data_4242 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4242 _Entry.Title ; Motile Major Sperm Protein (MSP) of Ascaris suum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-10-09 _Entry.Accession_date 1998-10-10 _Entry.Last_release_date 1999-01-25 _Entry.Original_release_date 1999-01-25 _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 Andreas Haaf . . . 4242 2 Lawrence LeClaire . . III 4242 3 Gregory Roberts . . . 4242 4 Helen Kent . M. . 4242 5 Thomas Roberts . M. . 4242 6 Murray Stewart . . . 4242 7 David Neuhaus . . . 4242 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4242 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 4242 '15N chemical shifts' 132 4242 '1H chemical shifts' 825 4242 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1999-01-25 1998-10-09 original author . 4242 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4242 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Haaf, A., LeClaire, L. III, Roberts, G., Kent, H. M., Roberts, T. M., Stewart, M., and Neuhaus, D., "Solution Structure of the Motile Major Sperm Protein (MSP) of Ascaris suum - Evidence for Two Manganese Binding Sites and the Possible Role of Divalent Cations in Filament Formation," J. Mol. Biol. 284, 1611-1623 (1998). ; _Citation.Title ; Solution Structure of the Motile Major Sperm Protein (MSP) of Ascaris suum - Evidence for Two Manganese Binding Sites and the Possible Role of Divalent Cations in Filament Formation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 284 _Citation.Journal_issue 5 _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 1611 _Citation.Page_last 1623 _Citation.Year 1998 _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 Andreas Haaf . . . 4242 1 2 Lawrence LeClaire . . III 4242 1 3 Gregory Roberts . . . 4242 1 4 Helen Kent . M. . 4242 1 5 Thomas Roberts . M. . 4242 1 6 Murray Stewart . . . 4242 1 7 David Neuhaus . . . 4242 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'amoeboid motility' 4242 1 filaments 4242 1 'major sperm protein' 4242 1 'NMR structure' 4242 1 polymerization 4242 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4242 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 4242 2 2 'C G' Bigam C. G. . 4242 2 3 J Yao J. . . 4242 2 4 F Abildgaard F. . . 4242 2 5 'H J' Dyson H. J. . 4242 2 6 E Oldfield E. . . 4242 2 7 'J L' Markley J. L. . 4242 2 8 'B D' Sykes B. D. . 4242 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MSP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MSP _Assembly.Entry_ID 4242 _Assembly.ID 1 _Assembly.Name 'Major Sperm Protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 dimer 4242 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 'MSP subunit A' 1 $MSP . . . native . . 1 . . 4242 1 2 'MSP subunit B' 1 $MSP . . . native . . 1 . . 4242 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 1MSP . 'Chain A, Major Sperm Protein, Alpha Isoform (Recombinant), Ph 4.6' . . . . 4242 1 yes PDB 3MSP . 'Chain A, Motile Major Sperm Protein (Msp) Of Ascaris Suum, Nmr, 20 Structures' . . . . 4242 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Major Sperm Protein' system 4242 1 MSP abbreviation 4242 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MSP _Entity.Sf_category entity _Entity.Sf_framecode MSP _Entity.Entry_ID 4242 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Major Sperm Protein' _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 ; AQSVPPGDINTQPSQKIVFN APYDDKHTYHIKITNAGGRR IGWAIKTTNMRRLSVDPPCG VLDPKEKVLMAVSCDTFNAA TEDLNNDRITIEWTNTPDGA AKQFRREWFQGDGMVRRKNL PIEYNL ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 2015-11-24 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 1MSP . "Major Sperm Protein, Alpha Isoform (Recombinant), Ph 4.6" . . . . . 100.00 126 100.00 100.00 2.20e-88 . . . . 4242 1 2 no PDB 2BVU . "D83r Mutant Of Asaris Suum Major Sperm Protein (Msp)" . . . . . 100.00 126 99.21 99.21 2.46e-87 . . . . 4242 1 3 no PDB 3MSP . "Motile Major Sperm Protein (Msp) Of Ascaris Suum, Nmr, 20 Structures" . . . . . 100.00 126 100.00 100.00 2.20e-88 . . . . 4242 1 4 no EMBL CAA63933 . "major sperm protein isoform alpha [Ascaris suum]" . . . . . 100.00 127 100.00 100.00 1.95e-88 . . . . 4242 1 5 no GB AAA29375 . "major sperm protein [Ascaris lumbricoides]" . . . . . 100.00 127 100.00 100.00 1.95e-88 . . . . 4242 1 6 no GB AAB23264 . "major sperm protein alpha isoform, alpha-MSP [Ascaris suum=nematodes, Peptide, 126 aa]" . . . . . 100.00 126 99.21 99.21 2.96e-87 . . . . 4242 1 7 no GB AAP76176 . "major sperm protein alpha [Ascaris suum]" . . . . . 100.00 127 100.00 100.00 1.95e-88 . . . . 4242 1 8 no GB ERG81453 . "major sperm protein isoform alpha [Ascaris suum]" . . . . . 100.00 127 100.00 100.00 1.95e-88 . . . . 4242 1 9 no SP P27439 . "RecName: Full=Major sperm protein isoform alpha; AltName: Full=Alpha-MSP" . . . . . 100.00 127 100.00 100.00 1.95e-88 . . . . 4242 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'alpha isoform' variant 4242 1 'Major Sperm Protein' common 4242 1 'MSP subunit A' abbreviation 4242 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 . ALA . 4242 1 2 . GLN . 4242 1 3 . SER . 4242 1 4 . VAL . 4242 1 5 . PRO . 4242 1 6 . PRO . 4242 1 7 . GLY . 4242 1 8 . ASP . 4242 1 9 . ILE . 4242 1 10 . ASN . 4242 1 11 . THR . 4242 1 12 . GLN . 4242 1 13 . PRO . 4242 1 14 . SER . 4242 1 15 . GLN . 4242 1 16 . LYS . 4242 1 17 . ILE . 4242 1 18 . VAL . 4242 1 19 . PHE . 4242 1 20 . ASN . 4242 1 21 . ALA . 4242 1 22 . PRO . 4242 1 23 . TYR . 4242 1 24 . ASP . 4242 1 25 . ASP . 4242 1 26 . LYS . 4242 1 27 . HIS . 4242 1 28 . THR . 4242 1 29 . TYR . 4242 1 30 . HIS . 4242 1 31 . ILE . 4242 1 32 . LYS . 4242 1 33 . ILE . 4242 1 34 . THR . 4242 1 35 . ASN . 4242 1 36 . ALA . 4242 1 37 . GLY . 4242 1 38 . GLY . 4242 1 39 . ARG . 4242 1 40 . ARG . 4242 1 41 . ILE . 4242 1 42 . GLY . 4242 1 43 . TRP . 4242 1 44 . ALA . 4242 1 45 . ILE . 4242 1 46 . LYS . 4242 1 47 . THR . 4242 1 48 . THR . 4242 1 49 . ASN . 4242 1 50 . MET . 4242 1 51 . ARG . 4242 1 52 . ARG . 4242 1 53 . LEU . 4242 1 54 . SER . 4242 1 55 . VAL . 4242 1 56 . ASP . 4242 1 57 . PRO . 4242 1 58 . PRO . 4242 1 59 . CYS . 4242 1 60 . GLY . 4242 1 61 . VAL . 4242 1 62 . LEU . 4242 1 63 . ASP . 4242 1 64 . PRO . 4242 1 65 . LYS . 4242 1 66 . GLU . 4242 1 67 . LYS . 4242 1 68 . VAL . 4242 1 69 . LEU . 4242 1 70 . MET . 4242 1 71 . ALA . 4242 1 72 . VAL . 4242 1 73 . SER . 4242 1 74 . CYS . 4242 1 75 . ASP . 4242 1 76 . THR . 4242 1 77 . PHE . 4242 1 78 . ASN . 4242 1 79 . ALA . 4242 1 80 . ALA . 4242 1 81 . THR . 4242 1 82 . GLU . 4242 1 83 . ASP . 4242 1 84 . LEU . 4242 1 85 . ASN . 4242 1 86 . ASN . 4242 1 87 . ASP . 4242 1 88 . ARG . 4242 1 89 . ILE . 4242 1 90 . THR . 4242 1 91 . ILE . 4242 1 92 . GLU . 4242 1 93 . TRP . 4242 1 94 . THR . 4242 1 95 . ASN . 4242 1 96 . THR . 4242 1 97 . PRO . 4242 1 98 . ASP . 4242 1 99 . GLY . 4242 1 100 . ALA . 4242 1 101 . ALA . 4242 1 102 . LYS . 4242 1 103 . GLN . 4242 1 104 . PHE . 4242 1 105 . ARG . 4242 1 106 . ARG . 4242 1 107 . GLU . 4242 1 108 . TRP . 4242 1 109 . PHE . 4242 1 110 . GLN . 4242 1 111 . GLY . 4242 1 112 . ASP . 4242 1 113 . GLY . 4242 1 114 . MET . 4242 1 115 . VAL . 4242 1 116 . ARG . 4242 1 117 . ARG . 4242 1 118 . LYS . 4242 1 119 . ASN . 4242 1 120 . LEU . 4242 1 121 . PRO . 4242 1 122 . ILE . 4242 1 123 . GLU . 4242 1 124 . TYR . 4242 1 125 . ASN . 4242 1 126 . LEU . 