data_7095 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7095 _Entry.Title ; Solution structure of BC059385 from Homo sapiens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-05 _Entry.Accession_date 2006-05-09 _Entry.Last_release_date . _Entry.Original_release_date . _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 B. Volkman . F. . 7095 2 N. 'de la Cruz' . B. . 7095 3 B. Lytle . L. . 7095 4 F. Peterson . C. . 7095 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7095 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 7095 '15N chemical shifts' 91 7095 '1H chemical shifts' 664 7095 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-09-17 . original author 'original release' 7095 1 . . 2008-07-15 . update BMRB 'update entry citation' 7095 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GOW 'BMRB Entry Tracking System' 7095 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7095 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17567738 _Citation.Full_citation . _Citation.Title ; Solution structure of a membrane-anchored ubiquitin-fold (MUB) protein from Homo sapiens. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 7 _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 1479 _Citation.Page_last 1484 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. 'de la Cruz' . B. . 7095 1 2 F. Peterson . C. . 7095 1 3 B. Lytle . L. . 7095 1 4 B. Volkman . F. . 7095 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID BC059385 7095 1 'Center for Eukaryotic Structural Genomics' 7095 1 CESG 7095 1 'Protein Structure Initiative' 7095 1 PSI 7095 1 'Structural Genomics' 7095 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 7095 _Assembly.ID 1 _Assembly.Name 'Ubiquitin-like protein 3' _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 monomer 7095 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 'Ubiquitin-like protein 3' 1 $protein_3 . . . . . . . . . 7095 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2GOW . . . . . . 7095 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ubiquitin-like protein 3' abbreviation 7095 1 'Ubiquitin-like protein 3' system 7095 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein_3 _Entity.Sf_category entity _Entity.Sf_framecode protein_3 _Entity.Entry_ID 7095 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ubiquitin-like protein 3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHHHHHHLESSNVPADMINL RLILVSGKTKEFLFSPNDSA SDIAKHVYDNWPMDWEEEQV SSPNILRLIYQGRFLHGNVT LGALKLPFGKTTVMHLVARE TLPEPNSQGQRNREKTGESN CCVIL ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GOW . "Solution Structure Of Bc059385 From Homo Sapiens" . . . . . 100.00 125 100.00 100.00 2.48e-87 . . . . 7095 1 2 no DBJ BAE22201 . "unnamed protein product [Mus musculus]" . . . . . 92.80 117 97.41 98.28 3.42e-77 . . . . 7095 1 3 no DBJ BAE26780 . "unnamed protein product [Mus musculus]" . . . . . 92.80 117 99.14 100.00 5.24e-79 . . . . 7095 1 4 no DBJ BAG34788 . "unnamed protein product [Homo sapiens]" . . . . . 92.80 117 100.00 100.00 3.38e-80 . . . . 7095 1 5 no DBJ BAG51754 . "unnamed protein product [Homo sapiens]" . . . . . 92.80 117 100.00 100.00 3.38e-80 . . . . 7095 1 6 no EMBL CAB45762 . "hypothetical protein [Homo sapiens]" . . . . . 92.80 117 100.00 100.00 3.38e-80 . . . . 7095 1 7 no EMBL CAG32280 . "hypothetical protein RCJMB04_21m19 [Gallus gallus]" . . . . . 92.80 117 98.28 100.00 3.65e-79 . . . . 7095 1 8 no EMBL CAG38489 . "UBL3 [Homo sapiens]" . . . . . 92.80 117 99.14 100.00 5.97e-80 . . . . 7095 1 9 no EMBL CAL38126 . "hypothetical protein [synthetic construct]" . . . . . 92.80 117 100.00 100.00 3.38e-80 . . . . 7095 1 10 no EMBL CAL38242 . "hypothetical protein [synthetic construct]" . . . . . 92.80 117 99.14 99.14 1.68e-79 . . . . 7095 1 11 no GB AAD02323 . "HCG-1 protein [Homo sapiens]" . . . . . 92.80 117 100.00 100.00 3.38e-80 . . . . 7095 1 12 no GB AAD02324 . "HCG-1 protein [Mus musculus]" . . . . . 92.80 117 99.14 100.00 5.24e-79 . . . . 7095 1 13 no GB AAD02325 . "HCG-1 protein [Mus musculus]" . . . . . 78.40 113 97.96 100.00 1.24e-63 . . . . 7095 1 14 no GB AAH24507 . "Ubiquitin-like 3 [Mus musculus]" . . . . . 92.80 117 99.14 100.00 5.24e-79 . . . . 7095 1 15 no GB AAH25595 . "Ubiquitin-like 3 [Mus musculus]" . . . . . 92.80 117 99.14 100.00 5.24e-79 . . . . 7095 1 16 no REF NP_001012847 . "ubiquitin-like protein 3 [Gallus gallus]" . . . . . 92.80 117 98.28 100.00 3.65e-79 . . . . 7095 1 17 no REF NP_001015030 . "ubiquitin-like protein 3 precursor [Rattus norvegicus]" . . . . . 92.80 117 99.14 100.00 5.24e-79 . . . . 7095 1 18 no REF NP_001033233 . "ubiquitin-like protein 3 precursor [Bos taurus]" . . . . . 92.80 117 100.00 100.00 3.38e-80 . . . . 7095 1 19 no REF NP_001244722 . "ubiquitin-like protein 3 [Macaca mulatta]" . . . . . 92.80 117 100.00 100.00 3.38e-80 . . . . 7095 1 20 no REF NP_009037 . "ubiquitin-like protein 3 precursor [Homo sapiens]" . . . . . 92.80 117 100.00 100.00 3.38e-80 . . . . 7095 1 21 no SP O95164 . "RecName: Full=Ubiquitin-like protein 3; AltName: Full=Membrane-anchored ubiquitin-fold protein; Short=HsMUB; Short=MUB; AltName" . . . . . 92.80 117 100.00 100.00 3.38e-80 . . . . 7095 1 22 no SP Q2TA46 . "RecName: Full=Ubiquitin-like protein 3; AltName: Full=Membrane-anchored ubiquitin-fold protein; Short=MUB; Flags: Precursor [Bo" . . . . . 92.80 117 100.00 100.00 3.38e-80 . . . . 7095 1 23 no SP Q5BJT2 . "RecName: Full=Ubiquitin-like protein 3; AltName: Full=Membrane-anchored ubiquitin-fold protein; Short=MUB; Flags: Precursor [Ra" . . . . . 92.80 117 99.14 100.00 5.24e-79 . . . . 7095 1 24 no SP Q9Z2M6 . "RecName: Full=Ubiquitin-like protein 3; AltName: Full=Membrane-anchored ubiquitin-fold protein; Short=MUB; Short=MmMUB; AltName" . . . . . 92.80 117 99.14 100.00 5.24e-79 . . . . 7095 1 25 no TPG DAA23938 . "TPA: ubiquitin-like protein 3 precursor [Bos taurus]" . . . . . 92.80 117 100.00 100.00 3.38e-80 . . . . 7095 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ubiquitin-like protein 3' abbreviation 7095 1 'Ubiquitin-like protein 3' common 7095 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 . GLY . 7095 1 2 . HIS . 7095 1 3 . HIS . 7095 1 4 . HIS . 7095 1 5 . HIS . 7095 1 6 . HIS . 7095 1 7 . HIS . 7095 1 8 . LEU . 7095 1 9 . GLU . 7095 1 10 . SER . 7095 1 11 . SER . 7095 1 12 . ASN . 7095 1 13 . VAL . 7095 1 14 . PRO . 7095 1 15 . ALA . 7095 1 16 . ASP . 7095 1 17 . MET . 7095 1 18 . ILE . 7095 1 19 . ASN . 7095 1 20 . LEU . 7095 1 21 . ARG . 7095 1 22 . LEU . 7095 1 23 . ILE . 7095 1 24 . LEU . 7095 1 25 . VAL . 7095 1 26 . SER . 7095 1 27 . GLY . 7095 1 28 . LYS . 7095 1 29 . THR . 7095 1 30 . LYS . 7095 1 31 . GLU . 7095 1 32 . PHE . 7095 1 33 . LEU . 7095 1 34 . PHE . 7095 1 35 . SER . 7095 1 36 . PRO . 7095 1 37 . ASN . 7095 1 38 . ASP . 7095 1 39 . SER . 7095 1 40 . ALA . 7095 1 41 . SER . 7095 1 42 . ASP . 7095 1 43 . ILE . 7095 1 44 . ALA . 7095 1 45 . LYS . 7095 1 46 . HIS . 7095 1 47 . VAL . 7095 1 48 . TYR . 7095 1 49 . ASP . 7095 1 50 . ASN . 7095 1 51 . TRP . 7095 1 52 . PRO . 7095 1 53 . MET . 7095 1 54 . ASP . 7095 1 55 . TRP . 7095 1 56 . GLU . 7095 1 57 . GLU . 7095 1 58 . GLU . 7095 1 59 . GLN . 7095 1 60 . VAL . 7095 1 61 . SER . 7095 1 62 . SER . 7095 1 63 . PRO . 7095 1 64 . ASN . 7095 1 65 . ILE . 7095 1 66 . LEU . 7095 1 67 . ARG . 7095 1 68 . LEU . 7095 1 69 . ILE . 7095 1 70 . TYR . 7095 1 71 . GLN . 7095 1 72 . GLY . 7095 1 73 . ARG . 7095 1 74 . PHE . 7095 1 75 . LEU . 7095 1 76 . HIS . 7095 1 77 . GLY . 7095 1 78 . ASN . 7095 1 79 . VAL . 7095 1 80 . THR . 7095 1 81 . LEU . 7095 1 82 . GLY . 7095 1 83 . ALA . 7095 1 84 . LEU . 7095 1 85 . LYS . 7095 1 86 . LEU . 7095 1 87 . PRO . 7095 1 88 . PHE . 7095 1 89 . GLY . 7095 1 90 . LYS . 7095 1 91 . THR . 7095 1 92 . THR . 7095 1 93 . VAL . 7095 1 94 . MET . 7095 1 95 . HIS . 7095 1 96 . LEU . 7095 1 97 . VAL . 7095 1 98 . ALA . 7095 1 99 . ARG . 7095 1 100 . GLU . 7095 1 101 . THR . 7095 1 102 . LEU . 7095 1 103 . PRO . 7095 1 104 . GLU . 7095 1 105 . PRO . 7095 1 106 . ASN . 7095 1 107 . SER . 7095 1 108 . GLN . 7095 1 109 . GLY . 7095 1 110 . GLN . 7095 1 111 . ARG . 7095 1 112 . ASN . 7095 1 113 . ARG . 7095 1 114 . GLU . 7095 1 115 . LYS . 7095 1 116 . THR . 7095 1 117 . GLY . 7095 1 118 . GLU . 7095 1 119 . SER . 7095 1 120 . ASN . 7095 1 121 . CYS . 7095 1 122 . CYS . 7095 1 123 . VAL . 7095 1 124 . ILE . 7095 1 125 . LEU . 7095 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 7095 1 . HIS 2 2 7095 1 . HIS 3 3 7095 1 . HIS 4 4 7095 1 . HIS 5 5 7095 1 . HIS 6 6 7095 1 . HIS 7 7 7095 1 . LEU 8 8 7095 1 . GLU 9 9 7095 1 . SER 10 10 7095 1 . SER 11 11 7095 1 . ASN 12 12 7095 1 . VAL 13 13 7095 1 . PRO 14 14 7095 1 . ALA 15 15 7095 1 . ASP 16 16 7095 1 . MET 17 17 7095 1 . ILE 18 18 7095 1 . ASN 19 19 7095 1 . LEU 20 20 7095 1 . ARG 21 21 7095 1 . LEU 22 22 7095 1 . ILE 23 23 7095 1 . LEU 24 24 7095 1 . VAL 25 25 7095 1 . SER 26 26 7095 1 . GLY 27 27 7095 1 . LYS 28 28 7095 1 . THR 29 29 7095 1 . LYS 30 30 7095 1 . GLU 31 31 7095 1 . PHE 32 32 7095 1 . LEU 33 33 7095 1 . PHE 34 34 7095 1 . SER 35 35 7095 1 . PRO 36 36 7095 1 . ASN 37 37 7095 1 . ASP 38 38 7095 1 . SER 39 39 7095 1 . ALA 40 40 7095 1 . SER 41 41 7095 1 . ASP 42 42 7095 1 . ILE 43 43 7095 1 . ALA 44 44 7095 1 . LYS 45 45 7095 1 . HIS 46 46 7095 1 . VAL 47 47 7095 1 . TYR 48 48 7095 1 . ASP 49 49 7095 1 . ASN 50 50 7095 1 . TRP 51 51 7095 1 . PRO 52 52 7095 1 . MET 53 53 7095 1 . ASP 54 54 7095 1 . TRP 55 55 7095 1 . GLU 56 56 7095 1 . GLU 57 57 7095 1 . GLU 58 58 7095 1 . GLN 59 59 7095 1 . VAL 60 60 7095 1 . SER 61 61 7095 1 . SER 62 62 7095 1 . PRO 63 63 7095 1 . ASN 64 64 7095 1 . ILE 65 65 7095 1 . LEU 66 66 7095 1 . ARG 67 67 7095 1 . LEU 68 68 7095 1 . ILE 69 69 7095 1 . TYR 70 70 7095 1 . GLN 71 71 7095 1 . GLY 72 72 7095 1 . ARG 73 73 7095 1 . PHE 74 74 7095 1 . LEU 75 75 7095 1 . HIS 76 76 7095 1 . GLY 77 77 7095 1 . ASN 78 78 7095 1 . VAL 79 79 7095 1 . THR 80 80 7095 1 . LEU 81 81 7095 1 . GLY 82 82 7095 1 . ALA 83 83 7095 1 . LEU 84 84 7095 1 . LYS 85 85 7095 1 . LEU 86 86 7095 1 . PRO 87 87 7095 1 . PHE 88 88 7095 1 . GLY 89 89 7095 1 . LYS 90 90 7095 1 . THR 91 91 7095 1 . THR 92 92 7095 1 . VAL 93 93 7095 1 . MET 94 94 7095 1 . HIS 95 95 7095 1 . LEU 96 96 7095 1 . VAL 97 97 7095 1 . ALA 98 98 7095 1 . ARG 99 99 7095 1 . GLU 100 100 7095 1 . THR 101 101 7095 1 . LEU 102 102 7095 1 . PRO 103 103 7095 1 . GLU 104 104 7095 1 . PRO 105 105 7095 1 . ASN 106 106 7095 1 . SER 107 107 7095 1 . GLN 108 108 7095 1 . GLY 109 109 7095 1 . GLN 110 110 7095 1 . ARG 111 111 7095 1 . ASN 112 112 7095 1 . ARG 113 113 7095 1 . GLU 114 114 7095 1 . LYS 115 115 7095 1 . THR 116 116 7095 1 . GLY 117 117 7095 1 . GLU 118 118 7095 1 . SER 119 119 7095 1 . ASN 120 120 7095 1 . CYS 121 121 7095 1 . CYS 122 122 7095 1 . VAL 123 123 7095 1 . ILE 124 124 7095 1 . LEU 125 125 7095 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7095 _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 $protein_3 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7095 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 7095 _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 $protein_3 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7095 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7095 _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 'Ubiquitin-like protein 3' '[U-15N; U-13C]' . . 1 $protein_3 . . 0.5 . . mM . . . . 7095 1 2 'deuterated sodium acetate' . . . . . . . 10 . . mM . . . . 7095 1 3 NaCl . . . . . . . 100 . . mM . . . . 7095 1 4 Dithiothreitol . . . . . . . 2 . . mM . . . . 7095 1 5 H2O . . . . . . . 90 . . % . . . . 7095 1 6 D2O . . . . . . . 10 . . % . . . . 