 30 30 6152 1 . LYS 31 31 6152 1 . ARG 32 32 6152 1 . ILE 33 33 6152 1 . GLN 34 34 6152 1 . TYR 35 35 6152 1 . GLN 36 36 6152 1 . LEU 37 37 6152 1 . VAL 38 38 6152 1 . ASP 39 39 6152 1 . ILE 40 40 6152 1 . SER 41 41 6152 1 . GLN 42 42 6152 1 . ASP 43 43 6152 1 . ASN 44 44 6152 1 . ALA 45 45 6152 1 . LEU 46 46 6152 1 . ARG 47 47 6152 1 . ASP 48 48 6152 1 . GLU 49 49 6152 1 . MET 50 50 6152 1 . ARG 51 51 6152 1 . ALA 52 52 6152 1 . LEU 53 53 6152 1 . ALA 54 54 6152 1 . GLY 55 55 6152 1 . ASN 56 56 6152 1 . PRO 57 57 6152 1 . LYS 58 58 6152 1 . ALA 59 59 6152 1 . THR 60 60 6152 1 . PRO 61 61 6152 1 . PRO 62 62 6152 1 . GLN 63 63 6152 1 . ILE 64 64 6152 1 . VAL 65 65 6152 1 . ASN 66 66 6152 1 . GLY 67 67 6152 1 . ASP 68 68 6152 1 . GLN 69 69 6152 1 . TYR 70 70 6152 1 . CYS 71 71 6152 1 . GLY 72 72 6152 1 . ASP 73 73 6152 1 . TYR 74 74 6152 1 . GLU 75 75 6152 1 . LEU 76 76 6152 1 . PHE 77 77 6152 1 . VAL 78 78 6152 1 . GLU 79 79 6152 1 . ALA 80 80 6152 1 . VAL 81 81 6152 1 . GLU 82 82 6152 1 . GLN 83 83 6152 1 . ASN 84 84 6152 1 . THR 85 85 6152 1 . LEU 86 86 6152 1 . GLN 87 87 6152 1 . GLU 88 88 6152 1 . PHE 89 89 6152 1 . LEU 90 90 6152 1 . LYS 91 91 6152 1 . LEU 92 92 6152 1 . ALA 93 93 6152 1 . LEU 94 94 6152 1 . GLU 95 95 6152 1 . HIS 96 96 6152 1 . HIS 97 97 6152 1 . HIS 98 98 6152 1 . HIS 99 99 6152 1 . HIS 100 100 6152 1 . HIS 101 101 6152 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 6152 _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 $TIP . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6152 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 6152 _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 $TIP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6152 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6152 _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 'TUMOR INHIBITORY PROTIEIN;SH3 domain binding glutamic acid-rich protein-like 3' '[U-95% 13C; U-90% 15N]' . . 1 $TIP . . 2 1.5 2 mM . . . . 6152 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6152 1 3 NaCl . . . . . . . 100 . . mM . . . . 6152 1 4 H2O . . . . . . . 90 . . % . . . . 6152 1 5 D2O . . . . . . . 10 . . % . . . . 6152 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6152 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 pH 6152 1 temperature 295 1 K 6152 1 'ionic strength' 120 . mM 6152 1 pressure 1 . atm 6152 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6152 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details F.Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6152 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6152 _Software.ID 2 _Software.Name CNS _Software.Version 1.1 _Software.Details A.T.Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6152 2 refinement 6152 2 stop_ save_ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 6152 _Software.ID 3 _Software.Name sparky _Software.Version SPARKY3 _Software.Details T.D.Goddard&D.G.Kneller loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6152 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6152 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6152 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 600 . . . 6152 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6152 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6152 1 2 '3D HCCH COSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6152 1 3 '3D 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6152 1 4 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6152 1 5 '3D CBCA(CO)NH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6152 1 6 '3D CBCANH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6152 1 7 '3D HNCO' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6152 1 8 '3D H(CCO)NH TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6152 1 9 '3D C(CO)NH TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6152 1 10 '3D HCCH TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6152 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6152 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6152 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6152 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6152 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6152 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6152 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CA C 13 57.71 0.2 . . . . . . 2 . . . 6152 1 2 . 1 1 2 2 SER CB C 13 64.426 0.2 . . . . . . 2 . . . 6152 1 3 . 1 1 2 2 SER C C 13 174.679 0.2 . . . . . . 2 . . . 6152 1 4 . 1 1 3 3 GLY CA C 13 45.11 0.2 . . . . . . 3 . . . 6152 1 5 . 1 1 3 3 GLY C C 13 174.795 0.2 . . . . . . 3 . . . 6152 1 6 . 1 1 3 3 GLY HA2 H 1 4.083 0.02 . . . . . . 3 . . . 6152 1 7 . 1 1 3 3 GLY HA3 H 1 3.956 0.02 . . . . . . 3 . . . 6152 1 8 . 1 1 3 3 GLY H H 1 8.404 0.02 . . . . . . 3 . . . 6152 1 9 . 1 1 3 3 GLY N N 15 111 0.2 . . . . . . 3 . . . 6152 1 10 . 1 1 4 4 LEU CA C 13 55.828 0.2 . . . . . . 4 . . . 6152 1 11 . 1 1 4 4 LEU CB C 13 43.001 0.2 . . . . . . 4 . . . 6152 1 12 . 1 1 4 4 LEU CD1 C 13 26.068 0.2 . . . . . . 4 . . . 6152 1 13 . 1 1 4 4 LEU CD2 C 13 25.774 0.2 . . . . . . 4 . . . 6152 1 14 . 1 1 4 4 LEU CG C 13 27.754 0.2 . . . . . . 4 . . . 6152 1 15 . 1 1 4 4 LEU C C 13 177.02 0.2 . . . . . . 4 . . . 6152 1 16 . 1 1 4 4 LEU HA H 1 4.782 0.02 . . . . . . 4 . . . 6152 1 17 . 1 1 4 4 LEU HB2 H 1 1.73 0.02 . . . . . . 4 . . . 6152 1 18 . 1 1 4 4 LEU HB3 H 1 1.689 0.02 . . . . . . 4 . . . 6152 1 19 . 1 1 4 4 LEU HD11 H 1 0.961 0.02 . . . . . . 4 . . . 6152 1 20 . 1 1 4 4 LEU HD12 H 1 0.961 0.02 . . . . . . 4 . . . 6152 1 21 . 1 1 4 4 LEU HD13 H 1 0.961 0.02 . . . . . . 4 . . . 6152 1 22 . 1 1 4 4 LEU HD21 H 1 0.948 0.02 . . . . . . 4 . . . 6152 1 23 . 1 1 4 4 LEU HD22 H 1 0.948 0.02 . . . . . . 4 . . . 6152 1 24 . 1 1 4 4 LEU HD23 H 1 0.948 0.02 . . . . . . 4 . . . 6152 1 25 . 1 1 4 4 LEU HG H 1 1.549 0.02 . . . . . . 4 . . . 6152 1 26 . 1 1 4 4 LEU H H 1 8.521 0.02 . . . . . . 4 . . . 6152 1 27 . 1 1 4 4 LEU N N 15 124.977 0.2 . . . . . . 4 . . . 6152 1 28 . 1 1 5 5 ARG CA C 13 55.008 0.2 . . . . . . 5 . . . 6152 1 29 . 1 1 5 5 ARG CB C 13 33.538 0.2 . . . . . . 5 . . . 6152 1 30 . 1 1 5 5 ARG CD C 13 43.698 0.2 . . . . . . 5 . . . 6152 1 31 . 1 1 5 5 ARG CG C 13 26.434 0.2 . . . . . . 5 . . . 6152 1 32 . 1 1 5 5 ARG C C 13 173.649 0.2 . . . . . . 5 . . . 6152 1 33 . 1 1 5 5 ARG HA H 1 5.335 0.02 . . . . . . 5 . . . 6152 1 34 . 1 1 5 5 ARG HB2 H 1 1.62 0.02 . . . . . . 5 . . . 6152 1 35 . 1 1 5 5 ARG HB3 H 1 1.297 0.02 . . . . . . 5 . . . 6152 1 36 . 1 1 5 5 ARG HD2 H 1 3.082 0.02 . . . . . . 5 . . . 6152 1 37 . 1 1 5 5 ARG HD3 H 1 2.809 0.02 . . . . . . 5 . . . 6152 1 38 . 1 1 5 5 ARG HG2 H 1 1.277 0.02 . . . . . . 5 . . . 6152 1 39 . 1 1 5 5 ARG HG3 H 1 1.642 0.02 . . . . . . 5 . . . 6152 1 40 . 1 1 5 5 ARG H H 1 9.604 0.02 . . . . . . 5 . . . 6152 1 41 . 1 1 5 5 ARG N N 15 125.85 0.2 . . . . . . 5 . . . 6152 1 42 . 1 1 6 6 VAL CA C 13 60.609 0.2 . . . . . . 6 . . . 6152 1 43 . 1 1 6 6 VAL CB C 13 33.581 0.2 . . . . . . 6 . . . 6152 1 44 . 1 1 6 6 VAL CG1 C 13 20.258 0.2 . . . . . . 6 . . . 6152 1 45 . 1 1 6 6 VAL CG2 C 13 20.543 0.2 . . . . . . 6 . . . 6152 1 46 . 1 1 6 6 VAL C C 13 175.454 0.2 . . . . . . 6 . . . 6152 1 47 . 1 1 6 6 VAL HA H 1 4.579 0.02 . . . . . . 6 . . . 6152 1 48 . 1 1 6 6 VAL HB H 1 1.844 0.02 . . . . . . 6 . . . 6152 1 49 . 1 1 6 6 VAL HG11 H 1 0.564 0.02 . . . . . . 6 . . . 6152 1 50 . 1 1 6 6 VAL HG12 H 1 0.564 0.02 . . . . . . 6 . . . 6152 1 51 . 1 1 6 6 VAL HG13 H 1 0.564 0.02 . . . . . . 6 . . . 6152 1 52 . 1 1 6 6 VAL HG21 H 1 0.382 0.02 . . . . . . 6 . . . 6152 1 53 . 1 1 6 6 VAL HG22 H 1 0.382 0.02 . . . . . . 6 . . . 6152 1 54 . 1 1 6 6 VAL HG23 H 1 0.382 0.02 . . . . . . 6 . . . 6152 1 55 . 1 1 6 6 VAL H H 1 8.639 0.02 . . . . . . 6 . . . 6152 1 56 . 1 1 6 6 VAL N N 15 121.984 0.2 . . . . . . 6 . . . 6152 1 57 . 1 1 7 7 TYR CA C 13 59.245 0.2 . . . . . . 7 . . . 6152 1 58 . 1 1 7 7 TYR CB C 13 39.465 0.2 . . . . . . 7 . . . 6152 1 59 . 1 1 7 7 TYR C C 13 174.617 0.2 . . . . . . 7 . . . 6152 1 60 . 1 1 7 7 TYR HA H 1 4.808 0.02 . . . . . . 7 . . . 6152 1 61 . 1 1 7 7 TYR HB2 H 1 2.944 0.02 . . . . . . 7 . . . 6152 1 62 . 1 1 7 7 TYR HB3 H 1 2.882 0.02 . . . . . . 7 . . . 6152 1 63 . 1 1 7 7 TYR HD1 H 1 6.975 0.02 . . . . . . 7 . . . 6152 1 64 . 1 1 7 7 TYR HE1 H 1 6.718 0.02 . . . . . . 7 . . . 6152 1 65 . 1 1 7 7 TYR H H 1 9.407 0.02 . . . . . . 7 . . . 6152 1 66 . 1 1 7 7 TYR N N 15 126.836 0.2 . . . . . . 7 . . . 6152 1 67 . 1 1 8 8 SER CA C 13 56.864 0.2 . . . . . . 8 . . . 6152 1 68 . 1 1 8 8 SER CB C 13 68.081 0.2 . . . . . . 8 . . . 6152 1 69 . 1 1 8 8 SER C C 13 171.922 0.2 . . . . . . 8 . . . 6152 1 70 . 1 1 8 8 SER HA H 1 4.998 0.02 . . . . . . 8 . . . 6152 1 71 . 1 1 8 8 SER HB2 H 1 3.564 0.02 . . . . . . 8 . . . 6152 1 72 . 1 1 8 8 SER HB3 H 1 3.434 0.02 . . . . . . 8 . . . 6152 1 73 . 1 1 8 8 SER H H 1 9.084 0.02 . . . . . . 8 . . . 6152 1 74 . 1 1 8 8 SER N N 15 118.34 0.2 . . . . . . 8 . . . 6152 1 75 . 1 1 9 9 THR CA C 13 59.07 0.2 . . . . . . 9 . . . 6152 1 76 . 1 1 9 9 THR CB C 13 70.557 0.2 . . . . . . 9 . . . 6152 1 77 . 1 1 9 9 THR CG2 C 13 20.339 0.2 . . . . . . 9 . . . 6152 1 78 . 1 1 9 9 THR C C 13 173.565 0.2 . . . . . . 9 . . . 6152 1 79 . 1 1 9 9 THR HA H 1 5.319 0.02 . . . . . . 9 . . . 6152 1 80 . 1 1 9 9 THR HB H 1 3.985 0.02 . . . . . . 9 . . . 6152 1 81 . 1 1 9 9 THR HG21 H 1 1.197 0.02 . . . . . . 9 . . . 6152 1 82 . 1 1 9 9 THR HG22 H 1 1.197 0.02 . . . . . . 9 . . . 6152 1 83 . 1 1 9 9 THR HG23 H 1 1.197 0.02 . . . . . . 9 . . . 6152 1 84 . 1 1 9 9 THR H H 1 9.668 0.02 . . . . . . 9 . . . 6152 1 85 . 1 1 9 9 THR N N 15 113.185 0.2 . . . . . . 9 . . . 6152 1 86 . 1 1 10 10 SER CA C 13 58.919 0.2 . . . . . . 10 . . . 6152 1 87 . 