data_5314 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5314 _Entry.Title ; Assignment of 1H, 13C, and 15N Resonances of the SH2 Domain of Human Grb14 and Chemical Shift Changes upon Binding a phosphorylated decapeptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-08 _Entry.Accession_date 2002-03-08 _Entry.Last_release_date 2002-12-23 _Entry.Original_release_date 2002-12-23 _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 Paul Scharf . J. . 5314 2 Barbara Lyons . A. . 5314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 726 5314 '13C chemical shifts' 232 5314 '15N chemical shifts' 112 5314 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 . . 2002-12-23 2002-03-08 original author . 5314 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5314 _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 ; Letter to the editor: Assignment of backbone 1H, 13C, and 15N Resonances of the SH2 Domain of Human Grb14 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 3 _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 275 _Citation.Page_last 276 _Citation.Year 2002 _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 Paul Scharf . J. . 5314 1 2 Barbara Lyons . A. . 5314 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Grb14 5314 1 'Growth Factor Receptor Bound' 5314 1 'Src homology 2' 5314 1 'NMR Assignments' 5314 1 FGFR 5314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Grb14_SH2_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Grb14_SH2_domain _Assembly.Entry_ID 5314 _Assembly.ID 1 _Assembly.Name 'Grb14 SH2 domain/phosphorylated undecapeptide complex' _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 complex 5314 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 'Grb14 SH2 domain' 1 $Grb14 . . . native . . . . . 5314 1 2 'phosphorylated peptide' 2 $pY-766 . . . native . . . . . 5314 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Grb14 SH2 domain/phosphorylated undecapeptide complex' system 5314 1 'Grb14 SH2 domain' abbreviation 5314 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'signalling adapter' 5314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Grb14 _Entity.Sf_category entity _Entity.Sf_framecode Grb14 _Entity.Entry_ID 5314 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Grb14 _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 ; GSSSATNMAIHRSQPWFHHK ISRDEAQRLIIQQGLVDGVF LVRDSQSNPKTFVLSMSHGQ KIKHFQIIPVEDDGEMFHTL DDGHTRFTDLIQLVEFYQLN KGVLPCKLKHYCARIAL ; _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 117 _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT Q14449 . 'Growth factor receptor-bound protein 14 (GRB14 adapter protein)' . . . . . 98.29 540 100.00 100.00 2.75e-63 . . . . 5314 1 . . SWISS-PROT Q5ICW4 . 'Growth factor receptor-bound protein 14 (GRB14 adapter protein)' . . . . . 94.02 540 98.18 100.00 9.30e-60 . . . . 5314 1 . . REF XP_001151613 . 'PREDICTED: growth factor receptor-bound protein 14 isoform 2 [Pan troglodytes]' . . . . . 94.87 450 98.20 100.00 4.54e-60 . . . . 5314 1 . . REF XP_001151683 . 'PREDICTED: growth factor receptor-bound protein 14 isoform 3 [Pan troglodytes]' . . . . . 98.29 495 100.00 100.00 4.24e-63 . . . . 5314 1 . . REF NP_004481 . 'growth factor receptor-bound protein 14 [Homo sapiens]' . . . . . 98.29 540 100.00 100.00 2.75e-63 . . . . 5314 1 . . REF XP_001151426 . 'PREDICTED: growth factor receptor-bound protein 14 isoform 1 [Pan troglodytes]' . . . . . 94.87 491 98.20 100.00 4.58e-60 . . . . 5314 1 . . GenBank ACE86896 . 'growth factor receptor-bound protein 14 protein [synthetic construct]' . . . . . 98.29 540 100.00 100.00 2.75e-63 . . . . 5314 1 . . REF NP_001011681 . 'growth factor receptor-bound protein 14 [Bos taurus]' . . . . . 94.02 540 98.18 100.00 9.30e-60 . . . . 5314 1 . . GenBank AAW47246 . 'retinal growth factor receptor bound protein-14 [Bos taurus]' . . . . . 94.02 540 98.18 100.00 9.30e-60 . . . . 5314 1 . . GenBank AAY24176 . 'unknown [Homo sapiens]' . . . . . 98.29 172 100.00 100.00 3.47e-63 . . . . 5314 1 . . GenBank AAC15861 . 'Grb14 [Homo sapiens]' . . . . . 98.29 540 100.00 100.00 2.75e-63 . . . . 5314 1 . . GenBank AAH53559 . 'Growth factor receptor-bound protein 14 [Homo sapiens]' . . . . . 98.29 540 100.00 100.00 2.75e-63 . . . . 5314 1 . . PDB 2AUG . 'Crystal Structure Of The Grb14 Sh2 Domain' . . . . . 89.74 126 100.00 100.00 1.91e-56 . . . . 5314 1 . . DBJ BAG35971 . 'unnamed protein product [Homo sapiens]' . . . . . 98.29 540 99.13 99.13 1.01e-61 . . . . 5314 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Grb14 common 5314 1 Grb14 abbreviation 5314 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 -2 GLY . 5314 1 2 -1 SER . 5314 1 3 1 SER . 5314 1 4 2 SER . 5314 1 5 3 ALA . 5314 1 6 4 THR . 5314 1 7 5 ASN . 5314 1 8 6 MET . 5314 1 9 7 ALA . 5314 1 10 8 ILE . 5314 1 11 9 HIS . 5314 1 12 10 ARG . 5314 1 13 11 SER . 5314 1 14 12 GLN . 5314 1 15 13 PRO . 5314 1 16 14 TRP . 5314 1 17 15 PHE . 5314 1 18 16 HIS . 5314 1 19 17 HIS . 5314 1 20 18 LYS . 5314 1 21 19 ILE . 5314 1 22 20 SER . 5314 1 23 21 ARG . 5314 1 24 22 ASP . 5314 1 25 23 GLU . 5314 1 26 24 ALA . 5314 1 27 25 GLN . 5314 1 28 26 ARG . 5314 1 29 27 LEU . 5314 1 30 28 ILE . 5314 1 31 29 ILE . 5314 1 32 30 GLN . 5314 1 33 31 GLN . 5314 1 34 32 GLY . 5314 1 35 33 LEU . 5314 1 36 34 VAL . 5314 1 37 35 ASP . 5314 1 38 36 GLY . 5314 1 39 37 VAL . 5314 1 40 38 PHE . 5314 1 41 39 LEU . 5314 1 42 40 VAL . 5314 1 43 41 ARG . 5314 1 44 42 ASP . 5314 1 45 43 SER . 5314 1 46 44 GLN . 5314 1 47 45 SER . 5314 1 48 46 ASN . 5314 1 49 47 PRO . 5314 1 50 48 LYS . 5314 1 51 49 THR . 5314 1 52 50 PHE . 5314 1 53 51 VAL . 5314 1 54 52 LEU . 5314 1 55 53 SER . 5314 1 56 54 MET . 5314 1 57 55 SER . 5314 1 58 56 HIS . 5314 1 59 57 GLY . 5314 1 60 58 GLN . 5314 1 61 59 LYS . 5314 1 62 60 ILE . 5314 1 63 61 LYS . 5314 1 64 62 HIS . 5314 1 65 63 PHE . 5314 1 66 64 GLN . 5314 1 67 65 ILE . 5314 1 68 66 ILE . 5314 1 69 67 PRO . 5314 1 70 68 VAL . 5314 1 71 69 GLU . 5314 1 72 70 ASP . 5314 1 73 71 ASP . 5314 1 74 72 GLY . 5314 1 75 73 GLU . 5314 1 76 74 MET . 5314 1 77 75 PHE . 5314 1 78 76 HIS . 5314 1 79 77 THR . 5314 1 80 78 LEU . 5314 1 81 79 ASP . 5314 1 82 80 ASP . 5314 1 83 81 GLY . 5314 1 84 82 HIS . 5314 1 85 83 THR . 5314 1 86 84 ARG . 5314 1 87 85 PHE . 5314 1 88 86 THR . 5314 1 89 87 ASP . 5314 1 90 88 LEU . 5314 1 91 89 ILE . 5314 1 92 90 GLN . 5314 1 93 91 LEU . 5314 1 94 92 VAL . 5314 1 95 93 GLU . 5314 1 96 94 PHE . 5314 1 97 95 TYR . 5314 1 98 96 GLN . 5314 1 99 97 LEU . 5314 1 100 98 ASN . 5314 1 101 99 LYS . 5314 1 102 100 GLY . 5314 1 103 101 VAL . 5314 1 104 102 LEU . 5314 1 105 103 PRO . 5314 1 106 104 CYS . 5314 1 107 105 LYS . 5314 1 108 106 LEU . 5314 1 109 107 LYS . 5314 1 110 108 HIS . 5314 1 111 109 TYR . 5314 1 112 110 CYS . 5314 1 113 111 ALA . 5314 1 114 112 ARG . 5314 1 115 113 ILE . 5314 1 116 114 ALA . 5314 1 117 115 LEU . 5314 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 . GLY 1 1 5314 1 . SER 2 2 5314 1 . SER 3 3 5314 1 . SER 4 4 5314 1 . ALA 5 5 5314 1 . THR 6 6 5314 1 . ASN 7 7 5314 1 . MET 8 8 5314 1 . ALA 9 9 5314 1 . ILE 10 10 5314 1 . HIS 11 11 5314 1 . ARG 12 12 5314 1 . SER 13 13 5314 1 . GLN 14 14 5314 1 . PRO 15 15 5314 1 . TRP 16 16 5314 1 . PHE 17 17 5314 1 . HIS 18 18 5314 1 . HIS 19 19 5314 1 . LYS 20 20 5314 1 . ILE 21 21 5314 1 . SER 22 22 5314 1 . ARG 23 23 5314 1 . ASP 24 24 5314 1 . GLU 25 25 5314 1 . ALA 26 26 5314 1 . GLN 27 27 5314 1 . ARG 28 28 5314 1 . LEU 29 29 5314 1 . ILE 30 30 5314 1 . ILE 31 31 5314 1 . GLN 32 32 5314 1 . GLN 33 33 5314 1 . GLY 34 34 5314 1 . LEU 35 35 5314 1 . VAL 36 36 5314 1 . ASP 37 37 5314 1 . GLY 38 38 5314 1 . VAL 39 39 5314 1 . PHE 40 40 5314 1 . LEU 41 41 5314 1 . VAL 42 42 5314 1 . ARG 43 43 5314 1 . ASP 44 44 5314 1 . SER 45 45 5314 1 . GLN 46 46 5314 1 . SER 47 47 5314 1 . ASN 48 48 5314 1 . PRO 49 49 5314 1 . LYS 50 50 5314 1 . THR 51 51 5314 1 . PHE 52 52 5314 1 . VAL 53 53 5314 1 . LEU 54 54 5314 1 . SER 55 55 5314 1 . MET 56 56 5314 1 . SER 57 57 5314 1 . HIS 58 58 5314 1 . GLY 59 59 5314 1 . GLN 60 60 5314 1 . LYS 61 61 5314 1 . ILE 62 62 5314 1 . LYS 63 63 5314 1 . HIS 64 64 5314 1 . PHE 65 65 5314 1 . GLN 66 66 5314 1 . ILE 67 67 5314 1 . ILE 68 68 5314 1 . PRO 69 69 5314 1 . VAL 70 70 5314 1 . GLU 71 71 5314 1 . ASP 72 72 5314 1 . ASP 73 73 5314 1 . GLY 74 74 5314 1 . GLU 75 75 5314 1 . MET 76 76 5314 1 . PHE 77 77 5314 1 . HIS 78 78 5314 1 . THR 79 79 5314 1 . LEU 80 80 5314 1 . ASP 81 81 5314 1 . ASP 82 82 5314 1 . GLY 83 83 5314 1 . HIS 84 84 5314 1 . THR 85 85 5314 1 . ARG 86 86 5314 1 . PHE 87 87 5314 1 . THR 88 88 5314 1 . ASP 89 89 5314 1 . LEU 90 90 5314 1 . ILE 91 91 5314 1 . GLN 92 92 5314 1 . LEU 93 93 5314 1 . VAL 94 94 5314 1 . GLU 95 95 5314 1 . PHE 96 96 5314 1 . TYR 97 97 5314 1 . GLN 98 98 5314 1 . LEU 99 99 5314 1 . ASN 100 100 5314 1 . LYS 101 101 5314 1 . GLY 102 102 5314 1 . VAL 103 103 5314 1 . LEU 104 104 5314 1 . PRO 105 105 5314 1 . CYS 106 106 5314 1 . LYS 107 107 5314 1 . LEU 108 108 5314 1 . LYS 109 109 5314 1 . HIS 110 110 5314 1 . TYR 111 111 5314 1 . CYS 112 112 5314 1 . ALA 113 113 5314 1 . ARG 114 114 5314 1 . ILE 115 115 5314 1 . ALA 116 116 5314 1 . LEU 117 117 5314 1 stop_ save_ save_pY-766 _Entity.Sf_category entity _Entity.Sf_framecode pY-766 _Entity.Entry_ID 5314 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name pY-766 _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 TSNQEXLDLSM _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 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1356 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2002-12-29 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID pY-766 common 5314 2 pY-766 abbreviation 5314 2 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 . THR . 5314 2 2 . SER . 5314 2 3 . ASN . 5314 2 4 . GLN . 5314 2 5 . GLU . 5314 2 6 . PTR . 5314 2 7 . LEU . 5314 2 8 . ASP . 5314 2 9 . LEU . 5314 2 10 . SER . 5314 2 11 . MET . 5314 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . THR 1 1 5314 2 . SER 2 2 5314 2 . ASN 3 3 5314 2 . GLN 4 4 5314 2 . GLU 5 5 5314 2 . PTR 6 6 5314 2 . LEU 7 7 5314 2 . ASP 8 8 5314 2 . LEU 9 9 5314 2 . SER 10 10 5314 2 . MET 11 11 5314 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5314 _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 $Grb14 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5314 1 2 2 $pY-766 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5314 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 5314 _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 $Grb14 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5314 1 2 2 $pY-766 . 'recombinant technology' . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . 5314 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 5314 _Chem_comp.ID PTR _Chem_comp.Provenance . _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code PTR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code Y _Chem_comp.Three_letter_code PTR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID TYR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:36:27 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 5314 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 5314 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 5314 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5314 PTR c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 5314 PTR InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.03 5314 PTR DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 5314 PTR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 5314 PTR '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5314 PTR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 5314 PTR CA . CA . . C . . S 0 . . . . no no . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 5314 PTR C . C . . C . . N 0 . . . . no no . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 5314 PTR O . O . . O . . N 0 . . . . no no . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 5314 PTR OXT . OXT . . O . . N 0 . . . . no yes . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 5314 PTR CB . CB . . C . . N 0 . . . . no no . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 5314 PTR CG . CG . . C . . N 0 . . . . yes no . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 5314 PTR CD1 . CD1 . . C . . N 0 . . . . yes no . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 5314 PTR CD2 . CD2 . . C . . N 0 . . . . yes no . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 5314 PTR CE1 . CE1 . . C . . N 0 . . . . yes no . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 5314 PTR CE2 . CE2 . . C . . N 0 . . . . yes no . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 5314 PTR CZ . CZ . . C . . N 0 . . . . yes no . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 5314 PTR OH . OH . . O . . N 0 . . . . no no . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 5314 PTR P . P . . P . . N 0 . . . . no no . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 5314 PTR O1P . O1P . . O . . N 0 . . . . no no . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 5314 PTR O2P . O2P . . O . . N 0 . . . . no no . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 5314 PTR O3P . O3P . . O . . N 0 . . . . no no . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 5314 PTR H . H . . H . . N 0 . . . . no no . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 5314 PTR HN2 . HN2 . . H . . N 0 . . . . no yes . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 5314 PTR HA . HA . . H . . N 0 . . . . no no . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 5314 PTR HXT . HXT . . H . . N 0 . . . . no yes . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 5314 PTR HB2 . HB2 . . H . . N 0 . . . . no no . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 5314 PTR HB3 . HB3 . . H . . N 0 . . . . no no . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 5314 PTR HD1 . HD1 . . H . . N 0 . . . . no no . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 5314 PTR HD2 . HD2 . . H . . N 0 . . . . no no . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 5314 PTR HE1 . HE1 . . H . . N 0 . . . . no no . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 5314 PTR HE2 . HE2 . . H . . N 0 . . . . no no . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 5314 PTR HO2P . HO2P . . H . . N 0 . . . . no no . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 5314 PTR HO3P . HO3P . . H . . N 0 . . . . no no . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 5314 PTR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 5314 PTR 2 . SING N H no N 2 . 5314 PTR 3 . SING N HN2 no N 3 . 5314 PTR 4 . SING CA C no N 4 . 5314 PTR 5 . SING CA CB no N 5 . 5314 PTR 6 . SING CA HA no N 6 . 5314 PTR 7 . DOUB C O no N 7 . 5314 PTR 8 . SING C OXT no N 8 . 5314 PTR 9 . SING OXT HXT no N 9 . 5314 PTR 10 . SING CB CG no N 10 . 5314 PTR 11 . SING CB HB2 no N 11 . 5314 PTR 12 . SING CB HB3 no N 12 . 5314 PTR 13 . DOUB CG CD1 yes N 13 . 5314 PTR 14 . SING CG CD2 yes N 14 . 5314 PTR 15 . SING CD1 CE1 yes N 15 . 5314 PTR 16 . SING CD1 HD1 no N 16 . 5314 PTR 17 . DOUB CD2 CE2 yes N 17 . 5314 PTR 18 . SING CD2 HD2 no N 18 . 5314 PTR 19 . DOUB CE1 CZ yes N 19 . 5314 PTR 20 . SING CE1 HE1 no N 20 . 5314 PTR 21 . SING CE2 CZ yes N 21 . 5314 PTR 22 . SING CE2 HE2 no N 22 . 5314 PTR 23 . SING CZ OH no N 23 . 5314 PTR 24 . SING OH P no N 24 . 5314 PTR 25 . DOUB P O1P no N 25 . 5314 PTR 26 . SING P O2P no N 26 . 5314 PTR 27 . SING P O3P no N 27 . 5314 PTR 28 . SING O2P HO2P no N 28 . 5314 PTR 29 . SING O3P HO3P no N 29 . 5314 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5314 _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 Grb14 '[U-98% 13C; U-98% 15N]' . . 1 $Grb14 . . 0.8 . . mM . . . . 5314 1 2 pY-766 . . . 2 $pY-766 . . 0.8 . . mM . . . . 5314 1 3 'sodium acetate' . . . . . . . 50 . . mM . . . . 5314 1 4 NaCl . . . . . . . 100 . . mM . . . . 5314 1 stop_ save_ ####################### # Sample conditions # ####################### save_Experimental_Conditions_I _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Experimental_Conditions_I _Sample_condition_list.Entry_ID 5314 _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 5.5 0.1 n/a 5314 1 temperature 298 1 K 5314 1 'ionic strength' 0.15 0.02 M 5314 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 5314 _Software.ID 1 _Software.Name ANSIG _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5314 1 assignment 5314 1 analysis 5314 1 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 5314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5314 _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 Varian INOVA . 500 . . . 5314 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 5314 _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 '3D HNCA' . . . . . . . . . . . 1 $Sample_1 . . . 1 $Experimental_Conditions_I . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5314 1 2 '3D HN(CO)CA' . . . . . . . . . . . 1 $Sample_1 . . . 1 $Experimental_Conditions_I . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5314 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . 1 $Sample_1 . . . 1 $Experimental_Conditions_I . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5314 1 4 '3D CBCANH' . . . . . . . . . . . 1 $Sample_1 . . . 1 $Experimental_Conditions_I . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5314 1 5 '3D C(CO)NH' . . . . . . . . . . . 1 $Sample_1 . . . 1 $Experimental_Conditions_I . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5314 1 6 'N HSQC TOCSY' . . . . . . . . . . . 1 $Sample_1 . . . 1 $Experimental_Conditions_I . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5314 1 7 'N HSQC NOESY' . . . . . . . . . . . 1 $Sample_1 . . . 1 $Experimental_Conditions_I . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5314 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5314 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $ANSIG _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5314 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $ANSIG _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5314 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $ANSIG _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5314 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCANH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $ANSIG _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5314 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $ANSIG _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5314 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'N HSQC TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $ANSIG _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5314 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'N HSQC NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $ANSIG _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5314 _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 5314 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5314 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5314 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_Shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shift_set_1 _Assigned_chem_shift_list.Entry_ID 5314 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Experimental_Conditions_I _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 . 5314 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 41.90 0.03 . 1 . . . . . . . . 5314 1 2 . 1 1 2 2 SER H H 1 8.65 0.03 . 1 . . . . . . . . 5314 1 3 . 1 1 2 2 SER HA H 1 4.17 0.03 . 1 . . . . . . . . 5314 1 4 . 1 1 2 2 SER HB2 H 1 3.13 0.03 . 1 . . . . . . . . 5314 1 5 . 1 1 2 2 SER HB3 H 1 3.23 0.03 . 1 . . . . . . . . 5314 1 6 . 1 1 2 2 SER CA C 13 56.94 0.03 . 1 . . . . . . . . 5314 1 7 . 1 1 2 2 SER CB C 13 62.54 0.03 . 1 . . . . . . . . 5314 1 8 . 1 1 2 2 SER N N 15 116.73 0.03 . 1 . . . . . . . . 5314 1 9 . 1 1 3 3 SER H H 1 8.52 0.03 . 1 . . . . . . . . 5314 1 10 . 1 1 3 3 SER HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 11 . 1 1 3 3 SER HB2 H 1 3.93 0.03 . 1 . . . . . . . . 5314 1 12 . 1 1 3 3 SER HB3 H 1 3.93 0.03 . 1 . . . . . . . . 5314 1 13 . 1 1 3 3 SER CA C 13 56.94 0.03 . 1 . . . . . . . . 5314 1 14 . 1 1 3 3 SER CB C 13 62.82 0.03 . 1 . . . . . . . . 5314 1 15 . 1 1 3 3 SER N N 15 118.26 0.03 . 1 . . . . . . . . 5314 1 16 . 1 1 4 4 SER H H 1 8.34 0.03 . 1 . . . . . . . . 5314 1 17 . 1 1 4 4 SER HA H 1 4.72 0.03 . 1 . . . . . . . . 5314 1 18 . 1 1 4 4 SER HB2 H 1 3.93 0.03 . 1 . . . . . . . . 5314 1 19 . 1 1 4 4 SER HB3 H 1 3.93 0.03 . 1 . . . . . . . . 5314 1 20 . 1 1 4 4 SER CA C 13 56.67 0.03 . 1 . . . . . . . . 5314 1 21 . 1 1 4 4 SER CB C 13 62.20 0.03 . 1 . . . . . . . . 5314 1 22 . 1 1 4 4 SER N N 15 118.83 0.03 . 1 . . . . . . . . 5314 1 23 . 1 1 5 5 ALA H H 1 8.36 0.03 . 1 . . . . . . . . 5314 1 24 . 1 1 5 5 ALA HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 25 . 1 1 5 5 ALA HB1 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 26 . 1 1 5 5 ALA HB2 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 27 . 1 1 5 5 ALA HB3 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 28 . 1 1 5 5 ALA CA C 13 51.47 0.03 . 1 . . . . . . . . 5314 1 29 . 1 1 5 5 ALA CB C 13 17.58 0.03 . 1 . . . . . . . . 5314 1 30 . 1 1 5 5 ALA N N 15 126.45 0.03 . 1 . . . . . . . . 5314 1 31 . 1 1 6 6 THR H H 1 8.08 0.03 . 1 . . . . . . . . 5314 1 32 . 1 1 6 6 THR HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 33 . 1 1 6 6 THR HB H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 34 . 1 1 6 6 THR HG21 H 1 1.28 0.03 . 1 . . . . . . . . 5314 1 35 . 1 1 6 6 THR HG22 H 1 1.28 0.03 . 1 . . . . . . . . 5314 1 36 . 1 1 6 6 THR HG23 H 1 1.28 0.03 . 1 . . . . . . . . 5314 1 37 . 1 1 6 6 THR CA C 13 60.78 0.03 . 1 . . . . . . . . 5314 1 38 . 1 1 6 6 THR CB C 13 68.58 0.03 . 1 . . . . . . . . 5314 1 39 . 1 1 6 6 THR CG2 C 13 20.12 0.03 . 1 . . . . . . . . 5314 1 40 . 1 1 6 6 THR N N 15 112.83 0.03 . 1 . . . . . . . . 5314 1 41 . 1 1 7 7 ASN H H 1 8.36 0.03 . 1 . . . . . . . . 5314 1 42 . 1 1 7 7 ASN HA H 1 4.72 0.03 . 1 . . . . . . . . 5314 1 43 . 1 1 7 7 ASN HB2 H 1 2.83 0.03 . 1 . . . . . . . . 5314 1 44 . 1 1 7 7 ASN HB3 H 1 2.83 0.03 . 1 . . . . . . . . 5314 1 45 . 1 1 7 7 ASN CA C 13 52.02 0.03 . 1 . . . . . . . . 5314 1 46 . 1 1 7 7 ASN CB C 13 37.32 0.03 . 1 . . . . . . . . 5314 1 47 . 1 1 7 7 ASN N N 15 119.61 0.03 . 1 . . . . . . . . 5314 1 48 . 1 1 8 8 MET H H 1 8.26 0.03 . 1 . . . . . . . . 5314 1 49 . 1 1 8 8 MET HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 50 . 1 1 8 8 MET HB2 H 1 2.01 0.03 . 1 . . . . . . . . 5314 1 51 . 1 1 8 8 MET HB3 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 52 . 1 1 8 8 MET HG2 H 1 2.57 0.03 . 1 . . . . . . . . 5314 1 53 . 1 1 8 8 MET HG3 H 1 2.57 0.03 . 1 . . . . . . . . 5314 1 54 . 1 1 8 8 MET CA C 13 54.20 0.03 . 1 . . . . . . . . 5314 1 55 . 1 1 8 8 MET CB C 13 30.96 0.03 . 1 . . . . . . . . 5314 1 56 . 1 1 8 8 MET N N 15 121.02 0.03 . 1 . . . . . . . . 5314 1 57 . 1 1 9 9 ALA H H 1 8.21 0.03 . 1 . . . . . . . . 5314 1 58 . 1 1 9 9 ALA HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 59 . 1 1 9 9 ALA HB1 H 1 1.16 0.03 . 1 . . . . . . . . 5314 1 60 . 1 1 9 9 ALA HB2 H 1 1.16 0.03 . 1 . . . . . . . . 5314 1 61 . 1 1 9 9 ALA HB3 H 1 1.16 0.03 . 1 . . . . . . . . 5314 1 62 . 