4242 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 . ALA 1 1 4242 1 . GLN 2 2 4242 1 . SER 3 3 4242 1 . VAL 4 4 4242 1 . PRO 5 5 4242 1 . PRO 6 6 4242 1 . GLY 7 7 4242 1 . ASP 8 8 4242 1 . ILE 9 9 4242 1 . ASN 10 10 4242 1 . THR 11 11 4242 1 . GLN 12 12 4242 1 . PRO 13 13 4242 1 . SER 14 14 4242 1 . GLN 15 15 4242 1 . LYS 16 16 4242 1 . ILE 17 17 4242 1 . VAL 18 18 4242 1 . PHE 19 19 4242 1 . ASN 20 20 4242 1 . ALA 21 21 4242 1 . PRO 22 22 4242 1 . TYR 23 23 4242 1 . ASP 24 24 4242 1 . ASP 25 25 4242 1 . LYS 26 26 4242 1 . HIS 27 27 4242 1 . THR 28 28 4242 1 . TYR 29 29 4242 1 . HIS 30 30 4242 1 . ILE 31 31 4242 1 . LYS 32 32 4242 1 . ILE 33 33 4242 1 . THR 34 34 4242 1 . ASN 35 35 4242 1 . ALA 36 36 4242 1 . GLY 37 37 4242 1 . GLY 38 38 4242 1 . ARG 39 39 4242 1 . ARG 40 40 4242 1 . ILE 41 41 4242 1 . GLY 42 42 4242 1 . TRP 43 43 4242 1 . ALA 44 44 4242 1 . ILE 45 45 4242 1 . LYS 46 46 4242 1 . THR 47 47 4242 1 . THR 48 48 4242 1 . ASN 49 49 4242 1 . MET 50 50 4242 1 . ARG 51 51 4242 1 . ARG 52 52 4242 1 . LEU 53 53 4242 1 . SER 54 54 4242 1 . VAL 55 55 4242 1 . ASP 56 56 4242 1 . PRO 57 57 4242 1 . PRO 58 58 4242 1 . CYS 59 59 4242 1 . GLY 60 60 4242 1 . VAL 61 61 4242 1 . LEU 62 62 4242 1 . ASP 63 63 4242 1 . PRO 64 64 4242 1 . LYS 65 65 4242 1 . GLU 66 66 4242 1 . LYS 67 67 4242 1 . VAL 68 68 4242 1 . LEU 69 69 4242 1 . MET 70 70 4242 1 . ALA 71 71 4242 1 . VAL 72 72 4242 1 . SER 73 73 4242 1 . CYS 74 74 4242 1 . ASP 75 75 4242 1 . THR 76 76 4242 1 . PHE 77 77 4242 1 . ASN 78 78 4242 1 . ALA 79 79 4242 1 . ALA 80 80 4242 1 . THR 81 81 4242 1 . GLU 82 82 4242 1 . ASP 83 83 4242 1 . LEU 84 84 4242 1 . ASN 85 85 4242 1 . ASN 86 86 4242 1 . ASP 87 87 4242 1 . ARG 88 88 4242 1 . ILE 89 89 4242 1 . THR 90 90 4242 1 . ILE 91 91 4242 1 . GLU 92 92 4242 1 . TRP 93 93 4242 1 . THR 94 94 4242 1 . ASN 95 95 4242 1 . THR 96 96 4242 1 . PRO 97 97 4242 1 . ASP 98 98 4242 1 . GLY 99 99 4242 1 . ALA 100 100 4242 1 . ALA 101 101 4242 1 . LYS 102 102 4242 1 . GLN 103 103 4242 1 . PHE 104 104 4242 1 . ARG 105 105 4242 1 . ARG 106 106 4242 1 . GLU 107 107 4242 1 . TRP 108 108 4242 1 . PHE 109 109 4242 1 . GLN 110 110 4242 1 . GLY 111 111 4242 1 . ASP 112 112 4242 1 . GLY 113 113 4242 1 . MET 114 114 4242 1 . VAL 115 115 4242 1 . ARG 116 116 4242 1 . ARG 117 117 4242 1 . LYS 118 118 4242 1 . ASN 119 119 4242 1 . LEU 120 120 4242 1 . PRO 121 121 4242 1 . ILE 122 122 4242 1 . GLU 123 123 4242 1 . TYR 124 124 4242 1 . ASN 125 125 4242 1 . LEU 126 126 4242 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 4242 _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 $MSP . 6253 . . 'Ascaris suum' 'Pig Roundworm' . . Eukaryota Metazoa Ascaris suum . . . . . . . 'Sperm Cell' . . . . . . . . . . . . . 4242 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 4242 _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 $MSP . recombinant_technology 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET11d . . . . . . 4242 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4242 _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 'Major Sperm Protein' . . . 1 $MSP . . . 2.5 3.5 mM . . . . 4242 1 2 D2O . . . . . . . 5 . . % . . . . 4242 1 3 H2O . . . . . . . 95 . . % . . . . 4242 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4242 _Sample.ID 2 _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 'Major Sperm Protein' [U-98%15N] . . 1 $MSP . . . 2.5 3.5 mM . . . . 4242 2 2 D2O . . . . . . . 5 . . % . . . . 4242 2 3 H2O . . . . . . . 95 . . % . . . . 4242 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4242 _Sample.ID 3 _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 'Major Sperm Protein' [U-98%13C;U-98%15N] . . 1 $MSP . . . 2.5 3.5 mM . . . . 4242 3 2 D2O . . . . . . . 5 . . % . . . . 4242 3 3 H2O . . . . . . . 95 . . % . . . . 4242 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4242 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 0.2 n/a 4242 1 pressure 1 . atm 4242 1 temperature 308 1 K 4242 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4242 _Software.ID 1 _Software.Name FELIX _Software.Version 2.30 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing and analysis' 4242 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4242 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4242 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX600 _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 4242 _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_one Bruker AMX500 . 500 . . . 4242 1 2 NMR_spectrometer_two Bruker DMX600 . 600 . . . 4242 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 4242 _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 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4242 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4242 1 3 DQ-correlation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4242 1 4 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4242 1 5 '3D 15N HSQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4242 1 6 '3D 13C HSQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4242 1 7 HCCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4242 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4242 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 4242 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct 1.0 . . . . . . . . . 4242 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 4242 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_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4242 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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_one . 4242 1 . . 2 $sample_two . 4242 1 . . 3 $sample_three . 4242 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.12 . . 1 . . . . . . . . 4242 1 2 . 1 1 1 1 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 4242 1 3 . 1 1 1 1 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 4242 1 4 . 1 1 1 1 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 4242 1 5 . 1 1 1 1 ALA CA C 13 50.1 . . 1 . . . . . . . . 4242 1 6 . 1 1 1 1 ALA CB C 13 17.7 . . 1 . . . . . . . . 4242 1 7 . 1 1 2 2 GLN CG C 13 32.3 . . 1 . . . . . . . . 4242 1 8 . 1 1 2 2 GLN H H 1 8.68 . . 1 . . . . . . . . 4242 1 9 . 1 1 2 2 GLN HA H 1 4.40 . . 1 . . . . . . . . 4242 1 10 . 1 1 2 2 GLN HB2 H 1 2.09 . . 2 . . . . . . . . 4242 1 11 . 1 1 2 2 GLN HB3 H 1 2.00 . . 2 . . . . . . . . 4242 1 12 . 1 1 2 2 GLN HG2 H 1 2.37 . . 1 . . . . . . . . 4242 1 13 . 1 1 2 2 GLN HG3 H 1 2.37 . . 1 . . . . . . . . 4242 1 14 . 1 1 2 2 GLN CA C 13 54.4 . . 1 . . . . . . . . 4242 1 15 . 1 1 2 2 GLN CB C 13 28.2 . . 1 . . . . . . . . 4242 1 16 . 1 1 2 2 GLN N N 15 127.0 . . 1 . . . . . . . . 4242 1 17 . 1 1 3 3 SER H H 1 8.47 . . 1 . . . . . . . . 4242 1 18 . 1 1 3 3 SER HA H 1 4.51 . . 1 . . . . . . . . 4242 1 19 . 1 1 3 3 SER HB2 H 1 3.83 . . 1 . . . . . . . . 4242 1 20 . 1 1 3 3 SER HB3 H 1 3.83 . . 1 . . . . . . . . 4242 1 21 . 1 1 3 3 SER CA C 13 56.6 . . 1 . . . . . . . . 4242 1 22 . 1 1 3 3 SER CB C 13 62.3 . . 1 . . . . . . . . 4242 1 23 . 1 1 3 3 SER N N 15 125.5 . . 1 . . . . . . . . 4242 1 24 . 1 1 4 4 VAL H H 1 8.13 . . 1 . . . . . . . . 4242 1 25 . 1 1 4 4 VAL HA H 1 4.55 . . 1 . . . . . . . . 4242 1 26 . 1 1 4 4 VAL HB H 1 2.07 . . 1 . . . . . . . . 4242 1 27 . 1 1 4 4 VAL HG11 H 1 0.94 . . 2 . . . . . . . . 4242 1 28 . 1 1 4 4 VAL HG12 H 1 0.94 . . 2 . . . . . . . . 4242 1 29 . 1 1 4 4 VAL HG13 H 1 0.94 . . 2 . . . . . . . . 4242 1 30 . 1 1 4 4 VAL HG21 H 1 0.86 . . 2 . . . . . . . . 4242 1 31 . 1 1 4 4 VAL HG22 H 1 0.86 . . 2 . . . . . . . . 4242 1 32 . 1 1 4 4 VAL HG23 H 1 0.86 . . 2 . . . . . . . . 4242 1 33 . 1 1 4 4 VAL CA C 13 57.7 . . 1 . . . . . . . . 4242 1 34 . 1 1 4 4 VAL CB C 13 31.5 . . 1 . . . . . . . . 4242 1 35 . 1 1 4 4 VAL CG1 C 13 19.5 . . 2 . . . . . . . . 4242 1 36 . 1 1 4 4 VAL CG2 C 13 18.2 . . 2 . . . . . . . . 4242 1 37 . 1 1 4 4 VAL N N 15 128.6 . . 1 . . . . . . . . 4242 1 38 . 1 1 5 5 PRO HA H 1 4.57 . . 1 . . . . . . . . 4242 1 39 . 1 1 5 5 PRO HB2 H 1 2.32 . . 2 . . . . . . . . 4242 1 40 . 1 1 5 5 PRO HB3 H 1 2.28 . . 2 . . . . . . . . 4242 1 41 . 1 1 5 5 PRO HG2 H 1 2.04 . . 2 . . . . . . . . 4242 1 42 . 1 1 5 5 PRO HG3 H 1 1.98 . . 2 . . . . . . . . 4242 1 43 . 1 1 5 5 PRO HD2 H 1 3.86 . . 2 . . . . . . . . 4242 1 44 . 1 1 5 5 PRO HD3 H 1 3.68 . . 2 . . . . . . . . 4242 1 45 . 1 1 5 5 PRO CA C 13 60.1 . . 1 . . . . . . . . 4242 1 46 . 1 1 5 5 PRO CB C 13 29.1 . . 1 . . . . . . . . 4242 1 47 . 1 1 5 5 PRO CG C 13 25.6 . . 1 . . . . . . . . 4242 1 48 . 1 1 5 5 PRO CD C 13 49.5 . . 1 . . . . . . . . 4242 1 49 . 1 1 6 6 PRO HA H 1 4.67 . . 2 . . . . . . . . 4242 1 50 . 1 1 6 6 PRO HB2 H 1 2.25 . . 2 . . . . . . . . 4242 1 51 . 1 1 6 6 PRO HB3 H 1 2.04 . . 2 . . . . . . . . 4242 1 52 . 1 1 6 6 PRO HG2 H 1 1.92 . . 2 . . . . . . . . 4242 1 53 . 1 1 6 6 PRO HG3 H 1 1.64 . . 2 . . . . . . . . 4242 1 54 . 1 1 6 6 PRO HD2 H 1 2.86 . . 2 . . . . . . . . 4242 1 55 . 1 1 6 6 PRO HD3 H 1 3.30 . . 2 . . . . . . . . 4242 1 56 . 1 1 6 6 PRO CA C 13 61.00 . . 1 . . . . . . . . 4242 1 57 . 1 1 6 6 PRO CB C 13 31.2 . . 1 . . . . . . . . 4242 1 58 . 1 1 6 6 PRO CG C 13 25.8 . . 1 . . . . . . . . 