1 1 10 10 SER CB C 13 63.118 0.2 . . . . . . 10 . . . 6152 1 88 . 1 1 10 10 SER C C 13 175.064 0.2 . . . . . . 10 . . . 6152 1 89 . 1 1 10 10 SER HA H 1 4.372 0.02 . . . . . . 10 . . . 6152 1 90 . 1 1 10 10 SER HB2 H 1 3.956 0.02 . . . . . . 10 . . . 6152 1 91 . 1 1 10 10 SER HB3 H 1 3.685 0.02 . . . . . . 10 . . . 6152 1 92 . 1 1 10 10 SER H H 1 8.169 0.02 . . . . . . 10 . . . 6152 1 93 . 1 1 10 10 SER N N 15 122.71 0.2 . . . . . . 10 . . . 6152 1 94 . 1 1 11 11 VAL CA C 13 61.554 0.2 . . . . . . 11 . . . 6152 1 95 . 1 1 11 11 VAL CB C 13 33.216 0.2 . . . . . . 11 . . . 6152 1 96 . 1 1 11 11 VAL CG1 C 13 20.643 0.2 . . . . . . 11 . . . 6152 1 97 . 1 1 11 11 VAL CG2 C 13 20.022 0.2 . . . . . . 11 . . . 6152 1 98 . 1 1 11 11 VAL C C 13 174.578 0.2 . . . . . . 11 . . . 6152 1 99 . 1 1 11 11 VAL HA H 1 4.336 0.02 . . . . . . 11 . . . 6152 1 100 . 1 1 11 11 VAL HB H 1 1.936 0.02 . . . . . . 11 . . . 6152 1 101 . 1 1 11 11 VAL HG11 H 1 0.846 0.02 . . . . . . 11 . . . 6152 1 102 . 1 1 11 11 VAL HG12 H 1 0.846 0.02 . . . . . . 11 . . . 6152 1 103 . 1 1 11 11 VAL HG13 H 1 0.846 0.02 . . . . . . 11 . . . 6152 1 104 . 1 1 11 11 VAL HG21 H 1 0.866 0.02 . . . . . . 11 . . . 6152 1 105 . 1 1 11 11 VAL HG22 H 1 0.866 0.02 . . . . . . 11 . . . 6152 1 106 . 1 1 11 11 VAL HG23 H 1 0.866 0.02 . . . . . . 11 . . . 6152 1 107 . 1 1 11 11 VAL H H 1 7.786 0.02 . . . . . . 11 . . . 6152 1 108 . 1 1 11 11 VAL N N 15 122.058 0.2 . . . . . . 11 . . . 6152 1 109 . 1 1 12 12 THR CA C 13 61.403 0.2 . . . . . . 12 . . . 6152 1 110 . 1 1 12 12 THR CB C 13 67.713 0.2 . . . . . . 12 . . . 6152 1 111 . 1 1 12 12 THR CG2 C 13 20.236 0.2 . . . . . . 12 . . . 6152 1 112 . 1 1 12 12 THR C C 13 172.4 0.2 . . . . . . 12 . . . 6152 1 113 . 1 1 12 12 THR HA H 1 4.389 0.02 . . . . . . 12 . . . 6152 1 114 . 1 1 12 12 THR HB H 1 4.376 0.02 . . . . . . 12 . . . 6152 1 115 . 1 1 12 12 THR HG21 H 1 0.969 0.02 . . . . . . 12 . . . 6152 1 116 . 1 1 12 12 THR HG22 H 1 0.969 0.02 . . . . . . 12 . . . 6152 1 117 . 1 1 12 12 THR HG23 H 1 0.969 0.02 . . . . . . 12 . . . 6152 1 118 . 1 1 12 12 THR H H 1 7.975 0.02 . . . . . . 12 . . . 6152 1 119 . 1 1 12 12 THR N N 15 119.847 0.2 . . . . . . 12 . . . 6152 1 120 . 1 1 13 13 GLY CA C 13 45.001 0.2 . . . . . . 13 . . . 6152 1 121 . 1 1 13 13 GLY C C 13 174.527 0.2 . . . . . . 13 . . . 6152 1 122 . 1 1 13 13 GLY HA2 H 1 4.277 0.02 . . . . . . 13 . . . 6152 1 123 . 1 1 13 13 GLY HA3 H 1 3.667 0.02 . . . . . . 13 . . . 6152 1 124 . 1 1 13 13 GLY H H 1 8.528 0.02 . . . . . . 13 . . . 6152 1 125 . 1 1 13 13 GLY N N 15 114.65 0.2 . . . . . . 13 . . . 6152 1 126 . 1 1 14 14 SER CA C 13 56.583 0.2 . . . . . . 14 . . . 6152 1 127 . 1 1 14 14 SER CB C 13 63.293 0.2 . . . . . . 14 . . . 6152 1 128 . 1 1 14 14 SER C C 13 175.245 0.2 . . . . . . 14 . . . 6152 1 129 . 1 1 14 14 SER HA H 1 4.544 0.02 . . . . . . 14 . . . 6152 1 130 . 1 1 14 14 SER HB2 H 1 3.929 0.02 . . . . . . 14 . . . 6152 1 131 . 1 1 14 14 SER H H 1 8.359 0.02 . . . . . . 14 . . . 6152 1 132 . 1 1 14 14 SER N N 15 116.776 0.2 . . . . . . 14 . . . 6152 1 133 . 1 1 15 15 ARG CA C 13 59.047 0.2 . . . . . . 15 . . . 6152 1 134 . 1 1 15 15 ARG CB C 13 29.818 0.2 . . . . . . 15 . . . 6152 1 135 . 1 1 15 15 ARG CD C 13 43.303 0.2 . . . . . . 15 . . . 6152 1 136 . 1 1 15 15 ARG CG C 13 27.55 0.2 . . . . . . 15 . . . 6152 1 137 . 1 1 15 15 ARG C C 13 178.526 0.2 . . . . . . 15 . . . 6152 1 138 . 1 1 15 15 ARG HA H 1 3.911 0.02 . . . . . . 15 . . . 6152 1 139 . 1 1 15 15 ARG HB2 H 1 1.82 0.02 . . . . . . 15 . . . 6152 1 140 . 1 1 15 15 ARG HD2 H 1 3.195 0.02 . . . . . . 15 . . . 6152 1 141 . 1 1 15 15 ARG HG2 H 1 1.576 0.02 . . . . . . 15 . . . 6152 1 142 . 1 1 15 15 ARG H H 1 8.998 0.02 . . . . . . 15 . . . 6152 1 143 . 1 1 15 15 ARG N N 15 130.494 0.2 . . . . . . 15 . . . 6152 1 144 . 1 1 16 16 GLU CA C 13 60.094 0.2 . . . . . . 16 . . . 6152 1 145 . 1 1 16 16 GLU CB C 13 29.319 0.2 . . . . . . 16 . . . 6152 1 146 . 1 1 16 16 GLU CG C 13 37.185 0.2 . . . . . . 16 . . . 6152 1 147 . 1 1 16 16 GLU C C 13 177.673 0.2 . . . . . . 16 . . . 6152 1 148 . 1 1 16 16 GLU HA H 1 3.948 0.02 . . . . . . 16 . . . 6152 1 149 . 1 1 16 16 GLU HB2 H 1 1.89 0.02 . . . . . . 16 . . . 6152 1 150 . 1 1 16 16 GLU HB3 H 1 1.791 0.02 . . . . . . 16 . . . 6152 1 151 . 1 1 16 16 GLU HG2 H 1 2.138 0.02 . . . . . . 16 . . . 6152 1 152 . 1 1 16 16 GLU H H 1 8.394 0.02 . . . . . . 16 . . . 6152 1 153 . 1 1 16 16 GLU N N 15 120.867 0.2 . . . . . . 16 . . . 6152 1 154 . 1 1 17 17 ILE CA C 13 65.525 0.2 . . . . . . 17 . . . 6152 1 155 . 1 1 17 17 ILE CB C 13 37.982 0.2 . . . . . . 17 . . . 6152 1 156 . 1 1 17 17 ILE CD1 C 13 13.146 0.2 . . . . . . 17 . . . 6152 1 157 . 1 1 17 17 ILE CG1 C 13 28.747 0.2 . . . . . . 17 . . . 6152 1 158 . 1 1 17 17 ILE CG2 C 13 16.667 0.2 . . . . . . 17 . . . 6152 1 159 . 1 1 17 17 ILE C C 13 178.387 0.2 . . . . . . 17 . . . 6152 1 160 . 1 1 17 17 ILE HA H 1 3.541 0.02 . . . . . . 17 . . . 6152 1 161 . 1 1 17 17 ILE HB H 1 1.669 0.02 . . . . . . 17 . . . 6152 1 162 . 1 1 17 17 ILE HD11 H 1 0.943 0.02 . . . . . . 17 . . . 6152 1 163 . 1 1 17 17 ILE HD12 H 1 0.943 0.02 . . . . . . 17 . . . 6152 1 164 . 1 1 17 17 ILE HD13 H 1 0.943 0.02 . . . . . . 17 . . . 6152 1 165 . 1 1 17 17 ILE HG12 H 1 1.668 0.02 . . . . . . 17 . . . 6152 1 166 . 1 1 17 17 ILE HG13 H 1 1.225 0.02 . . . . . . 17 . . . 6152 1 167 . 1 1 17 17 ILE HG21 H 1 0.695 0.02 . . . . . . 17 . . . 6152 1 168 . 1 1 17 17 ILE HG22 H 1 0.695 0.02 . . . . . . 17 . . . 6152 1 169 . 1 1 17 17 ILE HG23 H 1 0.695 0.02 . . . . . . 17 . . . 6152 1 170 . 1 1 17 17 ILE H H 1 7.72 0.02 . . . . . . 17 . . . 6152 1 171 . 1 1 17 17 ILE N N 15 119.822 0.2 . . . . . . 17 . . . 6152 1 172 . 1 1 18 18 LYS CA C 13 60.235 0.2 . . . . . . 18 . . . 6152 1 173 . 1 1 18 18 LYS CB C 13 32.362 0.2 . . . . . . 18 . . . 6152 1 174 . 1 1 18 18 LYS CD C 13 29.381 0.2 . . . . . . 18 . . . 6152 1 175 . 1 1 18 18 LYS CE C 13 42.007 0.2 . . . . . . 18 . . . 6152 1 176 . 1 1 18 18 LYS CG C 13 25.612 0.2 . . . . . . 18 . . . 6152 1 177 . 1 1 18 18 LYS C C 13 179.63 0.2 . . . . . . 18 . . . 6152 1 178 . 1 1 18 18 LYS HA H 1 3.873 0.02 . . . . . . 18 . . . 6152 1 179 . 1 1 18 18 LYS HB2 H 1 1.812 0.02 . . . . . . 18 . . . 6152 1 180 . 1 1 18 18 LYS HB3 H 1 1.75 0.02 . . . . . . 18 . . . 6152 1 181 . 1 1 18 18 LYS HD2 H 1 1.602 0.02 . . . . . . 18 . . . 6152 1 182 . 1 1 18 18 LYS HE2 H 1 2.85 0.02 . . . . . . 18 . . . 6152 1 183 . 1 1 18 18 LYS HE3 H 1 2.906 0.02 . . . . . . 18 . . . 6152 1 184 . 1 1 18 18 LYS HG2 H 1 1.538 0.02 . . . . . . 18 . . . 6152 1 185 . 1 1 18 18 LYS HG3 H 1 1.365 0.02 . . . . . . 18 . . . 6152 1 186 . 1 1 18 18 LYS H H 1 7.395 0.02 . . . . . . 18 . . . 6152 1 187 . 1 1 18 18 LYS N N 15 116.793 0.2 . . . . . . 18 . . . 6152 1 188 . 1 1 19 19 SER CA C 13 61.522 0.2 . . . . . . 19 . . . 6152 1 189 . 1 1 19 19 SER CB C 13 63.232 0.2 . . . . . . 19 . . . 6152 1 190 . 1 1 19 19 SER C C 13 176.973 0.2 . . . . . . 19 . . . 6152 1 191 . 1 1 19 19 SER HA H 1 4.128 0.02 . . . . . . 19 . . . 6152 1 192 . 1 1 19 19 SER HB2 H 1 3.89 0.02 . . . . . . 19 . . . 6152 1 193 . 1 1 19 19 SER H H 1 8.175 0.02 . . . . . . 19 . . . 6152 1 194 . 1 1 19 19 SER N N 15 115.037 0.2 . . . . . . 19 . . . 6152 1 195 . 1 1 20 20 GLN CA C 13 58.957 0.2 . . . . . . 20 . . . 6152 1 196 . 1 1 20 20 GLN CB C 13 28.219 0.2 . . . . . . 20 . . . 6152 1 197 . 1 1 20 20 GLN CD C 13 178.854 0.2 . . . . . . 20 . . . 6152 1 198 . 1 1 20 20 GLN CG C 13 32.995 0.2 . . . . . . 20 . . . 6152 1 199 . 1 1 20 20 GLN C C 13 178.926 0.2 . . . . . . 20 . . . 6152 1 200 . 1 1 20 20 GLN HA H 1 3.52 0.02 . . . . . . 20 . . . 6152 1 201 . 1 1 20 20 GLN HB2 H 1 1.826 0.02 . . . . . . 20 . . . 6152 1 202 . 1 1 20 20 GLN HB3 H 1 1.116 0.02 . . . . . . 20 . . . 6152 1 203 . 1 1 20 20 GLN HE21 H 1 6.38 0.02 . . . . . . 20 . . . 6152 1 204 . 1 1 20 20 GLN HE22 H 1 6.845 0.02 . . . . . . 20 . . . 6152 1 205 . 1 1 20 20 GLN HG2 H 1 0.367 0.02 . . . . . . 20 . . . 6152 1 206 . 1 1 20 20 GLN HG3 H 1 2.261 0.02 . . . . . . 20 . . . 6152 1 207 . 1 1 20 20 GLN H H 1 8.294 0.02 . . . . . . 20 . . . 6152 1 208 . 1 1 20 20 GLN N N 15 121.895 0.2 . . . . . . 20 . . . 6152 1 209 . 1 1 20 20 GLN NE2 N 15 107.084 0.2 . . . . . . 20 . . . 6152 1 210 . 1 1 21 21 GLN CA C 13 59.498 0.2 . . . . . . 21 . . . 6152 1 211 . 1 1 21 21 GLN CB C 13 27.3 0.2 . . . . . . 21 . . . 6152 1 212 . 1 1 21 21 GLN CD C 13 178.204 0.2 . . . . . . 21 . . . 6152 1 213 . 1 1 21 21 GLN CG C 13 35.099 0.2 . . . . . . 21 . . . 6152 1 214 . 1 1 21 21 GLN C C 13 177.536 0.2 . . . . . . 21 . . . 6152 1 215 . 1 1 21 21 GLN HA H 1 3.691 0.02 . . . . . . 21 . . . 6152 1 216 . 1 1 21 21 GLN HB2 H 1 2.063 0.02 . . . . . . 21 . . . 6152 1 217 . 1 1 21 21 GLN HB3 H 1 1.995 0.02 . . . . . . 21 . . . 6152 1 218 . 1 1 21 21 GLN HE21 H 1 7.151 0.02 . . . . . . 21 . . . 6152 1 219 . 1 1 21 21 GLN HE22 H 1 7.33 0.02 . . . . . . 21 . . . 6152 1 220 . 1 1 21 21 GLN HG2 H 1 2.598 0.02 . . . . . . 21 . . . 6152 1 221 . 1 1 21 21 GLN HG3 H 1 2.372 0.02 . . . . . . 21 . . . 6152 1 222 . 1 1 21 21 GLN H H 1 8.527 0.02 . . . . . . 21 . . . 6152 1 223 . 1 1 21 21 GLN N N 15 116.406 0.2 . . . . . . 21 . . . 6152 1 224 . 1 1 21 21 GLN NE2 N 15 106.058 0.2 . . . . . . 21 . . . 6152 1 225 . 1 1 22 22 SER CA C 13 61.299 0.2 . . . . . . 22 . . . 6152 1 226 . 1 1 22 22 SER CB C 13 62.845 0.2 . . . . . . 22 . . . 6152 1 227 . 1 1 22 22 SER C C 13 175.774 0.2 . . . . . . 22 . . . 6152 1 228 . 1 1 22 22 SER HA H 1 4.248 0.02 . . . . . . 22 . . . 6152 1 229 . 1 1 22 22 SER HB2 H 1 3.981 0.02 . . . . . . 22 . . . 6152 1 230 . 1 1 22 22 SER H H 1 7.727 0.02 . . . . . . 22 . . . 6152 1 231 . 1 1 22 22 SER N N 15 114.568 0.2 . . . . . . 22 . . . 6152 1 232 . 1 1 23 23 GLU CA C 13 59.31 0.2 . . . . . . 23 . . . 6152 1 233 . 