7095 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7095 _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 'ionic strength' 106 . mM 7095 1 pH 5.0 . n/a 7095 1 pressure 1 . atm 7095 1 temperature 298 . K 7095 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7095 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7095 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 7095 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2004 _Software.Details 'Delagio,F. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7095 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 7095 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3 _Software.Details 'Eccles, C.; Guntert, P.; Billeter, M.; Wuthrich, K.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7095 3 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 7095 _Software.ID 4 _Software.Name SPSCAN _Software.Version 1.1.0 _Software.Details 'R.W. Glaser' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7095 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 7095 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details 'C. Bartels' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7095 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 7095 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details 'Guntert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 7095 6 stop_ save_ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 7095 _Software.ID 7 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details 'SCHWIETERS, C.D., KUSZEWSKI, J.J., TJANDRA, N., CLORE, G.M.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7095 7 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 7095 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7095 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 7095 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 7095 _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 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7095 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7095 1 3 '3D 13C-separated NOESY (AROMATIC)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7095 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 7095 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated 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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 7095 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated 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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 7095 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 13C-separated NOESY (AROMATIC)' _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7095 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . . . . . . . 7095 1 H 1 . . . . . . ppm . . . . . . . . . . . . . 7095 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 7095 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7095 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7095 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 10 10 SER HA H 1 4.435 0.000 . 1 . . . . . . . . 7095 1 2 . 1 1 10 10 SER HB2 H 1 3.816 0.000 . 2 . . . . . . . . 7095 1 3 . 1 1 10 10 SER C C 13 174.541 0.000 . 1 . . . . . . . . 7095 1 4 . 1 1 10 10 SER CA C 13 58.599 0.000 . 1 . . . . . . . . 7095 1 5 . 1 1 10 10 SER CB C 13 68.708 0.000 . 1 . . . . . . . . 7095 1 6 . 1 1 11 11 SER H H 1 8.326 0.002 . 1 . . . . . . . . 7095 1 7 . 1 1 11 11 SER HA H 1 4.415 0.000 . 1 . . . . . . . . 7095 1 8 . 1 1 11 11 SER HB2 H 1 3.809 0.000 . 2 . . . . . . . . 7095 1 9 . 1 1 11 11 SER HB3 H 1 3.841 0.000 . 2 . . . . . . . . 7095 1 10 . 1 1 11 11 SER C C 13 174.134 0.000 . 1 . . . . . . . . 7095 1 11 . 1 1 11 11 SER CA C 13 58.479 0.000 . 1 . . . . . . . . 7095 1 12 . 1 1 11 11 SER CB C 13 64.179 0.000 . 1 . . . . . . . . 7095 1 13 . 1 1 11 11 SER N N 15 117.710 0.000 . 1 . . . . . . . . 7095 1 14 . 1 1 12 12 ASN H H 1 8.367 0.001 . 1 . . . . . . . . 7095 1 15 . 1 1 12 12 ASN HA H 1 4.764 0.000 . 1 . . . . . . . . 7095 1 16 . 1 1 12 12 ASN HB2 H 1 2.780 0.000 . 2 . . . . . . . . 7095 1 17 . 1 1 12 12 ASN HB3 H 1 2.926 0.006 . 2 . . . . . . . . 7095 1 18 . 1 1 12 12 ASN C C 13 174.456 0.158 . 1 . . . . . . . . 7095 1 19 . 1 1 12 12 ASN CA C 13 53.549 0.000 . 1 . . . . . . . . 7095 1 20 . 1 1 12 12 ASN CB C 13 39.577 0.026 . 1 . . . . . . . . 7095 1 21 . 1 1 12 12 ASN N N 15 120.924 0.000 . 1 . . . . . . . . 7095 1 22 . 1 1 13 13 VAL H H 1 8.122 0.001 . 1 . . . . . . . . 7095 1 23 . 1 1 13 13 VAL HA H 1 4.179 0.000 . 1 . . . . . . . . 7095 1 24 . 1 1 13 13 VAL HB H 1 1.784 0.000 . 1 . . . . . . . . 7095 1 25 . 1 1 13 13 VAL HG11 H 1 0.797 0.000 . 2 . . . . . . . . 7095 1 26 . 1 1 13 13 VAL HG12 H 1 0.797 0.000 . 2 . . . . . . . . 7095 1 27 . 1 1 13 13 VAL HG13 H 1 0.797 0.000 . 2 . . . . . . . . 7095 1 28 . 1 1 13 13 VAL HG21 H 1 0.729 0.000 . 2 . . . . . . . . 7095 1 29 . 1 1 13 13 VAL HG22 H 1 0.729 0.000 . 2 . . . . . . . . 7095 1 30 . 1 1 13 13 VAL HG23 H 1 0.729 0.000 . 2 . . . . . . . . 7095 1 31 . 1 1 13 13 VAL CA C 13 59.994 0.000 . 1 . . . . . . . . 7095 1 32 . 1 1 13 13 VAL CB C 13 33.451 0.000 . 1 . . . . . . . . 7095 1 33 . 1 1 13 13 VAL CG1 C 13 21.174 0.000 . 1 . . . . . . . . 7095 1 34 . 1 1 13 13 VAL CG2 C 13 21.498 0.000 . 1 . . . . . . . . 7095 1 35 . 1 1 13 13 VAL N N 15 123.547 0.000 . 1 . . . . . . . . 7095 1 36 . 1 1 14 14 PRO HA H 1 4.296 0.000 . 1 . . . . . . . . 7095 1 37 . 1 1 14 14 PRO HB2 H 1 1.722 0.000 . 2 . . . . . . . . 7095 1 38 . 1 1 14 14 PRO HB3 H 1 2.363 0.000 . 2 . . . . . . . . 7095 1 39 . 1 1 14 14 PRO HG2 H 1 1.992 0.000 . 1 . . . . . . . . 7095 1 40 . 1 1 14 14 PRO HG3 H 1 1.992 0.000 . 1 . . . . . . . . 7095 1 41 . 1 1 14 14 PRO HD2 H 1 3.371 0.000 . 2 . . . . . . . . 7095 1 42 . 1 1 14 14 PRO HD3 H 1 3.946 0.000 . 2 . . . . . . . . 7095 1 43 . 1 1 14 14 PRO C C 13 176.691 0.000 . 1 . . . . . . . . 7095 1 44 . 1 1 14 14 PRO CA C 13 63.566 0.000 . 1 . . . . . . . . 7095 1 45 . 1 1 14 14 PRO CB C 13 32.480 0.000 . 1 . . . . . . . . 7095 1 46 . 1 1 14 14 PRO CG C 13 27.948 0.000 . 1 . . . . . . . . 7095 1 47 . 1 1 14 14 PRO CD C 13 51.900 0.310 . 1 . . . . . . . . 7095 1 48 . 1 1 15 15 ALA H H 1 8.335 0.000 . 1 . . . . . . . . 7095 1 49 . 1 1 15 15 ALA HA H 1 4.031 0.000 . 1 . . . . . . . . 7095 1 50 . 1 1 15 15 ALA HB1 H 1 1.364 0.000 . 1 . . . . . . . . 7095 1 51 . 1 1 15 15 ALA HB2 H 1 1.364 0.000 . 1 . . . . . . . . 7095 1 52 . 1 1 15 15 ALA HB3 H 1 1.364 0.000 . 1 . . . . . . . . 7095 1 53 . 1 1 15 15 ALA C C 13 177.120 0.000 . 1 . . . . . . . . 7095 1 54 . 1 1 15 15 ALA CA C 13 54.158 0.000 . 1 . . . . . . . . 7095 1 55 . 1 1 15 15 ALA CB C 13 19.192 0.000 . 1 . . . . . . . . 7095 1 56 . 1 1 15 15 ALA N N 15 122.068 0.000 . 1 . . . . . . . . 7095 1 57 . 1 1 16 16 ASP H H 1 8.166 0.001 . 1 . . . . . . . . 7095 1 58 . 1 1 16 16 ASP HA H 1 4.368 0.000 . 1 . . . . . . . . 7095 1 59 . 1 1 16 16 ASP HB2 H 1 2.767 0.000 . 2 . . . . . . . . 7095 1 60 . 1 1 16 16 ASP HB3 H 1 2.403 0.000 . 2 . . . . . . . . 7095 1 61 . 1 1 16 16 ASP C C 13 175.011 0.000 . 1 . . . . . . . . 7095 1 62 . 1 1 16 16 ASP CA C 13 52.783 0.000 . 1 . . . . . . . . 7095 1 63 . 1 1 16 16 ASP CB C 13 40.230 0.000 . 1 . . . . . . . . 7095 1 64 . 1 1 16 16 ASP N N 15 113.809 0.000 . 1 . . . . . . . . 7095 1 65 . 1 1 17 17 MET H H 1 7.525 0.000 . 1 . . . . . . . . 7095 1 66 . 1 1 17 17 MET HA H 1 4.972 0.000 . 1 . . . . . . . . 7095 1 67 . 1 1 17 17 MET HB2 H 1 1.964 0.000 . 2 . . . . . . . . 7095 1 68 . 1 1 17 17 MET HB3 H 1 1.676 0.000 . 2 . . . . . . . . 7095 1 69 . 1 1 17 17 MET HG2 H 1 2.474 0.000 . 2 . . . . . . . . 7095 1 70 . 1 1 17 17 MET HG3 H 1 2.408 0.000 . 2 . . . . . . . . 7095 1 71 . 1 1 17 17 MET HE1 H 1 1.834 0.000 . 1 . . . . . . . . 7095 1 72 . 1 1 17 17 MET HE2 H 1 1.834 0.000 . 1 . . . . . . . . 7095 1 73 . 1 1 17 17 MET HE3 H 1 1.834 0.000 . 1 . . . . . . . . 7095 1 74 . 1 1 17 17 MET C C 13 174.040 0.000 . 1 . . . . . . . . 7095 1 75 . 1 1 17 17 MET CA C 13 53.846 0.000 . 1 . . . . . . . . 7095 1 76 . 1 1 17 17 MET CB C 13 36.688 0.000 . 1 . . . . . . . . 7095 1 77 . 1 1 17 17 MET CG C 13 33.127 0.000 . 1 . . . . . . . . 7095 1 78 . 1 1 17 17 MET CE C 13 17.930 0.000 . 1 . . . . . . . . 7095 1 79 . 1 1 17 17 MET N N 15 116.241 0.000 . 1 . . . . . . . . 7095 1 80 . 1 1 18 18 ILE H H 1 8.842 0.001 . 1 . . . . . . . . 7095 1 81 . 1 1 18 18 ILE HA H 1 4.087 0.000 . 1 . . . . . . . . 7095 1 82 . 1 1 18 18 ILE HB H 1 1.427 0.000 . 1 . . . . . . . . 7095 1 83 . 1 1 18 18 ILE HG12 H 1 0.864 0.001 . 2 . . . . . . . . 7095 1 84 . 1 1 18 18 ILE HG13 H 1 1.187 0.000 . 2 . . . . . . . . 7095 1 85 . 1 1 18 18 ILE HG21 H 1 0.491 0.000 . 1 . . . . . . . . 7095 1 86 . 1 1 18 18 ILE HG22 H 1 0.491 0.000 . 1 . . . . . . . . 7095 1 87 . 1 1 18 18 ILE HG23 H 1 0.491 0.000 . 1 . . . . . . . . 7095 1 88 . 1 1 18 18 ILE HD11 H 1 0.799 0.000 . 1 . . . . . . . . 7095 1 89 . 1 1 18 18 ILE HD12 H 1 0.799 0.000 . 1 . . . . . . . . 7095 1 90 . 1 1 18 18 ILE HD13 H 1 0.799 0.000 . 1 . . . . . . . . 7095 1 91 . 1 1 18 18 ILE C C 13 174.040 0.000 . 1 . . . . . . . . 7095 1 92 . 1 1 18 18 ILE CA C 13 60.942 0.000 . 1 . . . . . . . . 7095 1 93 . 1 1 18 18 ILE CB C 13 41.313 0.000 . 1 . . . . . . . . 7095 1 94 . 1 1 18 18 ILE CG1 C 13 28.247 0.026 . 1 . . . . . . . . 7095 1 95 . 1 1 18 18 ILE CG2 C 13 15.022 0.000 . 1 . . . . . . . . 7095 1 96 . 1 1 18 18 ILE CD1 C 13 17.880 0.000 . 1 . . . . . . . . 7095 1 97 . 1 1 18 18 ILE N N 15 120.776 0.000 . 1 . . . . . . . . 7095 1 98 . 1 1 19 19 ASN H H 1 7.712 0.000 . 1 . . . . . . . . 7095 1 99 . 1 1 19 19 ASN HA H 1 5.290 0.000 . 1 . . . . . . . . 7095 1 100 . 1 1 19 19 ASN HB2 H 1 2.198 0.003 . 2 . . . . . . . . 7095 1 101 . 1 1 19 19 ASN HB3 H 1 2.770 0.000 . 2 . . . . . . . . 7095 1 102 . 1 1 19 19 ASN HD21 H 1 7.350 0.001 . 2 . . . . . . . . 7095 1 103 . 1 1 19 19 ASN HD22 H 1 6.626 0.001 . 2 . . . . . . . . 7095 1 104 . 1 1 19 19 ASN C C 13 173.491 0.000 . 1 . . . . . . . . 7095 1 105 . 1 1 19 19 ASN CA C 13 52.562 0.000 . 1 . . . . . . . . 7095 1 106 . 1 1 19 19 ASN CB C 13 40.896 0.000 . 1 . . . . . . . . 7095 1 107 . 1 1 19 19 ASN N N 15 125.575 0.000 . 1 . . . . . . . . 7095 1 108 . 1 1 19 19 ASN ND2 N 15 112.750 0.007 . 1 . . . . . . . . 7095 1 109 . 1 1 20 20 LEU H H 1 9.440 0.001 . 1 . . . . . . . . 7095 1 110 . 1 1 20 20 LEU HA H 1 5.400 0.000 . 1 . . . . . . . . 7095 1 111 . 1 1 20 20 LEU HB2 H 1 1.607 0.000 . 2 . . . . . . . . 7095 1 112 . 1 1 20 20 LEU HB3 H 1 1.809 0.000 . 2 . . . . . . . . 7095 1 113 . 1 1 20 20 LEU HG H 1 1.693 0.000 . 1 . . . . . . . . 7095 1 114 . 1 1 20 20 LEU HD11 H 1 0.774 0.000 . 2 . . . . . . . . 7095 1 115 . 1 1 20 20 LEU HD12 H 1 0.774 0.000 . 2 . . . . . . . . 7095 1 116 . 1 1 20 20 LEU HD13 H 1 0.774 0.000 . 2 . . . . . . . . 7095 1 117 . 1 1 20 20 LEU HD21 H 1 0.851 0.000 . 2 . . . . . . . . 7095 1 118 . 1 1 20 20 LEU HD22 H 1 0.851 0.000 . 2 . . . . . . . . 7095 1 119 . 1 1 20 20 LEU HD23 H 1 0.851 0.000 . 2 . . . . . . . . 7095 1 120 . 1 1 20 20 LEU C C 13 175.634 0.110 . 1 . . . . . . . . 7095 1 121 . 1 1 20 20 LEU CA C 13 52.842 0.000 . 1 . . . . . . . . 7095 1 122 . 1 1 20 20 LEU CB C 13 45.158 0.000 . 1 . . . . . . . . 7095 1 123 . 1 1 20 20 LEU CG C 13 27.300 0.000 . 1 . . . . . . . . 7095 1 124 . 1 1 20 20 LEU CD1 C 13 25.358 0.000 . 1 . . . . . . . . 7095 1 125 . 1 1 20 20 LEU CD2 C 13 25.682 0.000 . 1 . . . . . . . . 7095 1 126 . 1 1 20 20 LEU N N 15 127.683 0.000 . 1 . . . . . . . . 7095 1 127 . 1 1 21 21 ARG H H 1 8.993 0.001 . 1 . . . . . . . . 7095 1 128 . 1 1 21 21 ARG HA H 1 4.611 0.000 . 1 . . . . . . . . 7095 1 129 . 1 1 21 21 ARG HB2 H 1 1.729 0.000 . 1 . . . . . . . . 7095 1 130 . 1 1 21 21 ARG HB3 H 1 1.729 0.000 . 1 . . . . . . . . 