4242 1 59 . 1 1 6 6 PRO CD C 13 48.7 . . 1 . . . . . . . . 4242 1 60 . 1 1 7 7 GLY H H 1 8.92 . . 1 . . . . . . . . 4242 1 61 . 1 1 7 7 GLY HA2 H 1 4.33 . . 1 . . . . . . . . 4242 1 62 . 1 1 7 7 GLY HA3 H 1 3.85 . . 1 . . . . . . . . 4242 1 63 . 1 1 7 7 GLY CA C 13 42.6 . . 1 . . . . . . . . 4242 1 64 . 1 1 7 7 GLY N N 15 115.4 . . 1 . . . . . . . . 4242 1 65 . 1 1 8 8 ASP H H 1 8.53 . . 1 . . . . . . . . 4242 1 66 . 1 1 8 8 ASP HA H 1 4.78 . . 1 . . . . . . . . 4242 1 67 . 1 1 8 8 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 4242 1 68 . 1 1 8 8 ASP HB3 H 1 2.46 . . 2 . . . . . . . . 4242 1 69 . 1 1 8 8 ASP CA C 13 53.8 . . 1 . . . . . . . . 4242 1 70 . 1 1 8 8 ASP CB C 13 40.8 . . 1 . . . . . . . . 4242 1 71 . 1 1 8 8 ASP N N 15 126.00 . . 1 . . . . . . . . 4242 1 72 . 1 1 9 9 ILE H H 1 7.2 . . 1 . . . . . . . . 4242 1 73 . 1 1 9 9 ILE HA H 1 4.56 . . 1 . . . . . . . . 4242 1 74 . 1 1 9 9 ILE HB H 1 0.88 . . 1 . . . . . . . . 4242 1 75 . 1 1 9 9 ILE HG12 H 1 0.28 . . 2 . . . . . . . . 4242 1 76 . 1 1 9 9 ILE HG13 H 1 -0.64 . . 2 . . . . . . . . 4242 1 77 . 1 1 9 9 ILE HG21 H 1 -0.38 . . 1 . . . . . . . . 4242 1 78 . 1 1 9 9 ILE HG22 H 1 -0.38 . . 1 . . . . . . . . 4242 1 79 . 1 1 9 9 ILE HG23 H 1 -0.38 . . 1 . . . . . . . . 4242 1 80 . 1 1 9 9 ILE HD11 H 1 -0.18 . . 1 . . . . . . . . 4242 1 81 . 1 1 9 9 ILE HD12 H 1 -0.18 . . 1 . . . . . . . . 4242 1 82 . 1 1 9 9 ILE HD13 H 1 -0.18 . . 1 . . . . . . . . 4242 1 83 . 1 1 9 9 ILE CA C 13 57.9 . . 1 . . . . . . . . 4242 1 84 . 1 1 9 9 ILE CB C 13 38.8 . . 1 . . . . . . . . 4242 1 85 . 1 1 9 9 ILE CG1 C 13 22.6 . . 1 . . . . . . . . 4242 1 86 . 1 1 9 9 ILE CG2 C 13 14.6 . . 1 . . . . . . . . 4242 1 87 . 1 1 9 9 ILE CD1 C 13 13.2 . . 1 . . . . . . . . 4242 1 88 . 1 1 9 9 ILE N N 15 116.4 . . 1 . . . . . . . . 4242 1 89 . 1 1 10 10 ASN H H 1 8.4 . . 1 . . . . . . . . 4242 1 90 . 1 1 10 10 ASN HA H 1 5.05 . . 1 . . . . . . . . 4242 1 91 . 1 1 10 10 ASN HB2 H 1 2.62 . . 1 . . . . . . . . 4242 1 92 . 1 1 10 10 ASN HB3 H 1 2.38 . . 1 . . . . . . . . 4242 1 93 . 1 1 10 10 ASN HD21 H 1 7.35 . . 1 . . . . . . . . 4242 1 94 . 1 1 10 10 ASN HD22 H 1 6.92 . . 1 . . . . . . . . 4242 1 95 . 1 1 10 10 ASN CA C 13 50.00 . . 1 . . . . . . . . 4242 1 96 . 1 1 10 10 ASN CB C 13 40.4 . . 1 . . . . . . . . 4242 1 97 . 1 1 10 10 ASN N N 15 126.1 . . 1 . . . . . . . . 4242 1 98 . 1 1 10 10 ASN ND2 N 15 118.5 . . 1 . . . . . . . . 4242 1 99 . 1 1 11 11 THR H H 1 8.77 . . 1 . . . . . . . . 4242 1 100 . 1 1 11 11 THR HA H 1 5.34 . . 1 . . . . . . . . 4242 1 101 . 1 1 11 11 THR HB H 1 3.91 . . 1 . . . . . . . . 4242 1 102 . 1 1 11 11 THR HG21 H 1 0.71 . . 1 . . . . . . . . 4242 1 103 . 1 1 11 11 THR HG22 H 1 0.71 . . 1 . . . . . . . . 4242 1 104 . 1 1 11 11 THR HG23 H 1 0.71 . . 1 . . . . . . . . 4242 1 105 . 1 1 11 11 THR CA C 13 57.8 . . 1 . . . . . . . . 4242 1 106 . 1 1 11 11 THR CB C 13 70.00 . . 1 . . . . . . . . 4242 1 107 . 1 1 11 11 THR CG2 C 13 19.8 . . 1 . . . . . . . . 4242 1 108 . 1 1 11 11 THR N N 15 119.8 . . 1 . . . . . . . . 4242 1 109 . 1 1 12 12 GLN H H 1 8.24 . . 1 . . . . . . . . 4242 1 110 . 1 1 12 12 GLN HA H 1 4.25 . . 1 . . . . . . . . 4242 1 111 . 1 1 12 12 GLN CA C 13 51.4 . . 1 . . . . . . . . 4242 1 112 . 1 1 12 12 GLN N N 15 127.00 . . 1 . . . . . . . . 4242 1 113 . 1 1 13 13 PRO HA H 1 4.75 . . 1 . . . . . . . . 4242 1 114 . 1 1 13 13 PRO HB2 H 1 2.45 . . 2 . . . . . . . . 4242 1 115 . 1 1 13 13 PRO HB3 H 1 2.42 . . 2 . . . . . . . . 4242 1 116 . 1 1 13 13 PRO HG2 H 1 1.98 . . 2 . . . . . . . . 4242 1 117 . 1 1 13 13 PRO HG3 H 1 1.77 . . 2 . . . . . . . . 4242 1 118 . 1 1 13 13 PRO HD2 H 1 4.13 . . 2 . . . . . . . . 4242 1 119 . 1 1 13 13 PRO HD3 H 1 3.15 . . 2 . . . . . . . . 4242 1 120 . 1 1 13 13 PRO CA C 13 61.5 . . 1 . . . . . . . . 4242 1 121 . 1 1 13 13 PRO CB C 13 33.2 . . 1 . . . . . . . . 4242 1 122 . 1 1 13 13 PRO CG C 13 25.2 . . 1 . . . . . . . . 4242 1 123 . 1 1 13 13 PRO CD C 13 48.7 . . 1 . . . . . . . . 4242 1 124 . 1 1 14 14 SER H H 1 10.00 . . 1 . . . . . . . . 4242 1 125 . 1 1 14 14 SER HA H 1 4.16 . . 1 . . . . . . . . 4242 1 126 . 1 1 14 14 SER HB2 H 1 4.09 . . 2 . . . . . . . . 4242 1 127 . 1 1 14 14 SER HB3 H 1 4.00 . . 2 . . . . . . . . 4242 1 128 . 1 1 14 14 SER CA C 13 59.4 . . 1 . . . . . . . . 4242 1 129 . 1 1 14 14 SER CB C 13 63.2 . . 1 . . . . . . . . 4242 1 130 . 1 1 14 14 SER N N 15 123.00 . . 1 . . . . . . . . 4242 1 131 . 1 1 15 15 GLN H H 1 8.56 . . 1 . . . . . . . . 4242 1 132 . 1 1 15 15 GLN HA H 1 4.67 . . 1 . . . . . . . . 4242 1 133 . 1 1 15 15 GLN HB2 H 1 2.16 . . 2 . . . . . . . . 4242 1 134 . 1 1 15 15 GLN HB3 H 1 2.03 . . 2 . . . . . . . . 4242 1 135 . 1 1 15 15 GLN CA C 13 55.1 . . 1 . . . . . . . . 4242 1 136 . 1 1 15 15 GLN CB C 13 30.2 . . 1 . . . . . . . . 4242 1 137 . 1 1 15 15 GLN N N 15 124.00 . . 1 . . . . . . . . 4242 1 138 . 1 1 16 16 LYS H H 1 7.81 . . 1 . . . . . . . . 4242 1 139 . 1 1 16 16 LYS HA H 1 4.68 . . 1 . . . . . . . . 4242 1 140 . 1 1 16 16 LYS CA C 13 53.3 . . 1 . . . . . . . . 4242 1 141 . 1 1 16 16 LYS N N 15 121.1 . . 1 . . . . . . . . 4242 1 142 . 1 1 17 17 ILE H H 1 8.59 . . 1 . . . . . . . . 4242 1 143 . 1 1 17 17 ILE HA H 1 4.06 . . 1 . . . . . . . . 4242 1 144 . 1 1 17 17 ILE HB H 1 1.29 . . 1 . . . . . . . . 4242 1 145 . 1 1 17 17 ILE HG12 H 1 1.29 . . 2 . . . . . . . . 4242 1 146 . 1 1 17 17 ILE HG13 H 1 0.75 . . 2 . . . . . . . . 4242 1 147 . 1 1 17 17 ILE HG21 H 1 0.46 . . 1 . . . . . . . . 4242 1 148 . 1 1 17 17 ILE HG22 H 1 0.46 . . 1 . . . . . . . . 4242 1 149 . 1 1 17 17 ILE HG23 H 1 0.46 . . 1 . . . . . . . . 4242 1 150 . 1 1 17 17 ILE HD11 H 1 0.74 . . 1 . . . . . . . . 4242 1 151 . 1 1 17 17 ILE HD12 H 1 0.74 . . 1 . . . . . . . . 4242 1 152 . 1 1 17 17 ILE HD13 H 1 0.74 . . 1 . . . . . . . . 4242 1 153 . 1 1 17 17 ILE CA C 13 59.00 . . 1 . . . . . . . . 4242 1 154 . 1 1 17 17 ILE CB C 13 40.3 . . 1 . . . . . . . . 4242 1 155 . 1 1 17 17 ILE CG1 C 13 26.9 . . 1 . . . . . . . . 4242 1 156 . 1 1 17 17 ILE CG2 C 13 15.4 . . 1 . . . . . . . . 4242 1 157 . 1 1 17 17 ILE CD1 C 13 13.2 . . 1 . . . . . . . . 4242 1 158 . 1 1 17 17 ILE N N 15 126.4 . . 1 . . . . . . . . 4242 1 159 . 1 1 18 18 VAL H H 1 7.96 . . 1 . . . . . . . . 4242 1 160 . 1 1 18 18 VAL HA H 1 4.81 . . 1 . . . . . . . . 4242 1 161 . 1 1 18 18 VAL HB H 1 1.91 . . 1 . . . . . . . . 4242 1 162 . 1 1 18 18 VAL HG11 H 1 0.75 . . 1 . . . . . . . . 4242 1 163 . 1 1 18 18 VAL HG12 H 1 0.75 . . 1 . . . . . . . . 4242 1 164 . 1 1 18 18 VAL HG13 H 1 0.75 . . 1 . . . . . . . . 4242 1 165 . 1 1 18 18 VAL HG21 H 1 0.75 . . 1 . . . . . . . . 4242 1 166 . 1 1 18 18 VAL HG22 H 1 0.75 . . 1 . . . . . . . . 4242 1 167 . 1 1 18 18 VAL HG23 H 1 0.75 . . 1 . . . . . . . . 4242 1 168 . 1 1 18 18 VAL CA C 13 59.1 . . 1 . . . . . . . . 4242 1 169 . 1 1 18 18 VAL CB C 13 31.3 . . 1 . . . . . . . . 4242 1 170 . 1 1 18 18 VAL CG1 C 13 19.4 . . 1 . . . . . . . . 4242 1 171 . 1 1 18 18 VAL CG2 C 13 19.4 . . 1 . . . . . . . . 4242 1 172 . 1 1 18 18 VAL N N 15 133.00 . . 1 . . . . . . . . 4242 1 173 . 1 1 19 19 PHE H H 1 8.79 . . 1 . . . . . . . . 4242 1 174 . 1 1 19 19 PHE HA H 1 5.03 . . 1 . . . . . . . . 4242 1 175 . 1 1 19 19 PHE HB2 H 1 3.32 . . 1 . . . . . . . . 4242 1 176 . 1 1 19 19 PHE HB3 H 1 2.99 . . 1 . . . . . . . . 4242 1 177 . 1 1 19 19 PHE HD1 H 1 6.65 . . 1 . . . . . . . . 4242 1 178 . 1 1 19 19 PHE HD2 H 1 6.65 . . 1 . . . . . . . . 4242 1 179 . 1 1 19 19 PHE HE1 H 1 6.61 . . 1 . . . . . . . . 4242 1 180 . 1 1 19 19 PHE HE2 H 1 6.61 . . 1 . . . . . . . . 4242 1 181 . 1 1 19 19 PHE HZ H 1 6.7 . . 1 . . . . . . . . 4242 1 182 . 1 1 19 19 PHE CA C 13 53.4 . . 1 . . . . . . . . 4242 1 183 . 1 1 19 19 PHE CB C 13 37.5 . . 1 . . . . . . . . 4242 1 184 . 1 1 19 19 PHE CD1 C 13 129.00 . . 1 . . . . . . . . 4242 1 185 . 1 1 19 19 PHE CD2 C 13 129.00 . . 1 . . . . . . . . 4242 1 186 . 1 1 19 19 PHE CE1 C 13 129.00 . . 1 . . . . . . . . 4242 1 187 . 1 1 19 19 PHE CE2 C 13 129.00 . . 1 . . . . . . . . 4242 1 188 . 1 1 19 19 PHE CZ C 13 125.6 . . 1 . . . . . . . . 4242 1 189 . 1 1 19 19 PHE N N 15 131.8 . . 1 . . . . . . . . 4242 1 190 . 1 1 20 20 ASN HA H 1 5.53 . . 1 . . . . . . . . 4242 1 191 . 1 1 20 20 ASN HB2 H 1 2.84 . . 1 . . . . . . . . 4242 1 192 . 1 1 20 20 ASN HB3 H 1 2.77 . . 1 . . . . . . . . 4242 1 193 . 