1 1 23 23 GLU CB C 13 30.487 0.2 . . . . . . 23 . . . 6152 1 234 . 1 1 23 23 GLU CG C 13 36.345 0.2 . . . . . . 23 . . . 6152 1 235 . 1 1 23 23 GLU C C 13 177.872 0.2 . . . . . . 23 . . . 6152 1 236 . 1 1 23 23 GLU HA H 1 4.197 0.02 . . . . . . 23 . . . 6152 1 237 . 1 1 23 23 GLU HB2 H 1 2.304 0.02 . . . . . . 23 . . . 6152 1 238 . 1 1 23 23 GLU HG2 H 1 2.405 0.02 . . . . . . 23 . . . 6152 1 239 . 1 1 23 23 GLU H H 1 7.961 0.02 . . . . . . 23 . . . 6152 1 240 . 1 1 23 23 GLU N N 15 122.829 0.2 . . . . . . 23 . . . 6152 1 241 . 1 1 24 24 VAL CA C 13 65.779 0.2 . . . . . . 24 . . . 6152 1 242 . 1 1 24 24 VAL CB C 13 31.275 0.2 . . . . . . 24 . . . 6152 1 243 . 1 1 24 24 VAL CG1 C 13 22.083 0.2 . . . . . . 24 . . . 6152 1 244 . 1 1 24 24 VAL CG2 C 13 20.966 0.2 . . . . . . 24 . . . 6152 1 245 . 1 1 24 24 VAL C C 13 177.6 0.2 . . . . . . 24 . . . 6152 1 246 . 1 1 24 24 VAL HA H 1 3.29 0.02 . . . . . . 24 . . . 6152 1 247 . 1 1 24 24 VAL HB H 1 1.818 0.02 . . . . . . 24 . . . 6152 1 248 . 1 1 24 24 VAL HG11 H 1 0.505 0.02 . . . . . . 24 . . . 6152 1 249 . 1 1 24 24 VAL HG12 H 1 0.505 0.02 . . . . . . 24 . . . 6152 1 250 . 1 1 24 24 VAL HG13 H 1 0.505 0.02 . . . . . . 24 . . . 6152 1 251 . 1 1 24 24 VAL HG21 H 1 0.094 0.02 . . . . . . 24 . . . 6152 1 252 . 1 1 24 24 VAL HG22 H 1 0.094 0.02 . . . . . . 24 . . . 6152 1 253 . 1 1 24 24 VAL HG23 H 1 0.094 0.02 . . . . . . 24 . . . 6152 1 254 . 1 1 24 24 VAL H H 1 7.651 0.02 . . . . . . 24 . . . 6152 1 255 . 1 1 24 24 VAL N N 15 116.498 0.2 . . . . . . 24 . . . 6152 1 256 . 1 1 25 25 THR CA C 13 65.665 0.2 . . . . . . 25 . . . 6152 1 257 . 1 1 25 25 THR CB C 13 67.578 0.2 . . . . . . 25 . . . 6152 1 258 . 1 1 25 25 THR CG2 C 13 22.085 0.2 . . . . . . 25 . . . 6152 1 259 . 1 1 25 25 THR C C 13 176.206 0.2 . . . . . . 25 . . . 6152 1 260 . 1 1 25 25 THR HA H 1 3.524 0.02 . . . . . . 25 . . . 6152 1 261 . 1 1 25 25 THR HB H 1 4.461 0.02 . . . . . . 25 . . . 6152 1 262 . 1 1 25 25 THR HG21 H 1 1.105 0.02 . . . . . . 25 . . . 6152 1 263 . 1 1 25 25 THR HG22 H 1 1.105 0.02 . . . . . . 25 . . . 6152 1 264 . 1 1 25 25 THR HG23 H 1 1.105 0.02 . . . . . . 25 . . . 6152 1 265 . 1 1 25 25 THR H H 1 7.696 0.02 . . . . . . 25 . . . 6152 1 266 . 1 1 25 25 THR N N 15 107.57 0.2 . . . . . . 25 . . . 6152 1 267 . 1 1 26 26 ARG CA C 13 59.856 0.2 . . . . . . 26 . . . 6152 1 268 . 1 1 26 26 ARG CB C 13 30.367 0.2 . . . . . . 26 . . . 6152 1 269 . 1 1 26 26 ARG CD C 13 43.364 0.2 . . . . . . 26 . . . 6152 1 270 . 1 1 26 26 ARG CG C 13 27.415 0.2 . . . . . . 26 . . . 6152 1 271 . 1 1 26 26 ARG HA H 1 4.112 0.02 . . . . . . 26 . . . 6152 1 272 . 1 1 26 26 ARG HB2 H 1 2.008 0.02 . . . . . . 26 . . . 6152 1 273 . 1 1 26 26 ARG HD2 H 1 3.312 0.02 . . . . . . 26 . . . 6152 1 274 . 1 1 26 26 ARG HD3 H 1 3.135 0.02 . . . . . . 26 . . . 6152 1 275 . 1 1 26 26 ARG HG2 H 1 1.707 0.02 . . . . . . 26 . . . 6152 1 276 . 1 1 26 26 ARG HG3 H 1 1.559 0.02 . . . . . . 26 . . . 6152 1 277 . 1 1 26 26 ARG H H 1 8.201 0.02 . . . . . . 26 . . . 6152 1 278 . 1 1 26 26 ARG N N 15 122.626 0.2 . . . . . . 26 . . . 6152 1 279 . 1 1 27 27 ILE CA C 13 64.562 0.2 . . . . . . 27 . . . 6152 1 280 . 1 1 27 27 ILE CB C 13 37.327 0.2 . . . . . . 27 . . . 6152 1 281 . 1 1 27 27 ILE CD1 C 13 13.215 0.2 . . . . . . 27 . . . 6152 1 282 . 1 1 27 27 ILE CG1 C 13 29.918 0.2 . . . . . . 27 . . . 6152 1 283 . 1 1 27 27 ILE CG2 C 13 16.877 0.2 . . . . . . 27 . . . 6152 1 284 . 1 1 27 27 ILE C C 13 179.201 0.2 . . . . . . 27 . . . 6152 1 285 . 1 1 27 27 ILE HA H 1 3.85 0.02 . . . . . . 27 . . . 6152 1 286 . 1 1 27 27 ILE HB H 1 2.165 0.02 . . . . . . 27 . . . 6152 1 287 . 1 1 27 27 ILE HD11 H 1 0.972 0.02 . . . . . . 27 . . . 6152 1 288 . 1 1 27 27 ILE HD12 H 1 0.972 0.02 . . . . . . 27 . . . 6152 1 289 . 1 1 27 27 ILE HD13 H 1 0.972 0.02 . . . . . . 27 . . . 6152 1 290 . 1 1 27 27 ILE HG12 H 1 1.892 0.02 . . . . . . 27 . . . 6152 1 291 . 1 1 27 27 ILE HG13 H 1 1.272 0.02 . . . . . . 27 . . . 6152 1 292 . 1 1 27 27 ILE HG21 H 1 0.859 0.02 . . . . . . 27 . . . 6152 1 293 . 1 1 27 27 ILE HG22 H 1 0.859 0.02 . . . . . . 27 . . . 6152 1 294 . 1 1 27 27 ILE HG23 H 1 0.859 0.02 . . . . . . 27 . . . 6152 1 295 . 1 1 27 27 ILE H H 1 8.165 0.02 . . . . . . 27 . . . 6152 1 296 . 1 1 27 27 ILE N N 15 121.121 0.2 . . . . . . 27 . . . 6152 1 297 . 1 1 28 28 LEU CA C 13 59.084 0.2 . . . . . . 28 . . . 6152 1 298 . 1 1 28 28 LEU CB C 13 41.369 0.2 . . . . . . 28 . . . 6152 1 299 . 1 1 28 28 LEU CD1 C 13 23.596 0.2 . . . . . . 28 . . . 6152 1 300 . 1 1 28 28 LEU CD2 C 13 25.592 0.2 . . . . . . 28 . . . 6152 1 301 . 1 1 28 28 LEU CG C 13 26.309 0.2 . . . . . . 28 . . . 6152 1 302 . 1 1 28 28 LEU C C 13 179.346 0.2 . . . . . . 28 . . . 6152 1 303 . 1 1 28 28 LEU HA H 1 3.914 0.02 . . . . . . 28 . . . 6152 1 304 . 1 1 28 28 LEU HB2 H 1 1.705 0.02 . . . . . . 28 . . . 6152 1 305 . 1 1 28 28 LEU HB3 H 1 1.407 0.02 . . . . . . 28 . . . 6152 1 306 . 1 1 28 28 LEU HD11 H 1 0.797 0.02 . . . . . . 28 . . . 6152 1 307 . 1 1 28 28 LEU HD12 H 1 0.797 0.02 . . . . . . 28 . . . 6152 1 308 . 1 1 28 28 LEU HD13 H 1 0.797 0.02 . . . . . . 28 . . . 6152 1 309 . 1 1 28 28 LEU HD21 H 1 0.036 0.02 . . . . . . 28 . . . 6152 1 310 . 1 1 28 28 LEU HD22 H 1 0.036 0.02 . . . . . . 28 . . . 6152 1 311 . 1 1 28 28 LEU HD23 H 1 0.036 0.02 . . . . . . 28 . . . 6152 1 312 . 1 1 28 28 LEU HG H 1 1.952 0.02 . . . . . . 28 . . . 6152 1 313 . 1 1 28 28 LEU H H 1 8.216 0.02 . . . . . . 28 . . . 6152 1 314 . 1 1 28 28 LEU N N 15 119.726 0.2 . . . . . . 28 . . . 6152 1 315 . 1 1 29 29 ASP CA C 13 57.385 0.2 . . . . . . 29 . . . 6152 1 316 . 1 1 29 29 ASP CB C 13 39.594 0.2 . . . . . . 29 . . . 6152 1 317 . 1 1 29 29 ASP C C 13 181.609 0.2 . . . . . . 29 . . . 6152 1 318 . 1 1 29 29 ASP HA H 1 4.604 0.02 . . . . . . 29 . . . 6152 1 319 . 1 1 29 29 ASP HB2 H 1 2.936 0.02 . . . . . . 29 . . . 6152 1 320 . 1 1 29 29 ASP HB3 H 1 2.659 0.02 . . . . . . 29 . . . 6152 1 321 . 1 1 29 29 ASP H H 1 9.104 0.02 . . . . . . 29 . . . 6152 1 322 . 1 1 29 29 ASP N N 15 119.113 0.2 . . . . . . 29 . . . 6152 1 323 . 1 1 30 30 GLY CA C 13 46.938 0.2 . . . . . . 30 . . . 6152 1 324 . 1 1 30 30 GLY C C 13 175.595 0.2 . . . . . . 30 . . . 6152 1 325 . 1 1 30 30 GLY HA2 H 1 3.966 0.02 . . . . . . 30 . . . 6152 1 326 . 1 1 30 30 GLY H H 1 8.298 0.02 . . . . . . 30 . . . 6152 1 327 . 1 1 30 30 GLY N N 15 109.37 0.2 . . . . . . 30 . . . 6152 1 328 . 1 1 31 31 LYS CA C 13 55.535 0.2 . . . . . . 31 . . . 6152 1 329 . 1 1 31 31 LYS CB C 13 33.304 0.2 . . . . . . 31 . . . 6152 1 330 . 1 1 31 31 LYS CD C 13 28.704 0.2 . . . . . . 31 . . . 6152 1 331 . 1 1 31 31 LYS CE C 13 42.068 0.2 . . . . . . 31 . . . 6152 1 332 . 1 1 31 31 LYS CG C 13 25.283 0.2 . . . . . . 31 . . . 6152 1 333 . 1 1 31 31 LYS C C 13 174.968 0.2 . . . . . . 31 . . . 6152 1 334 . 1 1 31 31 LYS HA H 1 4.324 0.02 . . . . . . 31 . . . 6152 1 335 . 1 1 31 31 LYS HB2 H 1 2.042 0.02 . . . . . . 31 . . . 6152 1 336 . 1 1 31 31 LYS HB3 H 1 1.713 0.02 . . . . . . 31 . . . 6152 1 337 . 1 1 31 31 LYS HD2 H 1 1.625 0.02 . . . . . . 31 . . . 6152 1 338 . 1 1 31 31 LYS HD3 H 1 1.459 0.02 . . . . . . 31 . . . 6152 1 339 . 1 1 31 31 LYS HE2 H 1 2.848 0.02 . . . . . . 31 . . . 6152 1 340 . 1 1 31 31 LYS HE3 H 1 2.914 0.02 . . . . . . 31 . . . 6152 1 341 . 1 1 31 31 LYS HG2 H 1 1.581 0.02 . . . . . . 31 . . . 6152 1 342 . 1 1 31 31 LYS HG3 H 1 1.437 0.02 . . . . . . 31 . . . 6152 1 343 . 1 1 31 31 LYS H H 1 7.542 0.02 . . . . . . 31 . . . 6152 1 344 . 1 1 31 31 LYS N N 15 118.868 0.2 . . . . . . 31 . . . 6152 1 345 . 1 1 32 32 ARG CA C 13 56.882 0.2 . . . . . . 32 . . . 6152 1 346 . 1 1 32 32 ARG CB C 13 26.375 0.2 . . . . . . 32 . . . 6152 1 347 . 1 1 32 32 ARG CD C 13 43.372 0.2 . . . . . . 32 . . . 6152 1 348 . 1 1 32 32 ARG CG C 13 27.985 0.2 . . . . . . 32 . . . 6152 1 349 . 1 1 32 32 ARG C C 13 175.404 0.2 . . . . . . 32 . . . 6152 1 350 . 1 1 32 32 ARG HA H 1 3.904 0.02 . . . . . . 32 . . . 6152 1 351 . 1 1 32 32 ARG HB2 H 1 2.074 0.02 . . . . . . 32 . . . 6152 1 352 . 1 1 32 32 ARG HB3 H 1 1.952 0.02 . . . . . . 32 . . . 6152 1 353 . 1 1 32 32 ARG HD2 H 1 3.209 0.02 . . . . . . 32 . . . 6152 1 354 . 1 1 32 32 ARG HG2 H 1 1.566 0.02 . . . . . . 32 . . . 6152 1 355 . 1 1 32 32 ARG H H 1 8.013 0.02 . . . . . . 32 . . . 6152 1 356 . 1 1 32 32 ARG N N 15 116.204 0.2 . . . . . . 32 . . . 6152 1 357 . 1 1 33 33 ILE CA C 13 60.987 0.2 . . . . . . 33 . . . 6152 1 358 . 1 1 33 33 ILE CB C 13 39.004 0.2 . . . . . . 33 . . . 6152 1 359 . 1 1 33 33 ILE CD1 C 13 13.49 0.2 . . . . . . 33 . . . 6152 1 360 . 1 1 33 33 ILE CG1 C 13 28.028 0.2 . . . . . . 33 . . . 6152 1 361 . 1 1 33 33 ILE CG2 C 13 18.183 0.2 . . . . . . 33 . . . 6152 1 362 . 1 1 33 33 ILE C C 13 175.796 0.2 . . . . . . 33 . . . 6152 1 363 . 1 1 33 33 ILE HA H 1 4.002 0.02 . . . . . . 33 . . . 6152 1 364 . 1 1 33 33 ILE HB H 1 1.612 0.02 . . . . . . 33 . . . 6152 1 365 . 1 1 33 33 ILE HD11 H 1 0.71 0.02 . . . . . . 33 . . . 6152 1 366 . 1 1 33 33 ILE HD12 H 1 0.71 0.02 . . . . . . 33 . . . 6152 1 367 . 1 1 33 33 ILE HD13 H 1 0.71 0.02 . . . . . . 33 . . . 6152 1 368 . 1 1 33 33 ILE HG12 H 1 1.53 0.02 . . . . . . 33 . . . 6152 1 369 . 1 1 33 33 ILE HG13 H 1 0.976 0.02 . . . . . . 33 . . . 6152 1 370 . 1 1 33 33 ILE HG21 H 1 0.868 0.02 . . . . . . 33 . . . 6152 1 371 . 1 1 33 33 ILE HG22 H 1 0.868 0.02 . . . . . . 33 . . . 6152 1 372 . 1 1 33 33 ILE HG23 H 1 0.868 0.02 . . . . . . 33 . . . 6152 1 373 . 1 1 33 33 ILE H H 1 7.945 0.02 . . . . . . 33 . . . 6152 1 374 . 1 1 33 33 ILE N N 15 120.99 0.2 . . . . . . 33 . . . 6152 1 375 . 1 1 34 34 GLN CA C 13 56.014 0.2 . . . . . . 34 . . . 6152 1 376 . 1 1 34 34 GLN CB C 13 29.274 0.2 . . . . . . 34 . . . 6152 1 377 . 1 1 34 34 GLN CD C 13 180.125 0.2 . . . . . . 34 . . . 6152 1 378 . 1 1 34 34 GLN CG C 13 34.162 0.2 . . . . . . 34 . . . 