7095 1 131 . 1 1 21 21 ARG HG2 H 1 1.321 0.000 . 1 . . . . . . . . 7095 1 132 . 1 1 21 21 ARG HG3 H 1 1.321 0.000 . 1 . . . . . . . . 7095 1 133 . 1 1 21 21 ARG HD2 H 1 3.148 0.000 . 1 . . . . . . . . 7095 1 134 . 1 1 21 21 ARG HD3 H 1 3.148 0.000 . 1 . . . . . . . . 7095 1 135 . 1 1 21 21 ARG C C 13 173.676 0.000 . 1 . . . . . . . . 7095 1 136 . 1 1 21 21 ARG CA C 13 55.437 0.000 . 1 . . . . . . . . 7095 1 137 . 1 1 21 21 ARG CB C 13 31.655 0.000 . 1 . . . . . . . . 7095 1 138 . 1 1 21 21 ARG CG C 13 27.622 0.000 . 1 . . . . . . . . 7095 1 139 . 1 1 21 21 ARG CD C 13 43.649 0.000 . 1 . . . . . . . . 7095 1 140 . 1 1 21 21 ARG N N 15 120.581 0.000 . 1 . . . . . . . . 7095 1 141 . 1 1 22 22 LEU H H 1 8.858 0.001 . 1 . . . . . . . . 7095 1 142 . 1 1 22 22 LEU HA H 1 5.246 0.000 . 1 . . . . . . . . 7095 1 143 . 1 1 22 22 LEU HB2 H 1 2.311 0.000 . 2 . . . . . . . . 7095 1 144 . 1 1 22 22 LEU HB3 H 1 1.285 0.000 . 2 . . . . . . . . 7095 1 145 . 1 1 22 22 LEU HG H 1 1.908 0.000 . 1 . . . . . . . . 7095 1 146 . 1 1 22 22 LEU HD11 H 1 0.795 0.000 . 2 . . . . . . . . 7095 1 147 . 1 1 22 22 LEU HD12 H 1 0.795 0.000 . 2 . . . . . . . . 7095 1 148 . 1 1 22 22 LEU HD13 H 1 0.795 0.000 . 2 . . . . . . . . 7095 1 149 . 1 1 22 22 LEU HD21 H 1 0.913 0.000 . 2 . . . . . . . . 7095 1 150 . 1 1 22 22 LEU HD22 H 1 0.913 0.000 . 2 . . . . . . . . 7095 1 151 . 1 1 22 22 LEU HD23 H 1 0.913 0.000 . 2 . . . . . . . . 7095 1 152 . 1 1 22 22 LEU C C 13 176.265 0.000 . 1 . . . . . . . . 7095 1 153 . 1 1 22 22 LEU CA C 13 53.715 0.000 . 1 . . . . . . . . 7095 1 154 . 1 1 22 22 LEU CB C 13 44.289 0.000 . 1 . . . . . . . . 7095 1 155 . 1 1 22 22 LEU CG C 13 27.300 0.000 . 1 . . . . . . . . 7095 1 156 . 1 1 22 22 LEU CD1 C 13 25.682 0.000 . 1 . . . . . . . . 7095 1 157 . 1 1 22 22 LEU CD2 C 13 27.300 0.000 . 1 . . . . . . . . 7095 1 158 . 1 1 22 22 LEU N N 15 126.214 0.000 . 1 . . . . . . . . 7095 1 159 . 1 1 23 23 ILE H H 1 7.786 0.001 . 1 . . . . . . . . 7095 1 160 . 1 1 23 23 ILE HA H 1 4.780 0.000 . 1 . . . . . . . . 7095 1 161 . 1 1 23 23 ILE HB H 1 0.869 0.000 . 1 . . . . . . . . 7095 1 162 . 1 1 23 23 ILE HG12 H 1 1.360 0.000 . 2 . . . . . . . . 7095 1 163 . 1 1 23 23 ILE HG13 H 1 0.872 0.000 . 2 . . . . . . . . 7095 1 164 . 1 1 23 23 ILE HG21 H 1 0.827 0.000 . 1 . . . . . . . . 7095 1 165 . 1 1 23 23 ILE HG22 H 1 0.827 0.000 . 1 . . . . . . . . 7095 1 166 . 1 1 23 23 ILE HG23 H 1 0.827 0.000 . 1 . . . . . . . . 7095 1 167 . 1 1 23 23 ILE HD11 H 1 0.539 0.000 . 1 . . . . . . . . 7095 1 168 . 1 1 23 23 ILE HD12 H 1 0.539 0.000 . 1 . . . . . . . . 7095 1 169 . 1 1 23 23 ILE HD13 H 1 0.539 0.000 . 1 . . . . . . . . 7095 1 170 . 1 1 23 23 ILE C C 13 177.310 0.000 . 1 . . . . . . . . 7095 1 171 . 1 1 23 23 ILE CA C 13 60.405 0.000 . 1 . . . . . . . . 7095 1 172 . 1 1 23 23 ILE CB C 13 41.055 0.000 . 1 . . . . . . . . 7095 1 173 . 1 1 23 23 ILE CG1 C 13 26.653 0.000 . 1 . . . . . . . . 7095 1 174 . 1 1 23 23 ILE CG2 C 13 16.642 0.000 . 1 . . . . . . . . 7095 1 175 . 1 1 23 23 ILE CD1 C 13 15.024 0.000 . 1 . . . . . . . . 7095 1 176 . 1 1 23 23 ILE N N 15 120.035 0.000 . 1 . . . . . . . . 7095 1 177 . 1 1 24 24 LEU H H 1 8.551 0.001 . 1 . . . . . . . . 7095 1 178 . 1 1 24 24 LEU HA H 1 4.929 0.000 . 1 . . . . . . . . 7095 1 179 . 1 1 24 24 LEU HB2 H 1 1.492 0.000 . 2 . . . . . . . . 7095 1 180 . 1 1 24 24 LEU HB3 H 1 1.141 0.000 . 2 . . . . . . . . 7095 1 181 . 1 1 24 24 LEU HG H 1 0.737 0.001 . 1 . . . . . . . . 7095 1 182 . 1 1 24 24 LEU HD11 H 1 1.536 0.001 . 2 . . . . . . . . 7095 1 183 . 1 1 24 24 LEU HD12 H 1 1.536 0.001 . 2 . . . . . . . . 7095 1 184 . 1 1 24 24 LEU HD13 H 1 1.536 0.001 . 2 . . . . . . . . 7095 1 185 . 1 1 24 24 LEU C C 13 180.736 0.000 . 1 . . . . . . . . 7095 1 186 . 1 1 24 24 LEU CA C 13 54.714 0.000 . 1 . . . . . . . . 7095 1 187 . 1 1 24 24 LEU CB C 13 44.034 0.075 . 1 . . . . . . . . 7095 1 188 . 1 1 24 24 LEU CG C 13 24.711 0.000 . 1 . . . . . . . . 7095 1 189 . 1 1 24 24 LEU CD1 C 13 25.358 0.000 . 1 . . . . . . . . 7095 1 190 . 1 1 24 24 LEU N N 15 127.444 0.000 . 1 . . . . . . . . 7095 1 191 . 1 1 25 25 VAL H H 1 9.346 0.001 . 1 . . . . . . . . 7095 1 192 . 1 1 25 25 VAL HA H 1 3.902 0.000 . 1 . . . . . . . . 7095 1 193 . 1 1 25 25 VAL HB H 1 2.218 0.000 . 1 . . . . . . . . 7095 1 194 . 1 1 25 25 VAL HG11 H 1 1.124 0.000 . 2 . . . . . . . . 7095 1 195 . 1 1 25 25 VAL HG12 H 1 1.124 0.000 . 2 . . . . . . . . 7095 1 196 . 1 1 25 25 VAL HG13 H 1 1.124 0.000 . 2 . . . . . . . . 7095 1 197 . 1 1 25 25 VAL HG21 H 1 1.053 0.001 . 2 . . . . . . . . 7095 1 198 . 1 1 25 25 VAL HG22 H 1 1.053 0.001 . 2 . . . . . . . . 7095 1 199 . 1 1 25 25 VAL HG23 H 1 1.053 0.001 . 2 . . . . . . . . 7095 1 200 . 1 1 25 25 VAL C C 13 176.809 0.000 . 1 . . . . . . . . 7095 1 201 . 1 1 25 25 VAL CA C 13 65.797 0.000 . 1 . . . . . . . . 7095 1 202 . 1 1 25 25 VAL CB C 13 31.881 0.000 . 1 . . . . . . . . 7095 1 203 . 1 1 25 25 VAL CG1 C 13 21.498 0.000 . 1 . . . . . . . . 7095 1 204 . 1 1 25 25 VAL CG2 C 13 21.498 0.000 . 1 . . . . . . . . 7095 1 205 . 1 1 25 25 VAL N N 15 122.570 0.000 . 1 . . . . . . . . 7095 1 206 . 1 1 26 26 SER H H 1 7.489 0.001 . 1 . . . . . . . . 7095 1 207 . 1 1 26 26 SER HA H 1 4.241 0.000 . 1 . . . . . . . . 7095 1 208 . 1 1 26 26 SER HB2 H 1 3.955 0.000 . 1 . . . . . . . . 7095 1 209 . 1 1 26 26 SER HB3 H 1 3.955 0.000 . 1 . . . . . . . . 7095 1 210 . 1 1 26 26 SER C C 13 176.133 0.000 . 1 . . . . . . . . 7095 1 211 . 1 1 26 26 SER CA C 13 58.401 0.000 . 1 . . . . . . . . 7095 1 212 . 1 1 26 26 SER CB C 13 64.479 0.000 . 1 . . . . . . . . 7095 1 213 . 1 1 26 26 SER N N 15 112.092 0.000 . 1 . . . . . . . . 7095 1 214 . 1 1 27 27 GLY H H 1 8.183 0.001 . 1 . . . . . . . . 7095 1 215 . 1 1 27 27 GLY HA2 H 1 4.390 0.000 . 2 . . . . . . . . 7095 1 216 . 1 1 27 27 GLY HA3 H 1 3.431 0.000 . 2 . . . . . . . . 7095 1 217 . 1 1 27 27 GLY C C 13 174.362 0.000 . 1 . . . . . . . . 7095 1 218 . 1 1 27 27 GLY CA C 13 44.915 0.000 . 1 . . . . . . . . 7095 1 219 . 1 1 27 27 GLY N N 15 110.970 0.000 . 1 . . . . . . . . 7095 1 220 . 1 1 28 28 LYS H H 1 6.877 0.001 . 1 . . . . . . . . 7095 1 221 . 1 1 28 28 LYS HA H 1 4.267 0.000 . 1 . . . . . . . . 7095 1 222 . 1 1 28 28 LYS HB2 H 1 1.488 0.000 . 2 . . . . . . . . 7095 1 223 . 1 1 28 28 LYS HB3 H 1 1.530 0.000 . 2 . . . . . . . . 7095 1 224 . 1 1 28 28 LYS HG2 H 1 0.850 0.000 . 1 . . . . . . . . 7095 1 225 . 1 1 28 28 LYS HG3 H 1 0.850 0.000 . 1 . . . . . . . . 7095 1 226 . 1 1 28 28 LYS HD2 H 1 0.788 0.000 . 1 . . . . . . . . 7095 1 227 . 1 1 28 28 LYS HD3 H 1 0.788 0.000 . 1 . . . . . . . . 7095 1 228 . 1 1 28 28 LYS C C 13 175.594 0.000 . 1 . . . . . . . . 7095 1 229 . 1 1 28 28 LYS CA C 13 55.463 0.000 . 1 . . . . . . . . 7095 1 230 . 1 1 28 28 LYS CB C 13 42.514 0.000 . 1 . . . . . . . . 7095 1 231 . 1 1 28 28 LYS CG C 13 25.358 0.000 . 1 . . . . . . . . 7095 1 232 . 1 1 28 28 LYS CD C 13 23.740 0.000 . 1 . . . . . . . . 7095 1 233 . 1 1 28 28 LYS N N 15 121.031 0.000 . 1 . . . . . . . . 7095 1 234 . 1 1 29 29 THR H H 1 8.401 0.001 . 1 . . . . . . . . 7095 1 235 . 1 1 29 29 THR HA H 1 5.891 0.000 . 1 . . . . . . . . 7095 1 236 . 1 1 29 29 THR HB H 1 3.887 0.000 . 1 . . . . . . . . 7095 1 237 . 1 1 29 29 THR HG21 H 1 1.136 0.000 . 1 . . . . . . . . 7095 1 238 . 1 1 29 29 THR HG22 H 1 1.136 0.000 . 1 . . . . . . . . 7095 1 239 . 1 1 29 29 THR HG23 H 1 1.136 0.000 . 1 . . . . . . . . 7095 1 240 . 1 1 29 29 THR C C 13 177.304 0.000 . 1 . . . . . . . . 7095 1 241 . 1 1 29 29 THR CA C 13 60.965 0.000 . 1 . . . . . . . . 7095 1 242 . 1 1 29 29 THR CB C 13 72.919 0.000 . 1 . . . . . . . . 7095 1 243 . 1 1 29 29 THR CG2 C 13 21.498 0.000 . 1 . . . . . . . . 7095 1 244 . 1 1 29 29 THR N N 15 113.229 0.000 . 1 . . . . . . . . 7095 1 245 . 1 1 30 30 LYS H H 1 7.772 0.000 . 1 . . . . . . . . 7095 1 246 . 1 1 30 30 LYS HA H 1 4.260 0.000 . 1 . . . . . . . . 7095 1 247 . 1 1 30 30 LYS HB2 H 1 1.534 0.000 . 2 . . . . . . . . 7095 1 248 . 1 1 30 30 LYS HB3 H 1 1.491 0.000 . 2 . . . . . . . . 7095 1 249 . 1 1 30 30 LYS HG2 H 1 0.911 0.000 . 2 . . . . . . . . 7095 1 250 . 1 1 30 30 LYS HG3 H 1 0.654 0.000 . 2 . . . . . . . . 7095 1 251 . 1 1 30 30 LYS HD2 H 1 1.475 0.000 . 1 . . . . . . . . 7095 1 252 . 1 1 30 30 LYS HD3 H 1 1.475 0.000 . 1 . . . . . . . . 7095 1 253 . 1 1 30 30 LYS CA C 13 55.165 0.000 . 1 . . . . . . . . 7095 1 254 . 1 1 30 30 LYS CB C 13 42.514 0.000 . 1 . . . . . . . . 7095 1 255 . 1 1 30 30 LYS CG C 13 26.977 0.000 . 1 . . . . . . . . 7095 1 256 . 1 1 30 30 LYS CD C 13 27.300 0.000 . 1 . . . . . . . . 7095 1 257 . 1 1 30 30 LYS N N 15 114.384 0.000 . 1 . . . . . . . . 7095 1 258 . 1 1 31 31 GLU HA H 1 5.574 0.000 . 1 . . . . . . . . 7095 1 259 . 1 1 31 31 GLU HB2 H 1 1.644 0.000 . 2 . . . . . . . . 7095 1 260 . 1 1 31 31 GLU HB3 H 1 2.068 0.001 . 2 . . . . . . . . 7095 1 261 . 1 1 31 31 GLU HG2 H 1 2.259 0.000 . 2 . . . . . . . . 7095 1 262 . 1 1 31 31 GLU HG3 H 1 1.872 0.001 . 2 . . . . . . . . 7095 1 263 . 1 1 31 31 GLU CA C 13 54.831 0.000 . 1 . . . . . . . . 7095 1 264 . 1 1 31 31 GLU CB C 13 30.886 0.020 . 1 . . . . . . . . 7095 1 265 . 1 1 31 31 GLU CG C 13 37.012 0.000 . 1 . . . . . . . . 7095 1 266 . 1 1 32 32 PHE HA H 1 4.458 0.000 . 1 . . . . . . . . 7095 1 267 . 1 1 32 32 PHE HB2 H 1 2.630 0.000 . 2 . . . . . . . . 7095 1 268 . 1 1 32 32 PHE HB3 H 1 2.534 0.001 . 2 . . . . . . . . 7095 1 269 . 1 1 32 32 PHE C C 13 173.075 0.000 . 1 . . . . . . . . 7095 1 270 . 1 1 32 32 PHE CA C 13 57.062 0.000 . 1 . . . . . . . . 7095 1 271 . 1 1 32 32 PHE CB C 13 46.448 0.050 . 1 . . . . . . . . 7095 1 272 . 1 1 33 33 LEU H H 1 7.887 0.001 . 1 . . . . . . . . 7095 1 273 . 1 1 33 33 LEU HA H 1 4.931 0.000 . 1 . . . . . . . . 7095 1 274 . 1 1 33 33 LEU HB2 H 1 1.498 0.000 . 2 . . . . . . . . 7095 1 275 . 1 1 33 33 LEU HB3 H 1 1.161 0.000 . 2 . . . . . . . . 7095 1 276 . 1 1 33 33 LEU HG H 1 1.540 0.000 . 1 . . . . . . . . 7095 1 277 . 1 1 33 33 LEU HD11 H 1 0.737 0.000 . 2 . . . . . . . . 7095 1 278 . 1 1 33 33 LEU HD12 H 1 0.737 0.000 . 2 . . . . . . . . 7095 1 279 . 1 1 33 33 LEU HD13 H 1 0.737 0.000 . 2 . . . . . . . . 7095 1 280 . 1 1 33 33 LEU HD21 H 1 0.786 0.000 . 2 . . . . . . . . 7095 1 281 . 1 1 33 33 LEU HD22 H 1 0.786 0.000 . 2 . . . . . . . . 7095 1 282 . 1 1 33 33 LEU HD23 H 1 0.786 0.000 . 2 . . . . . . . . 7095 1 283 . 1 1 33 33 LEU C C 13 176.514 0.000 . 1 . . . . . . . . 7095 1 284 . 1 1 33 33 LEU CA C 13 54.351 0.000 . 1 . . . . . . . . 7095 1 285 . 1 1 33 33 LEU CB C 13 44.133 0.000 . 1 . . . . . . . . 7095 1 286 . 1 1 33 33 LEU CG C 13 26.977 0.000 . 1 . . . . . . . . 7095 1 287 . 1 1 33 33 LEU CD1 C 13 25.035 0.000 . 1 . . . . . . . . 7095 1 288 . 1 1 33 33 LEU CD2 C 13 25.682 0.000 . 1 . . . . . . . . 7095 1 289 . 1 1 33 33 LEU N N 15 121.408 0.000 . 1 . . . . . . . . 7095 1 290 . 1 1 34 34 PHE H H 1 9.135 0.001 . 1 . . . . . . . . 7095 1 291 . 1 1 34 34 PHE HA H 1 4.784 0.000 . 1 . . . . . . . . 7095 1 292 . 1 1 34 34 PHE HB2 H 1 2.192 0.000 . 2 . . . . . . . . 7095 1 293 . 1 1 34 34 PHE HB3 H 1 3.653 0.000 . 2 . . . . . . . . 7095 1 294 . 1 1 34 34 PHE HD1 H 1 7.214 0.000 . 1 . . . . . . . . 7095 1 295 . 1 1 34 34 PHE HD2 H 1 7.214 0.000 . 1 . . . . . . . . 7095 1 296 . 1 1 34 34 PHE HE1 H 1 6.813 0.002 . 1 . . . . . . . . 7095 1 297 . 1 1 34 34 PHE HE2 H 1 6.813 0.002 . 1 . . . . . . . . 7095 1 298 . 1 1 34 34 PHE HZ H 1 6.701 0.000 . 1 . . . . . . . . 7095 1 299 . 1 1 34 34 PHE C C 13 173.408 0.000 . 1 . . . . . . . . 7095 1 300 . 1 1 34 34 PHE CA C 13 57.932 0.000 . 1 . . . . . . . . 7095 1 301 . 1 1 34 34 PHE CB C 13 45.271 0.000 . 1 . . . . . . . . 7095 1 302 . 1 1 34 34 PHE CD1 C 13 132.632 0.000 . 1 . . . . . . . . 7095 1 303 . 1 1 34 34 PHE CE1 C 13 131.337 0.000 . 1 . . . . . . . . 7095 1 304 . 