1 1 20 20 ASN CA C 13 52.3 . . 1 . . . . . . . . 4242 1 194 . 1 1 20 20 ASN CB C 13 42.00 . . 1 . . . . . . . . 4242 1 195 . 1 1 21 21 ALA H H 1 7.85 . . 1 . . . . . . . . 4242 1 196 . 1 1 21 21 ALA HA H 1 2.46 . . 1 . . . . . . . . 4242 1 197 . 1 1 21 21 ALA HB1 H 1 1.29 . . 1 . . . . . . . . 4242 1 198 . 1 1 21 21 ALA HB2 H 1 1.29 . . 1 . . . . . . . . 4242 1 199 . 1 1 21 21 ALA HB3 H 1 1.29 . . 1 . . . . . . . . 4242 1 200 . 1 1 21 21 ALA CA C 13 49.2 . . 1 . . . . . . . . 4242 1 201 . 1 1 21 21 ALA CB C 13 17.8 . . 1 . . . . . . . . 4242 1 202 . 1 1 21 21 ALA N N 15 132.4 . . 1 . . . . . . . . 4242 1 203 . 1 1 22 22 PRO HA H 1 4.13 . . 1 . . . . . . . . 4242 1 204 . 1 1 22 22 PRO HB2 H 1 2.28 . . 2 . . . . . . . . 4242 1 205 . 1 1 22 22 PRO HB3 H 1 2.2 . . 2 . . . . . . . . 4242 1 206 . 1 1 22 22 PRO HG2 H 1 1.93 . . 2 . . . . . . . . 4242 1 207 . 1 1 22 22 PRO HG3 H 1 1.6 . . 2 . . . . . . . . 4242 1 208 . 1 1 22 22 PRO HD2 H 1 3.61 . . 2 . . . . . . . . 4242 1 209 . 1 1 22 22 PRO HD3 H 1 3.48 . . 2 . . . . . . . . 4242 1 210 . 1 1 22 22 PRO CA C 13 59.2 . . 1 . . . . . . . . 4242 1 211 . 1 1 22 22 PRO CB C 13 34.1 . . 1 . . . . . . . . 4242 1 212 . 1 1 22 22 PRO CG C 13 23.5 . . 1 . . . . . . . . 4242 1 213 . 1 1 22 22 PRO CD C 13 48.8 . . 1 . . . . . . . . 4242 1 214 . 1 1 23 23 TYR H H 1 8.71 . . 1 . . . . . . . . 4242 1 215 . 1 1 23 23 TYR HA H 1 5.05 . . 1 . . . . . . . . 4242 1 216 . 1 1 23 23 TYR HB2 H 1 2.98 . . 1 . . . . . . . . 4242 1 217 . 1 1 23 23 TYR HB3 H 1 2.18 . . 1 . . . . . . . . 4242 1 218 . 1 1 23 23 TYR HD1 H 1 7.12 . . 1 . . . . . . . . 4242 1 219 . 1 1 23 23 TYR HD2 H 1 7.12 . . 1 . . . . . . . . 4242 1 220 . 1 1 23 23 TYR HE1 H 1 6.65 . . 1 . . . . . . . . 4242 1 221 . 1 1 23 23 TYR HE2 H 1 6.65 . . 1 . . . . . . . . 4242 1 222 . 1 1 23 23 TYR CA C 13 55.7 . . 1 . . . . . . . . 4242 1 223 . 1 1 23 23 TYR CB C 13 35.2 . . 1 . . . . . . . . 4242 1 224 . 1 1 23 23 TYR CD1 C 13 131.9 . . 1 . . . . . . . . 4242 1 225 . 1 1 23 23 TYR CD2 C 13 131.9 . . 1 . . . . . . . . 4242 1 226 . 1 1 23 23 TYR CE1 C 13 117.00 . . 1 . . . . . . . . 4242 1 227 . 1 1 23 23 TYR CE2 C 13 117.00 . . 1 . . . . . . . . 4242 1 228 . 1 1 23 23 TYR N N 15 128.5 . . 1 . . . . . . . . 4242 1 229 . 1 1 24 24 ASP H H 1 7.6 . . 1 . . . . . . . . 4242 1 230 . 1 1 24 24 ASP HA H 1 4.47 . . 1 . . . . . . . . 4242 1 231 . 1 1 24 24 ASP HB2 H 1 2.67 . . 1 . . . . . . . . 4242 1 232 . 1 1 24 24 ASP HB3 H 1 2.67 . . 1 . . . . . . . . 4242 1 233 . 1 1 24 24 ASP CA C 13 52.6 . . 1 . . . . . . . . 4242 1 234 . 1 1 24 24 ASP CB C 13 38.4 . . 1 . . . . . . . . 4242 1 235 . 1 1 24 24 ASP N N 15 123.5 . . 1 . . . . . . . . 4242 1 236 . 1 1 25 25 ASP H H 1 7.53 . . 1 . . . . . . . . 4242 1 237 . 1 1 25 25 ASP HA H 1 4.7 . . 1 . . . . . . . . 4242 1 238 . 1 1 25 25 ASP HB2 H 1 2.51 . . 2 . . . . . . . . 4242 1 239 . 1 1 25 25 ASP HB3 H 1 2.34 . . 2 . . . . . . . . 4242 1 240 . 1 1 25 25 ASP CA C 13 50.6 . . 1 . . . . . . . . 4242 1 241 . 1 1 25 25 ASP CB C 13 42.4 . . 1 . . . . . . . . 4242 1 242 . 1 1 25 25 ASP N N 15 124.5 . . 1 . . . . . . . . 4242 1 243 . 1 1 26 26 LYS H H 1 8.46 . . 1 . . . . . . . . 4242 1 244 . 1 1 26 26 LYS HA H 1 4.54 . . 1 . . . . . . . . 4242 1 245 . 1 1 26 26 LYS HB2 H 1 1.76 . . 1 . . . . . . . . 4242 1 246 . 1 1 26 26 LYS HB3 H 1 1.76 . . 1 . . . . . . . . 4242 1 247 . 1 1 26 26 LYS HG2 H 1 1.32 . . 1 . . . . . . . . 4242 1 248 . 1 1 26 26 LYS HG3 H 1 1.32 . . 1 . . . . . . . . 4242 1 249 . 1 1 26 26 LYS HD2 H 1 1.62 . . 1 . . . . . . . . 4242 1 250 . 1 1 26 26 LYS HD3 H 1 1.62 . . 1 . . . . . . . . 4242 1 251 . 1 1 26 26 LYS CA C 13 55.2 . . 1 . . . . . . . . 4242 1 252 . 1 1 26 26 LYS CB C 13 31.3 . . 1 . . . . . . . . 4242 1 253 . 1 1 26 26 LYS CG C 13 23.4 . . 1 . . . . . . . . 4242 1 254 . 1 1 26 26 LYS CD C 13 27.5 . . 1 . . . . . . . . 4242 1 255 . 1 1 26 26 LYS N N 15 129.5 . . 1 . . . . . . . . 4242 1 256 . 1 1 27 27 HIS H H 1 8.43 . . 1 . . . . . . . . 4242 1 257 . 1 1 27 27 HIS HA H 1 4.91 . . 1 . . . . . . . . 4242 1 258 . 1 1 27 27 HIS HB2 H 1 3.09 . . 1 . . . . . . . . 4242 1 259 . 1 1 27 27 HIS HB3 H 1 3.09 . . 1 . . . . . . . . 4242 1 260 . 1 1 27 27 HIS HD2 H 1 6.46 . . 1 . . . . . . . . 4242 1 261 . 1 1 27 27 HIS CA C 13 53.1 . . 1 . . . . . . . . 4242 1 262 . 1 1 27 27 HIS CB C 13 30.8 . . 1 . . . . . . . . 4242 1 263 . 1 1 27 27 HIS CD2 C 13 119.3 . . 1 . . . . . . . . 4242 1 264 . 1 1 27 27 HIS N N 15 128.8 . . 1 . . . . . . . . 4242 1 265 . 1 1 28 28 THR H H 1 8.66 . . 1 . . . . . . . . 4242 1 266 . 1 1 28 28 THR HA H 1 4.86 . . 1 . . . . . . . . 4242 1 267 . 1 1 28 28 THR HB H 1 3.76 . . 1 . . . . . . . . 4242 1 268 . 1 1 28 28 THR HG21 H 1 0.93 . . 1 . . . . . . . . 4242 1 269 . 1 1 28 28 THR HG22 H 1 0.93 . . 1 . . . . . . . . 4242 1 270 . 1 1 28 28 THR HG23 H 1 0.93 . . 1 . . . . . . . . 4242 1 271 . 1 1 28 28 THR CA C 13 61.1 . . 1 . . . . . . . . 4242 1 272 . 1 1 28 28 THR CB C 13 69.7 . . 1 . . . . . . . . 4242 1 273 . 1 1 28 28 THR CG2 C 13 20.7 . . 1 . . . . . . . . 4242 1 274 . 1 1 28 28 THR N N 15 128.00 . . 1 . . . . . . . . 4242 1 275 . 1 1 29 29 TYR H H 1 9.21 . . 1 . . . . . . . . 4242 1 276 . 1 1 29 29 TYR HA H 1 4.99 . . 1 . . . . . . . . 4242 1 277 . 1 1 29 29 TYR HB2 H 1 3.17 . . 2 . . . . . . . . 4242 1 278 . 1 1 29 29 TYR HB3 H 1 2.7 . . 2 . . . . . . . . 4242 1 279 . 1 1 29 29 TYR HD2 H 1 6.93 . . 1 . . . . . . . . 4242 1 280 . 1 1 29 29 TYR HE1 H 1 6.69 . . 1 . . . . . . . . 4242 1 281 . 1 1 29 29 TYR HE2 H 1 6.69 . . 1 . . . . . . . . 4242 1 282 . 1 1 29 29 TYR CA C 13 54.1 . . 1 . . . . . . . . 4242 1 283 . 1 1 29 29 TYR CB C 13 39.1 . . 1 . . . . . . . . 4242 1 284 . 1 1 29 29 TYR CD1 C 13 131.6 . . 1 . . . . . . . . 4242 1 285 . 1 1 29 29 TYR CD2 C 13 131.6 . . 1 . . . . . . . . 4242 1 286 . 1 1 29 29 TYR CE1 C 13 117.00 . . 1 . . . . . . . . 4242 1 287 . 1 1 29 29 TYR CE2 C 13 117.00 . . 1 . . . . . . . . 4242 1 288 . 1 1 29 29 TYR N N 15 135.00 . . 1 . . . . . . . . 4242 1 289 . 1 1 30 30 HIS H H 1 8.62 . . 1 . . . . . . . . 4242 1 290 . 1 1 30 30 HIS HA H 1 5.79 . . 1 . . . . . . . . 4242 1 291 . 1 1 30 30 HIS HB2 H 1 3.09 . . 2 . . . . . . . . 4242 1 292 . 1 1 30 30 HIS HB3 H 1 2.91 . . 2 . . . . . . . . 4242 1 293 . 1 1 30 30 HIS HD2 H 1 6.99 . . 1 . . . . . . . . 4242 1 294 . 1 1 30 30 HIS HE1 H 1 8.52 . . 1 . . . . . . . . 4242 1 295 . 1 1 30 30 HIS CA C 13 54.1 . . 1 . . . . . . . . 4242 1 296 . 1 1 30 30 HIS CB C 13 30.3 . . 1 . . . . . . . . 4242 1 297 . 1 1 30 30 HIS CD2 C 13 117.3 . . 1 . . . . . . . . 4242 1 298 . 1 1 30 30 HIS CE1 C 13 135.3 . . 1 . . . . . . . . 4242 1 299 . 1 1 30 30 HIS N N 15 124.3 . . 1 . . . . . . . . 4242 1 300 . 1 1 31 31 ILE H H 1 8.79 . . 1 . . . . . . . . 4242 1 301 . 1 1 31 31 ILE HA H 1 4.87 . . 1 . . . . . . . . 4242 1 302 . 1 1 31 31 ILE HB H 1 1.75 . . 1 . . . . . . . . 4242 1 303 . 1 1 31 31 ILE HG12 H 1 1.39 . . 2 . . . . . . . . 4242 1 304 . 1 1 31 31 ILE HG13 H 1 0.93 . . 2 . . . . . . . . 4242 1 305 . 1 1 31 31 ILE HG21 H 1 0.64 . . 1 . . . . . . . . 4242 1 306 . 1 1 31 31 ILE HG22 H 1 0.64 . . 1 . . . . . . . . 4242 1 307 . 1 1 31 31 ILE HG23 H 1 0.64 . . 1 . . . . . . . . 4242 1 308 . 1 1 31 31 ILE HD11 H 1 0.63 . . 1 . . . . . . . . 4242 1 309 . 1 1 31 31 ILE HD12 H 1 0.63 . . 1 . . . . . . . . 4242 1 310 . 1 1 31 31 ILE HD13 H 1 0.63 . . 1 . . . . . . . . 4242 1 311 . 1 1 31 31 ILE CA C 13 58.3 . . 1 . . . . . . . . 4242 1 312 . 1 1 31 31 ILE CB C 13 39.9 . . 1 . . . . . . . . 4242 1 313 . 1 1 31 31 ILE CG1 C 13 26.00 . . 1 . . . . . . . . 4242 1 314 . 1 1 31 31 ILE CG2 C 13 15.2 . . 1 . . . . . . . . 4242 1 315 . 1 1 31 31 ILE CD1 C 13 12.6 . . 1 . . . . . . . . 4242 1 316 . 1 1 31 31 ILE N N 15 125.5 . . 1 . . . . . . . . 4242 1 317 . 1 1 32 32 LYS H H 1 9.06 . . 1 . . . . . . . . 4242 1 318 . 1 1 32 32 LYS HA H 1 5.17 . . 1 . . . . . . . . 4242 1 319 . 1 1 32 32 LYS CA C 13 53.3 . . 1 . . . . . . . . 4242 1 320 . 1 1 32 32 LYS N N 15 133.6 . . 1 . . . . . . . . 4242 1 321 . 1 1 33 33 ILE H H 1 8.77 . . 1 . . . . . . . . 4242 1 322 . 1 1 33 33 ILE HA H 1 4.33 . . 1 . . . . . . . . 4242 1 323 . 1 1 33 33 ILE HB H 1 1.06 . . 1 . . . . . . . . 4242 1 324 . 1 1 33 33 ILE HG12 H 1 1.06 . . 2 . . . . . . . . 4242 1 325 . 1 1 33 33 ILE HG13 H 1 0.24 . . 2 . . . . . . . . 4242 1 326 . 1 1 33 33 ILE HG21 H 1 0.04 . . 