6152 1 379 . 1 1 34 34 GLN C C 13 174.998 0.2 . . . . . . 34 . . . 6152 1 380 . 1 1 34 34 GLN HA H 1 4.235 0.02 . . . . . . 34 . . . 6152 1 381 . 1 1 34 34 GLN HB2 H 1 1.955 0.02 . . . . . . 34 . . . 6152 1 382 . 1 1 34 34 GLN HE21 H 1 6.824 0.02 . . . . . . 34 . . . 6152 1 383 . 1 1 34 34 GLN HE22 H 1 7.501 0.02 . . . . . . 34 . . . 6152 1 384 . 1 1 34 34 GLN HG2 H 1 2.345 0.02 . . . . . . 34 . . . 6152 1 385 . 1 1 34 34 GLN HG3 H 1 2.263 0.02 . . . . . . 34 . . . 6152 1 386 . 1 1 34 34 GLN H H 1 8.543 0.02 . . . . . . 34 . . . 6152 1 387 . 1 1 34 34 GLN N N 15 127.965 0.2 . . . . . . 34 . . . 6152 1 388 . 1 1 34 34 GLN NE2 N 15 112.339 0.2 . . . . . . 34 . . . 6152 1 389 . 1 1 35 35 TYR CA C 13 55.894 0.2 . . . . . . 35 . . . 6152 1 390 . 1 1 35 35 TYR CB C 13 40.599 0.2 . . . . . . 35 . . . 6152 1 391 . 1 1 35 35 TYR C C 13 172.93 0.2 . . . . . . 35 . . . 6152 1 392 . 1 1 35 35 TYR HA H 1 4.831 0.02 . . . . . . 35 . . . 6152 1 393 . 1 1 35 35 TYR HB2 H 1 2.842 0.02 . . . . . . 35 . . . 6152 1 394 . 1 1 35 35 TYR HB3 H 1 2.342 0.02 . . . . . . 35 . . . 6152 1 395 . 1 1 35 35 TYR HD1 H 1 6.729 0.02 . . . . . . 35 . . . 6152 1 396 . 1 1 35 35 TYR H H 1 7.635 0.02 . . . . . . 35 . . . 6152 1 397 . 1 1 36 36 GLN CA C 13 53.95 0.2 . . . . . . 36 . . . 6152 1 398 . 1 1 36 36 GLN CB C 13 30.937 0.2 . . . . . . 36 . . . 6152 1 399 . 1 1 36 36 GLN CD C 13 179.741 0.2 . . . . . . 36 . . . 6152 1 400 . 1 1 36 36 GLN CG C 13 33.482 0.2 . . . . . . 36 . . . 6152 1 401 . 1 1 36 36 GLN C C 13 174.503 0.2 . . . . . . 36 . . . 6152 1 402 . 1 1 36 36 GLN HA H 1 4.469 0.02 . . . . . . 36 . . . 6152 1 403 . 1 1 36 36 GLN HB2 H 1 1.918 0.02 . . . . . . 36 . . . 6152 1 404 . 1 1 36 36 GLN HB3 H 1 1.827 0.02 . . . . . . 36 . . . 6152 1 405 . 1 1 36 36 GLN HE21 H 1 6.799 0.02 . . . . . . 36 . . . 6152 1 406 . 1 1 36 36 GLN HE22 H 1 7.499 0.02 . . . . . . 36 . . . 6152 1 407 . 1 1 36 36 GLN HG2 H 1 2.295 0.02 . . . . . . 36 . . . 6152 1 408 . 1 1 36 36 GLN HG3 H 1 2.06 0.02 . . . . . . 36 . . . 6152 1 409 . 1 1 36 36 GLN H H 1 8.295 0.02 . . . . . . 36 . . . 6152 1 410 . 1 1 36 36 GLN N N 15 119.471 0.2 . . . . . . 36 . . . 6152 1 411 . 1 1 36 36 GLN NE2 N 15 111.297 0.2 . . . . . . 36 . . . 6152 1 412 . 1 1 37 37 LEU CA C 13 54.075 0.2 . . . . . . 37 . . . 6152 1 413 . 1 1 37 37 LEU CB C 13 43.518 0.2 . . . . . . 37 . . . 6152 1 414 . 1 1 37 37 LEU CD1 C 13 24.908 0.2 . . . . . . 37 . . . 6152 1 415 . 1 1 37 37 LEU CD2 C 13 24.693 0.2 . . . . . . 37 . . . 6152 1 416 . 1 1 37 37 LEU CG C 13 27.375 0.2 . . . . . . 37 . . . 6152 1 417 . 1 1 37 37 LEU C C 13 176.378 0.2 . . . . . . 37 . . . 6152 1 418 . 1 1 37 37 LEU HA H 1 4.928 0.02 . . . . . . 37 . . . 6152 1 419 . 1 1 37 37 LEU HB2 H 1 1.791 0.02 . . . . . . 37 . . . 6152 1 420 . 1 1 37 37 LEU HB3 H 1 1.457 0.02 . . . . . . 37 . . . 6152 1 421 . 1 1 37 37 LEU HD11 H 1 0.907 0.02 . . . . . . 37 . . . 6152 1 422 . 1 1 37 37 LEU HD12 H 1 0.907 0.02 . . . . . . 37 . . . 6152 1 423 . 1 1 37 37 LEU HD13 H 1 0.907 0.02 . . . . . . 37 . . . 6152 1 424 . 1 1 37 37 LEU HD21 H 1 0.892 0.02 . . . . . . 37 . . . 6152 1 425 . 1 1 37 37 LEU HD22 H 1 0.892 0.02 . . . . . . 37 . . . 6152 1 426 . 1 1 37 37 LEU HD23 H 1 0.892 0.02 . . . . . . 37 . . . 6152 1 427 . 1 1 37 37 LEU HG H 1 1.464 0.02 . . . . . . 37 . . . 6152 1 428 . 1 1 37 37 LEU H H 1 8.913 0.02 . . . . . . 37 . . . 6152 1 429 . 1 1 37 37 LEU N N 15 129.33 0.2 . . . . . . 37 . . . 6152 1 430 . 1 1 38 38 VAL CA C 13 61.498 0.2 . . . . . . 38 . . . 6152 1 431 . 1 1 38 38 VAL CB C 13 33.187 0.2 . . . . . . 38 . . . 6152 1 432 . 1 1 38 38 VAL CG1 C 13 22.505 0.2 . . . . . . 38 . . . 6152 1 433 . 1 1 38 38 VAL CG2 C 13 20.22 0.2 . . . . . . 38 . . . 6152 1 434 . 1 1 38 38 VAL C C 13 174.442 0.2 . . . . . . 38 . . . 6152 1 435 . 1 1 38 38 VAL HA H 1 4.035 0.02 . . . . . . 38 . . . 6152 1 436 . 1 1 38 38 VAL HB H 1 1.446 0.02 . . . . . . 38 . . . 6152 1 437 . 1 1 38 38 VAL HG11 H 1 0.828 0.02 . . . . . . 38 . . . 6152 1 438 . 1 1 38 38 VAL HG12 H 1 0.828 0.02 . . . . . . 38 . . . 6152 1 439 . 1 1 38 38 VAL HG13 H 1 0.828 0.02 . . . . . . 38 . . . 6152 1 440 . 1 1 38 38 VAL HG21 H 1 0.425 0.02 . . . . . . 38 . . . 6152 1 441 . 1 1 38 38 VAL HG22 H 1 0.425 0.02 . . . . . . 38 . . . 6152 1 442 . 1 1 38 38 VAL HG23 H 1 0.425 0.02 . . . . . . 38 . . . 6152 1 443 . 1 1 38 38 VAL H H 1 8.785 0.02 . . . . . . 38 . . . 6152 1 444 . 1 1 38 38 VAL N N 15 128.625 0.2 . . . . . . 38 . . . 6152 1 445 . 1 1 39 39 ASP CA C 13 51.776 0.2 . . . . . . 39 . . . 6152 1 446 . 1 1 39 39 ASP CB C 13 40.082 0.2 . . . . . . 39 . . . 6152 1 447 . 1 1 39 39 ASP C C 13 177.992 0.2 . . . . . . 39 . . . 6152 1 448 . 1 1 39 39 ASP HA H 1 5.045 0.02 . . . . . . 39 . . . 6152 1 449 . 1 1 39 39 ASP HB2 H 1 2.905 0.02 . . . . . . 39 . . . 6152 1 450 . 1 1 39 39 ASP HB3 H 1 2.526 0.02 . . . . . . 39 . . . 6152 1 451 . 1 1 39 39 ASP H H 1 8.675 0.02 . . . . . . 39 . . . 6152 1 452 . 1 1 39 39 ASP N N 15 127.36 0.2 . . . . . . 39 . . . 6152 1 453 . 1 1 40 40 ILE CA C 13 63.209 0.2 . . . . . . 40 . . . 6152 1 454 . 1 1 40 40 ILE CB C 13 38.451 0.2 . . . . . . 40 . . . 6152 1 455 . 1 1 40 40 ILE CD1 C 13 14.965 0.2 . . . . . . 40 . . . 6152 1 456 . 1 1 40 40 ILE CG1 C 13 25.096 0.2 . . . . . . 40 . . . 6152 1 457 . 1 1 40 40 ILE CG2 C 13 19.445 0.2 . . . . . . 40 . . . 6152 1 458 . 1 1 40 40 ILE C C 13 177.05 0.2 . . . . . . 40 . . . 6152 1 459 . 1 1 40 40 ILE HA H 1 4.299 0.02 . . . . . . 40 . . . 6152 1 460 . 1 1 40 40 ILE HB H 1 2.044 0.02 . . . . . . 40 . . . 6152 1 461 . 1 1 40 40 ILE HD11 H 1 0.869 0.02 . . . . . . 40 . . . 6152 1 462 . 1 1 40 40 ILE HD12 H 1 0.869 0.02 . . . . . . 40 . . . 6152 1 463 . 1 1 40 40 ILE HD13 H 1 0.869 0.02 . . . . . . 40 . . . 6152 1 464 . 1 1 40 40 ILE HG12 H 1 1.472 0.02 . . . . . . 40 . . . 6152 1 465 . 1 1 40 40 ILE HG13 H 1 1.356 0.02 . . . . . . 40 . . . 6152 1 466 . 1 1 40 40 ILE HG21 H 1 1.295 0.02 . . . . . . 40 . . . 6152 1 467 . 1 1 40 40 ILE HG22 H 1 1.295 0.02 . . . . . . 40 . . . 6152 1 468 . 1 1 40 40 ILE HG23 H 1 1.295 0.02 . . . . . . 40 . . . 6152 1 469 . 1 1 40 40 ILE H H 1 9.508 0.02 . . . . . . 40 . . . 6152 1 470 . 1 1 40 40 ILE N N 15 119.573 0.2 . . . . . . 40 . . . 6152 1 471 . 1 1 41 41 SER CA C 13 61.108 0.2 . . . . . . 41 . . . 6152 1 472 . 1 1 41 41 SER CB C 13 63.086 0.2 . . . . . . 41 . . . 6152 1 473 . 1 1 41 41 SER C C 13 175.657 0.2 . . . . . . 41 . . . 6152 1 474 . 1 1 41 41 SER HA H 1 4.115 0.02 . . . . . . 41 . . . 6152 1 475 . 1 1 41 41 SER HB2 H 1 4.271 0.02 . . . . . . 41 . . . 6152 1 476 . 1 1 41 41 SER HB3 H 1 3.903 0.02 . . . . . . 41 . . . 6152 1 477 . 1 1 41 41 SER H H 1 8.487 0.02 . . . . . . 41 . . . 6152 1 478 . 1 1 41 41 SER N N 15 117.223 0.2 . . . . . . 41 . . . 6152 1 479 . 1 1 42 42 GLN CA C 13 56.158 0.2 . . . . . . 42 . . . 6152 1 480 . 1 1 42 42 GLN CB C 13 29.292 0.2 . . . . . . 42 . . . 6152 1 481 . 1 1 42 42 GLN CD C 13 180.361 0.2 . . . . . . 42 . . . 6152 1 482 . 1 1 42 42 GLN CG C 13 33.987 0.2 . . . . . . 42 . . . 6152 1 483 . 1 1 42 42 GLN C C 13 175.749 0.2 . . . . . . 42 . . . 6152 1 484 . 1 1 42 42 GLN HA H 1 4.199 0.02 . . . . . . 42 . . . 6152 1 485 . 1 1 42 42 GLN HB2 H 1 2.244 0.02 . . . . . . 42 . . . 6152 1 486 . 1 1 42 42 GLN HB3 H 1 1.914 0.02 . . . . . . 42 . . . 6152 1 487 . 1 1 42 42 GLN HE21 H 1 6.797 0.02 . . . . . . 42 . . . 6152 1 488 . 1 1 42 42 GLN HE22 H 1 7.441 0.02 . . . . . . 42 . . . 6152 1 489 . 1 1 42 42 GLN HG2 H 1 2.27 0.02 . . . . . . 42 . . . 6152 1 490 . 1 1 42 42 GLN HG3 H 1 2.374 0.02 . . . . . . 42 . . . 6152 1 491 . 1 1 42 42 GLN H H 1 7.682 0.02 . . . . . . 42 . . . 6152 1 492 . 1 1 42 42 GLN N N 15 118.091 0.2 . . . . . . 42 . . . 6152 1 493 . 1 1 42 42 GLN NE2 N 15 112.179 0.2 . . . . . . 42 . . . 6152 1 494 . 1 1 43 43 ASP CA C 13 53.883 0.2 . . . . . . 43 . . . 6152 1 495 . 1 1 43 43 ASP CB C 13 42.882 0.2 . . . . . . 43 . . . 6152 1 496 . 1 1 43 43 ASP C C 13 176.073 0.2 . . . . . . 43 . . . 6152 1 497 . 1 1 43 43 ASP HA H 1 4.673 0.02 . . . . . . 43 . . . 6152 1 498 . 1 1 43 43 ASP HB2 H 1 2.663 0.02 . . . . . . 43 . . . 6152 1 499 . 1 1 43 43 ASP H H 1 7.064 0.02 . . . . . . 43 . . . 6152 1 500 . 1 1 43 43 ASP N N 15 116.017 0.2 . . . . . . 43 . . . 6152 1 501 . 1 1 44 44 ASN CA C 13 55.644 0.2 . . . . . . 44 . . . 6152 1 502 . 1 1 44 44 ASN CB C 13 37.538 0.2 . . . . . . 44 . . . 6152 1 503 . 1 1 44 44 ASN CG C 13 176.065 0.2 . . . . . . 44 . . . 6152 1 504 . 1 1 44 44 ASN C C 13 176.674 0.2 . . . . . . 44 . . . 6152 1 505 . 1 1 44 44 ASN HA H 1 4.467 0.02 . . . . . . 44 . . . 6152 1 506 . 1 1 44 44 ASN HB2 H 1 2.845 0.02 . . . . . . 44 . . . 6152 1 507 . 1 1 44 44 ASN HD21 H 1 6.924 0.02 . . . . . . 44 . . . 6152 1 508 . 1 1 44 44 ASN HD22 H 1 7.694 0.02 . . . . . . 44 . . . 6152 1 509 . 1 1 44 44 ASN H H 1 9.361 0.02 . . . . . . 44 . . . 6152 1 510 . 1 1 44 44 ASN N N 15 127.051 0.2 . . . . . . 44 . . . 6152 1 511 . 1 1 44 44 ASN ND2 N 15 111.39 0.2 . . . . . . 44 . . . 6152 1 512 . 1 1 45 45 ALA CA C 13 55.271 0.2 . . . . . . 45 . . . 6152 1 513 . 1 1 45 45 ALA CB C 13 18.044 0.2 . . . . . . 45 . . . 6152 1 514 . 1 1 45 45 ALA C C 13 181.613 0.2 . . . . . . 45 . . . 6152 1 515 . 1 1 45 45 ALA HA H 1 4.213 0.02 . . . . . . 45 . . . 6152 1 516 . 1 1 45 45 ALA HB1 H 1 1.438 0.02 . . . . . . 45 . . . 6152 1 517 . 1 1 45 45 ALA HB2 H 1 1.438 0.02 . . . . . . 45 . . . 6152 1 518 . 1 1 45 45 ALA HB3 H 1 1.438 0.02 . . . . . . 45 . . . 6152 1 519 . 1 1 45 45 ALA H H 1 8.962 0.02 . . . . . . 45 . . . 6152 1 520 . 1 1 45 45 ALA N N 15 122.622 0.2 . . . . . . 45 . . . 6152 1 521 . 1 1 46 46 LEU CA C 13 56.995 0.2 . . . . . . 46 . . . 6152 1 522 . 1 1 46 46 LEU CB C 13 42.654 0.2 . . . . . . 46 . . . 6152 1 523 . 1 1 46 46 LEU CD1 C 13 25.996 0.2 . . . . . . 46 . . . 6152 1 524 . 