1 1 34 34 PHE CZ C 13 128.100 0.000 . 1 . . . . . . . . 7095 1 305 . 1 1 34 34 PHE N N 15 121.356 0.000 . 1 . . . . . . . . 7095 1 306 . 1 1 35 35 SER H H 1 9.155 0.001 . 1 . . . . . . . . 7095 1 307 . 1 1 35 35 SER HA H 1 5.199 0.000 . 1 . . . . . . . . 7095 1 308 . 1 1 35 35 SER HB2 H 1 4.087 0.000 . 2 . . . . . . . . 7095 1 309 . 1 1 35 35 SER HB3 H 1 3.838 0.000 . 2 . . . . . . . . 7095 1 310 . 1 1 35 35 SER CA C 13 55.786 0.000 . 1 . . . . . . . . 7095 1 311 . 1 1 35 35 SER CB C 13 64.826 0.000 . 1 . . . . . . . . 7095 1 312 . 1 1 35 35 SER N N 15 116.816 0.000 . 1 . . . . . . . . 7095 1 313 . 1 1 36 36 PRO HA H 1 4.161 0.000 . 1 . . . . . . . . 7095 1 314 . 1 1 36 36 PRO HB2 H 1 2.095 0.000 . 2 . . . . . . . . 7095 1 315 . 1 1 36 36 PRO HB3 H 1 2.002 0.000 . 2 . . . . . . . . 7095 1 316 . 1 1 36 36 PRO HG2 H 1 1.830 0.000 . 2 . . . . . . . . 7095 1 317 . 1 1 36 36 PRO HG3 H 1 1.932 0.002 . 2 . . . . . . . . 7095 1 318 . 1 1 36 36 PRO HD2 H 1 4.047 0.001 . 2 . . . . . . . . 7095 1 319 . 1 1 36 36 PRO HD3 H 1 3.588 0.000 . 2 . . . . . . . . 7095 1 320 . 1 1 36 36 PRO C C 13 176.592 0.000 . 1 . . . . . . . . 7095 1 321 . 1 1 36 36 PRO CA C 13 64.438 0.000 . 1 . . . . . . . . 7095 1 322 . 1 1 36 36 PRO CB C 13 31.801 0.033 . 1 . . . . . . . . 7095 1 323 . 1 1 36 36 PRO CG C 13 28.272 0.000 . 1 . . . . . . . . 7095 1 324 . 1 1 36 36 PRO CD C 13 50.931 0.000 . 1 . . . . . . . . 7095 1 325 . 1 1 37 37 ASN H H 1 8.040 0.001 . 1 . . . . . . . . 7095 1 326 . 1 1 37 37 ASN HA H 1 4.627 0.000 . 1 . . . . . . . . 7095 1 327 . 1 1 37 37 ASN HB2 H 1 2.911 0.000 . 2 . . . . . . . . 7095 1 328 . 1 1 37 37 ASN HB3 H 1 2.630 0.000 . 2 . . . . . . . . 7095 1 329 . 1 1 37 37 ASN C C 13 174.954 0.000 . 1 . . . . . . . . 7095 1 330 . 1 1 37 37 ASN CA C 13 53.646 0.000 . 1 . . . . . . . . 7095 1 331 . 1 1 37 37 ASN CB C 13 39.033 0.000 . 1 . . . . . . . . 7095 1 332 . 1 1 37 37 ASN N N 15 112.990 0.000 . 1 . . . . . . . . 7095 1 333 . 1 1 38 38 ASP H H 1 7.704 0.001 . 1 . . . . . . . . 7095 1 334 . 1 1 38 38 ASP HA H 1 4.771 0.000 . 1 . . . . . . . . 7095 1 335 . 1 1 38 38 ASP HB2 H 1 2.853 0.000 . 2 . . . . . . . . 7095 1 336 . 1 1 38 38 ASP HB3 H 1 2.293 0.000 . 2 . . . . . . . . 7095 1 337 . 1 1 38 38 ASP C C 13 174.944 0.000 . 1 . . . . . . . . 7095 1 338 . 1 1 38 38 ASP CA C 13 55.915 0.000 . 1 . . . . . . . . 7095 1 339 . 1 1 38 38 ASP CB C 13 41.380 0.000 . 1 . . . . . . . . 7095 1 340 . 1 1 38 38 ASP N N 15 121.333 0.000 . 1 . . . . . . . . 7095 1 341 . 1 1 39 39 SER H H 1 9.094 0.001 . 1 . . . . . . . . 7095 1 342 . 1 1 39 39 SER HA H 1 4.363 0.000 . 1 . . . . . . . . 7095 1 343 . 1 1 39 39 SER HB2 H 1 3.959 0.000 . 2 . . . . . . . . 7095 1 344 . 1 1 39 39 SER HB3 H 1 3.422 0.000 . 2 . . . . . . . . 7095 1 345 . 1 1 39 39 SER C C 13 175.626 0.000 . 1 . . . . . . . . 7095 1 346 . 1 1 39 39 SER CA C 13 55.463 0.000 . 1 . . . . . . . . 7095 1 347 . 1 1 39 39 SER CB C 13 65.150 0.000 . 1 . . . . . . . . 7095 1 348 . 1 1 39 39 SER N N 15 117.732 0.000 . 1 . . . . . . . . 7095 1 349 . 1 1 40 40 ALA H H 1 8.397 0.000 . 1 . . . . . . . . 7095 1 350 . 1 1 40 40 ALA HA H 1 3.841 0.000 . 1 . . . . . . . . 7095 1 351 . 1 1 40 40 ALA HB1 H 1 1.440 0.000 . 1 . . . . . . . . 7095 1 352 . 1 1 40 40 ALA HB2 H 1 1.440 0.000 . 1 . . . . . . . . 7095 1 353 . 1 1 40 40 ALA HB3 H 1 1.440 0.000 . 1 . . . . . . . . 7095 1 354 . 1 1 40 40 ALA C C 13 180.523 0.000 . 1 . . . . . . . . 7095 1 355 . 1 1 40 40 ALA CA C 13 55.932 0.000 . 1 . . . . . . . . 7095 1 356 . 1 1 40 40 ALA CB C 13 18.438 0.000 . 1 . . . . . . . . 7095 1 357 . 1 1 40 40 ALA N N 15 122.486 0.000 . 1 . . . . . . . . 7095 1 358 . 1 1 41 41 SER H H 1 9.143 0.001 . 1 . . . . . . . . 7095 1 359 . 1 1 41 41 SER HA H 1 5.132 0.000 . 1 . . . . . . . . 7095 1 360 . 1 1 41 41 SER HB2 H 1 4.347 0.000 . 2 . . . . . . . . 7095 1 361 . 1 1 41 41 SER HB3 H 1 3.763 0.000 . 2 . . . . . . . . 7095 1 362 . 1 1 41 41 SER C C 13 177.045 0.000 . 1 . . . . . . . . 7095 1 363 . 1 1 41 41 SER CA C 13 56.110 0.000 . 1 . . . . . . . . 7095 1 364 . 1 1 41 41 SER CB C 13 67.092 0.000 . 1 . . . . . . . . 7095 1 365 . 1 1 41 41 SER N N 15 115.561 0.000 . 1 . . . . . . . . 7095 1 366 . 1 1 42 42 ASP H H 1 7.888 0.001 . 1 . . . . . . . . 7095 1 367 . 1 1 42 42 ASP HA H 1 4.304 0.000 . 1 . . . . . . . . 7095 1 368 . 1 1 42 42 ASP HB2 H 1 3.155 0.000 . 2 . . . . . . . . 7095 1 369 . 1 1 42 42 ASP HB3 H 1 2.673 0.001 . 2 . . . . . . . . 7095 1 370 . 1 1 42 42 ASP C C 13 175.534 1.974 . 1 . . . . . . . . 7095 1 371 . 1 1 42 42 ASP CA C 13 57.827 0.000 . 1 . . . . . . . . 7095 1 372 . 1 1 42 42 ASP CB C 13 40.573 0.003 . 1 . . . . . . . . 7095 1 373 . 1 1 42 42 ASP N N 15 124.622 0.000 . 1 . . . . . . . . 7095 1 374 . 1 1 43 43 ILE H H 1 8.515 0.000 . 1 . . . . . . . . 7095 1 375 . 1 1 43 43 ILE HA H 1 3.171 0.000 . 1 . . . . . . . . 7095 1 376 . 1 1 43 43 ILE HB H 1 1.527 0.000 . 1 . . . . . . . . 7095 1 377 . 1 1 43 43 ILE HG12 H 1 -0.989 0.008 . 2 . . . . . . . . 7095 1 378 . 1 1 43 43 ILE HG13 H 1 0.959 0.000 . 2 . . . . . . . . 7095 1 379 . 1 1 43 43 ILE HG21 H 1 0.341 0.000 . 1 . . . . . . . . 7095 1 380 . 1 1 43 43 ILE HG22 H 1 0.341 0.000 . 1 . . . . . . . . 7095 1 381 . 1 1 43 43 ILE HG23 H 1 0.341 0.000 . 1 . . . . . . . . 7095 1 382 . 1 1 43 43 ILE HD11 H 1 0.133 0.000 . 1 . . . . . . . . 7095 1 383 . 1 1 43 43 ILE HD12 H 1 0.133 0.000 . 1 . . . . . . . . 7095 1 384 . 1 1 43 43 ILE HD13 H 1 0.133 0.000 . 1 . . . . . . . . 7095 1 385 . 1 1 43 43 ILE C C 13 177.134 0.000 . 1 . . . . . . . . 7095 1 386 . 1 1 43 43 ILE CA C 13 65.196 0.000 . 1 . . . . . . . . 7095 1 387 . 1 1 43 43 ILE CB C 13 37.948 0.000 . 1 . . . . . . . . 7095 1 388 . 1 1 43 43 ILE CG1 C 13 27.624 0.000 . 1 . . . . . . . . 7095 1 389 . 1 1 43 43 ILE CG2 C 13 16.318 0.000 . 1 . . . . . . . . 7095 1 390 . 1 1 43 43 ILE CD1 C 13 14.053 0.000 . 1 . . . . . . . . 7095 1 391 . 1 1 43 43 ILE N N 15 122.979 0.843 . 1 . . . . . . . . 7095 1 392 . 1 1 44 44 ALA H H 1 7.839 0.000 . 1 . . . . . . . . 7095 1 393 . 1 1 44 44 ALA HA H 1 3.741 0.000 . 1 . . . . . . . . 7095 1 394 . 1 1 44 44 ALA HB1 H 1 1.478 0.000 . 1 . . . . . . . . 7095 1 395 . 1 1 44 44 ALA HB2 H 1 1.478 0.000 . 1 . . . . . . . . 7095 1 396 . 1 1 44 44 ALA HB3 H 1 1.478 0.000 . 1 . . . . . . . . 7095 1 397 . 1 1 44 44 ALA C C 13 178.893 0.000 . 1 . . . . . . . . 7095 1 398 . 1 1 44 44 ALA CA C 13 56.065 0.000 . 1 . . . . . . . . 7095 1 399 . 1 1 44 44 ALA CB C 13 18.720 0.000 . 1 . . . . . . . . 7095 1 400 . 1 1 44 44 ALA N N 15 121.231 0.000 . 1 . . . . . . . . 7095 1 401 . 1 1 45 45 LYS H H 1 7.735 0.001 . 1 . . . . . . . . 7095 1 402 . 1 1 45 45 LYS HA H 1 3.847 0.000 . 1 . . . . . . . . 7095 1 403 . 1 1 45 45 LYS HB2 H 1 1.981 0.000 . 2 . . . . . . . . 7095 1 404 . 1 1 45 45 LYS HB3 H 1 1.840 0.000 . 2 . . . . . . . . 7095 1 405 . 1 1 45 45 LYS HG2 H 1 1.451 0.000 . 1 . . . . . . . . 7095 1 406 . 1 1 45 45 LYS HG3 H 1 1.451 0.000 . 1 . . . . . . . . 7095 1 407 . 1 1 45 45 LYS HD2 H 1 1.407 0.000 . 1 . . . . . . . . 7095 1 408 . 1 1 45 45 LYS HD3 H 1 1.407 0.000 . 1 . . . . . . . . 7095 1 409 . 1 1 45 45 LYS HE2 H 1 3.012 0.000 . 2 . . . . . . . . 7095 1 410 . 1 1 45 45 LYS HE3 H 1 2.967 0.002 . 2 . . . . . . . . 7095 1 411 . 1 1 45 45 LYS C C 13 177.538 0.000 . 1 . . . . . . . . 7095 1 412 . 1 1 45 45 LYS CA C 13 60.001 0.000 . 1 . . . . . . . . 7095 1 413 . 1 1 45 45 LYS CB C 13 32.868 0.062 . 1 . . . . . . . . 7095 1 414 . 1 1 45 45 LYS CG C 13 25.358 0.000 . 1 . . . . . . . . 7095 1 415 . 1 1 45 45 LYS CD C 13 26.006 0.000 . 1 . . . . . . . . 7095 1 416 . 1 1 45 45 LYS CE C 13 42.514 0.000 . 1 . . . . . . . . 7095 1 417 . 1 1 45 45 LYS N N 15 115.955 0.000 . 1 . . . . . . . . 7095 1 418 . 1 1 46 46 HIS H H 1 8.460 0.001 . 1 . . . . . . . . 7095 1 419 . 1 1 46 46 HIS HA H 1 4.330 0.000 . 1 . . . . . . . . 7095 1 420 . 1 1 46 46 HIS HB2 H 1 3.500 0.000 . 2 . . . . . . . . 7095 1 421 . 1 1 46 46 HIS HB3 H 1 3.441 0.000 . 2 . . . . . . . . 7095 1 422 . 1 1 46 46 HIS HD2 H 1 6.614 0.000 . 1 . . . . . . . . 7095 1 423 . 1 1 46 46 HIS HE1 H 1 8.537 0.001 . 1 . . . . . . . . 7095 1 424 . 1 1 46 46 HIS C C 13 178.402 0.000 . 1 . . . . . . . . 7095 1 425 . 1 1 46 46 HIS CA C 13 60.223 0.000 . 1 . . . . . . . . 7095 1 426 . 1 1 46 46 HIS CB C 13 29.332 0.080 . 1 . . . . . . . . 7095 1 427 . 1 1 46 46 HIS CD2 C 13 119.701 0.000 . 1 . . . . . . . . 7095 1 428 . 1 1 46 46 HIS CE1 C 13 138.329 0.000 . 1 . . . . . . . . 7095 1 429 . 1 1 46 46 HIS N N 15 117.214 0.000 . 1 . . . . . . . . 7095 1 430 . 1 1 47 47 VAL H H 1 8.843 0.001 . 1 . . . . . . . . 7095 1 431 . 1 1 47 47 VAL HA H 1 3.296 0.000 . 1 . . . . . . . . 7095 1 432 . 1 1 47 47 VAL HB H 1 2.049 0.000 . 1 . . . . . . . . 7095 1 433 . 1 1 47 47 VAL HG11 H 1 0.545 0.000 . 2 . . . . . . . . 7095 1 434 . 1 1 47 47 VAL HG12 H 1 0.545 0.000 . 2 . . . . . . . . 7095 1 435 . 1 1 47 47 VAL HG13 H 1 0.545 0.000 . 2 . . . . . . . . 7095 1 436 . 1 1 47 47 VAL HG21 H 1 0.970 0.000 . 2 . . . . . . . . 7095 1 437 . 1 1 47 47 VAL HG22 H 1 0.970 0.000 . 2 . . . . . . . . 7095 1 438 . 1 1 47 47 VAL HG23 H 1 0.970 0.000 . 2 . . . . . . . . 7095 1 439 . 1 1 47 47 VAL C C 13 177.333 0.000 . 1 . . . . . . . . 7095 1 440 . 1 1 47 47 VAL CA C 13 67.116 0.000 . 1 . . . . . . . . 7095 1 441 . 1 1 47 47 VAL CB C 13 31.832 0.000 . 1 . . . . . . . . 7095 1 442 . 1 1 47 47 VAL CG1 C 13 22.469 0.000 . 1 . . . . . . . . 7095 1 443 . 1 1 47 47 VAL CG2 C 13 22.145 0.000 . 1 . . . . . . . . 7095 1 444 . 1 1 47 47 VAL N N 15 119.403 0.000 . 1 . . . . . . . . 7095 1 445 . 1 1 48 48 TYR H H 1 8.348 0.006 . 1 . . . . . . . . 7095 1 446 . 1 1 48 48 TYR HD1 H 1 6.830 0.000 . 1 . . . . . . . . 7095 1 447 . 1 1 48 48 TYR HD2 H 1 6.830 0.000 . 1 . . . . . . . . 7095 1 448 . 1 1 48 48 TYR HE1 H 1 6.571 0.000 . 1 . . . . . . . . 7095 1 449 . 1 1 48 48 TYR HE2 H 1 6.571 0.000 . 1 . . . . . . . . 7095 1 450 . 1 1 48 48 TYR CD1 C 13 133.279 0.000 . 1 . . . . . . . . 7095 1 451 . 1 1 48 48 TYR CE1 C 13 118.649 0.000 . 1 . . . . . . . . 7095 1 452 . 1 1 48 48 TYR N N 15 119.850 0.000 . 1 . . . . . . . . 7095 1 453 . 1 1 52 52 PRO HA H 1 3.817 0.000 . 1 . . . . . . . . 7095 1 454 . 1 1 52 52 PRO HB2 H 1 1.772 0.000 . 1 . . . . . . . . 7095 1 455 . 1 1 52 52 PRO HB3 H 1 1.772 0.000 . 1 . . . . . . . . 7095 1 456 . 1 1 52 52 PRO HG2 H 1 1.692 0.000 . 2 . . . . . . . . 7095 1 457 . 1 1 52 52 PRO HG3 H 1 1.900 0.000 . 2 . . . . . . . . 7095 1 458 . 1 1 52 52 PRO HD2 H 1 1.910 0.000 . 2 . . . . . . . . 7095 1 459 . 1 1 52 52 PRO HD3 H 1 3.481 0.000 . 2 . . . . . . . . 7095 1 460 . 1 1 52 52 PRO CA C 13 64.179 0.000 . 1 . . . . . . . . 7095 1 461 . 1 1 52 52 PRO CB C 13 30.861 0.000 . 1 . . . . . . . . 7095 1 462 . 1 1 52 52 PRO CG C 13 26.329 0.000 . 1 . . . . . . . . 7095 1 463 . 1 1 52 52 PRO CD C 13 49.636 0.000 . 1 . . . . . . . . 7095 1 464 . 1 1 57 57 GLU C C 13 174.314 0.000 . 1 . . . . . . . . 7095 1 465 . 1 1 58 58 GLU H H 1 8.463 0.000 . 1 . . . . . . . . 7095 1 466 . 1 1 58 58 GLU HA H 1 4.343 0.000 . 1 . . . . . . . . 7095 1 467 . 1 1 58 58 GLU HB2 H 1 2.055 0.000 . 2 . . . . . . . . 7095 1 468 . 1 1 58 58 GLU HB3 H 1 1.908 0.000 . 2 . . . . . . . . 7095 1 469 . 1 1 58 58 GLU HG2 H 1 2.221 0.000 . 1 . . . . . . . . 7095 1 470 . 1 1 58 58 GLU HG3 H 1 2.221 0.000 . 1 . . . . . . . . 7095 1 471 . 1 1 58 58 GLU C C 13 176.204 0.484 . 1 . . . . . . . . 7095 1 472 . 1 1 58 58 GLU CA C 13 56.694 0.000 . 1 . . . . . . . . 7095 1 473 . 1 1 58 58 GLU CB C 13 30.118 0.000 . 1 . . . . . . . . 7095 1 474 . 1 1 58 58 GLU CG C 13 35.957 0.000 . 1 . . . . . . . . 7095 1 475 . 1 1 58 58 GLU N N 15 121.118 0.000 . 1 . . . . . . . . 7095 1 476 . 1 1 59 59 GLN HA H 1 4.494 0.000 . 1 . . . . . . . . 7095 1 477 . 