1 . . . . . . . . 4242 1 327 . 1 1 33 33 ILE HG22 H 1 0.04 . . 1 . . . . . . . . 4242 1 328 . 1 1 33 33 ILE HG23 H 1 0.04 . . 1 . . . . . . . . 4242 1 329 . 1 1 33 33 ILE HD11 H 1 -0.27 . . 1 . . . . . . . . 4242 1 330 . 1 1 33 33 ILE HD12 H 1 -0.27 . . 1 . . . . . . . . 4242 1 331 . 1 1 33 33 ILE HD13 H 1 -0.27 . . 1 . . . . . . . . 4242 1 332 . 1 1 33 33 ILE CA C 13 59.00 . . 1 . . . . . . . . 4242 1 333 . 1 1 33 33 ILE CB C 13 38.3 . . 1 . . . . . . . . 4242 1 334 . 1 1 33 33 ILE CG1 C 13 25.6 . . 1 . . . . . . . . 4242 1 335 . 1 1 33 33 ILE CG2 C 13 15.2 . . 1 . . . . . . . . 4242 1 336 . 1 1 33 33 ILE CD1 C 13 11.3 . . 1 . . . . . . . . 4242 1 337 . 1 1 33 33 ILE N N 15 134.6 . . 1 . . . . . . . . 4242 1 338 . 1 1 34 34 THR H H 1 8.47 . . 1 . . . . . . . . 4242 1 339 . 1 1 34 34 THR HA H 1 4.85 . . 1 . . . . . . . . 4242 1 340 . 1 1 34 34 THR HB H 1 3.63 . . 1 . . . . . . . . 4242 1 341 . 1 1 34 34 THR HG21 H 1 0.82 . . 1 . . . . . . . . 4242 1 342 . 1 1 34 34 THR HG22 H 1 0.82 . . 1 . . . . . . . . 4242 1 343 . 1 1 34 34 THR HG23 H 1 0.82 . . 1 . . . . . . . . 4242 1 344 . 1 1 34 34 THR CA C 13 59.5 . . 1 . . . . . . . . 4242 1 345 . 1 1 34 34 THR CB C 13 69.6 . . 1 . . . . . . . . 4242 1 346 . 1 1 34 34 THR CG2 C 13 18.9 . . 1 . . . . . . . . 4242 1 347 . 1 1 34 34 THR N N 15 126.9 . . 1 . . . . . . . . 4242 1 348 . 1 1 35 35 ASN H H 1 8.26 . . 1 . . . . . . . . 4242 1 349 . 1 1 35 35 ASN HA H 1 4.45 . . 1 . . . . . . . . 4242 1 350 . 1 1 35 35 ASN CA C 13 51.1 . . 1 . . . . . . . . 4242 1 351 . 1 1 35 35 ASN N N 15 128.6 . . 1 . . . . . . . . 4242 1 352 . 1 1 36 36 ALA H H 1 7.55 . . 1 . . . . . . . . 4242 1 353 . 1 1 36 36 ALA HA H 1 4.53 . . 1 . . . . . . . . 4242 1 354 . 1 1 36 36 ALA HB1 H 1 1.11 . . 1 . . . . . . . . 4242 1 355 . 1 1 36 36 ALA HB2 H 1 1.11 . . 1 . . . . . . . . 4242 1 356 . 1 1 36 36 ALA HB3 H 1 1.11 . . 1 . . . . . . . . 4242 1 357 . 1 1 36 36 ALA CA C 13 49.9 . . 1 . . . . . . . . 4242 1 358 . 1 1 36 36 ALA CB C 13 17.4 . . 1 . . . . . . . . 4242 1 359 . 1 1 36 36 ALA N N 15 138.5 . . 1 . . . . . . . . 4242 1 360 . 1 1 37 37 GLY H H 1 8.06 . . 1 . . . . . . . . 4242 1 361 . 1 1 37 37 GLY HA2 H 1 4.57 . . 2 . . . . . . . . 4242 1 362 . 1 1 37 37 GLY HA3 H 1 4.04 . . 2 . . . . . . . . 4242 1 363 . 1 1 37 37 GLY CA C 13 42.6 . . 1 . . . . . . . . 4242 1 364 . 1 1 37 37 GLY N N 15 115.3 . . 1 . . . . . . . . 4242 1 365 . 1 1 38 38 GLY H H 1 8.44 . . 1 . . . . . . . . 4242 1 366 . 1 1 38 38 GLY HA2 H 1 4.28 . . 2 . . . . . . . . 4242 1 367 . 1 1 38 38 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 4242 1 368 . 1 1 38 38 GLY CA C 13 43.5 . . 1 . . . . . . . . 4242 1 369 . 1 1 38 38 GLY N N 15 109.9 . . 1 . . . . . . . . 4242 1 370 . 1 1 39 39 ARG H H 1 7.41 . . 1 . . . . . . . . 4242 1 371 . 1 1 39 39 ARG HA H 1 4.69 . . 1 . . . . . . . . 4242 1 372 . 1 1 39 39 ARG HB2 H 1 1.93 . . 2 . . . . . . . . 4242 1 373 . 1 1 39 39 ARG HB3 H 1 1.65 . . 2 . . . . . . . . 4242 1 374 . 1 1 39 39 ARG HG2 H 1 1.57 . . 1 . . . . . . . . 4242 1 375 . 1 1 39 39 ARG HG3 H 1 1.57 . . 1 . . . . . . . . 4242 1 376 . 1 1 39 39 ARG HD2 H 1 3.13 . . 1 . . . . . . . . 4242 1 377 . 1 1 39 39 ARG HD3 H 1 3.13 . . 1 . . . . . . . . 4242 1 378 . 1 1 39 39 ARG HE H 1 7.33 . . 1 . . . . . . . . 4242 1 379 . 1 1 39 39 ARG CA C 13 51.9 . . 1 . . . . . . . . 4242 1 380 . 1 1 39 39 ARG CB C 13 32.2 . . 1 . . . . . . . . 4242 1 381 . 1 1 39 39 ARG CG C 13 25.1 . . 1 . . . . . . . . 4242 1 382 . 1 1 39 39 ARG CD C 13 42.00 . . 1 . . . . . . . . 4242 1 383 . 1 1 39 39 ARG N N 15 123.7 . . 1 . . . . . . . . 4242 1 384 . 1 1 39 39 ARG NE N 15 91.7 . . 1 . . . . . . . . 4242 1 385 . 1 1 40 40 ARG H H 1 8.56 . . 1 . . . . . . . . 4242 1 386 . 1 1 40 40 ARG HA H 1 4.51 . . 1 . . . . . . . . 4242 1 387 . 1 1 40 40 ARG HB2 H 1 2.07 . . 2 . . . . . . . . 4242 1 388 . 1 1 40 40 ARG HB3 H 1 1.68 . . 2 . . . . . . . . 4242 1 389 . 1 1 40 40 ARG HG2 H 1 1.32 . . 1 . . . . . . . . 4242 1 390 . 1 1 40 40 ARG HG3 H 1 1.32 . . 1 . . . . . . . . 4242 1 391 . 1 1 40 40 ARG HD2 H 1 2.97 . . 1 . . . . . . . . 4242 1 392 . 1 1 40 40 ARG HD3 H 1 2.97 . . 1 . . . . . . . . 4242 1 393 . 1 1 40 40 ARG HE H 1 8.18 . . 1 . . . . . . . . 4242 1 394 . 1 1 40 40 ARG CA C 13 55.5 . . 1 . . . . . . . . 4242 1 395 . 1 1 40 40 ARG CB C 13 30.2 . . 1 . . . . . . . . 4242 1 396 . 1 1 40 40 ARG CG C 13 25.7 . . 1 . . . . . . . . 4242 1 397 . 1 1 40 40 ARG CD C 13 42.5 . . 1 . . . . . . . . 4242 1 398 . 1 1 40 40 ARG N N 15 129.3 . . 1 . . . . . . . . 4242 1 399 . 1 1 40 40 ARG NE N 15 91.6 . . 1 . . . . . . . . 4242 1 400 . 1 1 41 41 ILE H H 1 8.58 . . 1 . . . . . . . . 4242 1 401 . 1 1 41 41 ILE HA H 1 5.62 . . 1 . . . . . . . . 4242 1 402 . 1 1 41 41 ILE HB H 1 2.28 . . 1 . . . . . . . . 4242 1 403 . 1 1 41 41 ILE HG21 H 1 1.23 . . 1 . . . . . . . . 4242 1 404 . 1 1 41 41 ILE HG22 H 1 1.23 . . 1 . . . . . . . . 4242 1 405 . 1 1 41 41 ILE HG23 H 1 1.23 . . 1 . . . . . . . . 4242 1 406 . 1 1 41 41 ILE HD11 H 1 0.66 . . 1 . . . . . . . . 4242 1 407 . 1 1 41 41 ILE HD12 H 1 0.66 . . 1 . . . . . . . . 4242 1 408 . 1 1 41 41 ILE HD13 H 1 0.66 . . 1 . . . . . . . . 4242 1 409 . 1 1 41 41 ILE CA C 13 57.9 . . 1 . . . . . . . . 4242 1 410 . 1 1 41 41 ILE CB C 13 41.1 . . 1 . . . . . . . . 4242 1 411 . 1 1 41 41 ILE CG2 C 13 15.9 . . 1 . . . . . . . . 4242 1 412 . 1 1 41 41 ILE CD1 C 13 13.00 . . 1 . . . . . . . . 4242 1 413 . 1 1 41 41 ILE N N 15 124.6 . . 1 . . . . . . . . 4242 1 414 . 1 1 42 42 GLY H H 1 9.2 . . 1 . . . . . . . . 4242 1 415 . 1 1 42 42 GLY HA2 H 1 5.78 . . 2 . . . . . . . . 4242 1 416 . 1 1 42 42 GLY HA3 H 1 3.83 . . 2 . . . . . . . . 4242 1 417 . 1 1 42 42 GLY CA C 13 43.1 . . 1 . . . . . . . . 4242 1 418 . 1 1 42 42 GLY N N 15 114.8 . . 1 . . . . . . . . 4242 1 419 . 1 1 43 43 TRP H H 1 9.17 . . 1 . . . . . . . . 4242 1 420 . 1 1 43 43 TRP HA H 1 6.5 . . 1 . . . . . . . . 4242 1 421 . 1 1 43 43 TRP HB2 H 1 3.44 . . 2 . . . . . . . . 4242 1 422 . 1 1 43 43 TRP HB3 H 1 2.82 . . 2 . . . . . . . . 4242 1 423 . 1 1 43 43 TRP HD1 H 1 6.5 . . 1 . . . . . . . . 4242 1 424 . 1 1 43 43 TRP HE1 H 1 9.71 . . 1 . . . . . . . . 4242 1 425 . 1 1 43 43 TRP HE3 H 1 6.98 . . 1 . . . . . . . . 4242 1 426 . 1 1 43 43 TRP HZ2 H 1 6.88 . . 1 . . . . . . . . 4242 1 427 . 1 1 43 43 TRP HZ3 H 1 6.7 . . 1 . . . . . . . . 4242 1 428 . 1 1 43 43 TRP HH2 H 1 6.88 . . 1 . . . . . . . . 4242 1 429 . 1 1 43 43 TRP CA C 13 52.9 . . 1 . . . . . . . . 4242 1 430 . 1 1 43 43 TRP CB C 13 30.9 . . 1 . . . . . . . . 4242 1 431 . 1 1 43 43 TRP CD1 C 13 123.8 . . 1 . . . . . . . . 4242 1 432 . 1 1 43 43 TRP CE3 C 13 117.7 . . 1 . . . . . . . . 4242 1 433 . 1 1 43 43 TRP CZ2 C 13 112.3 . . 1 . . . . . . . . 4242 1 434 . 1 1 43 43 TRP CZ3 C 13 120.8 . . 1 . . . . . . . . 4242 1 435 . 1 1 43 43 TRP CH2 C 13 123.5 . . 1 . . . . . . . . 4242 1 436 . 1 1 43 43 TRP N N 15 128.8 . . 1 . . . . . . . . 4242 1 437 . 1 1 43 43 TRP NE1 N 15 132.6 . . 1 . . . . . . . . 4242 1 438 . 1 1 44 44 ALA H H 1 9.6 . . 1 . . . . . . . . 4242 1 439 . 1 1 44 44 ALA HA H 1 4.52 . . 1 . . . . . . . . 4242 1 440 . 1 1 44 44 ALA HB1 H 1 1.11 . . 1 . . . . . . . . 4242 1 441 . 1 1 44 44 ALA HB2 H 1 1.11 . . 1 . . . . . . . . 4242 1 442 . 1 1 44 44 ALA HB3 H 1 1.11 . . 1 . . . . . . . . 4242 1 443 . 1 1 44 44 ALA CA C 13 50.00 . . 1 . . . . . . . . 4242 1 444 . 1 1 44 44 ALA CB C 13 21.7 . . 1 . . . . . . . . 4242 1 445 . 1 1 44 44 ALA N N 15 127.2 . . 1 . . . . . . . . 4242 1 446 . 1 1 45 45 ILE H H 1 8.02 . . 1 . . . . . . . . 4242 1 447 . 1 1 45 45 ILE HA H 1 5.54 . . 1 . . . . . . . . 4242 1 448 . 1 1 45 45 ILE HB H 1 1.9 . . 1 . . . . . . . . 4242 1 449 . 1 1 45 45 ILE HG12 H 1 1.8 . . 2 . . . . . . . . 4242 1 450 . 1 1 45 45 ILE HG13 H 1 1.51 . . 2 . . . . . . . . 4242 1 451 . 1 1 45 45 ILE HG21 H 1 0.99 . . 1 . . . . . . . . 4242 1 452 . 1 1 45 45 ILE HG22 H 1 0.99 . . 1 . . . . . . . . 4242 1 453 . 1 1 45 45 ILE HG23 H 1 0.99 . . 1 . . . . . . . . 4242 1 454 . 1 1 45 45 ILE HD11 H 1 0.82 . . 1 . . . . . . . . 4242 1 455 . 1 1 45 45 ILE HD12 H 1 0.82 . . 1 . . . . . . . . 4242 1 456 . 1 1 45 45 ILE HD13 H 1 0.82 . . 1 . . . . . . . . 4242 1 457 . 1 1 45 45 ILE CA C 13 56.6 . . 1 . . . . . . . . 4242 1 458 . 1 1 45 45 ILE CB C 13 39.3 . . 1 . . . . . . . . 4242 1 459 . 1 1 45 45 ILE CG1 C 13 26.7 . . 