1 1 9 9 ALA CA C 13 50.92 0.03 . 1 . . . . . . . . 5314 1 63 . 1 1 9 9 ALA CB C 13 17.58 0.03 . 1 . . . . . . . . 5314 1 64 . 1 1 9 9 ALA N N 15 123.70 0.03 . 1 . . . . . . . . 5314 1 65 . 1 1 10 10 ILE H H 1 8.04 0.03 . 1 . . . . . . . . 5314 1 66 . 1 1 10 10 ILE HA H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 67 . 1 1 10 10 ILE HB H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 68 . 1 1 10 10 ILE HG12 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 69 . 1 1 10 10 ILE HG13 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 70 . 1 1 10 10 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 71 . 1 1 10 10 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 72 . 1 1 10 10 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 73 . 1 1 10 10 ILE HD11 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 74 . 1 1 10 10 ILE HD12 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 75 . 1 1 10 10 ILE HD13 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 76 . 1 1 10 10 ILE CA C 13 61.04 0.03 . 1 . . . . . . . . 5314 1 77 . 1 1 10 10 ILE CB C 13 37.08 0.03 . 1 . . . . . . . . 5314 1 78 . 1 1 10 10 ILE N N 15 119.61 0.03 . 1 . . . . . . . . 5314 1 79 . 1 1 11 11 HIS H H 1 8.36 0.03 . 1 . . . . . . . . 5314 1 80 . 1 1 11 11 HIS HA H 1 4.54 0.03 . 1 . . . . . . . . 5314 1 81 . 1 1 11 11 HIS HB2 H 1 2.82 0.03 . 1 . . . . . . . . 5314 1 82 . 1 1 11 11 HIS HB3 H 1 2.82 0.03 . 1 . . . . . . . . 5314 1 83 . 1 1 11 11 HIS CA C 13 56.67 0.03 . 1 . . . . . . . . 5314 1 84 . 1 1 11 11 HIS CB C 13 25.82 0.03 . 1 . . . . . . . . 5314 1 85 . 1 1 11 11 HIS N N 15 118.27 0.03 . 1 . . . . . . . . 5314 1 86 . 1 1 12 12 ARG H H 1 8.59 0.03 . 1 . . . . . . . . 5314 1 87 . 1 1 12 12 ARG HA H 1 4.54 0.03 . 1 . . . . . . . . 5314 1 88 . 1 1 12 12 ARG HB2 H 1 1.64 0.03 . 1 . . . . . . . . 5314 1 89 . 1 1 12 12 ARG HB3 H 1 1.64 0.03 . 1 . . . . . . . . 5314 1 90 . 1 1 12 12 ARG CA C 13 56.94 0.03 . 1 . . . . . . . . 5314 1 91 . 1 1 12 12 ARG CB C 13 25.82 0.03 . 1 . . . . . . . . 5314 1 92 . 1 1 12 12 ARG N N 15 117.60 0.03 . 1 . . . . . . . . 5314 1 93 . 1 1 13 13 SER H H 1 8.41 0.03 . 1 . . . . . . . . 5314 1 94 . 1 1 13 13 SER HA H 1 4.54 0.03 . 1 . . . . . . . . 5314 1 95 . 1 1 13 13 SER HB2 H 1 3.88 0.03 . 1 . . . . . . . . 5314 1 96 . 1 1 13 13 SER HB3 H 1 4.08 0.03 . 1 . . . . . . . . 5314 1 97 . 1 1 13 13 SER CA C 13 57.48 0.03 . 1 . . . . . . . . 5314 1 98 . 1 1 13 13 SER CB C 13 61.84 0.03 . 1 . . . . . . . . 5314 1 99 . 1 1 13 13 SER N N 15 117.10 0.03 . 1 . . . . . . . . 5314 1 100 . 1 1 14 14 GLN H H 1 8.10 0.03 . 1 . . . . . . . . 5314 1 101 . 1 1 14 14 GLN HA H 1 3.98 0.03 . 1 . . . . . . . . 5314 1 102 . 1 1 14 14 GLN HB2 H 1 2.21 0.03 . 1 . . . . . . . . 5314 1 103 . 1 1 14 14 GLN HB3 H 1 2.21 0.03 . 1 . . . . . . . . 5314 1 104 . 1 1 14 14 GLN HG2 H 1 2.58 0.03 . 1 . . . . . . . . 5314 1 105 . 1 1 14 14 GLN HG3 H 1 2.58 0.03 . 1 . . . . . . . . 5314 1 106 . 1 1 14 14 GLN CA C 13 53.93 0.03 . 1 . . . . . . . . 5314 1 107 . 1 1 14 14 GLN CB C 13 27.52 0.03 . 1 . . . . . . . . 5314 1 108 . 1 1 14 14 GLN N N 15 121.90 0.03 . 1 . . . . . . . . 5314 1 109 . 1 1 15 15 PRO HD2 H 1 3.51 0.03 . 1 . . . . . . . . 5314 1 110 . 1 1 15 15 PRO CA C 13 61.68 0.03 . 1 . . . . . . . . 5314 1 111 . 1 1 15 15 PRO CB C 13 32.58 0.03 . 1 . . . . . . . . 5314 1 112 . 1 1 16 16 TRP H H 1 8.43 0.03 . 1 . . . . . . . . 5314 1 113 . 1 1 16 16 TRP HA H 1 5.38 0.03 . 1 . . . . . . . . 5314 1 114 . 1 1 16 16 TRP HB2 H 1 2.76 0.03 . 1 . . . . . . . . 5314 1 115 . 1 1 16 16 TRP HB3 H 1 2.95 0.03 . 1 . . . . . . . . 5314 1 116 . 1 1 16 16 TRP CA C 13 57.22 0.03 . 1 . . . . . . . . 5314 1 117 . 1 1 16 16 TRP CB C 13 25.82 0.03 . 1 . . . . . . . . 5314 1 118 . 1 1 16 16 TRP N N 15 120.68 0.03 . 1 . . . . . . . . 5314 1 119 . 1 1 17 17 PHE H H 1 10.59 0.03 . 1 . . . . . . . . 5314 1 120 . 1 1 17 17 PHE HA H 1 4.07 0.03 . 1 . . . . . . . . 5314 1 121 . 1 1 17 17 PHE HB2 H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 122 . 1 1 17 17 PHE HB3 H 1 3.13 0.03 . 1 . . . . . . . . 5314 1 123 . 1 1 17 17 PHE CA C 13 53.93 0.03 . 1 . . . . . . . . 5314 1 124 . 1 1 17 17 PHE CB C 13 37.07 0.03 . 1 . . . . . . . . 5314 1 125 . 1 1 17 17 PHE N N 15 122.34 0.03 . 1 . . . . . . . . 5314 1 126 . 1 1 18 18 HIS H H 1 8.28 0.03 . 1 . . . . . . . . 5314 1 127 . 1 1 18 18 HIS HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 128 . 1 1 18 18 HIS HB2 H 1 2.76 0.03 . 1 . . . . . . . . 5314 1 129 . 1 1 18 18 HIS HB3 H 1 2.85 0.03 . 1 . . . . . . . . 5314 1 130 . 1 1 18 18 HIS CA C 13 50.65 0.03 . 1 . . . . . . . . 5314 1 131 . 1 1 18 18 HIS CB C 13 26.94 0.03 . 1 . . . . . . . . 5314 1 132 . 1 1 18 18 HIS N N 15 122.34 0.03 . 1 . . . . . . . . 5314 1 133 . 1 1 19 19 HIS H H 1 7.99 0.03 . 1 . . . . . . . . 5314 1 134 . 1 1 19 19 HIS HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 135 . 1 1 19 19 HIS HB2 H 1 2.95 0.03 . 1 . . . . . . . . 5314 1 136 . 1 1 19 19 HIS HB3 H 1 3.23 0.03 . 1 . . . . . . . . 5314 1 137 . 1 1 19 19 HIS CA C 13 52.84 0.03 . 1 . . . . . . . . 5314 1 138 . 1 1 19 19 HIS CB C 13 28.08 0.03 . 1 . . . . . . . . 5314 1 139 . 1 1 19 19 HIS N N 15 120.95 0.03 . 1 . . . . . . . . 5314 1 140 . 1 1 20 20 LYS H H 1 9.28 0.03 . 1 . . . . . . . . 5314 1 141 . 1 1 20 20 LYS HA H 1 3.98 0.03 . 1 . . . . . . . . 5314 1 142 . 1 1 20 20 LYS HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 143 . 1 1 20 20 LYS HB3 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 144 . 1 1 20 20 LYS HG2 H 1 1.16 0.03 . 1 . . . . . . . . 5314 1 145 . 1 1 20 20 LYS HG3 H 1 1.16 0.03 . 1 . . . . . . . . 5314 1 146 . 1 1 20 20 LYS HD2 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 147 . 1 1 20 20 LYS HD3 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 148 . 1 1 20 20 LYS CA C 13 55.58 0.03 . 1 . . . . . . . . 5314 1 149 . 1 1 20 20 LYS CB C 13 32.58 0.03 . 1 . . . . . . . . 5314 1 150 . 1 1 20 20 LYS N N 15 123.80 0.03 . 1 . . . . . . . . 5314 1 151 . 1 1 21 21 ILE H H 1 7.40 0.03 . 1 . . . . . . . . 5314 1 152 . 1 1 21 21 ILE HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 153 . 1 1 21 21 ILE HB H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 154 . 1 1 21 21 ILE HG12 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 155 . 1 1 21 21 ILE HG13 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 156 . 1 1 21 21 ILE HG21 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 157 . 1 1 21 21 ILE HG22 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 158 . 1 1 21 21 ILE HG23 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 159 . 1 1 21 21 ILE HD11 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 160 . 1 1 21 21 ILE HD12 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 161 . 1 1 21 21 ILE HD13 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 162 . 1 1 21 21 ILE CA C 13 58.31 0.03 . 1 . . . . . . . . 5314 1 163 . 1 1 21 21 ILE CB C 13 35.95 0.03 . 1 . . . . . . . . 5314 1 164 . 1 1 21 21 ILE N N 15 114.71 0.03 . 1 . . . . . . . . 5314 1 165 . 1 1 22 22 SER H H 1 8.71 0.03 . 1 . . . . . . . . 5314 1 166 . 1 1 22 22 SER HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 167 . 1 1 22 22 SER HB2 H 1 3.98 0.03 . 1 . . . . . . . . 5314 1 168 . 1 1 22 22 SER HB3 H 1 3.98 0.03 . 1 . . . . . . . . 5314 1 169 . 1 1 22 22 SER CA C 13 55.03 0.03 . 1 . . . . . . . . 5314 1 170 . 1 1 22 22 SER CB C 13 61.56 0.03 . 1 . . . . . . . . 5314 1 171 . 1 1 22 22 SER N N 15 119.79 0.03 . 1 . . . . . . . . 5314 1 172 . 1 1 23 23 ARG H H 1 8.87 0.03 . 1 . . . . . . . . 5314 1 173 . 1 1 23 23 ARG HA H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 174 . 1 1 23 23 ARG HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 175 . 1 1 23 23 ARG HB3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 176 . 1 1 23 23 ARG HG2 H 1 1.26 0.03 . 1 . . . . . . . . 5314 1 177 . 1 1 23 23 ARG HG3 H 1 1.26 0.03 . 1 . . . . . . . . 5314 1 178 . 1 1 23 23 ARG HD2 H 1 3.03 0.03 . 1 . . . . . . . . 5314 1 179 . 1 1 23 23 ARG HD3 H 1 3.03 0.03 . 1 . . . . . . . . 5314 1 180 . 1 1 23 23 ARG CA C 13 58.58 0.03 . 1 . . . . . . . . 5314 1 181 . 1 1 23 23 ARG CB C 13 27.78 0.03 . 1 . . . . . . . . 5314 1 182 . 1 1 23 23 ARG N N 15 121.12 0.03 . 1 . . . . . . . . 5314 1 183 . 1 1 24 24 ASP H H 1 8.29 0.03 . 1 . . . . . . . . 5314 1 184 . 1 1 24 24 ASP HA H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 185 . 1 1 24 24 ASP HB2 H 1 2.57 0.03 . 1 . . . . . . . . 5314 1 186 . 1 1 24 24 ASP HB3 H 1 3.51 0.03 . 1 . . . . . . . . 5314 1 187 . 1 1 24 24 ASP CA C 13 55.85 0.03 . 1 . . . . . . . . 5314 1 188 . 1 1 24 24 ASP CB C 13 39.32 0.03 . 1 . . . . . . . . 5314 1 189 . 1 1 24 24 ASP N N 15 118.38 0.03 . 1 . . . . . . . . 5314 1 190 . 1 1 25 25 GLU H H 1 8.00 0.03 . 1 . . . . . . . . 5314 1 191 . 1 1 25 25 GLU HA H 1 3.88 0.03 . 1 . . . . . . . . 5314 1 192 . 1 1 25 25 GLU HB2 H 1 1.91 0.03 . 1 . . . . . . . . 5314 1 193 . 1 1 25 25 GLU HB3 H 1 1.91 0.03 . 1 . . . . . . . . 5314 1 194 . 1 1 25 25 GLU HG2 H 1 2.20 0.03 . 1 . . . . . . . . 5314 1 195 . 1 1 25 25 GLU HG3 H 1 2.20 0.03 . 1 . . . . . . . . 5314 1 196 . 1 1 25 25 GLU CA C 13 56.95 0.03 . 1 . . . . . . . . 5314 1 197 . 1 1 25 25 GLU CB C 13 28.63 0.03 . 1 . . . . . . . . 5314 1 198 . 1 1 25 25 GLU N N 15 122.46 0.03 . 1 . . . . . . . . 5314 1 199 . 1 1 26 26 ALA H H 1 8.41 0.03 . 1 . . . . . . . . 5314 1 200 . 1 1 26 26 ALA HA H 1 3.79 0.03 . 1 . . . . . . . . 5314 1 201 . 1 1 26 26 ALA HB1 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 202 . 1 1 26 26 ALA HB2 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 203 . 1 1 26 26 ALA HB3 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 204 . 1 1 26 26 ALA CA C 13 53.39 0.03 . 1 . . . . . . . . 5314 1 205 . 1 1 26 26 ALA CB C 13 16.27 0.03 . 1 . . . . . . . . 5314 1 206 . 1 1 26 26 ALA N N 15 121.12 0.03 . 1 . . . . . . . . 5314 1 207 . 1 1 27 27 GLN H H 1 8.02 0.03 . 1 . . . . . . . . 5314 1 208 . 1 1 27 27 GLN HA H 1 3.79 0.03 . 1 . . . . . . . . 5314 1 209 . 1 1 27 27 GLN HB2 H 1 1.91 0.03 . 1 . . . . . . . . 5314 1 210 . 1 1 27 27 GLN HB3 H 1 2.21 0.03 . 1 . . . . . . . . 5314 1 211 . 1 1 27 27 GLN HG2 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 212 . 1 1 27 27 GLN HG3 H 1 2.85 0.03 . 1 . . . . . . . . 5314 1 213 . 1 1 27 27 GLN CA C 13 58.58 0.03 . 1 . . . . . . . . 5314 1 214 . 1 1 27 27 GLN CB C 13 25.82 0.03 . 1 . . . . . . . . 5314 1 215 . 1 1 27 27 GLN N N 15 114.58 0.03 . 1 . . . . . . . . 5314 1 216 . 1 1 28 28 ARG H H 1 7.92 0.03 . 1 . . . . . . . . 5314 1 217 . 1 1 28 28 ARG HA H 1 3.79 0.03 . 1 . . . . . . . . 5314 1 218 . 1 1 28 28 ARG HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 219 . 1 1 28 28 ARG HB3 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 220 . 1 1 28 28 ARG HG2 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 221 . 1 1 28 28 ARG HG3 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 222 . 1 1 28 28 ARG HD2 H 1 3.13 0.03 . 1 . . . . . . . . 5314 1 223 . 1 1 28 28 ARG HD3 H 1 3.13 0.03 . 1 . . . . . . . . 5314 1 224 . 1 1 28 28 ARG CA C 13 58.58 0.03 . 1 . . . . . . . . 5314 1 225 . 1 1 28 28 ARG CB C 13 28.08 0.03 . 1 . . . . . . . . 5314 1 226 . 1 1 28 28 ARG N N 15 119.86 0.03 . 1 . . . . . . . . 5314 1 227 . 1 1 29 29 LEU H H 1 8.19 0.03 . 1 . . . . . . . . 5314 1 228 . 1 1 29 29 LEU HA H 1 3.88 0.03 . 1 . . . . . . . . 5314 1 229 . 1 1 29 29 LEU HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 230 . 1 1 29 29 LEU HB3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 231 . 1 1 29 29 LEU HG H 1 1.26 0.03 . 1 . . . . . . . . 5314 1 232 . 1 1 29 29 LEU HD11 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 233 . 1 1 29 29 LEU HD12 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 234 . 