1 1 59 59 GLN HB2 H 1 2.886 0.000 . 1 . . . . . . . . 7095 1 478 . 1 1 59 59 GLN HB3 H 1 2.886 0.000 . 1 . . . . . . . . 7095 1 479 . 1 1 59 59 GLN C C 13 173.767 0.000 . 1 . . . . . . . . 7095 1 480 . 1 1 59 59 GLN CA C 13 58.661 0.000 . 1 . . . . . . . . 7095 1 481 . 1 1 59 59 GLN CB C 13 28.137 0.000 . 1 . . . . . . . . 7095 1 482 . 1 1 60 60 VAL H H 1 7.994 0.002 . 1 . . . . . . . . 7095 1 483 . 1 1 60 60 VAL HA H 1 4.240 0.000 . 1 . . . . . . . . 7095 1 484 . 1 1 60 60 VAL HG21 H 1 1.418 0.328 . 2 . . . . . . . . 7095 1 485 . 1 1 60 60 VAL HG22 H 1 1.418 0.328 . 2 . . . . . . . . 7095 1 486 . 1 1 60 60 VAL HG23 H 1 1.418 0.328 . 2 . . . . . . . . 7095 1 487 . 1 1 60 60 VAL C C 13 174.689 0.000 . 1 . . . . . . . . 7095 1 488 . 1 1 60 60 VAL CA C 13 61.937 0.000 . 1 . . . . . . . . 7095 1 489 . 1 1 60 60 VAL CG2 C 13 19.555 0.000 . 1 . . . . . . . . 7095 1 490 . 1 1 60 60 VAL N N 15 125.116 0.000 . 1 . . . . . . . . 7095 1 491 . 1 1 61 61 SER H H 1 7.004 0.000 . 1 . . . . . . . . 7095 1 492 . 1 1 61 61 SER N N 15 113.659 0.000 . 1 . . . . . . . . 7095 1 493 . 1 1 63 63 PRO HA H 1 4.360 0.000 . 1 . . . . . . . . 7095 1 494 . 1 1 63 63 PRO HB2 H 1 2.188 0.000 . 2 . . . . . . . . 7095 1 495 . 1 1 63 63 PRO HB3 H 1 2.243 0.000 . 2 . . . . . . . . 7095 1 496 . 1 1 63 63 PRO HG2 H 1 1.993 0.000 . 2 . . . . . . . . 7095 1 497 . 1 1 63 63 PRO HG3 H 1 1.978 0.000 . 2 . . . . . . . . 7095 1 498 . 1 1 63 63 PRO HD2 H 1 3.676 0.000 . 2 . . . . . . . . 7095 1 499 . 1 1 63 63 PRO HD3 H 1 3.765 0.000 . 2 . . . . . . . . 7095 1 500 . 1 1 63 63 PRO CA C 13 63.879 0.000 . 1 . . . . . . . . 7095 1 501 . 1 1 63 63 PRO CB C 13 32.156 0.000 . 1 . . . . . . . . 7095 1 502 . 1 1 63 63 PRO CG C 13 27.948 0.000 . 1 . . . . . . . . 7095 1 503 . 1 1 63 63 PRO CD C 13 50.931 0.000 . 1 . . . . . . . . 7095 1 504 . 1 1 64 64 ASN H H 1 7.778 0.002 . 1 . . . . . . . . 7095 1 505 . 1 1 64 64 ASN N N 15 114.203 0.000 . 1 . . . . . . . . 7095 1 506 . 1 1 65 65 ILE H H 1 6.877 0.000 . 1 . . . . . . . . 7095 1 507 . 1 1 65 65 ILE HA H 1 4.112 0.000 . 1 . . . . . . . . 7095 1 508 . 1 1 65 65 ILE HB H 1 1.976 0.000 . 1 . . . . . . . . 7095 1 509 . 1 1 65 65 ILE HG12 H 1 1.325 0.000 . 1 . . . . . . . . 7095 1 510 . 1 1 65 65 ILE HG13 H 1 1.325 0.000 . 1 . . . . . . . . 7095 1 511 . 1 1 65 65 ILE HG21 H 1 0.902 0.002 . 1 . . . . . . . . 7095 1 512 . 1 1 65 65 ILE HG22 H 1 0.902 0.002 . 1 . . . . . . . . 7095 1 513 . 1 1 65 65 ILE HG23 H 1 0.902 0.002 . 1 . . . . . . . . 7095 1 514 . 1 1 65 65 ILE HD11 H 1 0.869 0.000 . 1 . . . . . . . . 7095 1 515 . 1 1 65 65 ILE HD12 H 1 0.869 0.000 . 1 . . . . . . . . 7095 1 516 . 1 1 65 65 ILE HD13 H 1 0.869 0.000 . 1 . . . . . . . . 7095 1 517 . 1 1 65 65 ILE CA C 13 60.874 0.000 . 1 . . . . . . . . 7095 1 518 . 1 1 65 65 ILE CB C 13 38.630 0.000 . 1 . . . . . . . . 7095 1 519 . 1 1 65 65 ILE CG1 C 13 27.171 0.000 . 1 . . . . . . . . 7095 1 520 . 1 1 65 65 ILE CG2 C 13 18.584 0.000 . 1 . . . . . . . . 7095 1 521 . 1 1 65 65 ILE CD1 C 13 14.053 0.000 . 1 . . . . . . . . 7095 1 522 . 1 1 65 65 ILE N N 15 113.424 0.000 . 1 . . . . . . . . 7095 1 523 . 1 1 66 66 LEU H H 1 7.071 0.001 . 1 . . . . . . . . 7095 1 524 . 1 1 66 66 LEU HA H 1 4.744 0.000 . 1 . . . . . . . . 7095 1 525 . 1 1 66 66 LEU HB2 H 1 2.111 0.000 . 2 . . . . . . . . 7095 1 526 . 1 1 66 66 LEU HB3 H 1 1.281 0.000 . 2 . . . . . . . . 7095 1 527 . 1 1 66 66 LEU HG H 1 1.181 0.000 . 1 . . . . . . . . 7095 1 528 . 1 1 66 66 LEU HD11 H 1 0.958 0.000 . 2 . . . . . . . . 7095 1 529 . 1 1 66 66 LEU HD12 H 1 0.958 0.000 . 2 . . . . . . . . 7095 1 530 . 1 1 66 66 LEU HD13 H 1 0.958 0.000 . 2 . . . . . . . . 7095 1 531 . 1 1 66 66 LEU C C 13 176.549 0.000 . 1 . . . . . . . . 7095 1 532 . 1 1 66 66 LEU CA C 13 54.828 0.000 . 1 . . . . . . . . 7095 1 533 . 1 1 66 66 LEU CB C 13 43.162 0.000 . 1 . . . . . . . . 7095 1 534 . 1 1 66 66 LEU CG C 13 26.432 0.000 . 1 . . . . . . . . 7095 1 535 . 1 1 66 66 LEU CD1 C 13 23.416 0.000 . 1 . . . . . . . . 7095 1 536 . 1 1 66 66 LEU N N 15 120.102 0.000 . 1 . . . . . . . . 7095 1 537 . 1 1 67 67 ARG H H 1 9.135 0.001 . 1 . . . . . . . . 7095 1 538 . 1 1 67 67 ARG HA H 1 4.725 0.000 . 1 . . . . . . . . 7095 1 539 . 1 1 67 67 ARG HB2 H 1 1.787 0.000 . 1 . . . . . . . . 7095 1 540 . 1 1 67 67 ARG HB3 H 1 1.787 0.000 . 1 . . . . . . . . 7095 1 541 . 1 1 67 67 ARG HG2 H 1 1.644 0.000 . 1 . . . . . . . . 7095 1 542 . 1 1 67 67 ARG HG3 H 1 1.644 0.000 . 1 . . . . . . . . 7095 1 543 . 1 1 67 67 ARG HD2 H 1 2.997 0.000 . 1 . . . . . . . . 7095 1 544 . 1 1 67 67 ARG HD3 H 1 2.997 0.000 . 1 . . . . . . . . 7095 1 545 . 1 1 67 67 ARG C C 13 174.435 0.000 . 1 . . . . . . . . 7095 1 546 . 1 1 67 67 ARG CA C 13 53.116 0.000 . 1 . . . . . . . . 7095 1 547 . 1 1 67 67 ARG CB C 13 33.643 0.000 . 1 . . . . . . . . 7095 1 548 . 1 1 67 67 ARG CG C 13 26.494 0.000 . 1 . . . . . . . . 7095 1 549 . 1 1 67 67 ARG CD C 13 43.020 0.000 . 1 . . . . . . . . 7095 1 550 . 1 1 67 67 ARG N N 15 120.439 0.000 . 1 . . . . . . . . 7095 1 551 . 1 1 68 68 LEU H H 1 9.176 0.001 . 1 . . . . . . . . 7095 1 552 . 1 1 68 68 LEU HA H 1 5.149 0.000 . 1 . . . . . . . . 7095 1 553 . 1 1 68 68 LEU HB2 H 1 1.508 0.000 . 2 . . . . . . . . 7095 1 554 . 1 1 68 68 LEU HB3 H 1 1.684 0.000 . 2 . . . . . . . . 7095 1 555 . 1 1 68 68 LEU HG H 1 1.541 0.000 . 1 . . . . . . . . 7095 1 556 . 1 1 68 68 LEU HD11 H 1 0.801 0.000 . 2 . . . . . . . . 7095 1 557 . 1 1 68 68 LEU HD12 H 1 0.801 0.000 . 2 . . . . . . . . 7095 1 558 . 1 1 68 68 LEU HD13 H 1 0.801 0.000 . 2 . . . . . . . . 7095 1 559 . 1 1 68 68 LEU HD21 H 1 0.995 0.000 . 2 . . . . . . . . 7095 1 560 . 1 1 68 68 LEU HD22 H 1 0.995 0.000 . 2 . . . . . . . . 7095 1 561 . 1 1 68 68 LEU HD23 H 1 0.995 0.000 . 2 . . . . . . . . 7095 1 562 . 1 1 68 68 LEU C C 13 176.114 0.000 . 1 . . . . . . . . 7095 1 563 . 1 1 68 68 LEU CA C 13 53.806 0.000 . 1 . . . . . . . . 7095 1 564 . 1 1 68 68 LEU CB C 13 45.104 0.000 . 1 . . . . . . . . 7095 1 565 . 1 1 68 68 LEU CG C 13 27.948 0.000 . 1 . . . . . . . . 7095 1 566 . 1 1 68 68 LEU CD1 C 13 25.682 0.000 . 1 . . . . . . . . 7095 1 567 . 1 1 68 68 LEU CD2 C 13 25.035 0.000 . 1 . . . . . . . . 7095 1 568 . 1 1 68 68 LEU N N 15 123.018 0.000 . 1 . . . . . . . . 7095 1 569 . 1 1 69 69 ILE H H 1 8.961 0.001 . 1 . . . . . . . . 7095 1 570 . 1 1 69 69 ILE HA H 1 4.656 0.000 . 1 . . . . . . . . 7095 1 571 . 1 1 69 69 ILE HB H 1 1.468 0.000 . 1 . . . . . . . . 7095 1 572 . 1 1 69 69 ILE HG12 H 1 0.055 0.000 . 2 . . . . . . . . 7095 1 573 . 1 1 69 69 ILE HG13 H 1 1.152 0.000 . 2 . . . . . . . . 7095 1 574 . 1 1 69 69 ILE HG21 H 1 0.431 0.000 . 1 . . . . . . . . 7095 1 575 . 1 1 69 69 ILE HG22 H 1 0.431 0.000 . 1 . . . . . . . . 7095 1 576 . 1 1 69 69 ILE HG23 H 1 0.431 0.000 . 1 . . . . . . . . 7095 1 577 . 1 1 69 69 ILE HD11 H 1 0.394 0.000 . 1 . . . . . . . . 7095 1 578 . 1 1 69 69 ILE HD12 H 1 0.394 0.000 . 1 . . . . . . . . 7095 1 579 . 1 1 69 69 ILE HD13 H 1 0.394 0.000 . 1 . . . . . . . . 7095 1 580 . 1 1 69 69 ILE C C 13 176.168 0.000 . 1 . . . . . . . . 7095 1 581 . 1 1 69 69 ILE CA C 13 60.062 0.000 . 1 . . . . . . . . 7095 1 582 . 1 1 69 69 ILE CB C 13 40.084 0.000 . 1 . . . . . . . . 7095 1 583 . 1 1 69 69 ILE CG1 C 13 27.300 0.000 . 1 . . . . . . . . 7095 1 584 . 1 1 69 69 ILE CG2 C 13 17.155 0.000 . 1 . . . . . . . . 7095 1 585 . 1 1 69 69 ILE CD1 C 13 14.082 0.000 . 1 . . . . . . . . 7095 1 586 . 1 1 69 69 ILE N N 15 120.302 0.000 . 1 . . . . . . . . 7095 1 587 . 1 1 70 70 TYR H H 1 8.896 0.001 . 1 . . . . . . . . 7095 1 588 . 1 1 70 70 TYR HA H 1 5.082 0.000 . 1 . . . . . . . . 7095 1 589 . 1 1 70 70 TYR HB2 H 1 3.208 0.000 . 2 . . . . . . . . 7095 1 590 . 1 1 70 70 TYR HB3 H 1 2.735 0.000 . 2 . . . . . . . . 7095 1 591 . 1 1 70 70 TYR HD1 H 1 7.205 0.000 . 1 . . . . . . . . 7095 1 592 . 1 1 70 70 TYR HD2 H 1 7.205 0.000 . 1 . . . . . . . . 7095 1 593 . 1 1 70 70 TYR HE1 H 1 6.831 0.000 . 1 . . . . . . . . 7095 1 594 . 1 1 70 70 TYR HE2 H 1 6.831 0.000 . 1 . . . . . . . . 7095 1 595 . 1 1 70 70 TYR C C 13 174.755 0.000 . 1 . . . . . . . . 7095 1 596 . 1 1 70 70 TYR CA C 13 56.254 0.000 . 1 . . . . . . . . 7095 1 597 . 1 1 70 70 TYR CB C 13 42.131 0.000 . 1 . . . . . . . . 7095 1 598 . 1 1 70 70 TYR CD1 C 13 133.279 0.000 . 1 . . . . . . . . 7095 1 599 . 1 1 70 70 TYR CE1 C 13 118.908 0.000 . 1 . . . . . . . . 7095 1 600 . 1 1 70 70 TYR N N 15 128.546 0.000 . 1 . . . . . . . . 7095 1 601 . 1 1 71 71 GLN H H 1 9.031 0.001 . 1 . . . . . . . . 7095 1 602 . 1 1 71 71 GLN HA H 1 3.593 0.000 . 1 . . . . . . . . 7095 1 603 . 1 1 71 71 GLN HB2 H 1 1.843 0.000 . 2 . . . . . . . . 7095 1 604 . 1 1 71 71 GLN HB3 H 1 1.592 0.000 . 2 . . . . . . . . 7095 1 605 . 1 1 71 71 GLN HG2 H 1 1.041 0.000 . 2 . . . . . . . . 7095 1 606 . 1 1 71 71 GLN HG3 H 1 1.566 0.000 . 2 . . . . . . . . 7095 1 607 . 1 1 71 71 GLN C C 13 176.359 0.000 . 1 . . . . . . . . 7095 1 608 . 1 1 71 71 GLN CA C 13 56.667 0.000 . 1 . . . . . . . . 7095 1 609 . 1 1 71 71 GLN CB C 13 26.029 0.000 . 1 . . . . . . . . 7095 1 610 . 1 1 71 71 GLN CG C 13 33.127 0.000 . 1 . . . . . . . . 7095 1 611 . 1 1 71 71 GLN N N 15 126.332 0.000 . 1 . . . . . . . . 7095 1 612 . 1 1 72 72 GLY H H 1 8.208 0.001 . 1 . . . . . . . . 7095 1 613 . 1 1 72 72 GLY HA2 H 1 3.951 0.000 . 2 . . . . . . . . 7095 1 614 . 1 1 72 72 GLY HA3 H 1 3.336 0.000 . 2 . . . . . . . . 7095 1 615 . 1 1 72 72 GLY C C 13 173.500 0.000 . 1 . . . . . . . . 7095 1 616 . 1 1 72 72 GLY CA C 13 45.717 0.000 . 1 . . . . . . . . 7095 1 617 . 1 1 72 72 GLY N N 15 127.738 0.000 . 1 . . . . . . . . 7095 1 618 . 1 1 73 73 ARG H H 1 7.648 0.001 . 1 . . . . . . . . 7095 1 619 . 1 1 73 73 ARG HA H 1 4.685 0.000 . 1 . . . . . . . . 7095 1 620 . 1 1 73 73 ARG HB2 H 1 1.808 0.000 . 1 . . . . . . . . 7095 1 621 . 1 1 73 73 ARG HB3 H 1 1.808 0.000 . 1 . . . . . . . . 7095 1 622 . 1 1 73 73 ARG HG2 H 1 1.590 0.000 . 1 . . . . . . . . 7095 1 623 . 1 1 73 73 ARG HG3 H 1 1.590 0.000 . 1 . . . . . . . . 7095 1 624 . 1 1 73 73 ARG HD2 H 1 3.188 0.000 . 1 . . . . . . . . 7095 1 625 . 1 1 73 73 ARG HD3 H 1 3.188 0.000 . 1 . . . . . . . . 7095 1 626 . 1 1 73 73 ARG HE H 1 7.184 0.002 . 1 . . . . . . . . 7095 1 627 . 1 1 73 73 ARG C C 13 175.060 0.000 . 1 . . . . . . . . 7095 1 628 . 1 1 73 73 ARG CA C 13 54.188 0.000 . 1 . . . . . . . . 7095 1 629 . 1 1 73 73 ARG CB C 13 33.313 0.000 . 1 . . . . . . . . 7095 1 630 . 1 1 73 73 ARG CG C 13 26.862 0.000 . 1 . . . . . . . . 7095 1 631 . 1 1 73 73 ARG CD C 13 43.978 0.000 . 1 . . . . . . . . 7095 1 632 . 1 1 73 73 ARG N N 15 119.834 0.000 . 1 . . . . . . . . 7095 1 633 . 1 1 73 73 ARG NE N 15 109.813 0.000 . 1 . . . . . . . . 7095 1 634 . 1 1 74 74 PHE H H 1 8.580 0.012 . 1 . . . . . . . . 7095 1 635 . 1 1 74 74 PHE HA H 1 4.916 0.000 . 1 . . . . . . . . 7095 1 636 . 1 1 74 74 PHE HB2 H 1 2.766 0.000 . 2 . . . . . . . . 7095 1 637 . 1 1 74 74 PHE HB3 H 1 2.930 0.000 . 2 . . . . . . . . 7095 1 638 . 1 1 74 74 PHE HD1 H 1 7.143 0.004 . 1 . . . . . . . . 7095 1 639 . 1 1 74 74 PHE HD2 H 1 7.143 0.004 . 1 . . . . . . . . 7095 1 640 . 1 1 74 74 PHE C C 13 177.459 0.000 . 1 . . . . . . . . 7095 1 641 . 1 1 74 74 PHE CA C 13 57.811 0.000 . 1 . . . . . . . . 7095 1 642 . 1 1 74 74 PHE CB C 13 39.919 0.005 . 1 . . . . . . . . 7095 1 643 . 1 1 74 74 PHE CD1 C 13 131.791 0.000 . 1 . . . . . . . . 7095 1 644 . 1 1 74 74 PHE N N 15 121.275 0.041 . 1 . . . . . . . . 7095 1 645 . 1 1 75 75 LEU H H 1 8.782 0.000 . 1 . . . . . . . . 7095 1 646 . 1 1 75 75 LEU HA H 1 4.525 0.000 . 1 . . . . . . . . 7095 1 647 . 1 1 75 75 LEU HB2 H 1 1.771 0.000 . 2 . . . . . . . . 7095 1 648 . 1 1 75 75 LEU HB3 H 1 1.302 0.000 . 2 . . . . . . . . 7095 1 649 . 1 1 75 75 LEU HG H 1 1.756 0.000 . 1 . . . . . . . . 7095 1 650 . 1 1 75 75 LEU HD11 H 1 0.947 0.000 . 