1 . . . . . . . . 4242 1 460 . 1 1 45 45 ILE CG2 C 13 17.7 . . 1 . . . . . . . . 4242 1 461 . 1 1 45 45 ILE CD1 C 13 12.2 . . 1 . . . . . . . . 4242 1 462 . 1 1 45 45 ILE N N 15 125.8 . . 1 . . . . . . . . 4242 1 463 . 1 1 46 46 LYS H H 1 8.9 . . 1 . . . . . . . . 4242 1 464 . 1 1 46 46 LYS HA H 1 4.79 . . 1 . . . . . . . . 4242 1 465 . 1 1 46 46 LYS HB2 H 1 1.92 . . 2 . . . . . . . . 4242 1 466 . 1 1 46 46 LYS HB3 H 1 1.69 . . 2 . . . . . . . . 4242 1 467 . 1 1 46 46 LYS HG2 H 1 1.38 . . 1 . . . . . . . . 4242 1 468 . 1 1 46 46 LYS HG3 H 1 1.38 . . 1 . . . . . . . . 4242 1 469 . 1 1 46 46 LYS HE2 H 1 2.91 . . 1 . . . . . . . . 4242 1 470 . 1 1 46 46 LYS HE3 H 1 2.91 . . 1 . . . . . . . . 4242 1 471 . 1 1 46 46 LYS CA C 13 53.3 . . 1 . . . . . . . . 4242 1 472 . 1 1 46 46 LYS CB C 13 34.6 . . 1 . . . . . . . . 4242 1 473 . 1 1 46 46 LYS CG C 13 22.8 . . 1 . . . . . . . . 4242 1 474 . 1 1 46 46 LYS CE C 13 40.9 . . 1 . . . . . . . . 4242 1 475 . 1 1 46 46 LYS N N 15 131.8 . . 1 . . . . . . . . 4242 1 476 . 1 1 47 47 THR H H 1 8.53 . . 1 . . . . . . . . 4242 1 477 . 1 1 47 47 THR HA H 1 5.37 . . 1 . . . . . . . . 4242 1 478 . 1 1 47 47 THR HB H 1 4.19 . . 1 . . . . . . . . 4242 1 479 . 1 1 47 47 THR HG21 H 1 1.08 . . 1 . . . . . . . . 4242 1 480 . 1 1 47 47 THR HG22 H 1 1.08 . . 1 . . . . . . . . 4242 1 481 . 1 1 47 47 THR HG23 H 1 1.08 . . 1 . . . . . . . . 4242 1 482 . 1 1 47 47 THR CA C 13 58.3 . . 1 . . . . . . . . 4242 1 483 . 1 1 47 47 THR CB C 13 69.6 . . 1 . . . . . . . . 4242 1 484 . 1 1 47 47 THR CG2 C 13 19.1 . . 1 . . . . . . . . 4242 1 485 . 1 1 47 47 THR N N 15 119.2 . . 1 . . . . . . . . 4242 1 486 . 1 1 48 48 THR H H 1 7.63 . . 1 . . . . . . . . 4242 1 487 . 1 1 48 48 THR HA H 1 4.38 . . 1 . . . . . . . . 4242 1 488 . 1 1 48 48 THR HB H 1 4.68 . . 1 . . . . . . . . 4242 1 489 . 1 1 48 48 THR HG21 H 1 1.36 . . 1 . . . . . . . . 4242 1 490 . 1 1 48 48 THR HG22 H 1 1.36 . . 1 . . . . . . . . 4242 1 491 . 1 1 48 48 THR HG23 H 1 1.36 . . 1 . . . . . . . . 4242 1 492 . 1 1 48 48 THR CA C 13 60.4 . . 1 . . . . . . . . 4242 1 493 . 1 1 48 48 THR CB C 13 67.9 . . 1 . . . . . . . . 4242 1 494 . 1 1 48 48 THR CG2 C 13 21.6 . . 1 . . . . . . . . 4242 1 495 . 1 1 48 48 THR N N 15 115.3 . . 1 . . . . . . . . 4242 1 496 . 1 1 49 49 ASN H H 1 8.00 . . 1 . . . . . . . . 4242 1 497 . 1 1 49 49 ASN HA H 1 4.75 . . 1 . . . . . . . . 4242 1 498 . 1 1 49 49 ASN HB2 H 1 2.81 . . 2 . . . . . . . . 4242 1 499 . 1 1 49 49 ASN HB3 H 1 2.61 . . 2 . . . . . . . . 4242 1 500 . 1 1 49 49 ASN HD21 H 1 8.46 . . 1 . . . . . . . . 4242 1 501 . 1 1 49 49 ASN HD22 H 1 6.54 . . 1 . . . . . . . . 4242 1 502 . 1 1 49 49 ASN CA C 13 51.3 . . 1 . . . . . . . . 4242 1 503 . 1 1 49 49 ASN CB C 13 36.8 . . 1 . . . . . . . . 4242 1 504 . 1 1 49 49 ASN N N 15 125.8 . . 1 . . . . . . . . 4242 1 505 . 1 1 49 49 ASN ND2 N 15 120.5 . . 1 . . . . . . . . 4242 1 506 . 1 1 50 50 MET H H 1 8.64 . . 1 . . . . . . . . 4242 1 507 . 1 1 50 50 MET HA H 1 4.49 . . 1 . . . . . . . . 4242 1 508 . 1 1 50 50 MET HB2 H 1 2.21 . . 1 . . . . . . . . 4242 1 509 . 1 1 50 50 MET HB3 H 1 2.05 . . 1 . . . . . . . . 4242 1 510 . 1 1 50 50 MET HG2 H 1 2.63 . . 1 . . . . . . . . 4242 1 511 . 1 1 50 50 MET HG3 H 1 2.63 . . 1 . . . . . . . . 4242 1 512 . 1 1 50 50 MET HE1 H 1 2.18 . . 1 . . . . . . . . 4242 1 513 . 1 1 50 50 MET HE2 H 1 2.18 . . 1 . . . . . . . . 4242 1 514 . 1 1 50 50 MET HE3 H 1 2.18 . . 1 . . . . . . . . 4242 1 515 . 1 1 50 50 MET CA C 13 55.6 . . 1 . . . . . . . . 4242 1 516 . 1 1 50 50 MET CB C 13 30.8 . . 1 . . . . . . . . 4242 1 517 . 1 1 50 50 MET CG C 13 30.6 . . 1 . . . . . . . . 4242 1 518 . 1 1 50 50 MET CE C 13 15.2 . . 1 . . . . . . . . 4242 1 519 . 1 1 50 50 MET N N 15 128.7 . . 1 . . . . . . . . 4242 1 520 . 1 1 51 51 ARG H H 1 8.02 . . 1 . . . . . . . . 4242 1 521 . 1 1 51 51 ARG HA H 1 4.24 . . 1 . . . . . . . . 4242 1 522 . 1 1 51 51 ARG HB2 H 1 1.87 . . 2 . . . . . . . . 4242 1 523 . 1 1 51 51 ARG HB3 H 1 1.85 . . 2 . . . . . . . . 4242 1 524 . 1 1 51 51 ARG HG2 H 1 1.65 . . 2 . . . . . . . . 4242 1 525 . 1 1 51 51 ARG HG3 H 1 1.57 . . 2 . . . . . . . . 4242 1 526 . 1 1 51 51 ARG HD2 H 1 3.18 . . 1 . . . . . . . . 4242 1 527 . 1 1 51 51 ARG HD3 H 1 3.18 . . 1 . . . . . . . . 4242 1 528 . 1 1 51 51 ARG CA C 13 56.2 . . 1 . . . . . . . . 4242 1 529 . 1 1 51 51 ARG CB C 13 28.7 . . 1 . . . . . . . . 4242 1 530 . 1 1 51 51 ARG CG C 13 25.8 . . 1 . . . . . . . . 4242 1 531 . 1 1 51 51 ARG CD C 13 41.4 . . 1 . . . . . . . . 4242 1 532 . 1 1 51 51 ARG N N 15 124.9 . . 1 . . . . . . . . 4242 1 533 . 1 1 52 52 ARG H H 1 7.48 . . 1 . . . . . . . . 4242 1 534 . 1 1 52 52 ARG HA H 1 4.29 . . 1 . . . . . . . . 4242 1 535 . 1 1 52 52 ARG HB2 H 1 1.64 . . 2 . . . . . . . . 4242 1 536 . 1 1 52 52 ARG HB3 H 1 1.38 . . 2 . . . . . . . . 4242 1 537 . 1 1 52 52 ARG HG2 H 1 1.59 . . 2 . . . . . . . . 4242 1 538 . 1 1 52 52 ARG HG3 H 1 1.26 . . 2 . . . . . . . . 4242 1 539 . 1 1 52 52 ARG HD2 H 1 2.55 . . 2 . . . . . . . . 4242 1 540 . 1 1 52 52 ARG HD3 H 1 2.29 . . 2 . . . . . . . . 4242 1 541 . 1 1 52 52 ARG HE H 1 6.53 . . 1 . . . . . . . . 4242 1 542 . 1 1 52 52 ARG CA C 13 55.7 . . 1 . . . . . . . . 4242 1 543 . 1 1 52 52 ARG CB C 13 32.00 . . 1 . . . . . . . . 4242 1 544 . 1 1 52 52 ARG CG C 13 25.6 . . 1 . . . . . . . . 4242 1 545 . 1 1 52 52 ARG CD C 13 42.4 . . 1 . . . . . . . . 4242 1 546 . 1 1 52 52 ARG N N 15 124.2 . . 1 . . . . . . . . 4242 1 547 . 1 1 52 52 ARG NE N 15 90.4 . . 1 . . . . . . . . 4242 1 548 . 1 1 53 53 LEU H H 1 7.78 . . 1 . . . . . . . . 4242 1 549 . 1 1 53 53 LEU HA H 1 5.5 . . 1 . . . . . . . . 4242 1 550 . 1 1 53 53 LEU HB2 H 1 2.02 . . 2 . . . . . . . . 4242 1 551 . 1 1 53 53 LEU HB3 H 1 1.06 . . 2 . . . . . . . . 4242 1 552 . 1 1 53 53 LEU HG H 1 1.57 . . 1 . . . . . . . . 4242 1 553 . 1 1 53 53 LEU HD11 H 1 0.78 . . 2 . . . . . . . . 4242 1 554 . 1 1 53 53 LEU HD12 H 1 0.78 . . 2 . . . . . . . . 4242 1 555 . 1 1 53 53 LEU HD13 H 1 0.78 . . 2 . . . . . . . . 4242 1 556 . 1 1 53 53 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 4242 1 557 . 1 1 53 53 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 4242 1 558 . 1 1 53 53 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 4242 1 559 . 1 1 53 53 LEU CA C 13 51.7 . . 1 . . . . . . . . 4242 1 560 . 1 1 53 53 LEU CB C 13 43.1 . . 1 . . . . . . . . 4242 1 561 . 1 1 53 53 LEU CG C 13 25.9 . . 1 . . . . . . . . 4242 1 562 . 1 1 53 53 LEU CD1 C 13 24.3 . . 2 . . . . . . . . 4242 1 563 . 1 1 53 53 LEU CD2 C 13 22.3 . . 2 . . . . . . . . 4242 1 564 . 1 1 53 53 LEU N N 15 125.3 . . 1 . . . . . . . . 4242 1 565 . 1 1 54 54 SER H H 1 8.33 . . 1 . . . . . . . . 4242 1 566 . 1 1 54 54 SER HA H 1 4.75 . . 1 . . . . . . . . 4242 1 567 . 1 1 54 54 SER HB2 H 1 3.81 . . 2 . . . . . . . . 4242 1 568 . 1 1 54 54 SER HB3 H 1 3.76 . . 2 . . . . . . . . 4242 1 569 . 1 1 54 54 SER CA C 13 55.5 . . 1 . . . . . . . . 4242 1 570 . 1 1 54 54 SER CB C 13 63.9 . . 1 . . . . . . . . 4242 1 571 . 1 1 54 54 SER N N 15 121.8 . . 1 . . . . . . . . 4242 1 572 . 1 1 55 55 VAL H H 1 8.34 . . 1 . . . . . . . . 4242 1 573 . 1 1 55 55 VAL HA H 1 5.34 . . 1 . . . . . . . . 4242 1 574 . 1 1 55 55 VAL HB H 1 2.05 . . 1 . . . . . . . . 4242 1 575 . 1 1 55 55 VAL HG11 H 1 0.92 . . 2 . . . . . . . . 4242 1 576 . 1 1 55 55 VAL HG12 H 1 0.92 . . 2 . . . . . . . . 4242 1 577 . 1 1 55 55 VAL HG13 H 1 0.92 . . 2 . . . . . . . . 4242 1 578 . 1 1 55 55 VAL HG21 H 1 0.85 . . 2 . . . . . . . . 4242 1 579 . 1 1 55 55 VAL HG22 H 1 0.85 . . 2 . . . . . . . . 4242 1 580 . 1 1 55 55 VAL HG23 H 1 0.85 . . 2 . . . . . . . . 4242 1 581 . 1 1 55 55 VAL CA C 13 58.4 . . 1 . . . . . . . . 4242 1 582 . 1 1 55 55 VAL CB C 13 33.5 . . 1 . . . . . . . . 4242 1 583 . 1 1 55 55 VAL CG1 C 13 21.00 . . 2 . . . . . . . . 4242 1 584 . 1 1 55 55 VAL CG2 C 13 20.00 . . 2 . . . . . . . . 4242 1 585 . 1 1 55 55 VAL N N 15 125.9 . . 1 . . . . . . . . 4242 1 586 . 1 1 56 56 ASP H H 1 8.66 . . 1 . . . . . . . . 4242 1 587 . 1 1 56 56 ASP HA H 1 4.96 . . 1 . . . . . . . . 4242 1 588 . 1 1 56 56 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 4242 1 589 . 1 1 56 56 ASP HB3 H 1 2.61 . . 2 . . . . . . . . 4242 1 590 . 1 1 56 56 ASP CA C 13 50.1 . . 1 . . . . . . . . 4242 1 591 . 1 1 56 56 ASP CB C 13 43.8 . . 1 . . . . . . . . 