1 1 29 29 LEU HD13 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 235 . 1 1 29 29 LEU HD21 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 236 . 1 1 29 29 LEU HD22 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 237 . 1 1 29 29 LEU HD23 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 238 . 1 1 29 29 LEU CA C 13 56.40 0.03 . 1 . . . . . . . . 5314 1 239 . 1 1 29 29 LEU CB C 13 43.28 0.03 . 1 . . . . . . . . 5314 1 240 . 1 1 29 29 LEU N N 15 120.14 0.03 . 1 . . . . . . . . 5314 1 241 . 1 1 30 30 ILE H H 1 7.73 0.03 . 1 . . . . . . . . 5314 1 242 . 1 1 30 30 ILE HA H 1 3.51 0.03 . 1 . . . . . . . . 5314 1 243 . 1 1 30 30 ILE HB H 1 2.20 0.03 . 1 . . . . . . . . 5314 1 244 . 1 1 30 30 ILE HG12 H 1 1.63 0.03 . 1 . . . . . . . . 5314 1 245 . 1 1 30 30 ILE HG13 H 1 1.63 0.03 . 1 . . . . . . . . 5314 1 246 . 1 1 30 30 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 247 . 1 1 30 30 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 248 . 1 1 30 30 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 249 . 1 1 30 30 ILE HD11 H 1 0.78 0.03 . 1 . . . . . . . . 5314 1 250 . 1 1 30 30 ILE HD12 H 1 0.78 0.03 . 1 . . . . . . . . 5314 1 251 . 1 1 30 30 ILE HD13 H 1 0.78 0.03 . 1 . . . . . . . . 5314 1 252 . 1 1 30 30 ILE CA C 13 63.78 0.03 . 1 . . . . . . . . 5314 1 253 . 1 1 30 30 ILE CB C 13 37.08 0.03 . 1 . . . . . . . . 5314 1 254 . 1 1 30 30 ILE N N 15 119.50 0.03 . 1 . . . . . . . . 5314 1 255 . 1 1 31 31 ILE H H 1 8.56 0.03 . 1 . . . . . . . . 5314 1 256 . 1 1 31 31 ILE HA H 1 4.06 0.03 . 1 . . . . . . . . 5314 1 257 . 1 1 31 31 ILE HB H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 258 . 1 1 31 31 ILE HG12 H 1 1.44 0.03 . 1 . . . . . . . . 5314 1 259 . 1 1 31 31 ILE HG13 H 1 1.44 0.03 . 1 . . . . . . . . 5314 1 260 . 1 1 31 31 ILE HG21 H 1 0.78 0.03 . 1 . . . . . . . . 5314 1 261 . 1 1 31 31 ILE HG22 H 1 0.78 0.03 . 1 . . . . . . . . 5314 1 262 . 1 1 31 31 ILE HG23 H 1 0.78 0.03 . 1 . . . . . . . . 5314 1 263 . 1 1 31 31 ILE HD11 H 1 0.60 0.03 . 1 . . . . . . . . 5314 1 264 . 1 1 31 31 ILE HD12 H 1 0.60 0.03 . 1 . . . . . . . . 5314 1 265 . 1 1 31 31 ILE HD13 H 1 0.60 0.03 . 1 . . . . . . . . 5314 1 266 . 1 1 31 31 ILE CA C 13 58.31 0.03 . 1 . . . . . . . . 5314 1 267 . 1 1 31 31 ILE CB C 13 35.95 0.03 . 1 . . . . . . . . 5314 1 268 . 1 1 31 31 ILE N N 15 114.71 0.03 . 1 . . . . . . . . 5314 1 269 . 1 1 32 32 GLN H H 1 8.12 0.03 . 1 . . . . . . . . 5314 1 270 . 1 1 32 32 GLN HA H 1 3.98 0.03 . 1 . . . . . . . . 5314 1 271 . 1 1 32 32 GLN HB2 H 1 2.21 0.03 . 1 . . . . . . . . 5314 1 272 . 1 1 32 32 GLN HB3 H 1 2.21 0.03 . 1 . . . . . . . . 5314 1 273 . 1 1 32 32 GLN HG2 H 1 2.48 0.03 . 1 . . . . . . . . 5314 1 274 . 1 1 32 32 GLN HG3 H 1 2.48 0.03 . 1 . . . . . . . . 5314 1 275 . 1 1 32 32 GLN CA C 13 56.67 0.03 . 1 . . . . . . . . 5314 1 276 . 1 1 32 32 GLN CB C 13 26.39 0.03 . 1 . . . . . . . . 5314 1 277 . 1 1 32 32 GLN N N 15 119.79 0.03 . 1 . . . . . . . . 5314 1 278 . 1 1 33 33 GLN H H 1 7.45 0.03 . 1 . . . . . . . . 5314 1 279 . 1 1 33 33 GLN HA H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 280 . 1 1 33 33 GLN HB2 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 281 . 1 1 33 33 GLN HB3 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 282 . 1 1 33 33 GLN HG2 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 283 . 1 1 33 33 GLN HG3 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 284 . 1 1 33 33 GLN CA C 13 54.75 0.03 . 1 . . . . . . . . 5314 1 285 . 1 1 33 33 GLN CB C 13 27.51 0.03 . 1 . . . . . . . . 5314 1 286 . 1 1 33 33 GLN N N 15 117.25 0.03 . 1 . . . . . . . . 5314 1 287 . 1 1 34 34 GLY H H 1 7.98 0.03 . 1 . . . . . . . . 5314 1 288 . 1 1 34 34 GLY HA2 H 1 3.60 0.03 . 1 . . . . . . . . 5314 1 289 . 1 1 34 34 GLY HA3 H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 290 . 1 1 34 34 GLY CA C 13 43.54 0.03 . 1 . . . . . . . . 5314 1 291 . 1 1 34 34 GLY N N 15 107.39 0.03 . 1 . . . . . . . . 5314 1 292 . 1 1 35 35 LEU H H 1 7.92 0.03 . 1 . . . . . . . . 5314 1 293 . 1 1 35 35 LEU HA H 1 3.79 0.03 . 1 . . . . . . . . 5314 1 294 . 1 1 35 35 LEU HB2 H 1 1.54 0.03 . 1 . . . . . . . . 5314 1 295 . 1 1 35 35 LEU HB3 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 296 . 1 1 35 35 LEU HG H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 297 . 1 1 35 35 LEU HD11 H 1 0.32 0.03 . 1 . . . . . . . . 5314 1 298 . 1 1 35 35 LEU HD12 H 1 0.32 0.03 . 1 . . . . . . . . 5314 1 299 . 1 1 35 35 LEU HD13 H 1 0.32 0.03 . 1 . . . . . . . . 5314 1 300 . 1 1 35 35 LEU HD21 H 1 0.60 0.03 . 1 . . . . . . . . 5314 1 301 . 1 1 35 35 LEU HD22 H 1 0.60 0.03 . 1 . . . . . . . . 5314 1 302 . 1 1 35 35 LEU HD23 H 1 0.60 0.03 . 1 . . . . . . . . 5314 1 303 . 1 1 35 35 LEU CA C 13 53.66 0.03 . 1 . . . . . . . . 5314 1 304 . 1 1 35 35 LEU CB C 13 38.75 0.03 . 1 . . . . . . . . 5314 1 305 . 1 1 35 35 LEU N N 15 119.01 0.03 . 1 . . . . . . . . 5314 1 306 . 1 1 36 36 VAL H H 1 7.11 0.03 . 1 . . . . . . . . 5314 1 307 . 1 1 36 36 VAL HA H 1 3.88 0.03 . 1 . . . . . . . . 5314 1 308 . 1 1 36 36 VAL HB H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 309 . 1 1 36 36 VAL HG11 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 310 . 1 1 36 36 VAL HG12 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 311 . 1 1 36 36 VAL HG13 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 312 . 1 1 36 36 VAL HG21 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 313 . 1 1 36 36 VAL HG22 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 314 . 1 1 36 36 VAL HG23 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 315 . 1 1 36 36 VAL CA C 13 59.95 0.03 . 1 . . . . . . . . 5314 1 316 . 1 1 36 36 VAL CB C 13 30.89 0.03 . 1 . . . . . . . . 5314 1 317 . 1 1 36 36 VAL N N 15 122.46 0.03 . 1 . . . . . . . . 5314 1 318 . 1 1 37 37 ASP H H 1 8.86 0.03 . 1 . . . . . . . . 5314 1 319 . 1 1 37 37 ASP HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 320 . 1 1 37 37 ASP HB2 H 1 2.66 0.03 . 1 . . . . . . . . 5314 1 321 . 1 1 37 37 ASP HB3 H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 322 . 1 1 37 37 ASP CA C 13 54.48 0.03 . 1 . . . . . . . . 5314 1 323 . 1 1 37 37 ASP CB C 13 38.20 0.03 . 1 . . . . . . . . 5314 1 324 . 1 1 37 37 ASP N N 15 127.58 0.03 . 1 . . . . . . . . 5314 1 325 . 1 1 38 38 GLY H H 1 9.19 0.03 . 1 . . . . . . . . 5314 1 326 . 1 1 38 38 GLY HA2 H 1 3.41 0.03 . 1 . . . . . . . . 5314 1 327 . 1 1 38 38 GLY HA3 H 1 3.98 0.03 . 1 . . . . . . . . 5314 1 328 . 1 1 38 38 GLY CA C 13 44.36 0.03 . 1 . . . . . . . . 5314 1 329 . 1 1 38 38 GLY N N 15 110.05 0.03 . 1 . . . . . . . . 5314 1 330 . 1 1 39 39 VAL H H 1 7.74 0.03 . 1 . . . . . . . . 5314 1 331 . 1 1 39 39 VAL HA H 1 5.01 0.03 . 1 . . . . . . . . 5314 1 332 . 1 1 39 39 VAL HB H 1 2.20 0.03 . 1 . . . . . . . . 5314 1 333 . 1 1 39 39 VAL HG11 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 334 . 1 1 39 39 VAL HG12 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 335 . 1 1 39 39 VAL HG13 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 336 . 1 1 39 39 VAL HG21 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 337 . 1 1 39 39 VAL HG22 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 338 . 1 1 39 39 VAL HG23 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 339 . 1 1 39 39 VAL CA C 13 61.86 0.03 . 1 . . . . . . . . 5314 1 340 . 1 1 39 39 VAL CB C 13 30.98 0.03 . 1 . . . . . . . . 5314 1 341 . 1 1 39 39 VAL N N 15 123.24 0.03 . 1 . . . . . . . . 5314 1 342 . 1 1 40 40 PHE H H 1 8.12 0.03 . 1 . . . . . . . . 5314 1 343 . 1 1 40 40 PHE HA H 1 6.13 0.03 . 1 . . . . . . . . 5314 1 344 . 1 1 40 40 PHE HB2 H 1 2.76 0.03 . 1 . . . . . . . . 5314 1 345 . 1 1 40 40 PHE HB3 H 1 3.13 0.03 . 1 . . . . . . . . 5314 1 346 . 1 1 40 40 PHE CA C 13 54.20 0.03 . 1 . . . . . . . . 5314 1 347 . 1 1 40 40 PHE CB C 13 38.20 0.03 . 1 . . . . . . . . 5314 1 348 . 1 1 40 40 PHE N N 15 120.99 0.03 . 1 . . . . . . . . 5314 1 349 . 1 1 41 41 LEU H H 1 9.22 0.03 . 1 . . . . . . . . 5314 1 350 . 1 1 41 41 LEU HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 351 . 1 1 41 41 LEU HB2 H 1 1.72 0.03 . 1 . . . . . . . . 5314 1 352 . 1 1 41 41 LEU HB3 H 1 2.21 0.03 . 1 . . . . . . . . 5314 1 353 . 1 1 41 41 LEU HG H 1 1.25 0.03 . 1 . . . . . . . . 5314 1 354 . 1 1 41 41 LEU HD11 H 1 0.32 0.03 . 1 . . . . . . . . 5314 1 355 . 1 1 41 41 LEU HD12 H 1 0.32 0.03 . 1 . . . . . . . . 5314 1 356 . 1 1 41 41 LEU HD13 H 1 0.32 0.03 . 1 . . . . . . . . 5314 1 357 . 1 1 41 41 LEU HD21 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 358 . 1 1 41 41 LEU HD22 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 359 . 1 1 41 41 LEU HD23 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 360 . 1 1 41 41 LEU CA C 13 53.38 0.03 . 1 . . . . . . . . 5314 1 361 . 1 1 41 41 LEU CB C 13 40.44 0.03 . 1 . . . . . . . . 5314 1 362 . 1 1 41 41 LEU N N 15 114.97 0.03 . 1 . . . . . . . . 5314 1 363 . 1 1 42 42 VAL H H 1 9.24 0.03 . 1 . . . . . . . . 5314 1 364 . 1 1 42 42 VAL HA H 1 5.48 0.03 . 1 . . . . . . . . 5314 1 365 . 1 1 42 42 VAL HB H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 366 . 1 1 42 42 VAL HG11 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 367 . 1 1 42 42 VAL HG12 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 368 . 1 1 42 42 VAL HG13 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 369 . 1 1 42 42 VAL HG21 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 370 . 1 1 42 42 VAL HG22 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 371 . 1 1 42 42 VAL HG23 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 372 . 1 1 42 42 VAL CA C 13 59.40 0.03 . 1 . . . . . . . . 5314 1 373 . 1 1 42 42 VAL CB C 13 32.23 0.03 . 1 . . . . . . . . 5314 1 374 . 1 1 42 42 VAL N N 15 120.78 0.03 . 1 . . . . . . . . 5314 1 375 . 1 1 43 43 ARG H H 1 9.26 0.03 . 1 . . . . . . . . 5314 1 376 . 1 1 43 43 ARG HA H 1 5.20 0.03 . 1 . . . . . . . . 5314 1 377 . 1 1 43 43 ARG HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 378 . 1 1 43 43 ARG HB3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 379 . 1 1 43 43 ARG HG2 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 380 . 1 1 43 43 ARG HG3 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 381 . 1 1 43 43 ARG HD2 H 1 3.22 0.03 . 1 . . . . . . . . 5314 1 382 . 1 1 43 43 ARG HD3 H 1 3.22 0.03 . 1 . . . . . . . . 5314 1 383 . 1 1 43 43 ARG CA C 13 51.20 0.03 . 1 . . . . . . . . 5314 1 384 . 1 1 43 43 ARG CB C 13 25.82 0.03 . 1 . . . . . . . . 5314 1 385 . 1 1 43 43 ARG N N 15 123.16 0.03 . 1 . . . . . . . . 5314 1 386 . 1 1 44 44 ASP H H 1 8.30 0.03 . 1 . . . . . . . . 5314 1 387 . 1 1 44 44 ASP HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 388 . 1 1 44 44 ASP HB2 H 1 2.85 0.03 . 1 . . . . . . . . 5314 1 389 . 1 1 44 44 ASP HB3 H 1 2.85 0.03 . 1 . . . . . . . . 5314 1 390 . 1 1 44 44 ASP CA C 13 52.02 0.03 . 1 . . . . . . . . 5314 1 391 . 1 1 44 44 ASP CB C 13 39.89 0.03 . 1 . . . . . . . . 5314 1 392 . 1 1 44 44 ASP N N 15 120.01 0.03 . 1 . . . . . . . . 5314 1 393 . 1 1 45 45 SER H H 1 8.23 0.03 . 1 . . . . . . . . 5314 1 394 . 1 1 45 45 SER HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 395 . 1 1 45 45 SER HB2 H 1 3.60 0.03 . 1 . . . . . . . . 5314 1 396 . 1 1 45 45 SER HB3 H 1 3.79 0.03 . 1 . . . . . . . . 5314 1 397 . 1 1 45 45 SER CA C 13 55.85 0.03 . 1 . . . . . . . . 5314 1 398 . 1 1 45 45 SER CB C 13 62.39 0.03 . 1 . . . . . . . . 5314 1 399 . 1 1 45 45 SER N N 15 113.31 0.03 . 1 . . . . . . . . 5314 1 400 . 1 1 46 46 GLN H H 1 8.84 0.03 . 1 . . . . . . . . 5314 1 401 . 1 1 46 46 GLN HA H 1 5.01 0.03 . 1 . . . . . . . . 5314 1 402 . 1 1 46 46 GLN HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 403 . 