2 . . . . . . . . 7095 1 651 . 1 1 75 75 LEU HD12 H 1 0.947 0.000 . 2 . . . . . . . . 7095 1 652 . 1 1 75 75 LEU HD13 H 1 0.947 0.000 . 2 . . . . . . . . 7095 1 653 . 1 1 75 75 LEU HD21 H 1 0.778 0.000 . 2 . . . . . . . . 7095 1 654 . 1 1 75 75 LEU HD22 H 1 0.778 0.000 . 2 . . . . . . . . 7095 1 655 . 1 1 75 75 LEU HD23 H 1 0.778 0.000 . 2 . . . . . . . . 7095 1 656 . 1 1 75 75 LEU C C 13 178.120 0.000 . 1 . . . . . . . . 7095 1 657 . 1 1 75 75 LEU CA C 13 54.538 0.000 . 1 . . . . . . . . 7095 1 658 . 1 1 75 75 LEU CB C 13 42.066 0.000 . 1 . . . . . . . . 7095 1 659 . 1 1 75 75 LEU CG C 13 26.997 0.000 . 1 . . . . . . . . 7095 1 660 . 1 1 75 75 LEU CD1 C 13 23.740 0.000 . 1 . . . . . . . . 7095 1 661 . 1 1 75 75 LEU CD2 C 13 26.002 0.000 . 1 . . . . . . . . 7095 1 662 . 1 1 75 75 LEU N N 15 124.000 0.000 . 1 . . . . . . . . 7095 1 663 . 1 1 76 76 HIS H H 1 8.679 0.001 . 1 . . . . . . . . 7095 1 664 . 1 1 76 76 HIS HA H 1 4.533 0.000 . 1 . . . . . . . . 7095 1 665 . 1 1 76 76 HIS HB2 H 1 3.158 0.000 . 2 . . . . . . . . 7095 1 666 . 1 1 76 76 HIS HB3 H 1 3.394 0.000 . 2 . . . . . . . . 7095 1 667 . 1 1 76 76 HIS HD2 H 1 7.310 0.000 . 1 . . . . . . . . 7095 1 668 . 1 1 76 76 HIS C C 13 176.072 0.000 . 1 . . . . . . . . 7095 1 669 . 1 1 76 76 HIS CA C 13 56.351 0.000 . 1 . . . . . . . . 7095 1 670 . 1 1 76 76 HIS CB C 13 29.591 0.000 . 1 . . . . . . . . 7095 1 671 . 1 1 76 76 HIS CD2 C 13 119.574 0.000 . 1 . . . . . . . . 7095 1 672 . 1 1 76 76 HIS N N 15 123.345 0.000 . 1 . . . . . . . . 7095 1 673 . 1 1 77 77 GLY H H 1 8.563 0.001 . 1 . . . . . . . . 7095 1 674 . 1 1 77 77 GLY HA2 H 1 3.917 0.000 . 2 . . . . . . . . 7095 1 675 . 1 1 77 77 GLY HA3 H 1 3.722 0.000 . 2 . . . . . . . . 7095 1 676 . 1 1 77 77 GLY C C 13 173.927 0.000 . 1 . . . . . . . . 7095 1 677 . 1 1 77 77 GLY CA C 13 47.986 0.000 . 1 . . . . . . . . 7095 1 678 . 1 1 77 77 GLY N N 15 107.795 0.000 . 1 . . . . . . . . 7095 1 679 . 1 1 78 78 ASN H H 1 8.190 0.001 . 1 . . . . . . . . 7095 1 680 . 1 1 78 78 ASN HA H 1 4.713 0.000 . 1 . . . . . . . . 7095 1 681 . 1 1 78 78 ASN HB2 H 1 3.014 0.000 . 2 . . . . . . . . 7095 1 682 . 1 1 78 78 ASN HB3 H 1 2.790 0.000 . 2 . . . . . . . . 7095 1 683 . 1 1 78 78 ASN C C 13 176.093 0.000 . 1 . . . . . . . . 7095 1 684 . 1 1 78 78 ASN CA C 13 53.146 0.000 . 1 . . . . . . . . 7095 1 685 . 1 1 78 78 ASN CB C 13 38.149 0.000 . 1 . . . . . . . . 7095 1 686 . 1 1 78 78 ASN N N 15 112.937 0.000 . 1 . . . . . . . . 7095 1 687 . 1 1 79 79 VAL H H 1 7.661 0.001 . 1 . . . . . . . . 7095 1 688 . 1 1 79 79 VAL HA H 1 3.958 0.000 . 1 . . . . . . . . 7095 1 689 . 1 1 79 79 VAL HB H 1 2.096 0.000 . 1 . . . . . . . . 7095 1 690 . 1 1 79 79 VAL HG11 H 1 1.113 0.000 . 2 . . . . . . . . 7095 1 691 . 1 1 79 79 VAL HG12 H 1 1.113 0.000 . 2 . . . . . . . . 7095 1 692 . 1 1 79 79 VAL HG13 H 1 1.113 0.000 . 2 . . . . . . . . 7095 1 693 . 1 1 79 79 VAL HG21 H 1 0.990 0.000 . 2 . . . . . . . . 7095 1 694 . 1 1 79 79 VAL HG22 H 1 0.990 0.000 . 2 . . . . . . . . 7095 1 695 . 1 1 79 79 VAL HG23 H 1 0.990 0.000 . 2 . . . . . . . . 7095 1 696 . 1 1 79 79 VAL C C 13 175.068 0.000 . 1 . . . . . . . . 7095 1 697 . 1 1 79 79 VAL CA C 13 63.738 0.000 . 1 . . . . . . . . 7095 1 698 . 1 1 79 79 VAL CB C 13 32.974 0.000 . 1 . . . . . . . . 7095 1 699 . 1 1 79 79 VAL CG1 C 13 23.839 0.000 . 1 . . . . . . . . 7095 1 700 . 1 1 79 79 VAL CG2 C 13 21.939 0.000 . 1 . . . . . . . . 7095 1 701 . 1 1 79 79 VAL N N 15 123.840 0.000 . 1 . . . . . . . . 7095 1 702 . 1 1 80 80 THR H H 1 7.444 0.001 . 1 . . . . . . . . 7095 1 703 . 1 1 80 80 THR HA H 1 5.063 0.000 . 1 . . . . . . . . 7095 1 704 . 1 1 80 80 THR HB H 1 4.527 0.000 . 1 . . . . . . . . 7095 1 705 . 1 1 80 80 THR HG21 H 1 1.063 0.000 . 1 . . . . . . . . 7095 1 706 . 1 1 80 80 THR HG22 H 1 1.063 0.000 . 1 . . . . . . . . 7095 1 707 . 1 1 80 80 THR HG23 H 1 1.063 0.000 . 1 . . . . . . . . 7095 1 708 . 1 1 80 80 THR C C 13 175.742 0.000 . 1 . . . . . . . . 7095 1 709 . 1 1 80 80 THR CA C 13 59.186 0.000 . 1 . . . . . . . . 7095 1 710 . 1 1 80 80 THR CB C 13 71.965 0.000 . 1 . . . . . . . . 7095 1 711 . 1 1 80 80 THR CG2 C 13 21.821 0.000 . 1 . . . . . . . . 7095 1 712 . 1 1 80 80 THR N N 15 114.684 0.000 . 1 . . . . . . . . 7095 1 713 . 1 1 81 81 LEU H H 1 7.805 0.001 . 1 . . . . . . . . 7095 1 714 . 1 1 81 81 LEU HA H 1 3.842 0.000 . 1 . . . . . . . . 7095 1 715 . 1 1 81 81 LEU HB2 H 1 1.915 0.000 . 2 . . . . . . . . 7095 1 716 . 1 1 81 81 LEU HB3 H 1 1.209 0.000 . 2 . . . . . . . . 7095 1 717 . 1 1 81 81 LEU HG H 1 1.757 0.000 . 1 . . . . . . . . 7095 1 718 . 1 1 81 81 LEU HD11 H 1 0.441 0.000 . 2 . . . . . . . . 7095 1 719 . 1 1 81 81 LEU HD12 H 1 0.441 0.000 . 2 . . . . . . . . 7095 1 720 . 1 1 81 81 LEU HD13 H 1 0.441 0.000 . 2 . . . . . . . . 7095 1 721 . 1 1 81 81 LEU HD21 H 1 0.737 0.000 . 2 . . . . . . . . 7095 1 722 . 1 1 81 81 LEU HD22 H 1 0.737 0.000 . 2 . . . . . . . . 7095 1 723 . 1 1 81 81 LEU HD23 H 1 0.737 0.000 . 2 . . . . . . . . 7095 1 724 . 1 1 81 81 LEU C C 13 180.687 0.000 . 1 . . . . . . . . 7095 1 725 . 1 1 81 81 LEU CA C 13 57.772 0.000 . 1 . . . . . . . . 7095 1 726 . 1 1 81 81 LEU CB C 13 41.309 0.000 . 1 . . . . . . . . 7095 1 727 . 1 1 81 81 LEU CG C 13 26.041 0.000 . 1 . . . . . . . . 7095 1 728 . 1 1 81 81 LEU CD1 C 13 20.850 0.000 . 1 . . . . . . . . 7095 1 729 . 1 1 81 81 LEU CD2 C 13 26.002 0.000 . 1 . . . . . . . . 7095 1 730 . 1 1 81 81 LEU N N 15 117.342 0.000 . 1 . . . . . . . . 7095 1 731 . 1 1 82 82 GLY H H 1 9.539 0.001 . 1 . . . . . . . . 7095 1 732 . 1 1 82 82 GLY HA2 H 1 3.915 0.000 . 1 . . . . . . . . 7095 1 733 . 1 1 82 82 GLY HA3 H 1 3.915 0.000 . 1 . . . . . . . . 7095 1 734 . 1 1 82 82 GLY C C 13 177.672 0.000 . 1 . . . . . . . . 7095 1 735 . 1 1 82 82 GLY CA C 13 46.721 0.000 . 1 . . . . . . . . 7095 1 736 . 1 1 82 82 GLY N N 15 106.804 0.000 . 1 . . . . . . . . 7095 1 737 . 1 1 83 83 ALA H H 1 7.861 0.001 . 1 . . . . . . . . 7095 1 738 . 1 1 83 83 ALA HA H 1 4.164 0.000 . 1 . . . . . . . . 7095 1 739 . 1 1 83 83 ALA HB1 H 1 1.528 0.000 . 1 . . . . . . . . 7095 1 740 . 1 1 83 83 ALA HB2 H 1 1.528 0.000 . 1 . . . . . . . . 7095 1 741 . 1 1 83 83 ALA HB3 H 1 1.528 0.000 . 1 . . . . . . . . 7095 1 742 . 1 1 83 83 ALA C C 13 179.970 0.000 . 1 . . . . . . . . 7095 1 743 . 1 1 83 83 ALA CA C 13 54.713 0.000 . 1 . . . . . . . . 7095 1 744 . 1 1 83 83 ALA CB C 13 18.431 0.000 . 1 . . . . . . . . 7095 1 745 . 1 1 83 83 ALA N N 15 126.305 0.000 . 1 . . . . . . . . 7095 1 746 . 1 1 84 84 LEU H H 1 7.271 0.001 . 1 . . . . . . . . 7095 1 747 . 1 1 84 84 LEU HA H 1 4.139 0.000 . 1 . . . . . . . . 7095 1 748 . 1 1 84 84 LEU HB2 H 1 1.805 0.000 . 2 . . . . . . . . 7095 1 749 . 1 1 84 84 LEU HB3 H 1 1.377 0.000 . 2 . . . . . . . . 7095 1 750 . 1 1 84 84 LEU HG H 1 1.760 0.000 . 1 . . . . . . . . 7095 1 751 . 1 1 84 84 LEU HD11 H 1 0.517 0.000 . 2 . . . . . . . . 7095 1 752 . 1 1 84 84 LEU HD12 H 1 0.517 0.000 . 2 . . . . . . . . 7095 1 753 . 1 1 84 84 LEU HD13 H 1 0.517 0.000 . 2 . . . . . . . . 7095 1 754 . 1 1 84 84 LEU HD21 H 1 0.807 0.000 . 2 . . . . . . . . 7095 1 755 . 1 1 84 84 LEU HD22 H 1 0.807 0.000 . 2 . . . . . . . . 7095 1 756 . 1 1 84 84 LEU HD23 H 1 0.807 0.000 . 2 . . . . . . . . 7095 1 757 . 1 1 84 84 LEU C C 13 176.194 0.000 . 1 . . . . . . . . 7095 1 758 . 1 1 84 84 LEU CA C 13 55.121 0.000 . 1 . . . . . . . . 7095 1 759 . 1 1 84 84 LEU CB C 13 42.730 0.000 . 1 . . . . . . . . 7095 1 760 . 1 1 84 84 LEU CG C 13 26.252 0.000 . 1 . . . . . . . . 7095 1 761 . 1 1 84 84 LEU CD1 C 13 26.252 0.000 . 1 . . . . . . . . 7095 1 762 . 1 1 84 84 LEU CD2 C 13 22.769 0.000 . 1 . . . . . . . . 7095 1 763 . 1 1 84 84 LEU N N 15 116.230 0.000 . 1 . . . . . . . . 7095 1 764 . 1 1 85 85 LYS H H 1 7.777 0.000 . 1 . . . . . . . . 7095 1 765 . 1 1 85 85 LYS HA H 1 3.832 0.000 . 1 . . . . . . . . 7095 1 766 . 1 1 85 85 LYS HB2 H 1 2.007 0.000 . 2 . . . . . . . . 7095 1 767 . 1 1 85 85 LYS HB3 H 1 1.829 0.000 . 2 . . . . . . . . 7095 1 768 . 1 1 85 85 LYS HG2 H 1 1.722 0.001 . 2 . . . . . . . . 7095 1 769 . 1 1 85 85 LYS HG3 H 1 1.626 0.000 . 2 . . . . . . . . 7095 1 770 . 1 1 85 85 LYS HD2 H 1 1.324 0.000 . 1 . . . . . . . . 7095 1 771 . 1 1 85 85 LYS HD3 H 1 1.324 0.000 . 1 . . . . . . . . 7095 1 772 . 1 1 85 85 LYS HE2 H 1 2.975 0.008 . 1 . . . . . . . . 7095 1 773 . 1 1 85 85 LYS HE3 H 1 2.975 0.008 . 1 . . . . . . . . 7095 1 774 . 1 1 85 85 LYS C C 13 176.210 0.000 . 1 . . . . . . . . 7095 1 775 . 1 1 85 85 LYS CA C 13 56.865 0.000 . 1 . . . . . . . . 7095 1 776 . 1 1 85 85 LYS CB C 13 28.749 0.000 . 1 . . . . . . . . 7095 1 777 . 1 1 85 85 LYS CG C 13 29.243 0.000 . 1 . . . . . . . . 7095 1 778 . 1 1 85 85 LYS CD C 13 25.035 0.000 . 1 . . . . . . . . 7095 1 779 . 1 1 85 85 LYS CE C 13 42.514 0.000 . 1 . . . . . . . . 7095 1 780 . 1 1 85 85 LYS N N 15 114.152 0.000 . 1 . . . . . . . . 7095 1 781 . 1 1 86 86 LEU H H 1 7.209 0.001 . 1 . . . . . . . . 7095 1 782 . 1 1 86 86 LEU HA H 1 4.247 0.000 . 1 . . . . . . . . 7095 1 783 . 1 1 86 86 LEU HB2 H 1 1.357 0.000 . 2 . . . . . . . . 7095 1 784 . 1 1 86 86 LEU HB3 H 1 1.273 0.000 . 2 . . . . . . . . 7095 1 785 . 1 1 86 86 LEU HG H 1 1.645 0.000 . 1 . . . . . . . . 7095 1 786 . 1 1 86 86 LEU HD11 H 1 0.654 0.000 . 2 . . . . . . . . 7095 1 787 . 1 1 86 86 LEU HD12 H 1 0.654 0.000 . 2 . . . . . . . . 7095 1 788 . 1 1 86 86 LEU HD13 H 1 0.654 0.000 . 2 . . . . . . . . 7095 1 789 . 1 1 86 86 LEU HD21 H 1 0.630 0.000 . 2 . . . . . . . . 7095 1 790 . 1 1 86 86 LEU HD22 H 1 0.630 0.000 . 2 . . . . . . . . 7095 1 791 . 1 1 86 86 LEU HD23 H 1 0.630 0.000 . 2 . . . . . . . . 7095 1 792 . 1 1 86 86 LEU CA C 13 53.197 0.000 . 1 . . . . . . . . 7095 1 793 . 1 1 86 86 LEU CB C 13 39.925 0.000 . 1 . . . . . . . . 7095 1 794 . 1 1 86 86 LEU CG C 13 26.977 0.000 . 1 . . . . . . . . 7095 1 795 . 1 1 86 86 LEU CD1 C 13 27.624 0.000 . 1 . . . . . . . . 7095 1 796 . 1 1 86 86 LEU CD2 C 13 22.469 0.000 . 1 . . . . . . . . 7095 1 797 . 1 1 86 86 LEU N N 15 118.390 0.000 . 1 . . . . . . . . 7095 1 798 . 1 1 87 87 PRO HA H 1 4.323 0.000 . 1 . . . . . . . . 7095 1 799 . 1 1 87 87 PRO HB2 H 1 2.175 0.001 . 2 . . . . . . . . 7095 1 800 . 1 1 87 87 PRO HB3 H 1 1.728 0.000 . 2 . . . . . . . . 7095 1 801 . 1 1 87 87 PRO HG2 H 1 2.041 0.000 . 1 . . . . . . . . 7095 1 802 . 1 1 87 87 PRO HG3 H 1 2.041 0.000 . 1 . . . . . . . . 7095 1 803 . 1 1 87 87 PRO HD2 H 1 3.475 0.000 . 2 . . . . . . . . 7095 1 804 . 1 1 87 87 PRO HD3 H 1 3.737 0.000 . 2 . . . . . . . . 7095 1 805 . 1 1 87 87 PRO C C 13 177.283 0.000 . 1 . . . . . . . . 7095 1 806 . 1 1 87 87 PRO CA C 13 62.580 0.000 . 1 . . . . . . . . 7095 1 807 . 1 1 87 87 PRO CB C 13 31.832 0.000 . 1 . . . . . . . . 7095 1 808 . 1 1 87 87 PRO CG C 13 27.948 0.000 . 1 . . . . . . . . 7095 1 809 . 1 1 87 87 PRO CD C 13 50.607 0.000 . 1 . . . . . . . . 7095 1 810 . 1 1 88 88 PHE H H 1 8.309 0.001 . 1 . . . . . . . . 7095 1 811 . 1 1 88 88 PHE HA H 1 4.472 0.000 . 1 . . . . . . . . 7095 1 812 . 1 1 88 88 PHE HB2 H 1 2.917 0.000 . 2 . . . . . . . . 7095 1 813 . 1 1 88 88 PHE HB3 H 1 3.301 0.000 . 2 . . . . . . . . 7095 1 814 . 1 1 88 88 PHE HD1 H 1 7.206 0.002 . 1 . . . . . . . . 7095 1 815 . 1 1 88 88 PHE HD2 H 1 7.206 0.002 . 1 . . . . . . . . 7095 1 816 . 1 1 88 88 PHE HE1 H 1 7.009 0.000 . 1 . . . . . . . . 7095 1 817 . 1 1 88 88 PHE HE2 H 1 7.009 0.000 . 1 . . . . . . . . 7095 1 818 . 1 1 88 88 PHE HZ H 1 6.595 0.000 . 1 . . . . . . . . 7095 1 819 . 1 1 88 88 PHE C C 13 178.354 0.000 . 1 . . . . . . . . 7095 1 820 . 1 1 88 88 PHE CA C 13 57.255 0.000 . 1 . . . . . . . . 7095 1 821 . 1 1 88 88 PHE CB C 13 38.936 0.000 . 1 . . . . . . . . 7095 1 822 . 1 1 88 88 PHE CD1 C 13 132.826 0.000 . 1 . . . . . . . . 7095 1 823 . 1 1 88 88 PHE CE1 C 13 130.990 0.000 . 