4242 1 592 . 1 1 56 56 ASP N N 15 129.6 . . 1 . . . . . . . . 4242 1 593 . 1 1 57 57 PRO HA H 1 5.57 . . 1 . . . . . . . . 4242 1 594 . 1 1 57 57 PRO HB2 H 1 2.75 . . 2 . . . . . . . . 4242 1 595 . 1 1 57 57 PRO HB3 H 1 2.36 . . 2 . . . . . . . . 4242 1 596 . 1 1 57 57 PRO HG2 H 1 2.3 . . 2 . . . . . . . . 4242 1 597 . 1 1 57 57 PRO HG3 H 1 2.28 . . 2 . . . . . . . . 4242 1 598 . 1 1 57 57 PRO HD2 H 1 3.92 . . 2 . . . . . . . . 4242 1 599 . 1 1 57 57 PRO HD3 H 1 3.84 . . 2 . . . . . . . . 4242 1 600 . 1 1 57 57 PRO CA C 13 60.8 . . 1 . . . . . . . . 4242 1 601 . 1 1 57 57 PRO CB C 13 32.1 . . 1 . . . . . . . . 4242 1 602 . 1 1 57 57 PRO CG C 13 23.5 . . 1 . . . . . . . . 4242 1 603 . 1 1 57 57 PRO CD C 13 48.7 . . 1 . . . . . . . . 4242 1 604 . 1 1 58 58 PRO HA H 1 4.57 . . 1 . . . . . . . . 4242 1 605 . 1 1 58 58 PRO HD2 H 1 3.88 . . 1 . . . . . . . . 4242 1 606 . 1 1 58 58 PRO HD3 H 1 3.88 . . 1 . . . . . . . . 4242 1 607 . 1 1 58 58 PRO CA C 13 61.4 . . 1 . . . . . . . . 4242 1 608 . 1 1 58 58 PRO CD C 13 48.2 . . 1 . . . . . . . . 4242 1 609 . 1 1 59 59 CYS H H 1 6.86 . . 1 . . . . . . . . 4242 1 610 . 1 1 59 59 CYS HA H 1 3.5 . . 1 . . . . . . . . 4242 1 611 . 1 1 59 59 CYS HB2 H 1 2.4 . . 1 . . . . . . . . 4242 1 612 . 1 1 59 59 CYS HB3 H 1 2.4 . . 1 . . . . . . . . 4242 1 613 . 1 1 59 59 CYS CA C 13 52.6 . . 1 . . . . . . . . 4242 1 614 . 1 1 59 59 CYS CB C 13 26.9 . . 1 . . . . . . . . 4242 1 615 . 1 1 59 59 CYS N N 15 120.2 . . 1 . . . . . . . . 4242 1 616 . 1 1 60 60 GLY H H 1 7.09 . . 1 . . . . . . . . 4242 1 617 . 1 1 60 60 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 4242 1 618 . 1 1 60 60 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 4242 1 619 . 1 1 60 60 GLY CA C 13 43.8 . . 1 . . . . . . . . 4242 1 620 . 1 1 60 60 GLY N N 15 111.5 . . 1 . . . . . . . . 4242 1 621 . 1 1 61 61 VAL H H 1 8.31 . . 1 . . . . . . . . 4242 1 622 . 1 1 61 61 VAL HA H 1 5.55 . . 1 . . . . . . . . 4242 1 623 . 1 1 61 61 VAL HB H 1 1.97 . . 1 . . . . . . . . 4242 1 624 . 1 1 61 61 VAL HG11 H 1 1.08 . . 2 . . . . . . . . 4242 1 625 . 1 1 61 61 VAL HG12 H 1 1.08 . . 2 . . . . . . . . 4242 1 626 . 1 1 61 61 VAL HG13 H 1 1.08 . . 2 . . . . . . . . 4242 1 627 . 1 1 61 61 VAL HG21 H 1 1.22 . . 2 . . . . . . . . 4242 1 628 . 1 1 61 61 VAL HG22 H 1 1.22 . . 2 . . . . . . . . 4242 1 629 . 1 1 61 61 VAL HG23 H 1 1.22 . . 2 . . . . . . . . 4242 1 630 . 1 1 61 61 VAL CA C 13 59.00 . . 1 . . . . . . . . 4242 1 631 . 1 1 61 61 VAL CB C 13 34.2 . . 1 . . . . . . . . 4242 1 632 . 1 1 61 61 VAL CG1 C 13 21.4 . . 2 . . . . . . . . 4242 1 633 . 1 1 61 61 VAL CG2 C 13 20.5 . . 2 . . . . . . . . 4242 1 634 . 1 1 61 61 VAL N N 15 125.3 . . 1 . . . . . . . . 4242 1 635 . 1 1 62 62 LEU H H 1 9.23 . . 1 . . . . . . . . 4242 1 636 . 1 1 62 62 LEU HA H 1 5.14 . . 1 . . . . . . . . 4242 1 637 . 1 1 62 62 LEU HB2 H 1 1.64 . . 1 . . . . . . . . 4242 1 638 . 1 1 62 62 LEU HB3 H 1 1.64 . . 1 . . . . . . . . 4242 1 639 . 1 1 62 62 LEU HG H 1 1.62 . . 1 . . . . . . . . 4242 1 640 . 1 1 62 62 LEU HD11 H 1 0.48 . . 2 . . . . . . . . 4242 1 641 . 1 1 62 62 LEU HD12 H 1 0.48 . . 2 . . . . . . . . 4242 1 642 . 1 1 62 62 LEU HD13 H 1 0.48 . . 2 . . . . . . . . 4242 1 643 . 1 1 62 62 LEU HD21 H 1 0.79 . . 2 . . . . . . . . 4242 1 644 . 1 1 62 62 LEU HD22 H 1 0.79 . . 2 . . . . . . . . 4242 1 645 . 1 1 62 62 LEU HD23 H 1 0.79 . . 2 . . . . . . . . 4242 1 646 . 1 1 62 62 LEU CA C 13 51.5 . . 1 . . . . . . . . 4242 1 647 . 1 1 62 62 LEU CB C 13 46.5 . . 1 . . . . . . . . 4242 1 648 . 1 1 62 62 LEU CG C 13 25.1 . . 1 . . . . . . . . 4242 1 649 . 1 1 62 62 LEU CD1 C 13 24.00 . . 2 . . . . . . . . 4242 1 650 . 1 1 62 62 LEU CD2 C 13 22.1 . . 2 . . . . . . . . 4242 1 651 . 1 1 62 62 LEU N N 15 131.7 . . 1 . . . . . . . . 4242 1 652 . 1 1 63 63 ASP H H 1 9.97 . . 1 . . . . . . . . 4242 1 653 . 1 1 63 63 ASP HA H 1 5.05 . . 1 . . . . . . . . 4242 1 654 . 1 1 63 63 ASP CA C 13 53.1 . . 1 . . . . . . . . 4242 1 655 . 1 1 63 63 ASP N N 15 134.5 . . 1 . . . . . . . . 4242 1 656 . 1 1 64 64 PRO HA H 1 3.87 . . 1 . . . . . . . . 4242 1 657 . 1 1 64 64 PRO HB2 H 1 2.46 . . 2 . . . . . . . . 4242 1 658 . 1 1 64 64 PRO HB3 H 1 1.8 . . 2 . . . . . . . . 4242 1 659 . 1 1 64 64 PRO HD2 H 1 3.58 . . 2 . . . . . . . . 4242 1 660 . 1 1 64 64 PRO HD3 H 1 3.34 . . 2 . . . . . . . . 4242 1 661 . 1 1 64 64 PRO CA C 13 64.3 . . 1 . . . . . . . . 4242 1 662 . 1 1 64 64 PRO CB C 13 29.8 . . 1 . . . . . . . . 4242 1 663 . 1 1 64 64 PRO CD C 13 49.3 . . 1 . . . . . . . . 4242 1 664 . 1 1 65 65 LYS H H 1 8.49 . . 1 . . . . . . . . 4242 1 665 . 1 1 65 65 LYS HA H 1 3.74 . . 1 . . . . . . . . 4242 1 666 . 1 1 65 65 LYS HB2 H 1 2.27 . . 2 . . . . . . . . 4242 1 667 . 1 1 65 65 LYS HB3 H 1 1.94 . . 2 . . . . . . . . 4242 1 668 . 1 1 65 65 LYS HG2 H 1 1.37 . . 1 . . . . . . . . 4242 1 669 . 1 1 65 65 LYS HG3 H 1 1.37 . . 1 . . . . . . . . 4242 1 670 . 1 1 65 65 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 4242 1 671 . 1 1 65 65 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 4242 1 672 . 1 1 65 65 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 4242 1 673 . 1 1 65 65 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 4242 1 674 . 1 1 65 65 LYS CA C 13 57.4 . . 1 . . . . . . . . 4242 1 675 . 1 1 65 65 LYS CB C 13 28.3 . . 1 . . . . . . . . 4242 1 676 . 1 1 65 65 LYS CG C 13 23.7 . . 1 . . . . . . . . 4242 1 677 . 1 1 65 65 LYS CD C 13 27.8 . . 1 . . . . . . . . 4242 1 678 . 1 1 65 65 LYS CE C 13 40.2 . . 1 . . . . . . . . 4242 1 679 . 1 1 65 65 LYS N N 15 124.8 . . 1 . . . . . . . . 4242 1 680 . 1 1 66 66 GLU H H 1 8.25 . . 1 . . . . . . . . 4242 1 681 . 1 1 66 66 GLU HA H 1 4.26 . . 1 . . . . . . . . 4242 1 682 . 1 1 66 66 GLU HB2 H 1 2.22 . . 2 . . . . . . . . 4242 1 683 . 1 1 66 66 GLU HB3 H 1 1.93 . . 2 . . . . . . . . 4242 1 684 . 1 1 66 66 GLU HG2 H 1 2.51 . . 1 . . . . . . . . 4242 1 685 . 1 1 66 66 GLU HG3 H 1 2.51 . . 1 . . . . . . . . 4242 1 686 . 1 1 66 66 GLU CA C 13 55.3 . . 1 . . . . . . . . 4242 1 687 . 1 1 66 66 GLU CB C 13 29.6 . . 1 . . . . . . . . 4242 1 688 . 1 1 66 66 GLU CG C 13 35.6 . . 1 . . . . . . . . 4242 1 689 . 1 1 66 66 GLU N N 15 129.7 . . 1 . . . . . . . . 4242 1 690 . 1 1 67 67 LYS H H 1 8.07 . . 1 . . . . . . . . 4242 1 691 . 1 1 67 67 LYS HA H 1 5.74 . . 1 . . . . . . . . 4242 1 692 . 1 1 67 67 LYS HB2 H 1 1.64 . . 2 . . . . . . . . 4242 1 693 . 1 1 67 67 LYS HB3 H 1 1.5 . . 2 . . . . . . . . 4242 1 694 . 1 1 67 67 LYS HG2 H 1 1.48 . . 2 . . . . . . . . 4242 1 695 . 1 1 67 67 LYS HG3 H 1 1.28 . . 2 . . . . . . . . 4242 1 696 . 1 1 67 67 LYS HD2 H 1 1.48 . . 1 . . . . . . . . 4242 1 697 . 1 1 67 67 LYS HD3 H 1 1.48 . . 1 . . . . . . . . 4242 1 698 . 1 1 67 67 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 4242 1 699 . 1 1 67 67 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 4242 1 700 . 1 1 67 67 LYS CA C 13 51.7 . . 1 . . . . . . . . 4242 1 701 . 1 1 67 67 LYS CB C 13 35.2 . . 1 . . . . . . . . 4242 1 702 . 1 1 67 67 LYS CG C 13 22.1 . . 1 . . . . . . . . 4242 1 703 . 1 1 67 67 LYS CD C 13 28.3 . . 1 . . . . . . . . 4242 1 704 . 1 1 67 67 LYS CE C 13 40.6 . . 1 . . . . . . . . 4242 1 705 . 1 1 67 67 LYS N N 15 127.6 . . 1 . . . . . . . . 4242 1 706 . 1 1 68 68 VAL H H 1 8.78 . . 1 . . . . . . . . 4242 1 707 . 1 1 68 68 VAL HA H 1 4.47 . . 1 . . . . . . . . 4242 1 708 . 1 1 68 68 VAL HB H 1 2.13 . . 1 . . . . . . . . 4242 1 709 . 1 1 68 68 VAL HG11 H 1 1.07 . . 2 . . . . . . . . 4242 1 710 . 1 1 68 68 VAL HG12 H 1 1.07 . . 2 . . . . . . . . 4242 1 711 . 1 1 68 68 VAL HG13 H 1 1.07 . . 2 . . . . . . . . 4242 1 712 . 1 1 68 68 VAL HG21 H 1 0.59 . . 2 . . . . . . . . 4242 1 713 . 1 1 68 68 VAL HG22 H 1 0.59 . . 2 . . . . . . . . 4242 1 714 . 1 1 68 68 VAL HG23 H 1 0.59 . . 2 . . . . . . . . 4242 1 715 . 1 1 68 68 VAL CA C 13 58.4 . . 1 . . . . . . . . 4242 1 716 . 1 1 68 68 VAL CB C 13 33.8 . . 1 . . . . . . . . 4242 1 717 . 1 1 68 68 VAL CG1 C 13 19.9 . . 2 . . . . . . . . 4242 1 718 . 1 1 68 68 VAL CG2 C 13 18.00 . . 2 . . . . . . . . 4242 1 719 . 1 1 68 68 VAL N N 15 126.5 . . 1 . . . . . . . . 4242 1 720 . 1 1 69 69 LEU H H 1 8.23 . . 1 . . . . . . . . 4242 1 721 . 1 1 69 69 LEU HA H 1 5.00 . . 1 . . . . . . . . 4242 1 722 . 1 1 69 69 LEU HB2 H 1 1.55 . . 2 . . . . . . . . 4242 1 723 . 1 1 69 69 LEU HB3 H 1 1.44 . . 