1 1 46 46 GLN HB3 H 1 2.20 0.03 . 1 . . . . . . . . 5314 1 404 . 1 1 46 46 GLN HG2 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 405 . 1 1 46 46 GLN HG3 H 1 3.03 0.03 . 1 . . . . . . . . 5314 1 406 . 1 1 46 46 GLN CA C 13 55.58 0.03 . 1 . . . . . . . . 5314 1 407 . 1 1 46 46 GLN CB C 13 27.51 0.03 . 1 . . . . . . . . 5314 1 408 . 1 1 46 46 GLN N N 15 122.95 0.03 . 1 . . . . . . . . 5314 1 409 . 1 1 47 47 SER H H 1 8.09 0.03 . 1 . . . . . . . . 5314 1 410 . 1 1 47 47 SER HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 411 . 1 1 47 47 SER HB2 H 1 3.51 0.03 . 1 . . . . . . . . 5314 1 412 . 1 1 47 47 SER HB3 H 1 3.79 0.03 . 1 . . . . . . . . 5314 1 413 . 1 1 47 47 SER CA C 13 57.49 0.03 . 1 . . . . . . . . 5314 1 414 . 1 1 47 47 SER CB C 13 62.39 0.03 . 1 . . . . . . . . 5314 1 415 . 1 1 47 47 SER N N 15 114.19 0.03 . 1 . . . . . . . . 5314 1 416 . 1 1 48 48 ASN H H 1 7.59 0.03 . 1 . . . . . . . . 5314 1 417 . 1 1 48 48 ASN HA H 1 5.20 0.03 . 1 . . . . . . . . 5314 1 418 . 1 1 48 48 ASN HB2 H 1 2.57 0.03 . 1 . . . . . . . . 5314 1 419 . 1 1 48 48 ASN HB3 H 1 2.83 0.03 . 1 . . . . . . . . 5314 1 420 . 1 1 48 48 ASN CA C 13 49.28 0.03 . 1 . . . . . . . . 5314 1 421 . 1 1 48 48 ASN CB C 13 38.37 0.03 . 1 . . . . . . . . 5314 1 422 . 1 1 48 48 ASN N N 15 119.73 0.03 . 1 . . . . . . . . 5314 1 423 . 1 1 49 49 PRO HA H 1 4.54 0.03 . 1 . . . . . . . . 5314 1 424 . 1 1 49 49 PRO HB2 H 1 1.92 0.03 . 1 . . . . . . . . 5314 1 425 . 1 1 49 49 PRO HB3 H 1 1.92 0.03 . 1 . . . . . . . . 5314 1 426 . 1 1 49 49 PRO HG2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 427 . 1 1 49 49 PRO HG3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 428 . 1 1 49 49 PRO HD2 H 1 3.70 0.03 . 1 . . . . . . . . 5314 1 429 . 1 1 49 49 PRO HD3 H 1 3.70 0.03 . 1 . . . . . . . . 5314 1 430 . 1 1 49 49 PRO CA C 13 62.69 0.03 . 1 . . . . . . . . 5314 1 431 . 1 1 49 49 PRO CB C 13 30.89 0.03 . 1 . . . . . . . . 5314 1 432 . 1 1 50 50 LYS H H 1 8.26 0.03 . 1 . . . . . . . . 5314 1 433 . 1 1 50 50 LYS HA H 1 4.16 0.03 . 1 . . . . . . . . 5314 1 434 . 1 1 50 50 LYS HB2 H 1 2.01 0.03 . 1 . . . . . . . . 5314 1 435 . 1 1 50 50 LYS HB3 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 436 . 1 1 50 50 LYS HG2 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 437 . 1 1 50 50 LYS HG3 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 438 . 1 1 50 50 LYS HD2 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 439 . 1 1 50 50 LYS HD3 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 440 . 1 1 50 50 LYS CA C 13 55.03 0.03 . 1 . . . . . . . . 5314 1 441 . 1 1 50 50 LYS CB C 13 30.32 0.03 . 1 . . . . . . . . 5314 1 442 . 1 1 50 50 LYS N N 15 116.15 0.03 . 1 . . . . . . . . 5314 1 443 . 1 1 51 51 THR H H 1 7.58 0.03 . 1 . . . . . . . . 5314 1 444 . 1 1 51 51 THR HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 445 . 1 1 51 51 THR HB H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 446 . 1 1 51 51 THR HG21 H 1 1.28 0.03 . 1 . . . . . . . . 5314 1 447 . 1 1 51 51 THR HG22 H 1 1.28 0.03 . 1 . . . . . . . . 5314 1 448 . 1 1 51 51 THR HG23 H 1 1.28 0.03 . 1 . . . . . . . . 5314 1 449 . 1 1 51 51 THR CA C 13 60.23 0.03 . 1 . . . . . . . . 5314 1 450 . 1 1 51 51 THR CB C 13 68.58 0.03 . 1 . . . . . . . . 5314 1 451 . 1 1 51 51 THR CG2 C 13 20.76 0.03 . 1 . . . . . . . . 5314 1 452 . 1 1 51 51 THR N N 15 112.99 0.03 . 1 . . . . . . . . 5314 1 453 . 1 1 52 52 PHE H H 1 8.59 0.03 . 1 . . . . . . . . 5314 1 454 . 1 1 52 52 PHE HA H 1 5.29 0.03 . 1 . . . . . . . . 5314 1 455 . 1 1 52 52 PHE HB2 H 1 2.85 0.03 . 1 . . . . . . . . 5314 1 456 . 1 1 52 52 PHE HB3 H 1 3.25 0.03 . 1 . . . . . . . . 5314 1 457 . 1 1 52 52 PHE CA C 13 54.48 0.03 . 1 . . . . . . . . 5314 1 458 . 1 1 52 52 PHE CB C 13 37.63 0.03 . 1 . . . . . . . . 5314 1 459 . 1 1 52 52 PHE N N 15 120.99 0.03 . 1 . . . . . . . . 5314 1 460 . 1 1 53 53 VAL H H 1 9.52 0.03 . 1 . . . . . . . . 5314 1 461 . 1 1 53 53 VAL HA H 1 4.82 0.03 . 1 . . . . . . . . 5314 1 462 . 1 1 53 53 VAL HB H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 463 . 1 1 53 53 VAL HG11 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 464 . 1 1 53 53 VAL HG12 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 465 . 1 1 53 53 VAL HG13 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 466 . 1 1 53 53 VAL HG21 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 467 . 1 1 53 53 VAL HG22 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 468 . 1 1 53 53 VAL HG23 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 469 . 1 1 53 53 VAL CA C 13 60.23 0.03 . 1 . . . . . . . . 5314 1 470 . 1 1 53 53 VAL CB C 13 30.32 0.03 . 1 . . . . . . . . 5314 1 471 . 1 1 53 53 VAL N N 15 119.73 0.03 . 1 . . . . . . . . 5314 1 472 . 1 1 54 54 LEU H H 1 9.41 0.03 . 1 . . . . . . . . 5314 1 473 . 1 1 54 54 LEU HA H 1 5.48 0.03 . 1 . . . . . . . . 5314 1 474 . 1 1 54 54 LEU HB2 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 475 . 1 1 54 54 LEU HB3 H 1 1.54 0.03 . 1 . . . . . . . . 5314 1 476 . 1 1 54 54 LEU HG H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 477 . 1 1 54 54 LEU HD11 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 478 . 1 1 54 54 LEU HD12 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 479 . 1 1 54 54 LEU HD13 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 480 . 1 1 54 54 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 481 . 1 1 54 54 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 482 . 1 1 54 54 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 483 . 1 1 54 54 LEU CA C 13 52.29 0.03 . 1 . . . . . . . . 5314 1 484 . 1 1 54 54 LEU CB C 13 42.70 0.03 . 1 . . . . . . . . 5314 1 485 . 1 1 54 54 LEU N N 15 129.97 0.03 . 1 . . . . . . . . 5314 1 486 . 1 1 55 55 SER H H 1 9.18 0.03 . 1 . . . . . . . . 5314 1 487 . 1 1 55 55 SER HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 488 . 1 1 55 55 SER HB2 H 1 3.51 0.03 . 1 . . . . . . . . 5314 1 489 . 1 1 55 55 SER HB3 H 1 3.51 0.03 . 1 . . . . . . . . 5314 1 490 . 1 1 55 55 SER CA C 13 56.40 0.03 . 1 . . . . . . . . 5314 1 491 . 1 1 55 55 SER CB C 13 62.39 0.03 . 1 . . . . . . . . 5314 1 492 . 1 1 55 55 SER N N 15 125.83 0.03 . 1 . . . . . . . . 5314 1 493 . 1 1 56 56 MET H H 1 9.22 0.03 . 1 . . . . . . . . 5314 1 494 . 1 1 56 56 MET HA H 1 6.04 0.03 . 1 . . . . . . . . 5314 1 495 . 1 1 56 56 MET HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 496 . 1 1 56 56 MET HB3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 497 . 1 1 56 56 MET HG2 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 498 . 1 1 56 56 MET HG3 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 499 . 1 1 56 56 MET CA C 13 52.57 0.03 . 1 . . . . . . . . 5314 1 500 . 1 1 56 56 MET CB C 13 28.41 0.03 . 1 . . . . . . . . 5314 1 501 . 1 1 56 56 MET N N 15 120.29 0.03 . 1 . . . . . . . . 5314 1 502 . 1 1 57 57 SER H H 1 8.76 0.03 . 1 . . . . . . . . 5314 1 503 . 1 1 57 57 SER HA H 1 5.38 0.03 . 1 . . . . . . . . 5314 1 504 . 1 1 57 57 SER HB2 H 1 3.51 0.03 . 1 . . . . . . . . 5314 1 505 . 1 1 57 57 SER HB3 H 1 3.60 0.03 . 1 . . . . . . . . 5314 1 506 . 1 1 57 57 SER CA C 13 54.21 0.03 . 1 . . . . . . . . 5314 1 507 . 1 1 57 57 SER CB C 13 63.51 0.03 . 1 . . . . . . . . 5314 1 508 . 1 1 57 57 SER N N 15 112.99 0.03 . 1 . . . . . . . . 5314 1 509 . 1 1 58 58 HIS H H 1 8.81 0.03 . 1 . . . . . . . . 5314 1 510 . 1 1 58 58 HIS HA H 1 4.63 0.03 . 1 . . . . . . . . 5314 1 511 . 1 1 58 58 HIS HB2 H 1 2.76 0.03 . 1 . . . . . . . . 5314 1 512 . 1 1 58 58 HIS HB3 H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 513 . 1 1 58 58 HIS CA C 13 56.67 0.03 . 1 . . . . . . . . 5314 1 514 . 1 1 58 58 HIS CB C 13 27.76 0.03 . 1 . . . . . . . . 5314 1 515 . 1 1 58 58 HIS N N 15 122.53 0.03 . 1 . . . . . . . . 5314 1 516 . 1 1 59 59 GLY H H 1 8.79 0.03 . 1 . . . . . . . . 5314 1 517 . 1 1 59 59 GLY HA2 H 1 3.32 0.03 . 1 . . . . . . . . 5314 1 518 . 1 1 59 59 GLY HA3 H 1 3.60 0.03 . 1 . . . . . . . . 5314 1 519 . 1 1 59 59 GLY CA C 13 45.73 0.03 . 1 . . . . . . . . 5314 1 520 . 1 1 59 59 GLY N N 15 119.73 0.03 . 1 . . . . . . . . 5314 1 521 . 1 1 60 60 GLN H H 1 9.27 0.03 . 1 . . . . . . . . 5314 1 522 . 1 1 60 60 GLN HA H 1 3.41 0.03 . 1 . . . . . . . . 5314 1 523 . 1 1 60 60 GLN HB2 H 1 2.20 0.03 . 1 . . . . . . . . 5314 1 524 . 1 1 60 60 GLN HB3 H 1 2.20 0.03 . 1 . . . . . . . . 5314 1 525 . 1 1 60 60 GLN HG2 H 1 2.29 0.03 . 1 . . . . . . . . 5314 1 526 . 1 1 60 60 GLN HG3 H 1 2.29 0.03 . 1 . . . . . . . . 5314 1 527 . 1 1 60 60 GLN CA C 13 55.85 0.03 . 1 . . . . . . . . 5314 1 528 . 1 1 60 60 GLN CB C 13 24.70 0.03 . 1 . . . . . . . . 5314 1 529 . 1 1 60 60 GLN N N 15 110.68 0.03 . 1 . . . . . . . . 5314 1 530 . 1 1 61 61 LYS H H 1 7.59 0.03 . 1 . . . . . . . . 5314 1 531 . 1 1 61 61 LYS HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 532 . 1 1 61 61 LYS HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 533 . 1 1 61 61 LYS HB3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 534 . 1 1 61 61 LYS HG2 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 535 . 1 1 61 61 LYS HG3 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 536 . 1 1 61 61 LYS HD2 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 537 . 1 1 61 61 LYS HD3 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 538 . 1 1 61 61 LYS CA C 13 52.02 0.03 . 1 . . . . . . . . 5314 1 539 . 1 1 61 61 LYS CB C 13 30.32 0.03 . 1 . . . . . . . . 5314 1 540 . 1 1 61 61 LYS N N 15 118.39 0.03 . 1 . . . . . . . . 5314 1 541 . 1 1 62 62 ILE H H 1 8.44 0.03 . 1 . . . . . . . . 5314 1 542 . 1 1 62 62 ILE HA H 1 4.54 0.03 . 1 . . . . . . . . 5314 1 543 . 1 1 62 62 ILE HB H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 544 . 1 1 62 62 ILE HG12 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 545 . 1 1 62 62 ILE HG13 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 546 . 1 1 62 62 ILE HG21 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 547 . 1 1 62 62 ILE HG22 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 548 . 1 1 62 62 ILE HG23 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 549 . 1 1 62 62 ILE HD11 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 550 . 1 1 62 62 ILE HD12 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 551 . 1 1 62 62 ILE HD13 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 552 . 1 1 62 62 ILE CA C 13 58.85 0.03 . 1 . . . . . . . . 5314 1 553 . 1 1 62 62 ILE CB C 13 35.95 0.03 . 1 . . . . . . . . 5314 1 554 . 1 1 62 62 ILE N N 15 121.34 0.03 . 1 . . . . . . . . 5314 1 555 . 1 1 63 63 LYS H H 1 9.20 0.03 . 1 . . . . . . . . 5314 1 556 . 1 1 63 63 LYS HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 557 . 1 1 63 63 LYS HB2 H 1 1.63 0.03 . 1 . . . . . . . . 5314 1 558 . 1 1 63 63 LYS HB3 H 1 1.63 0.03 . 1 . . . . . . . . 5314 1 559 . 1 1 63 63 LYS HG2 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 560 . 1 1 63 63 LYS HG3 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 561 . 1 1 63 63 LYS CA C 13 52.02 0.03 . 1 . . . . . . . . 5314 1 562 . 1 1 63 63 LYS CB C 13 30.32 0.03 . 1 . . . . . . . . 5314 1 563 . 1 1 63 63 LYS N N 15 128.07 0.03 . 1 . . . . . . . . 5314 1 564 . 1 1 64 64 HIS H H 1 8.81 0.03 . 1 . . . . . . . . 5314 1 565 . 1 1 64 64 HIS HA H 1 5.01 0.03 . 1 . . . . . . . . 5314 1 566 . 1 1 64 64 HIS HB2 H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 567 . 1 1 64 64 HIS HB3 H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 568 . 1 1 64 64 HIS CA C 13 52.29 0.03 . 1 . . . . . . . . 5314 1 569 . 1 1 64 64 HIS CB C 13 29.76 0.03 . 1 . . . . . . . . 5314 1 570 . 1 1 64 64 HIS N N 15 122.53 0.03 . 1 . . . . . . . . 5314 1 571 . 1 1 65 65 PHE H H 1 8.79 0.03 . 1 . . . . . . . . 5314 1 572 . 1 1 65 65 PHE HA H 1 5.01 0.03 . 