1 1 46 46 LEU CD2 C 13 22.18 0.2 . . . . . . 46 . . . 6152 1 525 . 1 1 46 46 LEU CG C 13 27 0.2 . . . . . . 46 . . . 6152 1 526 . 1 1 46 46 LEU C C 13 178.829 0.2 . . . . . . 46 . . . 6152 1 527 . 1 1 46 46 LEU HA H 1 4.269 0.02 . . . . . . 46 . . . 6152 1 528 . 1 1 46 46 LEU HB2 H 1 2.273 0.02 . . . . . . 46 . . . 6152 1 529 . 1 1 46 46 LEU HB3 H 1 1.418 0.02 . . . . . . 46 . . . 6152 1 530 . 1 1 46 46 LEU HD11 H 1 0.971 0.02 . . . . . . 46 . . . 6152 1 531 . 1 1 46 46 LEU HD12 H 1 0.971 0.02 . . . . . . 46 . . . 6152 1 532 . 1 1 46 46 LEU HD13 H 1 0.971 0.02 . . . . . . 46 . . . 6152 1 533 . 1 1 46 46 LEU HD21 H 1 0.87 0.02 . . . . . . 46 . . . 6152 1 534 . 1 1 46 46 LEU HD22 H 1 0.87 0.02 . . . . . . 46 . . . 6152 1 535 . 1 1 46 46 LEU HD23 H 1 0.87 0.02 . . . . . . 46 . . . 6152 1 536 . 1 1 46 46 LEU HG H 1 1.717 0.02 . . . . . . 46 . . . 6152 1 537 . 1 1 46 46 LEU H H 1 7.766 0.02 . . . . . . 46 . . . 6152 1 538 . 1 1 46 46 LEU N N 15 118.619 0.2 . . . . . . 46 . . . 6152 1 539 . 1 1 47 47 ARG CA C 13 59.605 0.2 . . . . . . 47 . . . 6152 1 540 . 1 1 47 47 ARG CB C 13 29.759 0.2 . . . . . . 47 . . . 6152 1 541 . 1 1 47 47 ARG CD C 13 43.432 0.2 . . . . . . 47 . . . 6152 1 542 . 1 1 47 47 ARG HA H 1 3.808 0.02 . . . . . . 47 . . . 6152 1 543 . 1 1 47 47 ARG HB2 H 1 2.32 0.02 . . . . . . 47 . . . 6152 1 544 . 1 1 47 47 ARG HD2 H 1 3.169 0.02 . . . . . . 47 . . . 6152 1 545 . 1 1 47 47 ARG HD3 H 1 3.109 0.02 . . . . . . 47 . . . 6152 1 546 . 1 1 47 47 ARG HG2 H 1 1.766 0.02 . . . . . . 47 . . . 6152 1 547 . 1 1 47 47 ARG HG3 H 1 1.262 0.02 . . . . . . 47 . . . 6152 1 548 . 1 1 47 47 ARG H H 1 7.108 0.02 . . . . . . 47 . . . 6152 1 549 . 1 1 47 47 ARG N N 15 120.344 0.2 . . . . . . 47 . . . 6152 1 550 . 1 1 48 48 ASP CA C 13 57.483 0.2 . . . . . . 48 . . . 6152 1 551 . 1 1 48 48 ASP CB C 13 39.105 0.2 . . . . . . 48 . . . 6152 1 552 . 1 1 48 48 ASP C C 13 178.754 0.2 . . . . . . 48 . . . 6152 1 553 . 1 1 48 48 ASP HA H 1 4.275 0.02 . . . . . . 48 . . . 6152 1 554 . 1 1 48 48 ASP HB2 H 1 2.673 0.02 . . . . . . 48 . . . 6152 1 555 . 1 1 48 48 ASP H H 1 8.315 0.02 . . . . . . 48 . . . 6152 1 556 . 1 1 48 48 ASP N N 15 119.594 0.2 . . . . . . 48 . . . 6152 1 557 . 1 1 49 49 GLU CA C 13 59.309 0.2 . . . . . . 49 . . . 6152 1 558 . 1 1 49 49 GLU CB C 13 30.697 0.2 . . . . . . 49 . . . 6152 1 559 . 1 1 49 49 GLU CG C 13 36.613 0.2 . . . . . . 49 . . . 6152 1 560 . 1 1 49 49 GLU C C 13 177.312 0.2 . . . . . . 49 . . . 6152 1 561 . 1 1 49 49 GLU HA H 1 4.052 0.02 . . . . . . 49 . . . 6152 1 562 . 1 1 49 49 GLU HB2 H 1 2.284 0.02 . . . . . . 49 . . . 6152 1 563 . 1 1 49 49 GLU HG2 H 1 2.14 0.02 . . . . . . 49 . . . 6152 1 564 . 1 1 49 49 GLU H H 1 8.072 0.02 . . . . . . 49 . . . 6152 1 565 . 1 1 49 49 GLU N N 15 124.417 0.2 . . . . . . 49 . . . 6152 1 566 . 1 1 50 50 MET CA C 13 59.239 0.2 . . . . . . 50 . . . 6152 1 567 . 1 1 50 50 MET CB C 13 32.398 0.2 . . . . . . 50 . . . 6152 1 568 . 1 1 50 50 MET CG C 13 31.563 0.2 . . . . . . 50 . . . 6152 1 569 . 1 1 50 50 MET C C 13 177.348 0.2 . . . . . . 50 . . . 6152 1 570 . 1 1 50 50 MET HA H 1 2.838 0.02 . . . . . . 50 . . . 6152 1 571 . 1 1 50 50 MET HB2 H 1 2.277 0.02 . . . . . . 50 . . . 6152 1 572 . 1 1 50 50 MET HB3 H 1 1.454 0.02 . . . . . . 50 . . . 6152 1 573 . 1 1 50 50 MET HG2 H 1 1.671 0.02 . . . . . . 50 . . . 6152 1 574 . 1 1 50 50 MET HG3 H 1 1.524 0.02 . . . . . . 50 . . . 6152 1 575 . 1 1 50 50 MET H H 1 7.808 0.02 . . . . . . 50 . . . 6152 1 576 . 1 1 50 50 MET N N 15 119.054 0.2 . . . . . . 50 . . . 6152 1 577 . 1 1 51 51 ARG CA C 13 59.796 0.2 . . . . . . 51 . . . 6152 1 578 . 1 1 51 51 ARG CB C 13 30.625 0.2 . . . . . . 51 . . . 6152 1 579 . 1 1 51 51 ARG CD C 13 44.132 0.2 . . . . . . 51 . . . 6152 1 580 . 1 1 51 51 ARG CG C 13 29.002 0.2 . . . . . . 51 . . . 6152 1 581 . 1 1 51 51 ARG C C 13 178.251 0.2 . . . . . . 51 . . . 6152 1 582 . 1 1 51 51 ARG HA H 1 3.563 0.02 . . . . . . 51 . . . 6152 1 583 . 1 1 51 51 ARG HB2 H 1 1.859 0.02 . . . . . . 51 . . . 6152 1 584 . 1 1 51 51 ARG HB3 H 1 1.667 0.02 . . . . . . 51 . . . 6152 1 585 . 1 1 51 51 ARG HD2 H 1 2.988 0.02 . . . . . . 51 . . . 6152 1 586 . 1 1 51 51 ARG HD3 H 1 3.118 0.02 . . . . . . 51 . . . 6152 1 587 . 1 1 51 51 ARG HG2 H 1 1.782 0.02 . . . . . . 51 . . . 6152 1 588 . 1 1 51 51 ARG H H 1 7.717 0.02 . . . . . . 51 . . . 6152 1 589 . 1 1 51 51 ARG N N 15 116.056 0.2 . . . . . . 51 . . . 6152 1 590 . 1 1 52 52 ALA CA C 13 54.871 0.2 . . . . . . 52 . . . 6152 1 591 . 1 1 52 52 ALA CB C 13 17.761 0.2 . . . . . . 52 . . . 6152 1 592 . 1 1 52 52 ALA C C 13 181.243 0.2 . . . . . . 52 . . . 6152 1 593 . 1 1 52 52 ALA HA H 1 3.953 0.02 . . . . . . 52 . . . 6152 1 594 . 1 1 52 52 ALA HB1 H 1 1.402 0.02 . . . . . . 52 . . . 6152 1 595 . 1 1 52 52 ALA HB2 H 1 1.402 0.02 . . . . . . 52 . . . 6152 1 596 . 1 1 52 52 ALA HB3 H 1 1.402 0.02 . . . . . . 52 . . . 6152 1 597 . 1 1 52 52 ALA H H 1 8.103 0.02 . . . . . . 52 . . . 6152 1 598 . 1 1 52 52 ALA N N 15 123.284 0.2 . . . . . . 52 . . . 6152 1 599 . 1 1 53 53 LEU CA C 13 57.469 0.2 . . . . . . 53 . . . 6152 1 600 . 1 1 53 53 LEU CB C 13 42.138 0.2 . . . . . . 53 . . . 6152 1 601 . 1 1 53 53 LEU CD1 C 13 22.670 0.2 . . . . . . 53 . . . 6152 1 602 . 1 1 53 53 LEU CD2 C 13 22.987 0.2 . . . . . . 53 . . . 6152 1 603 . 1 1 53 53 LEU CG C 13 26.723 0.2 . . . . . . 53 . . . 6152 1 604 . 1 1 53 53 LEU C C 13 177.707 0.2 . . . . . . 53 . . . 6152 1 605 . 1 1 53 53 LEU HA H 1 3.871 0.02 . . . . . . 53 . . . 6152 1 606 . 1 1 53 53 LEU HB2 H 1 1.692 0.02 . . . . . . 53 . . . 6152 1 607 . 1 1 53 53 LEU HB3 H 1 1.054 0.02 . . . . . . 53 . . . 6152 1 608 . 1 1 53 53 LEU HD11 H 1 0.979 0.02 . . . . . . 53 . . . 6152 1 609 . 1 1 53 53 LEU HD12 H 1 0.979 0.02 . . . . . . 53 . . . 6152 1 610 . 1 1 53 53 LEU HD13 H 1 0.979 0.02 . . . . . . 53 . . . 6152 1 611 . 1 1 53 53 LEU HD21 H 1 0.83 0.02 . . . . . . 53 . . . 6152 1 612 . 1 1 53 53 LEU HD22 H 1 0.83 0.02 . . . . . . 53 . . . 6152 1 613 . 1 1 53 53 LEU HD23 H 1 0.83 0.02 . . . . . . 53 . . . 6152 1 614 . 1 1 53 53 LEU HG H 1 0.887 0.02 . . . . . . 53 . . . 6152 1 615 . 1 1 53 53 LEU H H 1 8.08 0.02 . . . . . . 53 . . . 6152 1 616 . 1 1 53 53 LEU N N 15 120.143 0.2 . . . . . . 53 . . . 6152 1 617 . 1 1 54 54 ALA CA C 13 51.546 0.2 . . . . . . 54 . . . 6152 1 618 . 1 1 54 54 ALA CB C 13 18.158 0.2 . . . . . . 54 . . . 6152 1 619 . 1 1 54 54 ALA C C 13 177.191 0.2 . . . . . . 54 . . . 6152 1 620 . 1 1 54 54 ALA HA H 1 2.307 0.02 . . . . . . 54 . . . 6152 1 621 . 1 1 54 54 ALA HB1 H 1 0.899 0.02 . . . . . . 54 . . . 6152 1 622 . 1 1 54 54 ALA HB2 H 1 0.899 0.02 . . . . . . 54 . . . 6152 1 623 . 1 1 54 54 ALA HB3 H 1 0.899 0.02 . . . . . . 54 . . . 6152 1 624 . 1 1 54 54 ALA H H 1 7.5 0.02 . . . . . . 54 . . . 6152 1 625 . 1 1 54 54 ALA N N 15 115.739 0.2 . . . . . . 54 . . . 6152 1 626 . 1 1 55 55 GLY CA C 13 46.088 0.2 . . . . . . 55 . . . 6152 1 627 . 1 1 55 55 GLY C C 13 174.062 0.2 . . . . . . 55 . . . 6152 1 628 . 1 1 55 55 GLY HA2 H 1 3.667 0.02 . . . . . . 55 . . . 6152 1 629 . 1 1 55 55 GLY H H 1 7.339 0.02 . . . . . . 55 . . . 6152 1 630 . 1 1 55 55 GLY N N 15 106.608 0.2 . . . . . . 55 . . . 6152 1 631 . 1 1 56 56 ASN CA C 13 49.252 0.2 . . . . . . 56 . . . 6152 1 632 . 1 1 56 56 ASN CB C 13 40.575 0.2 . . . . . . 56 . . . 6152 1 633 . 1 1 56 56 ASN CG C 13 177.654 0.2 . . . . . . 56 . . . 6152 1 634 . 1 1 56 56 ASN HA H 1 5.096 0.02 . . . . . . 56 . . . 6152 1 635 . 1 1 56 56 ASN HB2 H 1 2.535 0.02 . . . . . . 56 . . . 6152 1 636 . 1 1 56 56 ASN HB3 H 1 2.73 0.02 . . . . . . 56 . . . 6152 1 637 . 1 1 56 56 ASN HD21 H 1 7.148 0.02 . . . . . . 56 . . . 6152 1 638 . 1 1 56 56 ASN HD22 H 1 7.951 0.02 . . . . . . 56 . . . 6152 1 639 . 1 1 56 56 ASN H H 1 7.036 0.02 . . . . . . 56 . . . 6152 1 640 . 1 1 56 56 ASN N N 15 112.454 0.2 . . . . . . 56 . . . 6152 1 641 . 1 1 56 56 ASN ND2 N 15 111.461 0.2 . . . . . . 56 . . . 6152 1 642 . 1 1 57 57 PRO CA C 13 64.036 0.2 . . . . . . 57 . . . 6152 1 643 . 1 1 57 57 PRO CB C 13 32.65 0.2 . . . . . . 57 . . . 6152 1 644 . 1 1 57 57 PRO CD C 13 51.39 0.2 . . . . . . 57 . . . 6152 1 645 . 1 1 57 57 PRO CG C 13 26.987 0.2 . . . . . . 57 . . . 6152 1 646 . 1 1 57 57 PRO C C 13 175.954 0.2 . . . . . . 57 . . . 6152 1 647 . 1 1 57 57 PRO HA H 1 4.263 0.02 . . . . . . 57 . . . 6152 1 648 . 1 1 57 57 PRO HB2 H 1 2.331 0.02 . . . . . . 57 . . . 6152 1 649 . 1 1 57 57 PRO HB3 H 1 1.906 0.02 . . . . . . 57 . . . 6152 1 650 . 1 1 57 57 PRO HD2 H 1 3.855 0.02 . . . . . . 57 . . . 6152 1 651 . 1 1 57 57 PRO HD3 H 1 3.664 0.02 . . . . . . 57 . . . 6152 1 652 . 1 1 57 57 PRO HG2 H 1 1.937 0.02 . . . . . . 57 . . . 6152 1 653 . 1 1 58 58 LYS CA C 13 54.206 0.2 . . . . . . 58 . . . 6152 1 654 . 1 1 58 58 LYS CB C 13 32.321 0.2 . . . . . . 58 . . . 6152 1 655 . 1 1 58 58 LYS CD C 13 28.985 0.2 . . . . . . 58 . . . 6152 1 656 . 1 1 58 58 LYS CE C 13 42.108 0.2 . . . . . . 58 . . . 6152 1 657 . 1 1 58 58 LYS CG C 13 24.997 0.2 . . . . . . 58 . . . 6152 1 658 . 1 1 58 58 LYS C C 13 176.739 0.2 . . . . . . 58 . . . 6152 1 659 . 1 1 58 58 LYS HA H 1 4.344 0.02 . . . . . . 58 . . . 6152 1 660 . 1 1 58 58 LYS HB2 H 1 1.973 0.02 . . . . . . 58 . . . 6152 1 661 . 1 1 58 58 LYS HB3 H 1 1.591 0.02 . . . . . . 58 . . . 6152 1 662 . 1 1 58 58 LYS HD2 H 1 1.619 0.02 . . . . . . 58 . . . 6152 1 663 . 1 1 58 58 LYS HE2 H 1 2.931 0.02 . . . . . . 58 . . . 6152 1 664 . 1 1 58 58 LYS HG2 H 1 1.324 0.02 . . . . . . 58 . . . 6152 1 665 . 1 1 58 58 LYS HG3 H 1 1.262 0.02 . . . . . . 58 . . . 6152 1 666 . 1 1 58 58 LYS H H 1 7.721 0.02 . . . . . . 58 . . . 6152 1 667 . 1 1 58 58 LYS N N 15 114.565 0.2 . . . . . . 58 . . . 6152 1 668 . 1 1 59 59 ALA CA C 13 53.455 0.2 . . . . . . 59 . . . 6152 1 669 . 1 1 59 59 ALA CB C 13 18.587 0.2 . . . . . . 59 . . . 6152 1 670 . 