1 . . . . . . . . 7095 1 824 . 1 1 88 88 PHE CZ C 13 129.007 0.000 . 1 . . . . . . . . 7095 1 825 . 1 1 88 88 PHE N N 15 122.769 0.000 . 1 . . . . . . . . 7095 1 826 . 1 1 89 89 GLY H H 1 9.238 0.001 . 1 . . . . . . . . 7095 1 827 . 1 1 89 89 GLY HA2 H 1 3.936 0.000 . 2 . . . . . . . . 7095 1 828 . 1 1 89 89 GLY HA3 H 1 3.727 0.000 . 2 . . . . . . . . 7095 1 829 . 1 1 89 89 GLY C C 13 173.514 0.000 . 1 . . . . . . . . 7095 1 830 . 1 1 89 89 GLY CA C 13 46.884 0.000 . 1 . . . . . . . . 7095 1 831 . 1 1 89 89 GLY N N 15 109.148 0.000 . 1 . . . . . . . . 7095 1 832 . 1 1 90 90 LYS H H 1 7.030 0.001 . 1 . . . . . . . . 7095 1 833 . 1 1 90 90 LYS HA H 1 4.735 0.000 . 1 . . . . . . . . 7095 1 834 . 1 1 90 90 LYS HB2 H 1 1.924 0.000 . 2 . . . . . . . . 7095 1 835 . 1 1 90 90 LYS HB3 H 1 1.520 0.000 . 2 . . . . . . . . 7095 1 836 . 1 1 90 90 LYS HG2 H 1 1.405 0.000 . 2 . . . . . . . . 7095 1 837 . 1 1 90 90 LYS HG3 H 1 1.355 0.000 . 2 . . . . . . . . 7095 1 838 . 1 1 90 90 LYS HD2 H 1 1.716 0.000 . 2 . . . . . . . . 7095 1 839 . 1 1 90 90 LYS HD3 H 1 1.622 0.000 . 2 . . . . . . . . 7095 1 840 . 1 1 90 90 LYS HE2 H 1 2.999 0.000 . 1 . . . . . . . . 7095 1 841 . 1 1 90 90 LYS HE3 H 1 2.999 0.000 . 1 . . . . . . . . 7095 1 842 . 1 1 90 90 LYS C C 13 176.285 0.000 . 1 . . . . . . . . 7095 1 843 . 1 1 90 90 LYS CA C 13 54.125 0.000 . 1 . . . . . . . . 7095 1 844 . 1 1 90 90 LYS CB C 13 36.718 0.000 . 1 . . . . . . . . 7095 1 845 . 1 1 90 90 LYS CG C 13 25.129 0.042 . 1 . . . . . . . . 7095 1 846 . 1 1 90 90 LYS CD C 13 28.876 0.047 . 1 . . . . . . . . 7095 1 847 . 1 1 90 90 LYS CE C 13 43.056 0.000 . 1 . . . . . . . . 7095 1 848 . 1 1 90 90 LYS N N 15 116.353 0.000 . 1 . . . . . . . . 7095 1 849 . 1 1 91 91 THR H H 1 8.797 0.001 . 1 . . . . . . . . 7095 1 850 . 1 1 91 91 THR HA H 1 5.300 0.000 . 1 . . . . . . . . 7095 1 851 . 1 1 91 91 THR HB H 1 3.942 0.000 . 1 . . . . . . . . 7095 1 852 . 1 1 91 91 THR HG21 H 1 0.968 0.000 . 1 . . . . . . . . 7095 1 853 . 1 1 91 91 THR HG22 H 1 0.968 0.000 . 1 . . . . . . . . 7095 1 854 . 1 1 91 91 THR HG23 H 1 0.968 0.000 . 1 . . . . . . . . 7095 1 855 . 1 1 91 91 THR C C 13 174.961 0.000 . 1 . . . . . . . . 7095 1 856 . 1 1 91 91 THR CA C 13 62.768 0.000 . 1 . . . . . . . . 7095 1 857 . 1 1 91 91 THR CB C 13 69.834 0.000 . 1 . . . . . . . . 7095 1 858 . 1 1 91 91 THR CG2 C 13 22.333 0.000 . 1 . . . . . . . . 7095 1 859 . 1 1 91 91 THR N N 15 121.745 0.000 . 1 . . . . . . . . 7095 1 860 . 1 1 92 92 THR H H 1 8.955 0.001 . 1 . . . . . . . . 7095 1 861 . 1 1 92 92 THR HA H 1 4.557 0.000 . 1 . . . . . . . . 7095 1 862 . 1 1 92 92 THR HB H 1 3.731 0.000 . 1 . . . . . . . . 7095 1 863 . 1 1 92 92 THR HG21 H 1 1.205 0.000 . 1 . . . . . . . . 7095 1 864 . 1 1 92 92 THR HG22 H 1 1.205 0.000 . 1 . . . . . . . . 7095 1 865 . 1 1 92 92 THR HG23 H 1 1.205 0.000 . 1 . . . . . . . . 7095 1 866 . 1 1 92 92 THR C C 13 172.689 0.000 . 1 . . . . . . . . 7095 1 867 . 1 1 92 92 THR CA C 13 63.182 0.000 . 1 . . . . . . . . 7095 1 868 . 1 1 92 92 THR CB C 13 71.788 0.000 . 1 . . . . . . . . 7095 1 869 . 1 1 92 92 THR CG2 C 13 22.974 0.000 . 1 . . . . . . . . 7095 1 870 . 1 1 92 92 THR N N 15 126.410 0.000 . 1 . . . . . . . . 7095 1 871 . 1 1 93 93 VAL H H 1 8.752 0.001 . 1 . . . . . . . . 7095 1 872 . 1 1 93 93 VAL HA H 1 4.953 0.000 . 1 . . . . . . . . 7095 1 873 . 1 1 93 93 VAL HB H 1 2.010 0.000 . 1 . . . . . . . . 7095 1 874 . 1 1 93 93 VAL HG11 H 1 0.833 0.000 . 2 . . . . . . . . 7095 1 875 . 1 1 93 93 VAL HG12 H 1 0.833 0.000 . 2 . . . . . . . . 7095 1 876 . 1 1 93 93 VAL HG13 H 1 0.833 0.000 . 2 . . . . . . . . 7095 1 877 . 1 1 93 93 VAL HG21 H 1 1.009 0.083 . 2 . . . . . . . . 7095 1 878 . 1 1 93 93 VAL HG22 H 1 1.009 0.083 . 2 . . . . . . . . 7095 1 879 . 1 1 93 93 VAL HG23 H 1 1.009 0.083 . 2 . . . . . . . . 7095 1 880 . 1 1 93 93 VAL C C 13 176.596 0.000 . 1 . . . . . . . . 7095 1 881 . 1 1 93 93 VAL CA C 13 62.122 0.000 . 1 . . . . . . . . 7095 1 882 . 1 1 93 93 VAL CB C 13 33.529 0.000 . 1 . . . . . . . . 7095 1 883 . 1 1 93 93 VAL CG1 C 13 21.680 0.000 . 1 . . . . . . . . 7095 1 884 . 1 1 93 93 VAL CG2 C 13 22.490 0.000 . 1 . . . . . . . . 7095 1 885 . 1 1 93 93 VAL N N 15 128.761 0.000 . 1 . . . . . . . . 7095 1 886 . 1 1 94 94 MET H H 1 8.941 0.001 . 1 . . . . . . . . 7095 1 887 . 1 1 94 94 MET HA H 1 5.074 0.000 . 1 . . . . . . . . 7095 1 888 . 1 1 94 94 MET HB2 H 1 1.631 0.000 . 2 . . . . . . . . 7095 1 889 . 1 1 94 94 MET HB3 H 1 2.024 0.000 . 2 . . . . . . . . 7095 1 890 . 1 1 94 94 MET HG2 H 1 2.872 0.000 . 2 . . . . . . . . 7095 1 891 . 1 1 94 94 MET HG3 H 1 2.321 0.000 . 2 . . . . . . . . 7095 1 892 . 1 1 94 94 MET HE1 H 1 1.347 0.000 . 1 . . . . . . . . 7095 1 893 . 1 1 94 94 MET HE2 H 1 1.347 0.000 . 1 . . . . . . . . 7095 1 894 . 1 1 94 94 MET HE3 H 1 1.347 0.000 . 1 . . . . . . . . 7095 1 895 . 1 1 94 94 MET C C 13 174.579 0.000 . 1 . . . . . . . . 7095 1 896 . 1 1 94 94 MET CA C 13 55.826 0.000 . 1 . . . . . . . . 7095 1 897 . 1 1 94 94 MET CB C 13 37.384 0.000 . 1 . . . . . . . . 7095 1 898 . 1 1 94 94 MET CG C 13 35.393 0.000 . 1 . . . . . . . . 7095 1 899 . 1 1 94 94 MET CE C 13 18.544 0.000 . 1 . . . . . . . . 7095 1 900 . 1 1 94 94 MET N N 15 123.367 0.000 . 1 . . . . . . . . 7095 1 901 . 1 1 95 95 HIS H H 1 8.482 0.001 . 1 . . . . . . . . 7095 1 902 . 1 1 95 95 HIS HA H 1 5.199 0.000 . 1 . . . . . . . . 7095 1 903 . 1 1 95 95 HIS HB2 H 1 2.836 0.000 . 2 . . . . . . . . 7095 1 904 . 1 1 95 95 HIS HB3 H 1 3.253 0.000 . 2 . . . . . . . . 7095 1 905 . 1 1 95 95 HIS HD2 H 1 7.042 0.000 . 1 . . . . . . . . 7095 1 906 . 1 1 95 95 HIS HE1 H 1 8.508 0.000 . 1 . . . . . . . . 7095 1 907 . 1 1 95 95 HIS C C 13 172.837 0.000 . 1 . . . . . . . . 7095 1 908 . 1 1 95 95 HIS CA C 13 55.605 0.000 . 1 . . . . . . . . 7095 1 909 . 1 1 95 95 HIS CB C 13 30.953 0.000 . 1 . . . . . . . . 7095 1 910 . 1 1 95 95 HIS CD2 C 13 119.483 0.000 . 1 . . . . . . . . 7095 1 911 . 1 1 95 95 HIS CE1 C 13 136.645 0.000 . 1 . . . . . . . . 7095 1 912 . 1 1 95 95 HIS N N 15 117.718 0.000 . 1 . . . . . . . . 7095 1 913 . 1 1 96 96 LEU H H 1 8.303 0.001 . 1 . . . . . . . . 7095 1 914 . 1 1 96 96 LEU HA H 1 5.370 0.000 . 1 . . . . . . . . 7095 1 915 . 1 1 96 96 LEU HB2 H 1 1.145 0.000 . 2 . . . . . . . . 7095 1 916 . 1 1 96 96 LEU HB3 H 1 1.752 0.002 . 2 . . . . . . . . 7095 1 917 . 1 1 96 96 LEU HG H 1 1.057 0.000 . 1 . . . . . . . . 7095 1 918 . 1 1 96 96 LEU HD11 H 1 0.794 0.000 . 2 . . . . . . . . 7095 1 919 . 1 1 96 96 LEU HD12 H 1 0.794 0.000 . 2 . . . . . . . . 7095 1 920 . 1 1 96 96 LEU HD13 H 1 0.794 0.000 . 2 . . . . . . . . 7095 1 921 . 1 1 96 96 LEU HD21 H 1 1.005 0.000 . 2 . . . . . . . . 7095 1 922 . 1 1 96 96 LEU HD22 H 1 1.005 0.000 . 2 . . . . . . . . 7095 1 923 . 1 1 96 96 LEU HD23 H 1 1.005 0.000 . 2 . . . . . . . . 7095 1 924 . 1 1 96 96 LEU C C 13 175.396 0.000 . 1 . . . . . . . . 7095 1 925 . 1 1 96 96 LEU CA C 13 53.802 0.000 . 1 . . . . . . . . 7095 1 926 . 1 1 96 96 LEU CB C 13 45.751 0.000 . 1 . . . . . . . . 7095 1 927 . 1 1 96 96 LEU CG C 13 27.300 0.000 . 1 . . . . . . . . 7095 1 928 . 1 1 96 96 LEU CD1 C 13 25.682 0.000 . 1 . . . . . . . . 7095 1 929 . 1 1 96 96 LEU CD2 C 13 25.035 0.000 . 1 . . . . . . . . 7095 1 930 . 1 1 96 96 LEU N N 15 125.668 0.000 . 1 . . . . . . . . 7095 1 931 . 1 1 97 97 VAL H H 1 9.173 0.001 . 1 . . . . . . . . 7095 1 932 . 1 1 97 97 VAL HA H 1 4.643 0.000 . 1 . . . . . . . . 7095 1 933 . 1 1 97 97 VAL HB H 1 2.169 0.000 . 1 . . . . . . . . 7095 1 934 . 1 1 97 97 VAL HG11 H 1 0.879 0.000 . 2 . . . . . . . . 7095 1 935 . 1 1 97 97 VAL HG12 H 1 0.879 0.000 . 2 . . . . . . . . 7095 1 936 . 1 1 97 97 VAL HG13 H 1 0.879 0.000 . 2 . . . . . . . . 7095 1 937 . 1 1 97 97 VAL HG21 H 1 0.882 0.000 . 2 . . . . . . . . 7095 1 938 . 1 1 97 97 VAL HG22 H 1 0.882 0.000 . 2 . . . . . . . . 7095 1 939 . 1 1 97 97 VAL HG23 H 1 0.882 0.000 . 2 . . . . . . . . 7095 1 940 . 1 1 97 97 VAL C C 13 173.429 0.000 . 1 . . . . . . . . 7095 1 941 . 1 1 97 97 VAL CA C 13 59.976 0.000 . 1 . . . . . . . . 7095 1 942 . 1 1 97 97 VAL CB C 13 36.145 0.000 . 1 . . . . . . . . 7095 1 943 . 1 1 97 97 VAL CG1 C 13 19.879 0.000 . 1 . . . . . . . . 7095 1 944 . 1 1 97 97 VAL CG2 C 13 20.527 0.000 . 1 . . . . . . . . 7095 1 945 . 1 1 97 97 VAL N N 15 121.544 0.000 . 1 . . . . . . . . 7095 1 946 . 1 1 98 98 ALA H H 1 8.612 0.001 . 1 . . . . . . . . 7095 1 947 . 1 1 98 98 ALA HA H 1 5.001 0.000 . 1 . . . . . . . . 7095 1 948 . 1 1 98 98 ALA HB1 H 1 1.332 0.000 . 1 . . . . . . . . 7095 1 949 . 1 1 98 98 ALA HB2 H 1 1.332 0.000 . 1 . . . . . . . . 7095 1 950 . 1 1 98 98 ALA HB3 H 1 1.332 0.000 . 1 . . . . . . . . 7095 1 951 . 1 1 98 98 ALA C C 13 177.233 0.000 . 1 . . . . . . . . 7095 1 952 . 1 1 98 98 ALA CA C 13 50.795 0.000 . 1 . . . . . . . . 7095 1 953 . 1 1 98 98 ALA CB C 13 20.554 0.000 . 1 . . . . . . . . 7095 1 954 . 1 1 98 98 ALA N N 15 125.623 0.000 . 1 . . . . . . . . 7095 1 955 . 1 1 99 99 ARG H H 1 8.699 0.001 . 1 . . . . . . . . 7095 1 956 . 1 1 99 99 ARG HA H 1 4.402 0.000 . 1 . . . . . . . . 7095 1 957 . 1 1 99 99 ARG HB2 H 1 1.734 0.000 . 2 . . . . . . . . 7095 1 958 . 1 1 99 99 ARG HB3 H 1 1.632 0.001 . 2 . . . . . . . . 7095 1 959 . 1 1 99 99 ARG HG2 H 1 1.522 0.000 . 1 . . . . . . . . 7095 1 960 . 1 1 99 99 ARG HG3 H 1 1.522 0.000 . 1 . . . . . . . . 7095 1 961 . 1 1 99 99 ARG HD2 H 1 3.132 0.000 . 1 . . . . . . . . 7095 1 962 . 1 1 99 99 ARG HD3 H 1 3.132 0.000 . 1 . . . . . . . . 7095 1 963 . 1 1 99 99 ARG HE H 1 7.093 0.000 . 1 . . . . . . . . 7095 1 964 . 1 1 99 99 ARG C C 13 175.105 0.000 . 1 . . . . . . . . 7095 1 965 . 1 1 99 99 ARG CA C 13 55.842 0.000 . 1 . . . . . . . . 7095 1 966 . 1 1 99 99 ARG CB C 13 32.202 0.036 . 1 . . . . . . . . 7095 1 967 . 1 1 99 99 ARG CG C 13 27.624 0.000 . 1 . . . . . . . . 7095 1 968 . 1 1 99 99 ARG CD C 13 40.572 0.000 . 1 . . . . . . . . 7095 1 969 . 1 1 99 99 ARG N N 15 122.911 0.000 . 1 . . . . . . . . 7095 1 970 . 1 1 99 99 ARG NE N 15 115.241 0.000 . 1 . . . . . . . . 7095 1 971 . 1 1 100 100 GLU H H 1 8.779 0.001 . 1 . . . . . . . . 7095 1 972 . 1 1 100 100 GLU HA H 1 4.158 0.000 . 1 . . . . . . . . 7095 1 973 . 1 1 100 100 GLU HB2 H 1 1.980 0.000 . 1 . . . . . . . . 7095 1 974 . 1 1 100 100 GLU HB3 H 1 1.980 0.000 . 1 . . . . . . . . 7095 1 975 . 1 1 100 100 GLU HG2 H 1 1.912 0.006 . 1 . . . . . . . . 7095 1 976 . 1 1 100 100 GLU HG3 H 1 1.912 0.006 . 1 . . . . . . . . 7095 1 977 . 1 1 100 100 GLU C C 13 176.299 0.000 . 1 . . . . . . . . 7095 1 978 . 1 1 100 100 GLU CA C 13 57.774 0.000 . 1 . . . . . . . . 7095 1 979 . 1 1 100 100 GLU CB C 13 30.225 0.000 . 1 . . . . . . . . 7095 1 980 . 1 1 100 100 GLU CG C 13 34.746 0.000 . 1 . . . . . . . . 7095 1 981 . 1 1 100 100 GLU N N 15 124.434 0.000 . 1 . . . . . . . . 7095 1 982 . 1 1 101 101 THR H H 1 8.036 0.001 . 1 . . . . . . . . 7095 1 983 . 1 1 101 101 THR HA H 1 4.304 0.000 . 1 . . . . . . . . 7095 1 984 . 1 1 101 101 THR HB H 1 4.044 0.000 . 1 . . . . . . . . 7095 1 985 . 1 1 101 101 THR HG21 H 1 1.103 0.000 . 1 . . . . . . . . 7095 1 986 . 1 1 101 101 THR HG22 H 1 1.103 0.000 . 1 . . . . . . . . 7095 1 987 . 1 1 101 101 THR HG23 H 1 1.103 0.000 . 1 . . . . . . . . 7095 1 988 . 1 1 101 101 THR C C 13 173.940 0.000 . 1 . . . . . . . . 7095 1 989 . 1 1 101 101 THR CA C 13 61.301 0.000 . 1 . . . . . . . . 7095 1 990 . 1 1 101 101 THR CB C 13 70.810 0.000 . 1 . . . . . . . . 7095 1 991 . 1 1 101 101 THR CG2 C 13 21.821 0.000 . 1 . . . . . . . . 7095 1 992 . 1 1 101 101 THR N N 15 114.217 0.000 . 1 . . . . . . . . 7095 1 993 . 1 1 102 102 LEU H H 1 8.340 0.001 . 1 . . . . . . . . 7095 1 994 . 1 1 102 102 LEU HA H 1 4.429 0.000 . 1 . . . . . . . . 7095 1 995 . 1 1 102 102 LEU HB2 H 1 1.491 0.000 . 2 . . . . . . . . 