1 . . . . . . . . 5314 1 573 . 1 1 65 65 PHE HB2 H 1 2.57 0.03 . 1 . . . . . . . . 5314 1 574 . 1 1 65 65 PHE HB3 H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 575 . 1 1 65 65 PHE CA C 13 53.93 0.03 . 1 . . . . . . . . 5314 1 576 . 1 1 65 65 PHE CB C 13 37.97 0.03 . 1 . . . . . . . . 5314 1 577 . 1 1 65 65 PHE N N 15 122.95 0.03 . 1 . . . . . . . . 5314 1 578 . 1 1 66 66 GLN H H 1 9.41 0.03 . 1 . . . . . . . . 5314 1 579 . 1 1 66 66 GLN HA H 1 5.38 0.03 . 1 . . . . . . . . 5314 1 580 . 1 1 66 66 GLN HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 581 . 1 1 66 66 GLN HB3 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 582 . 1 1 66 66 GLN HG2 H 1 2.29 0.03 . 1 . . . . . . . . 5314 1 583 . 1 1 66 66 GLN HG3 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 584 . 1 1 66 66 GLN CA C 13 53.66 0.03 . 1 . . . . . . . . 5314 1 585 . 1 1 66 66 GLN CB C 13 24.70 0.03 . 1 . . . . . . . . 5314 1 586 . 1 1 66 66 GLN N N 15 117.97 0.03 . 1 . . . . . . . . 5314 1 587 . 1 1 67 67 ILE H H 1 9.00 0.03 . 1 . . . . . . . . 5314 1 588 . 1 1 67 67 ILE HA H 1 6.04 0.03 . 1 . . . . . . . . 5314 1 589 . 1 1 67 67 ILE HB H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 590 . 1 1 67 67 ILE HG12 H 1 1.16 0.03 . 1 . . . . . . . . 5314 1 591 . 1 1 67 67 ILE HG13 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 592 . 1 1 67 67 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 593 . 1 1 67 67 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 594 . 1 1 67 67 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 595 . 1 1 67 67 ILE HD11 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 596 . 1 1 67 67 ILE HD12 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 597 . 1 1 67 67 ILE HD13 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 598 . 1 1 67 67 ILE CA C 13 59.13 0.03 . 1 . . . . . . . . 5314 1 599 . 1 1 67 67 ILE CB C 13 37.08 0.03 . 1 . . . . . . . . 5314 1 600 . 1 1 67 67 ILE N N 15 114.96 0.03 . 1 . . . . . . . . 5314 1 601 . 1 1 68 68 ILE H H 1 9.06 0.03 . 1 . . . . . . . . 5314 1 602 . 1 1 68 68 ILE HA H 1 5.38 0.03 . 1 . . . . . . . . 5314 1 603 . 1 1 68 68 ILE HB H 1 1.63 0.03 . 1 . . . . . . . . 5314 1 604 . 1 1 68 68 ILE HG12 H 1 1.26 0.03 . 1 . . . . . . . . 5314 1 605 . 1 1 68 68 ILE HG13 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 606 . 1 1 68 68 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 607 . 1 1 68 68 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 608 . 1 1 68 68 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 609 . 1 1 68 68 ILE HD11 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 610 . 1 1 68 68 ILE HD12 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 611 . 1 1 68 68 ILE HD13 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 612 . 1 1 68 68 ILE CA C 13 57.22 0.03 . 1 . . . . . . . . 5314 1 613 . 1 1 68 68 ILE CB C 13 37.72 0.03 . 1 . . . . . . . . 5314 1 614 . 1 1 68 68 ILE N N 15 125.20 0.03 . 1 . . . . . . . . 5314 1 615 . 1 1 69 69 PRO HA H 1 4.82 0.03 . 1 . . . . . . . . 5314 1 616 . 1 1 69 69 PRO HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 617 . 1 1 69 69 PRO HB3 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 618 . 1 1 69 69 PRO HG2 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 619 . 1 1 69 69 PRO HG3 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 620 . 1 1 69 69 PRO HD2 H 1 3.79 0.03 . 1 . . . . . . . . 5314 1 621 . 1 1 69 69 PRO HD3 H 1 3.79 0.03 . 1 . . . . . . . . 5314 1 622 . 1 1 69 69 PRO CA C 13 59.67 0.03 . 1 . . . . . . . . 5314 1 623 . 1 1 69 69 PRO CB C 13 30.32 0.03 . 1 . . . . . . . . 5314 1 624 . 1 1 70 70 VAL H H 1 8.81 0.03 . 1 . . . . . . . . 5314 1 625 . 1 1 70 70 VAL HA H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 626 . 1 1 70 70 VAL HB H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 627 . 1 1 70 70 VAL HG11 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 628 . 1 1 70 70 VAL HG12 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 629 . 1 1 70 70 VAL HG13 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 630 . 1 1 70 70 VAL HG21 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 631 . 1 1 70 70 VAL HG22 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 632 . 1 1 70 70 VAL HG23 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 633 . 1 1 70 70 VAL CA C 13 58.58 0.03 . 1 . . . . . . . . 5314 1 634 . 1 1 70 70 VAL CB C 13 30.89 0.03 . 1 . . . . . . . . 5314 1 635 . 1 1 70 70 VAL N N 15 120.99 0.03 . 1 . . . . . . . . 5314 1 636 . 1 1 71 71 GLU H H 1 8.48 0.03 . 1 . . . . . . . . 5314 1 637 . 1 1 71 71 GLU HA H 1 5.20 0.03 . 1 . . . . . . . . 5314 1 638 . 1 1 71 71 GLU HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 639 . 1 1 71 71 GLU HB3 H 1 1.91 0.03 . 1 . . . . . . . . 5314 1 640 . 1 1 71 71 GLU HG2 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 641 . 1 1 71 71 GLU HG3 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 642 . 1 1 71 71 GLU CA C 13 53.39 0.03 . 1 . . . . . . . . 5314 1 643 . 1 1 71 71 GLU CB C 13 29.76 0.03 . 1 . . . . . . . . 5314 1 644 . 1 1 71 71 GLU N N 15 126.94 0.03 . 1 . . . . . . . . 5314 1 645 . 1 1 72 72 ASP H H 1 8.88 0.03 . 1 . . . . . . . . 5314 1 646 . 1 1 72 72 ASP HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 647 . 1 1 72 72 ASP HB2 H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 648 . 1 1 72 72 ASP HB3 H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 649 . 1 1 72 72 ASP CA C 13 52.57 0.03 . 1 . . . . . . . . 5314 1 650 . 1 1 72 72 ASP CB C 13 41.58 0.03 . 1 . . . . . . . . 5314 1 651 . 1 1 72 72 ASP N N 15 124.44 0.03 . 1 . . . . . . . . 5314 1 652 . 1 1 73 73 ASP H H 1 9.06 0.03 . 1 . . . . . . . . 5314 1 653 . 1 1 73 73 ASP HA H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 654 . 1 1 73 73 ASP HB2 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 655 . 1 1 73 73 ASP HB3 H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 656 . 1 1 73 73 ASP CA C 13 53.39 0.03 . 1 . . . . . . . . 5314 1 657 . 1 1 73 73 ASP CB C 13 37.63 0.03 . 1 . . . . . . . . 5314 1 658 . 1 1 73 73 ASP N N 15 126.97 0.03 . 1 . . . . . . . . 5314 1 659 . 1 1 74 74 GLY H H 1 8.66 0.03 . 1 . . . . . . . . 5314 1 660 . 1 1 74 74 GLY HA2 H 1 3.60 0.03 . 1 . . . . . . . . 5314 1 661 . 1 1 74 74 GLY HA3 H 1 4.16 0.03 . 1 . . . . . . . . 5314 1 662 . 1 1 74 74 GLY CA C 13 43.27 0.03 . 1 . . . . . . . . 5314 1 663 . 1 1 74 74 GLY N N 15 105.00 0.03 . 1 . . . . . . . . 5314 1 664 . 1 1 75 75 GLU H H 1 7.74 0.03 . 1 . . . . . . . . 5314 1 665 . 1 1 75 75 GLU HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 666 . 1 1 75 75 GLU HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 667 . 1 1 75 75 GLU HB3 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 668 . 1 1 75 75 GLU HG2 H 1 2.48 0.03 . 1 . . . . . . . . 5314 1 669 . 1 1 75 75 GLU HG3 H 1 2.48 0.03 . 1 . . . . . . . . 5314 1 670 . 1 1 75 75 GLU CA C 13 52.84 0.03 . 1 . . . . . . . . 5314 1 671 . 1 1 75 75 GLU CB C 13 30.32 0.03 . 1 . . . . . . . . 5314 1 672 . 1 1 75 75 GLU N N 15 121.54 0.03 . 1 . . . . . . . . 5314 1 673 . 1 1 76 76 MET H H 1 8.16 0.03 . 1 . . . . . . . . 5314 1 674 . 1 1 76 76 MET HA H 1 5.48 0.03 . 1 . . . . . . . . 5314 1 675 . 1 1 76 76 MET HB2 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 676 . 1 1 76 76 MET HB3 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 677 . 1 1 76 76 MET HG2 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 678 . 1 1 76 76 MET HG3 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 679 . 1 1 76 76 MET CA C 13 52.57 0.03 . 1 . . . . . . . . 5314 1 680 . 1 1 76 76 MET CB C 13 32.58 0.03 . 1 . . . . . . . . 5314 1 681 . 1 1 76 76 MET N N 15 121.10 0.03 . 1 . . . . . . . . 5314 1 682 . 1 1 77 77 PHE H H 1 9.89 0.03 . 1 . . . . . . . . 5314 1 683 . 1 1 77 77 PHE HA H 1 4.82 0.03 . 1 . . . . . . . . 5314 1 684 . 1 1 77 77 PHE HB2 H 1 2.75 0.03 . 1 . . . . . . . . 5314 1 685 . 1 1 77 77 PHE HB3 H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 686 . 1 1 77 77 PHE CA C 13 55.30 0.03 . 1 . . . . . . . . 5314 1 687 . 1 1 77 77 PHE CB C 13 40.45 0.03 . 1 . . . . . . . . 5314 1 688 . 1 1 77 77 PHE N N 15 124.02 0.03 . 1 . . . . . . . . 5314 1 689 . 1 1 78 78 HIS H H 1 9.05 0.03 . 1 . . . . . . . . 5314 1 690 . 1 1 78 78 HIS HA H 1 4.54 0.03 . 1 . . . . . . . . 5314 1 691 . 1 1 78 78 HIS HB2 H 1 2.85 0.03 . 1 . . . . . . . . 5314 1 692 . 1 1 78 78 HIS HB3 H 1 3.13 0.03 . 1 . . . . . . . . 5314 1 693 . 1 1 78 78 HIS CA C 13 55.03 0.03 . 1 . . . . . . . . 5314 1 694 . 1 1 78 78 HIS CB C 13 25.82 0.03 . 1 . . . . . . . . 5314 1 695 . 1 1 78 78 HIS N N 15 124.27 0.03 . 1 . . . . . . . . 5314 1 696 . 1 1 79 79 THR H H 1 9.38 0.03 . 1 . . . . . . . . 5314 1 697 . 1 1 79 79 THR HA H 1 4.54 0.03 . 1 . . . . . . . . 5314 1 698 . 1 1 79 79 THR HB H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 699 . 1 1 79 79 THR HG21 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 700 . 1 1 79 79 THR HG22 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 701 . 1 1 79 79 THR HG23 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 702 . 1 1 79 79 THR CA C 13 59.13 0.03 . 1 . . . . . . . . 5314 1 703 . 1 1 79 79 THR CB C 13 69.70 0.03 . 1 . . . . . . . . 5314 1 704 . 1 1 79 79 THR CG2 C 13 20.76 0.03 . 1 . . . . . . . . 5314 1 705 . 1 1 79 79 THR N N 15 125.84 0.03 . 1 . . . . . . . . 5314 1 706 . 1 1 80 80 LEU H H 1 10.11 0.03 . 1 . . . . . . . . 5314 1 707 . 1 1 80 80 LEU HA H 1 5.66 0.03 . 1 . . . . . . . . 5314 1 708 . 1 1 80 80 LEU HB2 H 1 1.91 0.03 . 1 . . . . . . . . 5314 1 709 . 1 1 80 80 LEU HB3 H 1 1.54 0.03 . 1 . . . . . . . . 5314 1 710 . 1 1 80 80 LEU HG H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 711 . 1 1 80 80 LEU HD11 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 712 . 1 1 80 80 LEU HD12 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 713 . 1 1 80 80 LEU HD13 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 714 . 1 1 80 80 LEU HD21 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 715 . 1 1 80 80 LEU HD22 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 716 . 1 1 80 80 LEU HD23 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 717 . 1 1 80 80 LEU CA C 13 52.56 0.03 . 1 . . . . . . . . 5314 1 718 . 1 1 80 80 LEU CB C 13 42.13 0.03 . 1 . . . . . . . . 5314 1 719 . 1 1 80 80 LEU N N 15 125.31 0.03 . 1 . . . . . . . . 5314 1 720 . 1 1 81 81 ASP H H 1 8.78 0.03 . 1 . . . . . . . . 5314 1 721 . 1 1 81 81 ASP HA H 1 5.01 0.03 . 1 . . . . . . . . 5314 1 722 . 1 1 81 81 ASP HB2 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 723 . 1 1 81 81 ASP HB3 H 1 3.15 0.03 . 1 . . . . . . . . 5314 1 724 . 1 1 81 81 ASP CA C 13 50.11 0.03 . 1 . . . . . . . . 5314 1 725 . 1 1 81 81 ASP CB C 13 43.26 0.03 . 1 . . . . . . . . 5314 1 726 . 1 1 81 81 ASP N N 15 123.33 0.03 . 1 . . . . . . . . 5314 1 727 . 1 1 82 82 ASP H H 1 9.31 0.03 . 1 . . . . . . . . 5314 1 728 . 1 1 82 82 ASP HA H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 729 . 1 1 82 82 ASP HB2 H 1 2.66 0.03 . 1 . . . . . . . . 5314 1 730 . 1 1 82 82 ASP HB3 H 1 2.95 0.03 . 1 . . . . . . . . 5314 1 731 . 1 1 82 82 ASP CA C 13 53.93 0.03 . 1 . . . . . . . . 5314 1 732 . 1 1 82 82 ASP CB C 13 37.63 0.03 . 1 . . . . . . . . 5314 1 733 . 1 1 82 82 ASP N N 15 117.25 0.03 . 1 . . . . . . . . 5314 1 734 . 1 1 83 83 GLY H H 1 8.37 0.03 . 1 . . . . . . . . 5314 1 735 . 1 1 83 83 GLY HA2 H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 736 . 1 1 83 83 GLY HA3 H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 737 . 1 1 83 83 GLY CA C 13 43.27 0.03 . 1 . . . . . . . . 5314 1 738 . 1 1 83 83 GLY N N 15 103.94 0.03 . 1 . . . . . . . . 5314 1 739 . 1 1 84 84 HIS H H 1 7.49 0.03 . 