1 1 59 59 ALA C C 13 176.576 0.2 . . . . . . 59 . . . 6152 1 671 . 1 1 59 59 ALA HA H 1 4.089 0.02 . . . . . . 59 . . . 6152 1 672 . 1 1 59 59 ALA HB1 H 1 1.283 0.02 . . . . . . 59 . . . 6152 1 673 . 1 1 59 59 ALA HB2 H 1 1.283 0.02 . . . . . . 59 . . . 6152 1 674 . 1 1 59 59 ALA HB3 H 1 1.283 0.02 . . . . . . 59 . . . 6152 1 675 . 1 1 59 59 ALA H H 1 7.387 0.02 . . . . . . 59 . . . 6152 1 676 . 1 1 59 59 ALA N N 15 122.421 0.2 . . . . . . 59 . . . 6152 1 677 . 1 1 60 60 THR CA C 13 58.175 0.2 . . . . . . 60 . . . 6152 1 678 . 1 1 60 60 THR CB C 13 69.9 0.2 . . . . . . 60 . . . 6152 1 679 . 1 1 60 60 THR CG2 C 13 20.234 0.2 . . . . . . 60 . . . 6152 1 680 . 1 1 60 60 THR HA H 1 4.835 0.02 . . . . . . 60 . . . 6152 1 681 . 1 1 60 60 THR HB H 1 4.251 0.02 . . . . . . 60 . . . 6152 1 682 . 1 1 60 60 THR HG21 H 1 1.269 0.02 . . . . . . 60 . . . 6152 1 683 . 1 1 60 60 THR HG22 H 1 1.269 0.02 . . . . . . 60 . . . 6152 1 684 . 1 1 60 60 THR HG23 H 1 1.269 0.02 . . . . . . 60 . . . 6152 1 685 . 1 1 60 60 THR H H 1 8.616 0.02 . . . . . . 60 . . . 6152 1 686 . 1 1 60 60 THR N N 15 113.571 0.2 . . . . . . 60 . . . 6152 1 687 . 1 1 61 61 PRO CA C 13 62.182 0.2 . . . . . . 61 . . . 6152 1 688 . 1 1 61 61 PRO CB C 13 30.91 0.2 . . . . . . 61 . . . 6152 1 689 . 1 1 61 61 PRO CD C 13 51.104 0.2 . . . . . . 61 . . . 6152 1 690 . 1 1 61 61 PRO CG C 13 28.216 0.2 . . . . . . 61 . . . 6152 1 691 . 1 1 61 61 PRO HA H 1 4.43 0.02 . . . . . . 61 . . . 6152 1 692 . 1 1 61 61 PRO HB2 H 1 2.524 0.02 . . . . . . 61 . . . 6152 1 693 . 1 1 61 61 PRO HB3 H 1 2.104 0.02 . . . . . . 61 . . . 6152 1 694 . 1 1 61 61 PRO HD2 H 1 3.686 0.02 . . . . . . 61 . . . 6152 1 695 . 1 1 61 61 PRO HG2 H 1 1.947 0.02 . . . . . . 61 . . . 6152 1 696 . 1 1 61 61 PRO HG3 H 1 1.721 0.02 . . . . . . 61 . . . 6152 1 697 . 1 1 62 62 PRO CA C 13 61.354 0.2 . . . . . . 62 . . . 6152 1 698 . 1 1 62 62 PRO CB C 13 34.732 0.2 . . . . . . 62 . . . 6152 1 699 . 1 1 62 62 PRO CD C 13 50.279 0.2 . . . . . . 62 . . . 6152 1 700 . 1 1 62 62 PRO CG C 13 24.791 0.2 . . . . . . 62 . . . 6152 1 701 . 1 1 62 62 PRO HA H 1 5.437 0.02 . . . . . . 62 . . . 6152 1 702 . 1 1 62 62 PRO HB2 H 1 1.717 0.02 . . . . . . 62 . . . 6152 1 703 . 1 1 62 62 PRO HB3 H 1 2.088 0.02 . . . . . . 62 . . . 6152 1 704 . 1 1 62 62 PRO HD2 H 1 4.177 0.02 . . . . . . 62 . . . 6152 1 705 . 1 1 62 62 PRO HD3 H 1 3.317 0.02 . . . . . . 62 . . . 6152 1 706 . 1 1 62 62 PRO HG2 H 1 2.016 0.02 . . . . . . 62 . . . 6152 1 707 . 1 1 62 62 PRO HG3 H 1 1.688 0.02 . . . . . . 62 . . . 6152 1 708 . 1 1 63 63 GLN CA C 13 54.278 0.2 . . . . . . 63 . . . 6152 1 709 . 1 1 63 63 GLN CB C 13 31.854 0.2 . . . . . . 63 . . . 6152 1 710 . 1 1 63 63 GLN CG C 13 32.284 0.2 . . . . . . 63 . . . 6152 1 711 . 1 1 63 63 GLN C C 13 174.595 0.2 . . . . . . 63 . . . 6152 1 712 . 1 1 63 63 GLN HA H 1 5.011 0.02 . . . . . . 63 . . . 6152 1 713 . 1 1 63 63 GLN HB2 H 1 1.572 0.02 . . . . . . 63 . . . 6152 1 714 . 1 1 63 63 GLN HG2 H 1 2.505 0.02 . . . . . . 63 . . . 6152 1 715 . 1 1 63 63 GLN HG3 H 1 1.844 0.02 . . . . . . 63 . . . 6152 1 716 . 1 1 63 63 GLN H H 1 7.721 0.02 . . . . . . 63 . . . 6152 1 717 . 1 1 63 63 GLN N N 15 116.049 0.2 . . . . . . 63 . . . 6152 1 718 . 1 1 64 64 ILE CA C 13 62.003 0.2 . . . . . . 64 . . . 6152 1 719 . 1 1 64 64 ILE CB C 13 40.678 0.2 . . . . . . 64 . . . 6152 1 720 . 1 1 64 64 ILE CD1 C 13 15.38 0.2 . . . . . . 64 . . . 6152 1 721 . 1 1 64 64 ILE CG1 C 13 29.48 0.2 . . . . . . 64 . . . 6152 1 722 . 1 1 64 64 ILE CG2 C 13 19.372 0.2 . . . . . . 64 . . . 6152 1 723 . 1 1 64 64 ILE C C 13 174.479 0.2 . . . . . . 64 . . . 6152 1 724 . 1 1 64 64 ILE HA H 1 5.07 0.02 . . . . . . 64 . . . 6152 1 725 . 1 1 64 64 ILE HB H 1 1.639 0.02 . . . . . . 64 . . . 6152 1 726 . 1 1 64 64 ILE HD11 H 1 0.719 0.02 . . . . . . 64 . . . 6152 1 727 . 1 1 64 64 ILE HD12 H 1 0.719 0.02 . . . . . . 64 . . . 6152 1 728 . 1 1 64 64 ILE HD13 H 1 0.719 0.02 . . . . . . 64 . . . 6152 1 729 . 1 1 64 64 ILE HG12 H 1 1.427 0.02 . . . . . . 64 . . . 6152 1 730 . 1 1 64 64 ILE HG13 H 1 0.927 0.02 . . . . . . 64 . . . 6152 1 731 . 1 1 64 64 ILE HG21 H 1 0.821 0.02 . . . . . . 64 . . . 6152 1 732 . 1 1 64 64 ILE HG22 H 1 0.821 0.02 . . . . . . 64 . . . 6152 1 733 . 1 1 64 64 ILE HG23 H 1 0.821 0.02 . . . . . . 64 . . . 6152 1 734 . 1 1 64 64 ILE H H 1 8.948 0.02 . . . . . . 64 . . . 6152 1 735 . 1 1 64 64 ILE N N 15 123.028 0.2 . . . . . . 64 . . . 6152 1 736 . 1 1 65 65 VAL CA C 13 60.39 0.2 . . . . . . 65 . . . 6152 1 737 . 1 1 65 65 VAL CB C 13 36.461 0.2 . . . . . . 65 . . . 6152 1 738 . 1 1 65 65 VAL CG1 C 13 21.848 0.2 . . . . . . 65 . . . 6152 1 739 . 1 1 65 65 VAL CG2 C 13 21.624 0.2 . . . . . . 65 . . . 6152 1 740 . 1 1 65 65 VAL C C 13 172.339 0.2 . . . . . . 65 . . . 6152 1 741 . 1 1 65 65 VAL HA H 1 4.699 0.02 . . . . . . 65 . . . 6152 1 742 . 1 1 65 65 VAL HB H 1 2.099 0.02 . . . . . . 65 . . . 6152 1 743 . 1 1 65 65 VAL HG11 H 1 1.144 0.02 . . . . . . 65 . . . 6152 1 744 . 1 1 65 65 VAL HG12 H 1 1.144 0.02 . . . . . . 65 . . . 6152 1 745 . 1 1 65 65 VAL HG13 H 1 1.144 0.02 . . . . . . 65 . . . 6152 1 746 . 1 1 65 65 VAL HG21 H 1 1.033 0.02 . . . . . . 65 . . . 6152 1 747 . 1 1 65 65 VAL HG22 H 1 1.033 0.02 . . . . . . 65 . . . 6152 1 748 . 1 1 65 65 VAL HG23 H 1 1.033 0.02 . . . . . . 65 . . . 6152 1 749 . 1 1 65 65 VAL H H 1 8.968 0.02 . . . . . . 65 . . . 6152 1 750 . 1 1 65 65 VAL N N 15 125.92 0.2 . . . . . . 65 . . . 6152 1 751 . 1 1 66 66 ASN CA C 13 51.787 0.2 . . . . . . 66 . . . 6152 1 752 . 1 1 66 66 ASN CB C 13 38.761 0.2 . . . . . . 66 . . . 6152 1 753 . 1 1 66 66 ASN CG C 13 176.095 0.2 . . . . . . 66 . . . 6152 1 754 . 1 1 66 66 ASN C C 13 176.925 0.2 . . . . . . 66 . . . 6152 1 755 . 1 1 66 66 ASN HA H 1 4.966 0.02 . . . . . . 66 . . . 6152 1 756 . 1 1 66 66 ASN HB2 H 1 2.721 0.02 . . . . . . 66 . . . 6152 1 757 . 1 1 66 66 ASN HB3 H 1 2.259 0.02 . . . . . . 66 . . . 6152 1 758 . 1 1 66 66 ASN HD21 H 1 6.583 0.02 . . . . . . 66 . . . 6152 1 759 . 1 1 66 66 ASN HD22 H 1 7.925 0.02 . . . . . . 66 . . . 6152 1 760 . 1 1 66 66 ASN H H 1 9.041 0.02 . . . . . . 66 . . . 6152 1 761 . 1 1 66 66 ASN N N 15 122.893 0.2 . . . . . . 66 . . . 6152 1 762 . 1 1 66 66 ASN ND2 N 15 109.525 0.2 . . . . . . 66 . . . 6152 1 763 . 1 1 67 67 GLY CA C 13 47.966 0.2 . . . . . . 67 . . . 6152 1 764 . 1 1 67 67 GLY C C 13 173.341 0.2 . . . . . . 67 . . . 6152 1 765 . 1 1 67 67 GLY HA2 H 1 4.014 0.02 . . . . . . 67 . . . 6152 1 766 . 1 1 67 67 GLY HA3 H 1 3.662 0.02 . . . . . . 67 . . . 6152 1 767 . 1 1 67 67 GLY H H 1 8.432 0.02 . . . . . . 67 . . . 6152 1 768 . 1 1 67 67 GLY N N 15 115.383 0.2 . . . . . . 67 . . . 6152 1 769 . 1 1 68 68 ASP CA C 13 53.087 0.2 . . . . . . 68 . . . 6152 1 770 . 1 1 68 68 ASP CB C 13 40.775 0.2 . . . . . . 68 . . . 6152 1 771 . 1 1 68 68 ASP C C 13 175.271 0.2 . . . . . . 68 . . . 6152 1 772 . 1 1 68 68 ASP HA H 1 4.671 0.02 . . . . . . 68 . . . 6152 1 773 . 1 1 68 68 ASP HB2 H 1 2.73 0.02 . . . . . . 68 . . . 6152 1 774 . 1 1 68 68 ASP HB3 H 1 2.701 0.02 . . . . . . 68 . . . 6152 1 775 . 1 1 68 68 ASP H H 1 8.618 0.02 . . . . . . 68 . . . 6152 1 776 . 1 1 68 68 ASP N N 15 126.395 0.2 . . . . . . 68 . . . 6152 1 777 . 1 1 69 69 GLN CA C 13 54.153 0.2 . . . . . . 69 . . . 6152 1 778 . 1 1 69 69 GLN CB C 13 30.64 0.2 . . . . . . 69 . . . 6152 1 779 . 1 1 69 69 GLN CD C 13 180.664 0.2 . . . . . . 69 . . . 6152 1 780 . 1 1 69 69 GLN CG C 13 34.006 0.2 . . . . . . 69 . . . 6152 1 781 . 1 1 69 69 GLN C C 13 174.353 0.2 . . . . . . 69 . . . 6152 1 782 . 1 1 69 69 GLN HA H 1 4.519 0.02 . . . . . . 69 . . . 6152 1 783 . 1 1 69 69 GLN HB2 H 1 2.223 0.02 . . . . . . 69 . . . 6152 1 784 . 1 1 69 69 GLN HB3 H 1 1.882 0.02 . . . . . . 69 . . . 6152 1 785 . 1 1 69 69 GLN HE21 H 1 6.94 0.02 . . . . . . 69 . . . 6152 1 786 . 1 1 69 69 GLN HE22 H 1 7.616 0.02 . . . . . . 69 . . . 6152 1 787 . 1 1 69 69 GLN HG2 H 1 2.435 0.02 . . . . . . 69 . . . 6152 1 788 . 1 1 69 69 GLN H H 1 8.143 0.02 . . . . . . 69 . . . 6152 1 789 . 1 1 69 69 GLN N N 15 117.831 0.2 . . . . . . 69 . . . 6152 1 790 . 1 1 69 69 GLN NE2 N 15 112.607 0.2 . . . . . . 69 . . . 6152 1 791 . 1 1 70 70 TYR CA C 13 58.707 0.2 . . . . . . 70 . . . 6152 1 792 . 1 1 70 70 TYR CB C 13 38.951 0.2 . . . . . . 70 . . . 6152 1 793 . 1 1 70 70 TYR C C 13 175.244 0.2 . . . . . . 70 . . . 6152 1 794 . 1 1 70 70 TYR HA H 1 4.32 0.02 . . . . . . 70 . . . 6152 1 795 . 1 1 70 70 TYR HB2 H 1 3.065 0.02 . . . . . . 70 . . . 6152 1 796 . 1 1 70 70 TYR HB3 H 1 2.811 0.02 . . . . . . 70 . . . 6152 1 797 . 1 1 70 70 TYR HD1 H 1 6.92 0.02 . . . . . . 70 . . . 6152 1 798 . 1 1 70 70 TYR HE1 H 1 7.04 0.02 . . . . . . 70 . . . 6152 1 799 . 1 1 70 70 TYR H H 1 9.133 0.02 . . . . . . 70 . . . 6152 1 800 . 1 1 70 70 TYR N N 15 126.155 0.2 . . . . . . 70 . . . 6152 1 801 . 1 1 71 71 CYS CA C 13 59.429 0.2 . . . . . . 71 . . . 6152 1 802 . 1 1 71 71 CYS CB C 13 27.032 0.2 . . . . . . 71 . . . 6152 1 803 . 1 1 71 71 CYS C C 13 173.451 0.2 . . . . . . 71 . . . 6152 1 804 . 1 1 71 71 CYS HA H 1 4.11 0.02 . . . . . . 71 . . . 6152 1 805 . 1 1 71 71 CYS HB2 H 1 1.936 0.02 . . . . . . 71 . . . 6152 1 806 . 1 1 71 71 CYS HB3 H 1 1.614 0.02 . . . . . . 71 . . . 6152 1 807 . 1 1 71 71 CYS H H 1 8.281 0.02 . . . . . . 71 . . . 6152 1 808 . 1 1 71 71 CYS N N 15 125.532 0.2 . . . . . . 71 . . . 6152 1 809 . 1 1 72 72 GLY CA C 13 46.208 0.2 . . . . . . 72 . . . 6152 1 810 . 1 1 72 72 GLY C C 13 168.469 0.2 . . . . . . 72 . . . 6152 1 811 . 1 1 72 72 GLY HA2 H 1 4.224 0.02 . . . . . . 72 . . . 6152 1 812 . 1 1 72 72 GLY HA3 H 1 3.542 0.02 . . . . . . 72 . . . 6152 1 813 . 1 1 72 72 GLY H H 1 6.685 0.02 . . . . . . 72 . . . 6152 1 814 . 1 1 72 72 GLY N N 15 102.015 0.2 . . . . . . 72 . . . 6152 1 815 . 1 1 73 73 ASP CA C 13 51.142 0.2 . . . . . . 73 . . . 6152 1 816 . 