7095 1 996 . 1 1 102 102 LEU HB3 H 1 1.427 0.000 . 2 . . . . . . . . 7095 1 997 . 1 1 102 102 LEU HG H 1 0.775 0.000 . 1 . . . . . . . . 7095 1 998 . 1 1 102 102 LEU HD11 H 1 0.664 0.000 . 2 . . . . . . . . 7095 1 999 . 1 1 102 102 LEU HD12 H 1 0.664 0.000 . 2 . . . . . . . . 7095 1 1000 . 1 1 102 102 LEU HD13 H 1 0.664 0.000 . 2 . . . . . . . . 7095 1 1001 . 1 1 102 102 LEU CA C 13 52.873 0.000 . 1 . . . . . . . . 7095 1 1002 . 1 1 102 102 LEU CB C 13 42.191 0.000 . 1 . . . . . . . . 7095 1 1003 . 1 1 102 102 LEU CG C 13 25.035 0.000 . 1 . . . . . . . . 7095 1 1004 . 1 1 102 102 LEU CD1 C 13 23.416 0.000 . 1 . . . . . . . . 7095 1 1005 . 1 1 102 102 LEU N N 15 125.808 0.000 . 1 . . . . . . . . 7095 1 1006 . 1 1 103 103 PRO HA H 1 4.354 0.000 . 1 . . . . . . . . 7095 1 1007 . 1 1 103 103 PRO HB2 H 1 1.880 0.000 . 2 . . . . . . . . 7095 1 1008 . 1 1 103 103 PRO HB3 H 1 1.799 0.000 . 2 . . . . . . . . 7095 1 1009 . 1 1 103 103 PRO HG2 H 1 1.988 0.000 . 2 . . . . . . . . 7095 1 1010 . 1 1 103 103 PRO HG3 H 1 1.905 0.000 . 2 . . . . . . . . 7095 1 1011 . 1 1 103 103 PRO HD2 H 1 3.424 0.000 . 2 . . . . . . . . 7095 1 1012 . 1 1 103 103 PRO HD3 H 1 3.587 0.000 . 2 . . . . . . . . 7095 1 1013 . 1 1 103 103 PRO CA C 13 63.231 0.000 . 1 . . . . . . . . 7095 1 1014 . 1 1 103 103 PRO CB C 13 32.156 0.000 . 1 . . . . . . . . 7095 1 1015 . 1 1 103 103 PRO CG C 13 27.624 0.000 . 1 . . . . . . . . 7095 1 1016 . 1 1 103 103 PRO CD C 13 50.607 0.000 . 1 . . . . . . . . 7095 1 1017 . 1 1 104 104 GLU HA H 1 4.531 0.000 . 1 . . . . . . . . 7095 1 1018 . 1 1 104 104 GLU HB2 H 1 2.035 0.000 . 2 . . . . . . . . 7095 1 1019 . 1 1 104 104 GLU HB3 H 1 1.843 0.000 . 2 . . . . . . . . 7095 1 1020 . 1 1 104 104 GLU HG2 H 1 2.305 0.000 . 1 . . . . . . . . 7095 1 1021 . 1 1 104 104 GLU HG3 H 1 2.305 0.000 . 1 . . . . . . . . 7095 1 1022 . 1 1 104 104 GLU CA C 13 54.491 0.000 . 1 . . . . . . . . 7095 1 1023 . 1 1 104 104 GLU CB C 13 29.890 0.000 . 1 . . . . . . . . 7095 1 1024 . 1 1 104 104 GLU CG C 13 36.040 0.000 . 1 . . . . . . . . 7095 1 1025 . 1 1 105 105 PRO HA H 1 4.341 0.000 . 1 . . . . . . . . 7095 1 1026 . 1 1 105 105 PRO HB2 H 1 1.798 0.000 . 2 . . . . . . . . 7095 1 1027 . 1 1 105 105 PRO HB3 H 1 2.185 0.000 . 2 . . . . . . . . 7095 1 1028 . 1 1 105 105 PRO HG2 H 1 1.986 0.000 . 1 . . . . . . . . 7095 1 1029 . 1 1 105 105 PRO HG3 H 1 1.986 0.000 . 1 . . . . . . . . 7095 1 1030 . 1 1 105 105 PRO HD2 H 1 3.677 0.002 . 2 . . . . . . . . 7095 1 1031 . 1 1 105 105 PRO HD3 H 1 3.759 0.000 . 2 . . . . . . . . 7095 1 1032 . 1 1 105 105 PRO C C 13 177.003 0.000 . 1 . . . . . . . . 7095 1 1033 . 1 1 105 105 PRO CA C 13 63.570 0.048 . 1 . . . . . . . . 7095 1 1034 . 1 1 105 105 PRO CB C 13 31.870 0.104 . 1 . . . . . . . . 7095 1 1035 . 1 1 105 105 PRO CG C 13 27.948 0.000 . 1 . . . . . . . . 7095 1 1036 . 1 1 105 105 PRO CD C 13 51.200 0.121 . 1 . . . . . . . . 7095 1 1037 . 1 1 106 106 ASN H H 1 8.537 0.001 . 1 . . . . . . . . 7095 1 1038 . 1 1 106 106 ASN HA H 1 4.628 0.000 . 1 . . . . . . . . 7095 1 1039 . 1 1 106 106 ASN HB2 H 1 2.790 0.000 . 1 . . . . . . . . 7095 1 1040 . 1 1 106 106 ASN HB3 H 1 2.790 0.000 . 1 . . . . . . . . 7095 1 1041 . 1 1 106 106 ASN C C 13 175.721 0.000 . 1 . . . . . . . . 7095 1 1042 . 1 1 106 106 ASN CA C 13 53.661 0.000 . 1 . . . . . . . . 7095 1 1043 . 1 1 106 106 ASN CB C 13 38.779 0.000 . 1 . . . . . . . . 7095 1 1044 . 1 1 106 106 ASN N N 15 118.367 0.000 . 1 . . . . . . . . 7095 1 1045 . 1 1 107 107 SER H H 1 8.235 0.001 . 1 . . . . . . . . 7095 1 1046 . 1 1 107 107 SER HA H 1 4.396 0.000 . 1 . . . . . . . . 7095 1 1047 . 1 1 107 107 SER HB2 H 1 3.842 0.000 . 1 . . . . . . . . 7095 1 1048 . 1 1 107 107 SER HB3 H 1 3.842 0.000 . 1 . . . . . . . . 7095 1 1049 . 1 1 107 107 SER C C 13 175.802 0.729 . 1 . . . . . . . . 7095 1 1050 . 1 1 107 107 SER CA C 13 59.014 0.000 . 1 . . . . . . . . 7095 1 1051 . 1 1 107 107 SER CB C 13 64.390 0.000 . 1 . . . . . . . . 7095 1 1052 . 1 1 107 107 SER N N 15 116.173 0.000 . 1 . . . . . . . . 7095 1 1053 . 1 1 108 108 GLN H H 1 8.402 0.001 . 1 . . . . . . . . 7095 1 1054 . 1 1 108 108 GLN HA H 1 4.269 0.000 . 1 . . . . . . . . 7095 1 1055 . 1 1 108 108 GLN HB2 H 1 2.113 0.000 . 2 . . . . . . . . 7095 1 1056 . 1 1 108 108 GLN HB3 H 1 1.955 0.000 . 2 . . . . . . . . 7095 1 1057 . 1 1 108 108 GLN HG2 H 1 2.330 0.000 . 1 . . . . . . . . 7095 1 1058 . 1 1 108 108 GLN HG3 H 1 2.330 0.000 . 1 . . . . . . . . 7095 1 1059 . 1 1 108 108 GLN C C 13 176.852 0.000 . 1 . . . . . . . . 7095 1 1060 . 1 1 108 108 GLN CA C 13 56.708 0.000 . 1 . . . . . . . . 7095 1 1061 . 1 1 108 108 GLN CB C 13 29.498 0.000 . 1 . . . . . . . . 7095 1 1062 . 1 1 108 108 GLN CG C 13 33.774 0.000 . 1 . . . . . . . . 7095 1 1063 . 1 1 108 108 GLN N N 15 121.844 0.000 . 1 . . . . . . . . 7095 1 1064 . 1 1 109 109 GLY H H 1 8.341 0.001 . 1 . . . . . . . . 7095 1 1065 . 1 1 109 109 GLY HA2 H 1 3.897 0.000 . 2 . . . . . . . . 7095 1 1066 . 1 1 109 109 GLY HA3 H 1 3.990 0.000 . 2 . . . . . . . . 7095 1 1067 . 1 1 109 109 GLY C C 13 174.442 0.000 . 1 . . . . . . . . 7095 1 1068 . 1 1 109 109 GLY CA C 13 45.803 0.000 . 1 . . . . . . . . 7095 1 1069 . 1 1 109 109 GLY N N 15 109.395 0.000 . 1 . . . . . . . . 7095 1 1070 . 1 1 110 110 GLN H H 1 8.171 0.001 . 1 . . . . . . . . 7095 1 1071 . 1 1 110 110 GLN HA H 1 4.171 0.000 . 1 . . . . . . . . 7095 1 1072 . 1 1 110 110 GLN C C 13 173.694 0.000 . 1 . . . . . . . . 7095 1 1073 . 1 1 110 110 GLN CA C 13 56.327 0.000 . 1 . . . . . . . . 7095 1 1074 . 1 1 110 110 GLN N N 15 119.982 0.000 . 1 . . . . . . . . 7095 1 1075 . 1 1 111 111 ARG H H 1 7.872 0.000 . 1 . . . . . . . . 7095 1 1076 . 1 1 111 111 ARG HA H 1 4.250 0.003 . 1 . . . . . . . . 7095 1 1077 . 1 1 111 111 ARG HB2 H 1 1.788 0.000 . 1 . . . . . . . . 7095 1 1078 . 1 1 111 111 ARG HB3 H 1 1.788 0.000 . 1 . . . . . . . . 7095 1 1079 . 1 1 111 111 ARG HG2 H 1 1.587 0.000 . 1 . . . . . . . . 7095 1 1080 . 1 1 111 111 ARG HG3 H 1 1.587 0.000 . 1 . . . . . . . . 7095 1 1081 . 1 1 111 111 ARG HD2 H 1 3.169 0.007 . 1 . . . . . . . . 7095 1 1082 . 1 1 111 111 ARG HD3 H 1 3.169 0.007 . 1 . . . . . . . . 7095 1 1083 . 1 1 111 111 ARG HE H 1 7.050 0.001 . 1 . . . . . . . . 7095 1 1084 . 1 1 111 111 ARG CA C 13 57.081 0.000 . 1 . . . . . . . . 7095 1 1085 . 1 1 111 111 ARG CB C 13 31.004 0.000 . 1 . . . . . . . . 7095 1 1086 . 1 1 111 111 ARG CG C 13 27.489 0.000 . 1 . . . . . . . . 7095 1 1087 . 1 1 111 111 ARG CD C 13 43.710 0.000 . 1 . . . . . . . . 7095 1 1088 . 1 1 111 111 ARG N N 15 122.771 0.000 . 1 . . . . . . . . 7095 1 1089 . 1 1 111 111 ARG NE N 15 111.331 0.000 . 1 . . . . . . . . 7095 1 1090 . 1 1 112 112 ASN H H 1 8.428 0.001 . 1 . . . . . . . . 7095 1 1091 . 1 1 112 112 ASN HA H 1 4.660 0.000 . 1 . . . . . . . . 7095 1 1092 . 1 1 112 112 ASN HB2 H 1 2.804 0.000 . 1 . . . . . . . . 7095 1 1093 . 1 1 112 112 ASN HB3 H 1 2.804 0.000 . 1 . . . . . . . . 7095 1 1094 . 1 1 112 112 ASN C C 13 175.167 0.000 . 1 . . . . . . . . 7095 1 1095 . 1 1 112 112 ASN CA C 13 53.781 0.000 . 1 . . . . . . . . 7095 1 1096 . 1 1 112 112 ASN CB C 13 38.757 0.000 . 1 . . . . . . . . 7095 1 1097 . 1 1 112 112 ASN N N 15 119.605 0.000 . 1 . . . . . . . . 7095 1 1098 . 1 1 113 113 ARG HA H 1 4.416 0.047 . 1 . . . . . . . . 7095 1 1099 . 1 1 113 113 ARG HB2 H 1 1.488 0.000 . 1 . . . . . . . . 7095 1 1100 . 1 1 113 113 ARG HB3 H 1 1.488 0.000 . 1 . . . . . . . . 7095 1 1101 . 1 1 113 113 ARG HG2 H 1 0.793 0.000 . 2 . . . . . . . . 7095 1 1102 . 1 1 113 113 ARG HG3 H 1 0.637 0.000 . 2 . . . . . . . . 7095 1 1103 . 1 1 113 113 ARG HD2 H 1 1.487 0.000 . 2 . . . . . . . . 7095 1 1104 . 1 1 113 113 ARG HD3 H 1 1.421 0.000 . 2 . . . . . . . . 7095 1 1105 . 1 1 113 113 ARG C C 13 176.394 0.000 . 1 . . . . . . . . 7095 1 1106 . 1 1 113 113 ARG CA C 13 53.197 0.000 . 1 . . . . . . . . 7095 1 1107 . 1 1 113 113 ARG CB C 13 27.300 0.000 . 1 . . . . . . . . 7095 1 1108 . 1 1 113 113 ARG CG C 13 23.416 0.000 . 1 . . . . . . . . 7095 1 1109 . 1 1 113 113 ARG CD C 13 41.867 0.000 . 1 . . . . . . . . 7095 1 1110 . 1 1 114 114 GLU H H 1 8.326 0.000 . 1 . . . . . . . . 7095 1 1111 . 1 1 114 114 GLU N N 15 121.892 0.000 . 1 . . . . . . . . 7095 1 1112 . 1 1 115 115 LYS HA H 1 4.332 0.006 . 1 . . . . . . . . 7095 1 1113 . 1 1 115 115 LYS HB2 H 1 1.836 0.000 . 2 . . . . . . . . 7095 1 1114 . 1 1 115 115 LYS HB3 H 1 1.744 0.000 . 2 . . . . . . . . 7095 1 1115 . 1 1 115 115 LYS HG2 H 1 1.428 0.001 . 2 . . . . . . . . 7095 1 1116 . 1 1 115 115 LYS HG3 H 1 1.374 0.000 . 2 . . . . . . . . 7095 1 1117 . 1 1 115 115 LYS HD2 H 1 1.648 0.025 . 1 . . . . . . . . 7095 1 1118 . 1 1 115 115 LYS HD3 H 1 1.648 0.025 . 1 . . . . . . . . 7095 1 1119 . 1 1 115 115 LYS HE2 H 1 2.966 0.000 . 1 . . . . . . . . 7095 1 1120 . 1 1 115 115 LYS HE3 H 1 2.966 0.000 . 1 . . . . . . . . 7095 1 1121 . 1 1 115 115 LYS C C 13 176.927 0.000 . 1 . . . . . . . . 7095 1 1122 . 1 1 115 115 LYS CA C 13 56.726 0.031 . 1 . . . . . . . . 7095 1 1123 . 1 1 115 115 LYS CB C 13 33.177 0.044 . 1 . . . . . . . . 7095 1 1124 . 1 1 115 115 LYS CG C 13 25.035 0.000 . 1 . . . . . . . . 7095 1 1125 . 1 1 115 115 LYS CD C 13 29.243 0.000 . 1 . . . . . . . . 7095 1 1126 . 1 1 115 115 LYS CE C 13 41.867 0.000 . 1 . . . . . . . . 7095 1 1127 . 1 1 116 116 THR H H 1 8.115 0.000 . 1 . . . . . . . . 7095 1 1128 . 1 1 116 116 THR HA H 1 4.313 0.000 . 1 . . . . . . . . 7095 1 1129 . 1 1 116 116 THR HB H 1 4.217 0.000 . 1 . . . . . . . . 7095 1 1130 . 1 1 116 116 THR HG21 H 1 1.160 0.000 . 1 . . . . . . . . 7095 1 1131 . 1 1 116 116 THR HG22 H 1 1.160 0.000 . 1 . . . . . . . . 7095 1 1132 . 1 1 116 116 THR HG23 H 1 1.160 0.000 . 1 . . . . . . . . 7095 1 1133 . 1 1 116 116 THR C C 13 175.344 0.000 . 1 . . . . . . . . 7095 1 1134 . 1 1 116 116 THR CA C 13 62.282 0.000 . 1 . . . . . . . . 7095 1 1135 . 1 1 116 116 THR CB C 13 70.323 0.000 . 1 . . . . . . . . 7095 1 1136 . 1 1 116 116 THR CG2 C 13 21.523 0.000 . 1 . . . . . . . . 7095 1 1137 . 1 1 116 116 THR N N 15 114.883 0.000 . 1 . . . . . . . . 7095 1 1138 . 1 1 117 117 GLY H H 1 8.398 0.001 . 1 . . . . . . . . 7095 1 1139 . 1 1 117 117 GLY HA2 H 1 3.949 0.000 . 2 . . . . . . . . 7095 1 1140 . 1 1 117 117 GLY HA3 H 1 3.776 0.000 . 2 . . . . . . . . 7095 1 1141 . 1 1 117 117 GLY C C 13 174.334 0.000 . 1 . . . . . . . . 7095 1 1142 . 1 1 117 117 GLY CA C 13 45.678 0.000 . 1 . . . . . . . . 7095 1 1143 . 1 1 117 117 GLY N N 15 111.190 0.000 . 1 . . . . . . . . 7095 1 1144 . 1 1 118 118 GLU H H 1 8.220 0.001 . 1 . . . . . . . . 7095 1 1145 . 1 1 118 118 GLU HA H 1 4.280 0.000 . 1 . . . . . . . . 7095 1 1146 . 1 1 118 118 GLU HB2 H 1 2.039 0.000 . 2 . . . . . . . . 7095 1 1147 . 1 1 118 118 GLU HB3 H 1 1.901 0.000 . 2 . . . . . . . . 7095 1 1148 . 1 1 118 118 GLU HG2 H 1 2.269 0.000 . 2 . . . . . . . . 7095 1 1149 . 1 1 118 118 GLU HG3 H 1 2.233 0.000 . 2 . . . . . . . . 7095 1 1150 . 1 1 118 118 GLU C C 13 176.533 0.000 . 1 . . . . . . . . 7095 1 1151 . 1 1 118 118 GLU CA C 13 56.671 0.000 . 1 . . . . . . . . 7095 1 1152 . 1 1 118 118 GLU CB C 13 30.939 0.000 . 1 . . . . . . . . 7095 1 1153 . 1 1 118 118 GLU CG C 13 36.040 0.000 . 1 . . . . . . . . 7095 1 1154 . 1 1 118 118 GLU N N 15 120.455 0.000 . 1 . . . . . . . . 7095 1 1155 . 1 1 119 119 SER H H 1 8.350 0.001 . 1 . . . . . . . . 7095 1 1156 . 1 1 119 119 SER HA H 1 4.415 0.000 . 1 . . . . . . . . 7095 1 1157 . 1 1 119 119 SER HB2 H 1 3.830 0.000 . 1 . . . . . . . . 7095 1 1158 . 1 1 119 119 SER HB3 H 1 3.830 0.000 . 1 . . . . . . . . 7095 1 1159 . 1 1 119 119 SER CA C 13 58.563 0.000 . 1 . . . . . . . . 7095 1 1160 . 1 1 119 119 SER CB C 13 64.594 0.000 . 1 . . . . . . . . 7095 1 1161 . 1 1 119 119 SER N N 15 117.031 0.000 . 1 . . . . . . . . 7095 1 stop_ save_