1 . . . . . . . . 5314 1 740 . 1 1 84 84 HIS HA H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 741 . 1 1 84 84 HIS HB2 H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 742 . 1 1 84 84 HIS HB3 H 1 3.13 0.03 . 1 . . . . . . . . 5314 1 743 . 1 1 84 84 HIS CA C 13 57.49 0.03 . 1 . . . . . . . . 5314 1 744 . 1 1 84 84 HIS CB C 13 25.83 0.03 . 1 . . . . . . . . 5314 1 745 . 1 1 84 84 HIS N N 15 122.84 0.03 . 1 . . . . . . . . 5314 1 746 . 1 1 85 85 THR H H 1 10.58 0.03 . 1 . . . . . . . . 5314 1 747 . 1 1 85 85 THR HA H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 748 . 1 1 85 85 THR HB H 1 3.98 0.03 . 1 . . . . . . . . 5314 1 749 . 1 1 85 85 THR HG21 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 750 . 1 1 85 85 THR HG22 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 751 . 1 1 85 85 THR HG23 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 752 . 1 1 85 85 THR CA C 13 60.78 0.03 . 1 . . . . . . . . 5314 1 753 . 1 1 85 85 THR CB C 13 68.01 0.03 . 1 . . . . . . . . 5314 1 754 . 1 1 85 85 THR CG2 C 13 20.76 0.03 . 1 . . . . . . . . 5314 1 755 . 1 1 85 85 THR N N 15 121.74 0.03 . 1 . . . . . . . . 5314 1 756 . 1 1 86 86 ARG H H 1 8.35 0.03 . 1 . . . . . . . . 5314 1 757 . 1 1 86 86 ARG HA H 1 5.01 0.03 . 1 . . . . . . . . 5314 1 758 . 1 1 86 86 ARG HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 759 . 1 1 86 86 ARG HB3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 760 . 1 1 86 86 ARG HG2 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 761 . 1 1 86 86 ARG HG3 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 762 . 1 1 86 86 ARG HD2 H 1 3.22 0.03 . 1 . . . . . . . . 5314 1 763 . 1 1 86 86 ARG HD3 H 1 3.22 0.03 . 1 . . . . . . . . 5314 1 764 . 1 1 86 86 ARG CA C 13 54.21 0.03 . 1 . . . . . . . . 5314 1 765 . 1 1 86 86 ARG CB C 13 25.82 0.03 . 1 . . . . . . . . 5314 1 766 . 1 1 86 86 ARG N N 15 119.56 0.03 . 1 . . . . . . . . 5314 1 767 . 1 1 87 87 PHE H H 1 8.82 0.03 . 1 . . . . . . . . 5314 1 768 . 1 1 87 87 PHE HA H 1 5.29 0.03 . 1 . . . . . . . . 5314 1 769 . 1 1 87 87 PHE HB2 H 1 2.48 0.03 . 1 . . . . . . . . 5314 1 770 . 1 1 87 87 PHE HB3 H 1 2.76 0.03 . 1 . . . . . . . . 5314 1 771 . 1 1 87 87 PHE CA C 13 55.58 0.03 . 1 . . . . . . . . 5314 1 772 . 1 1 87 87 PHE CB C 13 36.51 0.03 . 1 . . . . . . . . 5314 1 773 . 1 1 87 87 PHE N N 15 123.36 0.03 . 1 . . . . . . . . 5314 1 774 . 1 1 88 88 THR H H 1 9.56 0.03 . 1 . . . . . . . . 5314 1 775 . 1 1 88 88 THR HA H 1 4.35 0.03 . 1 . . . . . . . . 5314 1 776 . 1 1 88 88 THR HB H 1 3.51 0.03 . 1 . . . . . . . . 5314 1 777 . 1 1 88 88 THR HG21 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 778 . 1 1 88 88 THR HG22 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 779 . 1 1 88 88 THR HG23 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 780 . 1 1 88 88 THR CA C 13 63.51 0.03 . 1 . . . . . . . . 5314 1 781 . 1 1 88 88 THR CB C 13 69.70 0.03 . 1 . . . . . . . . 5314 1 782 . 1 1 88 88 THR CG2 C 13 20.76 0.03 . 1 . . . . . . . . 5314 1 783 . 1 1 88 88 THR N N 15 117.40 0.03 . 1 . . . . . . . . 5314 1 784 . 1 1 89 89 ASP H H 1 7.60 0.03 . 1 . . . . . . . . 5314 1 785 . 1 1 89 89 ASP HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 786 . 1 1 89 89 ASP HB2 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 787 . 1 1 89 89 ASP HB3 H 1 2.85 0.03 . 1 . . . . . . . . 5314 1 788 . 1 1 89 89 ASP CA C 13 51.72 0.03 . 1 . . . . . . . . 5314 1 789 . 1 1 89 89 ASP CB C 13 37.63 0.03 . 1 . . . . . . . . 5314 1 790 . 1 1 89 89 ASP N N 15 113.79 0.03 . 1 . . . . . . . . 5314 1 791 . 1 1 90 90 LEU H H 1 8.10 0.03 . 1 . . . . . . . . 5314 1 792 . 1 1 90 90 LEU HA H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 793 . 1 1 90 90 LEU HB2 H 1 1.91 0.03 . 1 . . . . . . . . 5314 1 794 . 1 1 90 90 LEU HB3 H 1 1.91 0.03 . 1 . . . . . . . . 5314 1 795 . 1 1 90 90 LEU HG H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 796 . 1 1 90 90 LEU HD11 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 797 . 1 1 90 90 LEU HD12 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 798 . 1 1 90 90 LEU HD13 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 799 . 1 1 90 90 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 800 . 1 1 90 90 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 801 . 1 1 90 90 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 802 . 1 1 90 90 LEU CA C 13 51.48 0.03 . 1 . . . . . . . . 5314 1 803 . 1 1 90 90 LEU CB C 13 42.13 0.03 . 1 . . . . . . . . 5314 1 804 . 1 1 90 90 LEU N N 15 120.95 0.03 . 1 . . . . . . . . 5314 1 805 . 1 1 91 91 ILE H H 1 8.02 0.03 . 1 . . . . . . . . 5314 1 806 . 1 1 91 91 ILE HA H 1 3.79 0.03 . 1 . . . . . . . . 5314 1 807 . 1 1 91 91 ILE HB H 1 2.20 0.03 . 1 . . . . . . . . 5314 1 808 . 1 1 91 91 ILE HG12 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 809 . 1 1 91 91 ILE HG13 H 1 1.63 0.03 . 1 . . . . . . . . 5314 1 810 . 1 1 91 91 ILE HG21 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 811 . 1 1 91 91 ILE HG22 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 812 . 1 1 91 91 ILE HG23 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 813 . 1 1 91 91 ILE HD11 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 814 . 1 1 91 91 ILE HD12 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 815 . 1 1 91 91 ILE HD13 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 816 . 1 1 91 91 ILE CA C 13 60.48 0.03 . 1 . . . . . . . . 5314 1 817 . 1 1 91 91 ILE CB C 13 37.72 0.03 . 1 . . . . . . . . 5314 1 818 . 1 1 91 91 ILE N N 15 113.03 0.03 . 1 . . . . . . . . 5314 1 819 . 1 1 92 92 GLN H H 1 8.23 0.03 . 1 . . . . . . . . 5314 1 820 . 1 1 92 92 GLN HA H 1 3.41 0.03 . 1 . . . . . . . . 5314 1 821 . 1 1 92 92 GLN HB2 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 822 . 1 1 92 92 GLN HB3 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 823 . 1 1 92 92 GLN HG2 H 1 2.48 0.03 . 1 . . . . . . . . 5314 1 824 . 1 1 92 92 GLN HG3 H 1 2.48 0.03 . 1 . . . . . . . . 5314 1 825 . 1 1 92 92 GLN CA C 13 56.10 0.03 . 1 . . . . . . . . 5314 1 826 . 1 1 92 92 GLN CB C 13 24.70 0.03 . 1 . . . . . . . . 5314 1 827 . 1 1 92 92 GLN N N 15 119.56 0.03 . 1 . . . . . . . . 5314 1 828 . 1 1 93 93 LEU H H 1 7.46 0.03 . 1 . . . . . . . . 5314 1 829 . 1 1 93 93 LEU HA H 1 3.04 0.03 . 1 . . . . . . . . 5314 1 830 . 1 1 93 93 LEU HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 831 . 1 1 93 93 LEU HB3 H 1 1.54 0.03 . 1 . . . . . . . . 5314 1 832 . 1 1 93 93 LEU HG H 1 1.16 0.03 . 1 . . . . . . . . 5314 1 833 . 1 1 93 93 LEU HD11 H 1 0.32 0.03 . 1 . . . . . . . . 5314 1 834 . 1 1 93 93 LEU HD12 H 1 0.32 0.03 . 1 . . . . . . . . 5314 1 835 . 1 1 93 93 LEU HD13 H 1 0.32 0.03 . 1 . . . . . . . . 5314 1 836 . 1 1 93 93 LEU HD21 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 837 . 1 1 93 93 LEU HD22 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 838 . 1 1 93 93 LEU HD23 H 1 0.70 0.03 . 1 . . . . . . . . 5314 1 839 . 1 1 93 93 LEU CA C 13 51.20 0.03 . 1 . . . . . . . . 5314 1 840 . 1 1 93 93 LEU CB C 13 42.13 0.03 . 1 . . . . . . . . 5314 1 841 . 1 1 93 93 LEU N N 15 120.95 0.03 . 1 . . . . . . . . 5314 1 842 . 1 1 94 94 VAL H H 1 7.73 0.03 . 1 . . . . . . . . 5314 1 843 . 1 1 94 94 VAL HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 844 . 1 1 94 94 VAL HB H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 845 . 1 1 94 94 VAL HG11 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 846 . 1 1 94 94 VAL HG12 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 847 . 1 1 94 94 VAL HG13 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 848 . 1 1 94 94 VAL HG21 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 849 . 1 1 94 94 VAL HG22 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 850 . 1 1 94 94 VAL HG23 H 1 0.98 0.03 . 1 . . . . . . . . 5314 1 851 . 1 1 94 94 VAL CA C 13 61.92 0.03 . 1 . . . . . . . . 5314 1 852 . 1 1 94 94 VAL CB C 13 30.89 0.03 . 1 . . . . . . . . 5314 1 853 . 1 1 94 94 VAL N N 15 125.06 0.03 . 1 . . . . . . . . 5314 1 854 . 1 1 95 95 GLU H H 1 7.74 0.03 . 1 . . . . . . . . 5314 1 855 . 1 1 95 95 GLU HA H 1 3.79 0.03 . 1 . . . . . . . . 5314 1 856 . 1 1 95 95 GLU HB2 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 857 . 1 1 95 95 GLU HB3 H 1 2.20 0.03 . 1 . . . . . . . . 5314 1 858 . 1 1 95 95 GLU HG2 H 1 2.29 0.03 . 1 . . . . . . . . 5314 1 859 . 1 1 95 95 GLU HG3 H 1 2.29 0.03 . 1 . . . . . . . . 5314 1 860 . 1 1 95 95 GLU CA C 13 55.58 0.03 . 1 . . . . . . . . 5314 1 861 . 1 1 95 95 GLU CB C 13 30.32 0.03 . 1 . . . . . . . . 5314 1 862 . 1 1 95 95 GLU N N 15 118.94 0.03 . 1 . . . . . . . . 5314 1 863 . 1 1 96 96 PHE H H 1 7.19 0.03 . 1 . . . . . . . . 5314 1 864 . 1 1 96 96 PHE HA H 1 4.16 0.03 . 1 . . . . . . . . 5314 1 865 . 1 1 96 96 PHE HB2 H 1 3.13 0.03 . 1 . . . . . . . . 5314 1 866 . 1 1 96 96 PHE HB3 H 1 3.13 0.03 . 1 . . . . . . . . 5314 1 867 . 1 1 96 96 PHE CA C 13 55.85 0.03 . 1 . . . . . . . . 5314 1 868 . 1 1 96 96 PHE CB C 13 36.51 0.03 . 1 . . . . . . . . 5314 1 869 . 1 1 96 96 PHE N N 15 117.82 0.03 . 1 . . . . . . . . 5314 1 870 . 1 1 97 97 TYR H H 1 7.71 0.03 . 1 . . . . . . . . 5314 1 871 . 1 1 97 97 TYR HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 872 . 1 1 97 97 TYR HB2 H 1 2.85 0.03 . 1 . . . . . . . . 5314 1 873 . 1 1 97 97 TYR HB3 H 1 3.32 0.03 . 1 . . . . . . . . 5314 1 874 . 1 1 97 97 TYR CA C 13 56.39 0.03 . 1 . . . . . . . . 5314 1 875 . 1 1 97 97 TYR CB C 13 36.51 0.03 . 1 . . . . . . . . 5314 1 876 . 1 1 97 97 TYR N N 15 114.51 0.03 . 1 . . . . . . . . 5314 1 877 . 1 1 98 98 GLN H H 1 8.38 0.03 . 1 . . . . . . . . 5314 1 878 . 1 1 98 98 GLN HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 879 . 1 1 98 98 GLN HB2 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 880 . 1 1 98 98 GLN HB3 H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 881 . 1 1 98 98 GLN HG2 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 882 . 1 1 98 98 GLN HG3 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 883 . 1 1 98 98 GLN CA C 13 55.03 0.03 . 1 . . . . . . . . 5314 1 884 . 1 1 98 98 GLN CB C 13 24.70 0.03 . 1 . . . . . . . . 5314 1 885 . 1 1 98 98 GLN N N 15 119.56 0.03 . 1 . . . . . . . . 5314 1 886 . 1 1 99 99 LEU H H 1 8.13 0.03 . 1 . . . . . . . . 5314 1 887 . 1 1 99 99 LEU HA H 1 4.16 0.03 . 1 . . . . . . . . 5314 1 888 . 1 1 99 99 LEU HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 889 . 1 1 99 99 LEU HB3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 890 . 1 1 99 99 LEU HG H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 891 . 1 1 99 99 LEU HD11 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 892 . 1 1 99 99 LEU HD12 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 893 . 1 1 99 99 LEU HD13 H 1 0.41 0.03 . 1 . . . . . . . . 5314 1 894 . 1 1 99 99 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 895 . 1 1 99 99 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 896 . 1 1 99 99 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 897 . 1 1 99 99 LEU CA C 13 52.84 0.03 . 1 . . . . . . . . 5314 1 898 . 1 1 99 99 LEU CB C 13 42.13 0.03 . 1 . . . . . . . . 5314 1 899 . 1 1 99 99 LEU N N 15 120.44 0.03 . 1 . . . . . . . . 5314 1 900 . 1 1 100 100 ASN H H 1 8.46 0.03 . 1 . . . . . . . . 5314 1 901 . 1 1 100 100 ASN HA H 1 4.54 0.03 . 1 . . . . . . . . 5314 1 902 . 1 1 100 100 ASN HB2 H 1 2.76 0.03 . 1 . . . . . . . . 5314 1 903 . 1 1 100 100 ASN HB3 H 1 2.76 0.03 . 1 . . . . . . . . 5314 1 904 . 1 1 100 100 ASN CA C 13 52.58 0.03 . 1 . . . . . . . . 5314 1 905 . 1 1 100 100 ASN CB C 13 38.37 0.03 . 1 . . . . . . . . 5314 1 906 . 1 1 100 100 ASN N N 15 120.43 0.03 . 1 . . . . . . . . 5314 1 907 . 1 1 101 101 LYS H H 1 8.42 0.03 . 