1 1 73 73 ASP CB C 13 42.42 0.2 . . . . . . 73 . . . 6152 1 817 . 1 1 73 73 ASP C C 13 175.33 0.2 . . . . . . 73 . . . 6152 1 818 . 1 1 73 73 ASP HA H 1 4.941 0.02 . . . . . . 73 . . . 6152 1 819 . 1 1 73 73 ASP HB2 H 1 3.846 0.02 . . . . . . 73 . . . 6152 1 820 . 1 1 73 73 ASP HB3 H 1 3.05 0.02 . . . . . . 73 . . . 6152 1 821 . 1 1 73 73 ASP H H 1 7.23 0.02 . . . . . . 73 . . . 6152 1 822 . 1 1 73 73 ASP N N 15 119.464 0.2 . . . . . . 73 . . . 6152 1 823 . 1 1 74 74 TYR CA C 13 63.046 0.2 . . . . . . 74 . . . 6152 1 824 . 1 1 74 74 TYR CB C 13 39.25 0.2 . . . . . . 74 . . . 6152 1 825 . 1 1 74 74 TYR C C 13 175.823 0.2 . . . . . . 74 . . . 6152 1 826 . 1 1 74 74 TYR HA H 1 3.78 0.02 . . . . . . 74 . . . 6152 1 827 . 1 1 74 74 TYR HB2 H 1 2.865 0.02 . . . . . . 74 . . . 6152 1 828 . 1 1 74 74 TYR HD1 H 1 6.763 0.02 . . . . . . 74 . . . 6152 1 829 . 1 1 74 74 TYR HE1 H 1 6.8 0.02 . . . . . . 74 . . . 6152 1 830 . 1 1 74 74 TYR H H 1 8.995 0.02 . . . . . . 74 . . . 6152 1 831 . 1 1 74 74 TYR N N 15 117.956 0.2 . . . . . . 74 . . . 6152 1 832 . 1 1 75 75 GLU CA C 13 59.817 0.2 . . . . . . 75 . . . 6152 1 833 . 1 1 75 75 GLU CB C 13 29.199 0.2 . . . . . . 75 . . . 6152 1 834 . 1 1 75 75 GLU CG C 13 36.899 0.2 . . . . . . 75 . . . 6152 1 835 . 1 1 75 75 GLU C C 13 179.818 0.2 . . . . . . 75 . . . 6152 1 836 . 1 1 75 75 GLU HA H 1 3.615 0.02 . . . . . . 75 . . . 6152 1 837 . 1 1 75 75 GLU HB2 H 1 2.104 0.02 . . . . . . 75 . . . 6152 1 838 . 1 1 75 75 GLU HB3 H 1 2 0.02 . . . . . . 75 . . . 6152 1 839 . 1 1 75 75 GLU HG2 H 1 2.403 0.02 . . . . . . 75 . . . 6152 1 840 . 1 1 75 75 GLU HG3 H 1 2.283 0.02 . . . . . . 75 . . . 6152 1 841 . 1 1 75 75 GLU H H 1 8.106 0.02 . . . . . . 75 . . . 6152 1 842 . 1 1 75 75 GLU N N 15 116.549 0.2 . . . . . . 75 . . . 6152 1 843 . 1 1 76 76 LEU CA C 13 57.27 0.2 . . . . . . 76 . . . 6152 1 844 . 1 1 76 76 LEU CB C 13 42.692 0.2 . . . . . . 76 . . . 6152 1 845 . 1 1 76 76 LEU CD1 C 13 25.912 0.2 . . . . . . 76 . . . 6152 1 846 . 1 1 76 76 LEU CD2 C 13 22.709 0.2 . . . . . . 76 . . . 6152 1 847 . 1 1 76 76 LEU CG C 13 26.991 0.2 . . . . . . 76 . . . 6152 1 848 . 1 1 76 76 LEU C C 13 178.439 0.2 . . . . . . 76 . . . 6152 1 849 . 1 1 76 76 LEU HA H 1 3.99 0.02 . . . . . . 76 . . . 6152 1 850 . 1 1 76 76 LEU HB2 H 1 1.784 0.02 . . . . . . 76 . . . 6152 1 851 . 1 1 76 76 LEU HB3 H 1 1.69 0.02 . . . . . . 76 . . . 6152 1 852 . 1 1 76 76 LEU HD11 H 1 1.162 0.02 . . . . . . 76 . . . 6152 1 853 . 1 1 76 76 LEU HD12 H 1 1.162 0.02 . . . . . . 76 . . . 6152 1 854 . 1 1 76 76 LEU HD13 H 1 1.162 0.02 . . . . . . 76 . . . 6152 1 855 . 1 1 76 76 LEU HD21 H 1 0.959 0.02 . . . . . . 76 . . . 6152 1 856 . 1 1 76 76 LEU HD22 H 1 0.959 0.02 . . . . . . 76 . . . 6152 1 857 . 1 1 76 76 LEU HD23 H 1 0.959 0.02 . . . . . . 76 . . . 6152 1 858 . 1 1 76 76 LEU HG H 1 2.018 0.02 . . . . . . 76 . . . 6152 1 859 . 1 1 76 76 LEU H H 1 7.921 0.02 . . . . . . 76 . . . 6152 1 860 . 1 1 76 76 LEU N N 15 118.976 0.2 . . . . . . 76 . . . 6152 1 861 . 1 1 77 77 PHE CA C 13 60.956 0.2 . . . . . . 77 . . . 6152 1 862 . 1 1 77 77 PHE CB C 13 38.433 0.2 . . . . . . 77 . . . 6152 1 863 . 1 1 77 77 PHE C C 13 175.818 0.2 . . . . . . 77 . . . 6152 1 864 . 1 1 77 77 PHE HA H 1 2.837 0.02 . . . . . . 77 . . . 6152 1 865 . 1 1 77 77 PHE HB2 H 1 3.004 0.02 . . . . . . 77 . . . 6152 1 866 . 1 1 77 77 PHE HB3 H 1 2.679 0.02 . . . . . . 77 . . . 6152 1 867 . 1 1 77 77 PHE HD1 H 1 6.83 0.02 . . . . . . 77 . . . 6152 1 868 . 1 1 77 77 PHE HE1 H 1 7.032 0.02 . . . . . . 77 . . . 6152 1 869 . 1 1 77 77 PHE H H 1 8.201 0.02 . . . . . . 77 . . . 6152 1 870 . 1 1 77 77 PHE HZ H 1 6.904 0.02 . . . . . . 77 . . . 6152 1 871 . 1 1 77 77 PHE N N 15 122.923 0.2 . . . . . . 77 . . . 6152 1 872 . 1 1 78 78 VAL CA C 13 66.372 0.2 . . . . . . 78 . . . 6152 1 873 . 1 1 78 78 VAL CB C 13 30.968 0.2 . . . . . . 78 . . . 6152 1 874 . 1 1 78 78 VAL CG1 C 13 21.66 0.2 . . . . . . 78 . . . 6152 1 875 . 1 1 78 78 VAL CG2 C 13 21.543 0.2 . . . . . . 78 . . . 6152 1 876 . 1 1 78 78 VAL C C 13 178.527 0.2 . . . . . . 78 . . . 6152 1 877 . 1 1 78 78 VAL HA H 1 3.105 0.02 . . . . . . 78 . . . 6152 1 878 . 1 1 78 78 VAL HB H 1 1.708 0.02 . . . . . . 78 . . . 6152 1 879 . 1 1 78 78 VAL HG11 H 1 0.648 0.02 . . . . . . 78 . . . 6152 1 880 . 1 1 78 78 VAL HG12 H 1 0.648 0.02 . . . . . . 78 . . . 6152 1 881 . 1 1 78 78 VAL HG13 H 1 0.648 0.02 . . . . . . 78 . . . 6152 1 882 . 1 1 78 78 VAL HG21 H 1 0.497 0.02 . . . . . . 78 . . . 6152 1 883 . 1 1 78 78 VAL HG22 H 1 0.497 0.02 . . . . . . 78 . . . 6152 1 884 . 1 1 78 78 VAL HG23 H 1 0.497 0.02 . . . . . . 78 . . . 6152 1 885 . 1 1 78 78 VAL H H 1 8.314 0.02 . . . . . . 78 . . . 6152 1 886 . 1 1 78 78 VAL N N 15 117.405 0.2 . . . . . . 78 . . . 6152 1 887 . 1 1 79 79 GLU CA C 13 59.321 0.2 . . . . . . 79 . . . 6152 1 888 . 1 1 79 79 GLU CB C 13 29.528 0.2 . . . . . . 79 . . . 6152 1 889 . 1 1 79 79 GLU CG C 13 36.396 0.2 . . . . . . 79 . . . 6152 1 890 . 1 1 79 79 GLU C C 13 177.199 0.2 . . . . . . 79 . . . 6152 1 891 . 1 1 79 79 GLU HA H 1 3.879 0.02 . . . . . . 79 . . . 6152 1 892 . 1 1 79 79 GLU HB2 H 1 1.891 0.02 . . . . . . 79 . . . 6152 1 893 . 1 1 79 79 GLU HG2 H 1 2.198 0.02 . . . . . . 79 . . . 6152 1 894 . 1 1 79 79 GLU HG3 H 1 1.97 0.02 . . . . . . 79 . . . 6152 1 895 . 1 1 79 79 GLU H H 1 7.186 0.02 . . . . . . 79 . . . 6152 1 896 . 1 1 79 79 GLU N N 15 120.35 0.2 . . . . . . 79 . . . 6152 1 897 . 1 1 80 80 ALA CA C 13 54.007 0.2 . . . . . . 80 . . . 6152 1 898 . 1 1 80 80 ALA CB C 13 18.241 0.2 . . . . . . 80 . . . 6152 1 899 . 1 1 80 80 ALA C C 13 180.234 0.2 . . . . . . 80 . . . 6152 1 900 . 1 1 80 80 ALA HA H 1 3.899 0.02 . . . . . . 80 . . . 6152 1 901 . 1 1 80 80 ALA HB1 H 1 0.799 0.02 . . . . . . 80 . . . 6152 1 902 . 1 1 80 80 ALA HB2 H 1 0.799 0.02 . . . . . . 80 . . . 6152 1 903 . 1 1 80 80 ALA HB3 H 1 0.799 0.02 . . . . . . 80 . . . 6152 1 904 . 1 1 80 80 ALA H H 1 7.145 0.02 . . . . . . 80 . . . 6152 1 905 . 1 1 80 80 ALA N N 15 121.454 0.2 . . . . . . 80 . . . 6152 1 906 . 1 1 81 81 VAL CA C 13 66.352 0.2 . . . . . . 81 . . . 6152 1 907 . 1 1 81 81 VAL CB C 13 31.468 0.2 . . . . . . 81 . . . 6152 1 908 . 1 1 81 81 VAL CG1 C 13 21.144 0.2 . . . . . . 81 . . . 6152 1 909 . 1 1 81 81 VAL CG2 C 13 23.948 0.2 . . . . . . 81 . . . 6152 1 910 . 1 1 81 81 VAL C C 13 180.62 0.2 . . . . . . 81 . . . 6152 1 911 . 1 1 81 81 VAL HA H 1 3.263 0.02 . . . . . . 81 . . . 6152 1 912 . 1 1 81 81 VAL HB H 1 1.916 0.02 . . . . . . 81 . . . 6152 1 913 . 1 1 81 81 VAL HG11 H 1 0.751 0.02 . . . . . . 81 . . . 6152 1 914 . 1 1 81 81 VAL HG12 H 1 0.751 0.02 . . . . . . 81 . . . 6152 1 915 . 1 1 81 81 VAL HG13 H 1 0.751 0.02 . . . . . . 81 . . . 6152 1 916 . 1 1 81 81 VAL HG21 H 1 0.342 0.02 . . . . . . 81 . . . 6152 1 917 . 1 1 81 81 VAL HG22 H 1 0.342 0.02 . . . . . . 81 . . . 6152 1 918 . 1 1 81 81 VAL HG23 H 1 0.342 0.02 . . . . . . 81 . . . 6152 1 919 . 1 1 81 81 VAL H H 1 7.777 0.02 . . . . . . 81 . . . 6152 1 920 . 1 1 81 81 VAL N N 15 117.95 0.2 . . . . . . 81 . . . 6152 1 921 . 1 1 82 82 GLU CA C 13 59.313 0.2 . . . . . . 82 . . . 6152 1 922 . 1 1 82 82 GLU CB C 13 29.375 0.2 . . . . . . 82 . . . 6152 1 923 . 1 1 82 82 GLU CG C 13 36.228 0.2 . . . . . . 82 . . . 6152 1 924 . 1 1 82 82 GLU C C 13 178.525 0.2 . . . . . . 82 . . . 6152 1 925 . 1 1 82 82 GLU HA H 1 3.859 0.02 . . . . . . 82 . . . 6152 1 926 . 1 1 82 82 GLU HB2 H 1 1.973 0.02 . . . . . . 82 . . . 6152 1 927 . 1 1 82 82 GLU HB3 H 1 2.067 0.02 . . . . . . 82 . . . 6152 1 928 . 1 1 82 82 GLU HG2 H 1 2.301 0.02 . . . . . . 82 . . . 6152 1 929 . 1 1 82 82 GLU HG3 H 1 2.156 0.02 . . . . . . 82 . . . 6152 1 930 . 1 1 82 82 GLU H H 1 8.147 0.02 . . . . . . 82 . . . 6152 1 931 . 1 1 82 82 GLU N N 15 120.979 0.2 . . . . . . 82 . . . 6152 1 932 . 1 1 83 83 GLN CA C 13 55.291 0.2 . . . . . . 83 . . . 6152 1 933 . 1 1 83 83 GLN CB C 13 28.6 0.2 . . . . . . 83 . . . 6152 1 934 . 1 1 83 83 GLN CD C 13 180.623 0.2 . . . . . . 83 . . . 6152 1 935 . 1 1 83 83 GLN CG C 13 33.844 0.2 . . . . . . 83 . . . 6152 1 936 . 1 1 83 83 GLN C C 13 175.234 0.2 . . . . . . 83 . . . 6152 1 937 . 1 1 83 83 GLN HA H 1 4.169 0.02 . . . . . . 83 . . . 6152 1 938 . 1 1 83 83 GLN HB2 H 1 2.2 0.02 . . . . . . 83 . . . 6152 1 939 . 1 1 83 83 GLN HB3 H 1 1.913 0.02 . . . . . . 83 . . . 6152 1 940 . 1 1 83 83 GLN HE21 H 1 6.744 0.02 . . . . . . 83 . . . 6152 1 941 . 1 1 83 83 GLN HE22 H 1 7.503 0.02 . . . . . . 83 . . . 6152 1 942 . 1 1 83 83 GLN HG2 H 1 2.47 0.02 . . . . . . 83 . . . 6152 1 943 . 1 1 83 83 GLN H H 1 8.108 0.02 . . . . . . 83 . . . 6152 1 944 . 1 1 83 83 GLN N N 15 114.893 0.2 . . . . . . 83 . . . 6152 1 945 . 1 1 83 83 GLN NE2 N 15 111.873 0.2 . . . . . . 83 . . . 6152 1 946 . 1 1 84 84 ASN CA C 13 54.13 0.2 . . . . . . 84 . . . 6152 1 947 . 1 1 84 84 ASN CB C 13 37.107 0.2 . . . . . . 84 . . . 6152 1 948 . 1 1 84 84 ASN CG C 13 178.909 0.2 . . . . . . 84 . . . 6152 1 949 . 1 1 84 84 ASN C C 13 175.639 0.2 . . . . . . 84 . . . 6152 1 950 . 1 1 84 84 ASN HA H 1 4.485 0.02 . . . . . . 84 . . . 6152 1 951 . 1 1 84 84 ASN HB2 H 1 3.337 0.02 . . . . . . 84 . . . 6152 1 952 . 1 1 84 84 ASN HB3 H 1 2.669 0.02 . . . . . . 84 . . . 6152 1 953 . 1 1 84 84 ASN HD21 H 1 6.865 0.02 . . . . . . 84 . . . 6152 1 954 . 1 1 84 84 ASN HD22 H 1 7.633 0.02 . . . . . . 84 . . . 6152 1 955 . 1 1 84 84 ASN H H 1 7.816 0.02 . . . . . . 84 . . . 6152 1 956 . 1 1 84 84 ASN N N 15 116.258 0.2 . . . . . . 84 . . . 6152 1 957 . 1 1 84 84 ASN ND2 N 15 112.371 0.2 . . . . . . 84 . . . 6152 1 958 . 1 1 85 85 THR CA C 13 59.951 0.2 . . . . . . 85 . . . 6152 1 959 . 1 1 85 85 THR CB C 13 67.709 0.2 . . . . . . 85 . . . 6152 1 960 . 1 1 85 85 THR CG2 C 13 21.364 0.2 . . . . . . 85 . . . 6152 1 961 . 1 1 85 85 THR C C 13 175.691 0.2 . . . . . . 85 . . . 6152 1 962 . 