1 . . . . . . . . 5314 1 908 . 1 1 101 101 LYS HA H 1 4.26 0.03 . 1 . . . . . . . . 5314 1 909 . 1 1 101 101 LYS HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 910 . 1 1 101 101 LYS HB3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 911 . 1 1 101 101 LYS HG2 H 1 1.26 0.03 . 1 . . . . . . . . 5314 1 912 . 1 1 101 101 LYS HG3 H 1 1.26 0.03 . 1 . . . . . . . . 5314 1 913 . 1 1 101 101 LYS CA C 13 57.29 0.03 . 1 . . . . . . . . 5314 1 914 . 1 1 101 101 LYS CB C 13 30.32 0.03 . 1 . . . . . . . . 5314 1 915 . 1 1 101 101 LYS N N 15 121.23 0.03 . 1 . . . . . . . . 5314 1 916 . 1 1 102 102 GLY H H 1 8.33 0.03 . 1 . . . . . . . . 5314 1 917 . 1 1 102 102 GLY HA2 H 1 3.70 0.03 . 1 . . . . . . . . 5314 1 918 . 1 1 102 102 GLY HA3 H 1 3.98 0.03 . 1 . . . . . . . . 5314 1 919 . 1 1 102 102 GLY CA C 13 45.73 0.03 . 1 . . . . . . . . 5314 1 920 . 1 1 102 102 GLY N N 15 103.80 0.03 . 1 . . . . . . . . 5314 1 921 . 1 1 103 103 VAL H H 1 7.46 0.03 . 1 . . . . . . . . 5314 1 922 . 1 1 103 103 VAL HA H 1 4.16 0.03 . 1 . . . . . . . . 5314 1 923 . 1 1 103 103 VAL HB H 1 2.10 0.03 . 1 . . . . . . . . 5314 1 924 . 1 1 103 103 VAL HG11 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 925 . 1 1 103 103 VAL HG12 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 926 . 1 1 103 103 VAL HG13 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 927 . 1 1 103 103 VAL HG21 H 1 1.07 0.03 . 1 . . . . . . . . 5314 1 928 . 1 1 103 103 VAL HG22 H 1 1.07 0.03 . 1 . . . . . . . . 5314 1 929 . 1 1 103 103 VAL HG23 H 1 1.07 0.03 . 1 . . . . . . . . 5314 1 930 . 1 1 103 103 VAL CA C 13 60.23 0.03 . 1 . . . . . . . . 5314 1 931 . 1 1 103 103 VAL CB C 13 29.77 0.03 . 1 . . . . . . . . 5314 1 932 . 1 1 103 103 VAL N N 15 118.92 0.03 . 1 . . . . . . . . 5314 1 933 . 1 1 104 104 LEU H H 1 8.23 0.03 . 1 . . . . . . . . 5314 1 934 . 1 1 104 104 LEU HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 935 . 1 1 104 104 LEU HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 936 . 1 1 104 104 LEU HB3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 937 . 1 1 104 104 LEU HG H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 938 . 1 1 104 104 LEU HD11 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 939 . 1 1 104 104 LEU HD12 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 940 . 1 1 104 104 LEU HD13 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 941 . 1 1 104 104 LEU HD21 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 942 . 1 1 104 104 LEU HD22 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 943 . 1 1 104 104 LEU HD23 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 944 . 1 1 104 104 LEU CA C 13 54.21 0.03 . 1 . . . . . . . . 5314 1 945 . 1 1 104 104 LEU CB C 13 42.13 0.03 . 1 . . . . . . . . 5314 1 946 . 1 1 104 104 LEU N N 15 121.74 0.03 . 1 . . . . . . . . 5314 1 947 . 1 1 105 105 PRO HA H 1 4.82 0.03 . 1 . . . . . . . . 5314 1 948 . 1 1 105 105 PRO HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 949 . 1 1 105 105 PRO HB3 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 950 . 1 1 105 105 PRO HG2 H 1 1.91 0.03 . 1 . . . . . . . . 5314 1 951 . 1 1 105 105 PRO HG3 H 1 1.91 0.03 . 1 . . . . . . . . 5314 1 952 . 1 1 105 105 PRO HD2 H 1 3.70 0.03 . 1 . . . . . . . . 5314 1 953 . 1 1 105 105 PRO HD3 H 1 3.70 0.03 . 1 . . . . . . . . 5314 1 954 . 1 1 105 105 PRO CA C 13 61.86 0.03 . 1 . . . . . . . . 5314 1 955 . 1 1 105 105 PRO CB C 13 28.36 0.03 . 1 . . . . . . . . 5314 1 956 . 1 1 106 106 CYS H H 1 7.10 0.03 . 1 . . . . . . . . 5314 1 957 . 1 1 106 106 CYS HA H 1 4.16 0.03 . 1 . . . . . . . . 5314 1 958 . 1 1 106 106 CYS HB2 H 1 2.66 0.03 . 1 . . . . . . . . 5314 1 959 . 1 1 106 106 CYS HB3 H 1 2.76 0.03 . 1 . . . . . . . . 5314 1 960 . 1 1 106 106 CYS CA C 13 53.10 0.03 . 1 . . . . . . . . 5314 1 961 . 1 1 106 106 CYS CB C 13 28.11 0.03 . 1 . . . . . . . . 5314 1 962 . 1 1 106 106 CYS N N 15 110.11 0.03 . 1 . . . . . . . . 5314 1 963 . 1 1 107 107 LYS H H 1 7.78 0.03 . 1 . . . . . . . . 5314 1 964 . 1 1 107 107 LYS HA H 1 3.98 0.03 . 1 . . . . . . . . 5314 1 965 . 1 1 107 107 LYS HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 966 . 1 1 107 107 LYS HB3 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 967 . 1 1 107 107 LYS HG2 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 968 . 1 1 107 107 LYS HG3 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 969 . 1 1 107 107 LYS CA C 13 55.03 0.03 . 1 . . . . . . . . 5314 1 970 . 1 1 107 107 LYS CB C 13 28.08 0.03 . 1 . . . . . . . . 5314 1 971 . 1 1 107 107 LYS N N 15 122.36 0.03 . 1 . . . . . . . . 5314 1 972 . 1 1 108 108 LEU H H 1 8.29 0.03 . 1 . . . . . . . . 5314 1 973 . 1 1 108 108 LEU HA H 1 4.25 0.03 . 1 . . . . . . . . 5314 1 974 . 1 1 108 108 LEU HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 975 . 1 1 108 108 LEU HB3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 976 . 1 1 108 108 LEU HG H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 977 . 1 1 108 108 LEU HD11 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 978 . 1 1 108 108 LEU HD12 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 979 . 1 1 108 108 LEU HD13 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 980 . 1 1 108 108 LEU HD21 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 981 . 1 1 108 108 LEU HD22 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 982 . 1 1 108 108 LEU HD23 H 1 0.79 0.03 . 1 . . . . . . . . 5314 1 983 . 1 1 108 108 LEU CA C 13 53.66 0.03 . 1 . . . . . . . . 5314 1 984 . 1 1 108 108 LEU CB C 13 39.89 0.03 . 1 . . . . . . . . 5314 1 985 . 1 1 108 108 LEU N N 15 118.36 0.03 . 1 . . . . . . . . 5314 1 986 . 1 1 109 109 LYS H H 1 8.37 0.03 . 1 . . . . . . . . 5314 1 987 . 1 1 109 109 LYS HA H 1 3.60 0.03 . 1 . . . . . . . . 5314 1 988 . 1 1 109 109 LYS HB2 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 989 . 1 1 109 109 LYS HB3 H 1 1.73 0.03 . 1 . . . . . . . . 5314 1 990 . 1 1 109 109 LYS HG2 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 991 . 1 1 109 109 LYS HG3 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 992 . 1 1 109 109 LYS CA C 13 56.10 0.03 . 1 . . . . . . . . 5314 1 993 . 1 1 109 109 LYS CB C 13 27.52 0.03 . 1 . . . . . . . . 5314 1 994 . 1 1 109 109 LYS N N 15 118.96 0.03 . 1 . . . . . . . . 5314 1 995 . 1 1 110 110 HIS H H 1 8.51 0.03 . 1 . . . . . . . . 5314 1 996 . 1 1 110 110 HIS HA H 1 5.57 0.03 . 1 . . . . . . . . 5314 1 997 . 1 1 110 110 HIS HB2 H 1 2.73 0.03 . 1 . . . . . . . . 5314 1 998 . 1 1 110 110 HIS HB3 H 1 3.03 0.03 . 1 . . . . . . . . 5314 1 999 . 1 1 110 110 HIS CA C 13 51.20 0.03 . 1 . . . . . . . . 5314 1 1000 . 1 1 110 110 HIS CB C 13 28.08 0.03 . 1 . . . . . . . . 5314 1 1001 . 1 1 110 110 HIS N N 15 126.42 0.03 . 1 . . . . . . . . 5314 1 1002 . 1 1 111 111 TYR H H 1 7.45 0.03 . 1 . . . . . . . . 5314 1 1003 . 1 1 111 111 TYR HA H 1 5.29 0.03 . 1 . . . . . . . . 5314 1 1004 . 1 1 111 111 TYR HB2 H 1 2.38 0.03 . 1 . . . . . . . . 5314 1 1005 . 1 1 111 111 TYR HB3 H 1 2.76 0.03 . 1 . . . . . . . . 5314 1 1006 . 1 1 111 111 TYR CA C 13 56.10 0.03 . 1 . . . . . . . . 5314 1 1007 . 1 1 111 111 TYR CB C 13 37.63 0.03 . 1 . . . . . . . . 5314 1 1008 . 1 1 111 111 TYR N N 15 123.66 0.03 . 1 . . . . . . . . 5314 1 1009 . 1 1 112 112 CYS H H 1 8.18 0.03 . 1 . . . . . . . . 5314 1 1010 . 1 1 112 112 CYS HA H 1 4.73 0.03 . 1 . . . . . . . . 5314 1 1011 . 1 1 112 112 CYS HB2 H 1 2.66 0.03 . 1 . . . . . . . . 5314 1 1012 . 1 1 112 112 CYS HB3 H 1 2.76 0.03 . 1 . . . . . . . . 5314 1 1013 . 1 1 112 112 CYS CA C 13 56.75 0.03 . 1 . . . . . . . . 5314 1 1014 . 1 1 112 112 CYS CB C 13 30.88 0.03 . 1 . . . . . . . . 5314 1 1015 . 1 1 112 112 CYS N N 15 119.59 0.03 . 1 . . . . . . . . 5314 1 1016 . 1 1 113 113 ALA H H 1 8.71 0.03 . 1 . . . . . . . . 5314 1 1017 . 1 1 113 113 ALA HA H 1 4.45 0.03 . 1 . . . . . . . . 5314 1 1018 . 1 1 113 113 ALA HB1 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 1019 . 1 1 113 113 ALA HB2 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 1020 . 1 1 113 113 ALA HB3 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 1021 . 1 1 113 113 ALA CA C 13 50.93 0.03 . 1 . . . . . . . . 5314 1 1022 . 1 1 113 113 ALA CB C 13 18.01 0.03 . 1 . . . . . . . . 5314 1 1023 . 1 1 113 113 ALA N N 15 131.01 0.03 . 1 . . . . . . . . 5314 1 1024 . 1 1 114 114 ARG H H 1 8.50 0.03 . 1 . . . . . . . . 5314 1 1025 . 1 1 114 114 ARG HA H 1 4.07 0.03 . 1 . . . . . . . . 5314 1 1026 . 1 1 114 114 ARG HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 1027 . 1 1 114 114 ARG HB3 H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 1028 . 1 1 114 114 ARG HG2 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 1029 . 1 1 114 114 ARG HG3 H 1 1.45 0.03 . 1 . . . . . . . . 5314 1 1030 . 1 1 114 114 ARG HD2 H 1 3.03 0.03 . 1 . . . . . . . . 5314 1 1031 . 1 1 114 114 ARG HD3 H 1 3.03 0.03 . 1 . . . . . . . . 5314 1 1032 . 1 1 114 114 ARG CA C 13 54.75 0.03 . 1 . . . . . . . . 5314 1 1033 . 1 1 114 114 ARG CB C 13 25.27 0.03 . 1 . . . . . . . . 5314 1 1034 . 1 1 114 114 ARG N N 15 121.64 0.03 . 1 . . . . . . . . 5314 1 1035 . 1 1 115 115 ILE H H 1 8.27 0.03 . 1 . . . . . . . . 5314 1 1036 . 1 1 115 115 ILE HA H 1 4.07 0.03 . 1 . . . . . . . . 5314 1 1037 . 1 1 115 115 ILE HB H 1 1.82 0.03 . 1 . . . . . . . . 5314 1 1038 . 1 1 115 115 ILE HG12 H 1 1.26 0.03 . 1 . . . . . . . . 5314 1 1039 . 1 1 115 115 ILE HG13 H 1 1.26 0.03 . 1 . . . . . . . . 5314 1 1040 . 1 1 115 115 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1041 . 1 1 115 115 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1042 . 1 1 115 115 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1043 . 1 1 115 115 ILE HD11 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1044 . 1 1 115 115 ILE HD12 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1045 . 1 1 115 115 ILE HD13 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1046 . 1 1 115 115 ILE CA C 13 59.40 0.03 . 1 . . . . . . . . 5314 1 1047 . 1 1 115 115 ILE CB C 13 37.60 0.03 . 1 . . . . . . . . 5314 1 1048 . 1 1 115 115 ILE N N 15 124.03 0.03 . 1 . . . . . . . . 5314 1 1049 . 1 1 116 116 ALA H H 1 8.27 0.03 . 1 . . . . . . . . 5314 1 1050 . 1 1 116 116 ALA HA H 1 4.35 0.03 . 1 . . . . . . . . 5314 1 1051 . 1 1 116 116 ALA HB1 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 1052 . 1 1 116 116 ALA HB2 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 1053 . 1 1 116 116 ALA HB3 H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 1054 . 1 1 116 116 ALA CA C 13 50.39 0.03 . 1 . . . . . . . . 5314 1 1055 . 1 1 116 116 ALA CB C 13 17.42 0.03 . 1 . . . . . . . . 5314 1 1056 . 1 1 116 116 ALA N N 15 128.26 0.03 . 1 . . . . . . . . 5314 1 1057 . 1 1 117 117 LEU H H 1 7.86 0.03 . 1 . . . . . . . . 5314 1 1058 . 1 1 117 117 LEU HA H 1 4.07 0.03 . 1 . . . . . . . . 5314 1 1059 . 1 1 117 117 LEU HB2 H 1 1.54 0.03 . 1 . . . . . . . . 5314 1 1060 . 1 1 117 117 LEU HB3 H 1 1.54 0.03 . 1 . . . . . . . . 5314 1 1061 . 1 1 117 117 LEU HG H 1 1.35 0.03 . 1 . . . . . . . . 5314 1 1062 . 1 1 117 117 LEU HD11 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1063 . 1 1 117 117 LEU HD12 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1064 . 1 1 117 117 LEU HD13 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1065 . 1 1 117 117 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1066 . 1 1 117 117 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1067 . 1 1 117 117 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 5314 1 1068 . 1 1 117 117 LEU CA C 13 55.03 0.03 . 1 . . . . . . . . 5314 1 1069 . 1 1 117 117 LEU CB C 13 39.89 0.03 . 1 . . . . . . . . 5314 1 1070 . 1 1 117 117 LEU N N 15 128.23 0.03 . 1 . . . . . . . . 5314 1 stop_ save_