1 1 85 85 THR HA H 1 4.836 0.02 . . . . . . 85 . . . 6152 1 963 . 1 1 85 85 THR HB H 1 4.629 0.02 . . . . . . 85 . . . 6152 1 964 . 1 1 85 85 THR HG21 H 1 1.005 0.02 . . . . . . 85 . . . 6152 1 965 . 1 1 85 85 THR HG22 H 1 1.005 0.02 . . . . . . 85 . . . 6152 1 966 . 1 1 85 85 THR HG23 H 1 1.005 0.02 . . . . . . 85 . . . 6152 1 967 . 1 1 85 85 THR H H 1 8.898 0.02 . . . . . . 85 . . . 6152 1 968 . 1 1 85 85 THR N N 15 109.658 0.2 . . . . . . 85 . . . 6152 1 969 . 1 1 86 86 LEU CA C 13 58.575 0.2 . . . . . . 86 . . . 6152 1 970 . 1 1 86 86 LEU CB C 13 42.238 0.2 . . . . . . 86 . . . 6152 1 971 . 1 1 86 86 LEU CD1 C 13 24.82 0.2 . . . . . . 86 . . . 6152 1 972 . 1 1 86 86 LEU CD2 C 13 23.669 0.2 . . . . . . 86 . . . 6152 1 973 . 1 1 86 86 LEU CG C 13 26.412 0.2 . . . . . . 86 . . . 6152 1 974 . 1 1 86 86 LEU C C 13 177.833 0.2 . . . . . . 86 . . . 6152 1 975 . 1 1 86 86 LEU HA H 1 3.838 0.02 . . . . . . 86 . . . 6152 1 976 . 1 1 86 86 LEU HB2 H 1 1.591 0.02 . . . . . . 86 . . . 6152 1 977 . 1 1 86 86 LEU HB3 H 1 1.208 0.02 . . . . . . 86 . . . 6152 1 978 . 1 1 86 86 LEU HD11 H 1 0.59 0.02 . . . . . . 86 . . . 6152 1 979 . 1 1 86 86 LEU HD12 H 1 0.59 0.02 . . . . . . 86 . . . 6152 1 980 . 1 1 86 86 LEU HD13 H 1 0.59 0.02 . . . . . . 86 . . . 6152 1 981 . 1 1 86 86 LEU HD21 H 1 0.556 0.02 . . . . . . 86 . . . 6152 1 982 . 1 1 86 86 LEU HD22 H 1 0.556 0.02 . . . . . . 86 . . . 6152 1 983 . 1 1 86 86 LEU HD23 H 1 0.556 0.02 . . . . . . 86 . . . 6152 1 984 . 1 1 86 86 LEU HG H 1 1.416 0.02 . . . . . . 86 . . . 6152 1 985 . 1 1 86 86 LEU H H 1 7.799 0.02 . . . . . . 86 . . . 6152 1 986 . 1 1 86 86 LEU N N 15 122.795 0.2 . . . . . . 86 . . . 6152 1 987 . 1 1 87 87 GLN CA C 13 59.95 0.2 . . . . . . 87 . . . 6152 1 988 . 1 1 87 87 GLN CB C 13 27.558 0.2 . . . . . . 87 . . . 6152 1 989 . 1 1 87 87 GLN CD C 13 179.56 0.2 . . . . . . 87 . . . 6152 1 990 . 1 1 87 87 GLN CG C 13 34.25 0.2 . . . . . . 87 . . . 6152 1 991 . 1 1 87 87 GLN C C 13 177.839 0.2 . . . . . . 87 . . . 6152 1 992 . 1 1 87 87 GLN HA H 1 3.732 0.02 . . . . . . 87 . . . 6152 1 993 . 1 1 87 87 GLN HB2 H 1 1.968 0.02 . . . . . . 87 . . . 6152 1 994 . 1 1 87 87 GLN HB3 H 1 2.009 0.02 . . . . . . 87 . . . 6152 1 995 . 1 1 87 87 GLN HE21 H 1 6.703 0.02 . . . . . . 87 . . . 6152 1 996 . 1 1 87 87 GLN HE22 H 1 7.532 0.02 . . . . . . 87 . . . 6152 1 997 . 1 1 87 87 GLN HG2 H 1 2.328 0.02 . . . . . . 87 . . . 6152 1 998 . 1 1 87 87 GLN H H 1 8.576 0.02 . . . . . . 87 . . . 6152 1 999 . 1 1 87 87 GLN N N 15 116.167 0.2 . . . . . . 87 . . . 6152 1 1000 . 1 1 87 87 GLN NE2 N 15 110.674 0.2 . . . . . . 87 . . . 6152 1 1001 . 1 1 88 88 GLU CA C 13 59.662 0.2 . . . . . . 88 . . . 6152 1 1002 . 1 1 88 88 GLU CB C 13 29.057 0.2 . . . . . . 88 . . . 6152 1 1003 . 1 1 88 88 GLU CG C 13 36.871 0.2 . . . . . . 88 . . . 6152 1 1004 . 1 1 88 88 GLU C C 13 180.162 0.2 . . . . . . 88 . . . 6152 1 1005 . 1 1 88 88 GLU HA H 1 4.048 0.02 . . . . . . 88 . . . 6152 1 1006 . 1 1 88 88 GLU HB2 H 1 2.143 0.02 . . . . . . 88 . . . 6152 1 1007 . 1 1 88 88 GLU HB3 H 1 1.992 0.02 . . . . . . 88 . . . 6152 1 1008 . 1 1 88 88 GLU HG2 H 1 2.367 0.02 . . . . . . 88 . . . 6152 1 1009 . 1 1 88 88 GLU HG3 H 1 2.18 0.02 . . . . . . 88 . . . 6152 1 1010 . 1 1 88 88 GLU H H 1 8.341 0.02 . . . . . . 88 . . . 6152 1 1011 . 1 1 88 88 GLU N N 15 119.521 0.2 . . . . . . 88 . . . 6152 1 1012 . 1 1 89 89 PHE CA C 13 61.273 0.2 . . . . . . 89 . . . 6152 1 1013 . 1 1 89 89 PHE CB C 13 39.787 0.2 . . . . . . 89 . . . 6152 1 1014 . 1 1 89 89 PHE C C 13 176.732 0.2 . . . . . . 89 . . . 6152 1 1015 . 1 1 89 89 PHE HA H 1 4.122 0.02 . . . . . . 89 . . . 6152 1 1016 . 1 1 89 89 PHE HB2 H 1 3.413 0.02 . . . . . . 89 . . . 6152 1 1017 . 1 1 89 89 PHE HB3 H 1 2.961 0.02 . . . . . . 89 . . . 6152 1 1018 . 1 1 89 89 PHE HD1 H 1 7.081 0.02 . . . . . . 89 . . . 6152 1 1019 . 1 1 89 89 PHE HE1 H 1 6.697 0.02 . . . . . . 89 . . . 6152 1 1020 . 1 1 89 89 PHE H H 1 8.644 0.02 . . . . . . 89 . . . 6152 1 1021 . 1 1 89 89 PHE N N 15 123.891 0.2 . . . . . . 89 . . . 6152 1 1022 . 1 1 90 90 LEU CA C 13 54.709 0.2 . . . . . . 90 . . . 6152 1 1023 . 1 1 90 90 LEU CB C 13 41.931 0.2 . . . . . . 90 . . . 6152 1 1024 . 1 1 90 90 LEU CD1 C 13 22.665 0.2 . . . . . . 90 . . . 6152 1 1025 . 1 1 90 90 LEU CD2 C 13 26.428 0.2 . . . . . . 90 . . . 6152 1 1026 . 1 1 90 90 LEU CG C 13 26.675 0.2 . . . . . . 90 . . . 6152 1 1027 . 1 1 90 90 LEU C C 13 174.124 0.2 . . . . . . 90 . . . 6152 1 1028 . 1 1 90 90 LEU HA H 1 4.087 0.02 . . . . . . 90 . . . 6152 1 1029 . 1 1 90 90 LEU HB2 H 1 1.691 0.02 . . . . . . 90 . . . 6152 1 1030 . 1 1 90 90 LEU HD11 H 1 0.974 0.02 . . . . . . 90 . . . 6152 1 1031 . 1 1 90 90 LEU HD12 H 1 0.974 0.02 . . . . . . 90 . . . 6152 1 1032 . 1 1 90 90 LEU HD13 H 1 0.974 0.02 . . . . . . 90 . . . 6152 1 1033 . 1 1 90 90 LEU HD21 H 1 0.876 0.02 . . . . . . 90 . . . 6152 1 1034 . 1 1 90 90 LEU HD22 H 1 0.876 0.02 . . . . . . 90 . . . 6152 1 1035 . 1 1 90 90 LEU HD23 H 1 0.876 0.02 . . . . . . 90 . . . 6152 1 1036 . 1 1 90 90 LEU HG H 1 2.201 0.02 . . . . . . 90 . . . 6152 1 1037 . 1 1 90 90 LEU H H 1 8.105 0.02 . . . . . . 90 . . . 6152 1 1038 . 1 1 90 90 LEU N N 15 114.241 0.2 . . . . . . 90 . . . 6152 1 1039 . 1 1 91 91 LYS CA C 13 56.413 0.2 . . . . . . 91 . . . 6152 1 1040 . 1 1 91 91 LYS CB C 13 28.648 0.2 . . . . . . 91 . . . 6152 1 1041 . 1 1 91 91 LYS CD C 13 29.139 0.2 . . . . . . 91 . . . 6152 1 1042 . 1 1 91 91 LYS CE C 13 42.805 0.2 . . . . . . 91 . . . 6152 1 1043 . 1 1 91 91 LYS CG C 13 25.032 0.2 . . . . . . 91 . . . 6152 1 1044 . 1 1 91 91 LYS C C 13 175.812 0.2 . . . . . . 91 . . . 6152 1 1045 . 1 1 91 91 LYS HA H 1 3.86 0.02 . . . . . . 91 . . . 6152 1 1046 . 1 1 91 91 LYS HB2 H 1 1.919 0.02 . . . . . . 91 . . . 6152 1 1047 . 1 1 91 91 LYS HB3 H 1 1.772 0.02 . . . . . . 91 . . . 6152 1 1048 . 1 1 91 91 LYS HD2 H 1 1.384 0.02 . . . . . . 91 . . . 6152 1 1049 . 1 1 91 91 LYS HE2 H 1 2.922 0.02 . . . . . . 91 . . . 6152 1 1050 . 1 1 91 91 LYS HG2 H 1 1.253 0.02 . . . . . . 91 . . . 6152 1 1051 . 1 1 91 91 LYS HG3 H 1 1.204 0.02 . . . . . . 91 . . . 6152 1 1052 . 1 1 91 91 LYS H H 1 7.657 0.02 . . . . . . 91 . . . 6152 1 1053 . 1 1 91 91 LYS N N 15 112.387 0.2 . . . . . . 91 . . . 6152 1 1054 . 1 1 92 92 LEU CA C 13 54.683 0.2 . . . . . . 92 . . . 6152 1 1055 . 1 1 92 92 LEU CB C 13 42.654 0.2 . . . . . . 92 . . . 6152 1 1056 . 1 1 92 92 LEU CD1 C 13 25.771 0.2 . . . . . . 92 . . . 6152 1 1057 . 1 1 92 92 LEU CD2 C 13 22.626 0.2 . . . . . . 92 . . . 6152 1 1058 . 1 1 92 92 LEU C C 13 177.261 0.2 . . . . . . 92 . . . 6152 1 1059 . 1 1 92 92 LEU HA H 1 4.247 0.02 . . . . . . 92 . . . 6152 1 1060 . 1 1 92 92 LEU HB2 H 1 1.551 0.02 . . . . . . 92 . . . 6152 1 1061 . 1 1 92 92 LEU HD11 H 1 0.887 0.02 . . . . . . 92 . . . 6152 1 1062 . 1 1 92 92 LEU HD12 H 1 0.887 0.02 . . . . . . 92 . . . 6152 1 1063 . 1 1 92 92 LEU HD13 H 1 0.887 0.02 . . . . . . 92 . . . 6152 1 1064 . 1 1 92 92 LEU HD21 H 1 0.809 0.02 . . . . . . 92 . . . 6152 1 1065 . 1 1 92 92 LEU HD22 H 1 0.809 0.02 . . . . . . 92 . . . 6152 1 1066 . 1 1 92 92 LEU HD23 H 1 0.809 0.02 . . . . . . 92 . . . 6152 1 1067 . 1 1 92 92 LEU H H 1 7.698 0.02 . . . . . . 92 . . . 6152 1 1068 . 1 1 92 92 LEU N N 15 115.988 0.2 . . . . . . 92 . . . 6152 1 1069 . 1 1 93 93 ALA CA C 13 52.07 0.2 . . . . . . 93 . . . 6152 1 1070 . 1 1 93 93 ALA CB C 13 19.253 0.2 . . . . . . 93 . . . 6152 1 1071 . 1 1 93 93 ALA C C 13 177.302 0.2 . . . . . . 93 . . . 6152 1 1072 . 1 1 93 93 ALA HA H 1 4.255 0.02 . . . . . . 93 . . . 6152 1 1073 . 1 1 93 93 ALA HB1 H 1 1.257 0.02 . . . . . . 93 . . . 6152 1 1074 . 1 1 93 93 ALA HB2 H 1 1.257 0.02 . . . . . . 93 . . . 6152 1 1075 . 1 1 93 93 ALA HB3 H 1 1.257 0.02 . . . . . . 93 . . . 6152 1 1076 . 1 1 93 93 ALA H H 1 8.013 0.02 . . . . . . 93 . . . 6152 1 1077 . 1 1 93 93 ALA N N 15 123.057 0.2 . . . . . . 93 . . . 6152 1 1078 . 1 1 94 94 LEU CA C 13 55.193 0.2 . . . . . . 94 . . . 6152 1 1079 . 1 1 94 94 LEU CB C 13 42.305 0.2 . . . . . . 94 . . . 6152 1 1080 . 1 1 94 94 LEU CD1 C 13 24.899 0.2 . . . . . . 94 . . . 6152 1 1081 . 1 1 94 94 LEU CD2 C 13 23.318 0.2 . . . . . . 94 . . . 6152 1 1082 . 1 1 94 94 LEU CG C 13 26.951 0.2 . . . . . . 94 . . . 6152 1 1083 . 1 1 94 94 LEU C C 13 177.437 0.2 . . . . . . 94 . . . 6152 1 1084 . 1 1 94 94 LEU HA H 1 4.178 0.02 . . . . . . 94 . . . 6152 1 1085 . 1 1 94 94 LEU HB2 H 1 1.532 0.02 . . . . . . 94 . . . 6152 1 1086 . 1 1 94 94 LEU HB3 H 1 1.454 0.02 . . . . . . 94 . . . 6152 1 1087 . 1 1 94 94 LEU HD11 H 1 0.845 0.02 . . . . . . 94 . . . 6152 1 1088 . 1 1 94 94 LEU HD12 H 1 0.845 0.02 . . . . . . 94 . . . 6152 1 1089 . 1 1 94 94 LEU HD13 H 1 0.845 0.02 . . . . . . 94 . . . 6152 1 1090 . 1 1 94 94 LEU HD21 H 1 0.782 0.02 . . . . . . 94 . . . 6152 1 1091 . 1 1 94 94 LEU HD22 H 1 0.782 0.02 . . . . . . 94 . . . 6152 1 1092 . 1 1 94 94 LEU HD23 H 1 0.782 0.02 . . . . . . 94 . . . 6152 1 1093 . 1 1 94 94 LEU HG H 1 1.538 0.02 . . . . . . 94 . . . 6152 1 1094 . 1 1 94 94 LEU H H 1 8.143 0.02 . . . . . . 94 . . . 6152 1 1095 . 1 1 94 94 LEU N N 15 121.587 0.2 . . . . . . 94 . . . 6152 1 1096 . 1 1 95 95 GLU CA C 13 56.381 0.2 . . . . . . 95 . . . 6152 1 1097 . 1 1 95 95 GLU CB C 13 30.199 0.2 . . . . . . 95 . . . 6152 1 1098 . 1 1 95 95 GLU CG C 13 36.095 0.2 . . . . . . 95 . . . 6152 1 1099 . 1 1 95 95 GLU C C 13 176.111 0.2 . . . . . . 95 . . . 6152 1 1100 . 1 1 95 95 GLU HA H 1 4.141 0.02 . . . . . . 95 . . . 6152 1 1101 . 1 1 95 95 GLU HB2 H 1 1.828 0.02 . . . . . . 95 . . . 6152 1 1102 . 1 1 95 95 GLU HG2 H 1 2.12 0.02 . . . . . . 95 . . . 6152 1 1103 . 1 1 95 95 GLU HG3 H 1 2.074 0.02 . . . . . . 95 . . . 6152 1 1104 . 1 1 95 95 GLU H H 1 8.361 0.02 . . . . . . 95 . . . 6152 1 1105 . 1 1 95 95 GLU N N 15 120.919 0.2 . . . . . . 95 . . . 6152 1 stop_ save_