2 . . . . . . . . 4242 1 724 . 1 1 69 69 LEU HG H 1 1.4 . . 1 . . . . . . . . 4242 1 725 . 1 1 69 69 LEU HD11 H 1 0.77 . . 2 . . . . . . . . 4242 1 726 . 1 1 69 69 LEU HD12 H 1 0.77 . . 2 . . . . . . . . 4242 1 727 . 1 1 69 69 LEU HD13 H 1 0.77 . . 2 . . . . . . . . 4242 1 728 . 1 1 69 69 LEU HD21 H 1 0.67 . . 2 . . . . . . . . 4242 1 729 . 1 1 69 69 LEU HD22 H 1 0.67 . . 2 . . . . . . . . 4242 1 730 . 1 1 69 69 LEU HD23 H 1 0.67 . . 2 . . . . . . . . 4242 1 731 . 1 1 69 69 LEU CA C 13 51.7 . . 1 . . . . . . . . 4242 1 732 . 1 1 69 69 LEU CB C 13 41.9 . . 1 . . . . . . . . 4242 1 733 . 1 1 69 69 LEU CG C 13 26.00 . . 1 . . . . . . . . 4242 1 734 . 1 1 69 69 LEU CD1 C 13 23.00 . . 1 . . . . . . . . 4242 1 735 . 1 1 69 69 LEU CD2 C 13 23.00 . . 1 . . . . . . . . 4242 1 736 . 1 1 69 69 LEU N N 15 134.6 . . 1 . . . . . . . . 4242 1 737 . 1 1 70 70 MET H H 1 9.17 . . 1 . . . . . . . . 4242 1 738 . 1 1 70 70 MET HA H 1 4.94 . . 1 . . . . . . . . 4242 1 739 . 1 1 70 70 MET HB2 H 1 1.93 . . 2 . . . . . . . . 4242 1 740 . 1 1 70 70 MET HB3 H 1 1.86 . . 2 . . . . . . . . 4242 1 741 . 1 1 70 70 MET HG2 H 1 2.43 . . 2 . . . . . . . . 4242 1 742 . 1 1 70 70 MET HG3 H 1 2.35 . . 2 . . . . . . . . 4242 1 743 . 1 1 70 70 MET HE1 H 1 1.6 . . 1 . . . . . . . . 4242 1 744 . 1 1 70 70 MET HE2 H 1 1.6 . . 1 . . . . . . . . 4242 1 745 . 1 1 70 70 MET HE3 H 1 1.6 . . 1 . . . . . . . . 4242 1 746 . 1 1 70 70 MET CA C 13 53.00 . . 1 . . . . . . . . 4242 1 747 . 1 1 70 70 MET CB C 13 33.5 . . 1 . . . . . . . . 4242 1 748 . 1 1 70 70 MET CG C 13 29.5 . . 1 . . . . . . . . 4242 1 749 . 1 1 70 70 MET CE C 13 16.00 . . 1 . . . . . . . . 4242 1 750 . 1 1 70 70 MET N N 15 132.7 . . 1 . . . . . . . . 4242 1 751 . 1 1 71 71 ALA H H 1 8.98 . . 1 . . . . . . . . 4242 1 752 . 1 1 71 71 ALA HA H 1 4.81 . . 1 . . . . . . . . 4242 1 753 . 1 1 71 71 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 4242 1 754 . 1 1 71 71 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 4242 1 755 . 1 1 71 71 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 4242 1 756 . 1 1 71 71 ALA CA C 13 49.5 . . 1 . . . . . . . . 4242 1 757 . 1 1 71 71 ALA CB C 13 18.9 . . 1 . . . . . . . . 4242 1 758 . 1 1 71 71 ALA N N 15 134.00 . . 1 . . . . . . . . 4242 1 759 . 1 1 72 72 VAL H H 1 9.04 . . 1 . . . . . . . . 4242 1 760 . 1 1 72 72 VAL HA H 1 4.96 . . 1 . . . . . . . . 4242 1 761 . 1 1 72 72 VAL HB H 1 2.02 . . 1 . . . . . . . . 4242 1 762 . 1 1 72 72 VAL HG11 H 1 0.91 . . 2 . . . . . . . . 4242 1 763 . 1 1 72 72 VAL HG12 H 1 0.91 . . 2 . . . . . . . . 4242 1 764 . 1 1 72 72 VAL HG13 H 1 0.91 . . 2 . . . . . . . . 4242 1 765 . 1 1 72 72 VAL HG21 H 1 0.98 . . 2 . . . . . . . . 4242 1 766 . 1 1 72 72 VAL HG22 H 1 0.98 . . 2 . . . . . . . . 4242 1 767 . 1 1 72 72 VAL HG23 H 1 0.98 . . 2 . . . . . . . . 4242 1 768 . 1 1 72 72 VAL CA C 13 58.9 . . 1 . . . . . . . . 4242 1 769 . 1 1 72 72 VAL CB C 13 33.00 . . 1 . . . . . . . . 4242 1 770 . 1 1 72 72 VAL CG1 C 13 20.5 . . 2 . . . . . . . . 4242 1 771 . 1 1 72 72 VAL CG2 C 13 19.2 . . 2 . . . . . . . . 4242 1 772 . 1 1 72 72 VAL N N 15 131.4 . . 1 . . . . . . . . 4242 1 773 . 1 1 73 73 SER H H 1 9.33 . . 1 . . . . . . . . 4242 1 774 . 1 1 73 73 SER HA H 1 5.51 . . 1 . . . . . . . . 4242 1 775 . 1 1 73 73 SER HB2 H 1 3.68 . . 2 . . . . . . . . 4242 1 776 . 1 1 73 73 SER HB3 H 1 3.61 . . 2 . . . . . . . . 4242 1 777 . 1 1 73 73 SER CA C 13 55.7 . . 1 . . . . . . . . 4242 1 778 . 1 1 73 73 SER CB C 13 63.4 . . 1 . . . . . . . . 4242 1 779 . 1 1 73 73 SER N N 15 129.6 . . 1 . . . . . . . . 4242 1 780 . 1 1 74 74 CYS H H 1 8.86 . . 1 . . . . . . . . 4242 1 781 . 1 1 74 74 CYS HA H 1 5.11 . . 1 . . . . . . . . 4242 1 782 . 1 1 74 74 CYS HB2 H 1 2.76 . . 1 . . . . . . . . 4242 1 783 . 1 1 74 74 CYS HB3 H 1 1.71 . . 1 . . . . . . . . 4242 1 784 . 1 1 74 74 CYS CA C 13 55.2 . . 1 . . . . . . . . 4242 1 785 . 1 1 74 74 CYS CB C 13 26.7 . . 1 . . . . . . . . 4242 1 786 . 1 1 74 74 CYS N N 15 131.6 . . 1 . . . . . . . . 4242 1 787 . 1 1 75 75 ASP H H 1 8.73 . . 1 . . . . . . . . 4242 1 788 . 1 1 75 75 ASP HA H 1 4.71 . . 1 . . . . . . . . 4242 1 789 . 1 1 75 75 ASP HB2 H 1 2.89 . . 2 . . . . . . . . 4242 1 790 . 1 1 75 75 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 4242 1 791 . 1 1 75 75 ASP CA C 13 51.9 . . 1 . . . . . . . . 4242 1 792 . 1 1 75 75 ASP CB C 13 39.9 . . 1 . . . . . . . . 4242 1 793 . 1 1 75 75 ASP N N 15 134.5 . . 1 . . . . . . . . 4242 1 794 . 1 1 76 76 THR H H 1 8.6 . . 1 . . . . . . . . 4242 1 795 . 1 1 76 76 THR HA H 1 4.3 . . 1 . . . . . . . . 4242 1 796 . 1 1 76 76 THR HB H 1 3.94 . . 1 . . . . . . . . 4242 1 797 . 1 1 76 76 THR HG21 H 1 1.06 . . 1 . . . . . . . . 4242 1 798 . 1 1 76 76 THR HG22 H 1 1.06 . . 1 . . . . . . . . 4242 1 799 . 1 1 76 76 THR HG23 H 1 1.06 . . 1 . . . . . . . . 4242 1 800 . 1 1 76 76 THR CA C 13 60.3 . . 1 . . . . . . . . 4242 1 801 . 1 1 76 76 THR CB C 13 68.2 . . 1 . . . . . . . . 4242 1 802 . 1 1 76 76 THR CG2 C 13 19.00 . . 1 . . . . . . . . 4242 1 803 . 1 1 76 76 THR N N 15 118.9 . . 1 . . . . . . . . 4242 1 804 . 1 1 77 77 PHE H H 1 7.81 . . 1 . . . . . . . . 4242 1 805 . 1 1 77 77 PHE HA H 1 4.66 . . 1 . . . . . . . . 4242 1 806 . 1 1 77 77 PHE HB2 H 1 3.1 . . 1 . . . . . . . . 4242 1 807 . 1 1 77 77 PHE HB3 H 1 2.87 . . 1 . . . . . . . . 4242 1 808 . 1 1 77 77 PHE HD1 H 1 6.84 . . 1 . . . . . . . . 4242 1 809 . 1 1 77 77 PHE HD2 H 1 6.84 . . 1 . . . . . . . . 4242 1 810 . 1 1 77 77 PHE HE1 H 1 6.5 . . 1 . . . . . . . . 4242 1 811 . 1 1 77 77 PHE HE2 H 1 6.5 . . 1 . . . . . . . . 4242 1 812 . 1 1 77 77 PHE HZ H 1 5.67 . . 1 . . . . . . . . 4242 1 813 . 1 1 77 77 PHE CA C 13 54.9 . . 1 . . . . . . . . 4242 1 814 . 1 1 77 77 PHE CB C 13 37.6 . . 1 . . . . . . . . 4242 1 815 . 1 1 77 77 PHE CD1 C 13 130.6 . . 1 . . . . . . . . 4242 1 816 . 1 1 77 77 PHE CD2 C 13 130.6 . . 1 . . . . . . . . 4242 1 817 . 1 1 77 77 PHE CE1 C 13 129.00 . . 1 . . . . . . . . 4242 1 818 . 1 1 77 77 PHE CE2 C 13 129.00 . . 1 . . . . . . . . 4242 1 819 . 1 1 77 77 PHE CZ C 13 128.3 . . 1 . . . . . . . . 4242 1 820 . 1 1 77 77 PHE N N 15 125.7 . . 1 . . . . . . . . 4242 1 821 . 1 1 78 78 ASN H H 1 8.54 . . 1 . . . . . . . . 4242 1 822 . 1 1 78 78 ASN HA H 1 4.66 . . 1 . . . . . . . . 4242 1 823 . 1 1 78 78 ASN HB2 H 1 3.24 . . 1 . . . . . . . . 4242 1 824 . 1 1 78 78 ASN HB3 H 1 2.61 . . 1 . . . . . . . . 4242 1 825 . 1 1 78 78 ASN HD21 H 1 7.54 . . 1 . . . . . . . . 4242 1 826 . 1 1 78 78 ASN HD22 H 1 6.98 . . 1 . . . . . . . . 4242 1 827 . 1 1 78 78 ASN CA C 13 49.9 . . 1 . . . . . . . . 4242 1 828 . 1 1 78 78 ASN CB C 13 36.7 . . 1 . . . . . . . . 4242 1 829 . 1 1 78 78 ASN N N 15 125.2 . . 1 . . . . . . . . 4242 1 830 . 1 1 78 78 ASN ND2 N 15 118.9 . . 1 . . . . . . . . 4242 1 831 . 1 1 79 79 ALA H H 1 8.2 . . 1 . . . . . . . . 4242 1 832 . 1 1 79 79 ALA HA H 1 3.87 . . 1 . . . . . . . . 4242 1 833 . 1 1 79 79 ALA HB1 H 1 1.27 . . 1 . . . . . . . . 4242 1 834 . 1 1 79 79 ALA HB2 H 1 1.27 . . 1 . . . . . . . . 4242 1 835 . 1 1 79 79 ALA HB3 H 1 1.27 . . 1 . . . . . . . . 4242 1 836 . 1 1 79 79 ALA CA C 13 52.5 . . 1 . . . . . . . . 4242 1 837 . 1 1 79 79 ALA CB C 13 17.2 . . 1 . . . . . . . . 4242 1 838 . 1 1 79 79 ALA N N 15 134.3 . . 1 . . . . . . . . 4242 1 839 . 1 1 80 80 ALA H H 1 8.05 . . 1 . . . . . . . . 4242 1 840 . 1 1 80 80 ALA HA H 1 4.29 . . 1 . . . . . . . . 4242 1 841 . 1 1 80 80 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 4242 1 842 . 1 1 80 80 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 4242 1 843 . 1 1 80 80 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 4242 1 844 . 1 1 80 80 ALA CA C 13 51.9 . . 1 . . . . . . . . 4242 1 845 . 1 1 80 80 ALA CB C 13 17.5 . . 1 . . . . . . . . 4242 1 846 . 1 1 80 80 ALA N N 15 123.4 . . 1 . . . . . . . . 4242 1 847 . 1 1 81 81 THR H H 1 7.27 . . 1 . . . . . . . . 4242 1 848 . 1 1 81 81 THR HA H 1 4.51 . . 1 . . . . . . . . 4242 1 849 . 1 1 81 81 THR HB H 1 4.37 . . 1 . . . . . . . . 4242 1 850 . 1 1 81 81 THR HG21 H 1 1.06 . . 1 . . . . . . . . 4242 1 851 . 1 1 81 81 THR HG22 H 1 1.06 . . 1 . . . . . . . . 4242 1 852 . 1 1 81 81 THR HG23 H 1 1.06 . . 1 . . . . . . . . 4242 1 853 . 1 1 81 81 THR CA C 13 59.7 . . 1 . . . . . . . . 4242 1 854 . 1 1 81 81 THR CB C 13 68.00 . . 1 . . . . . . . . 4242 1 855 . 1 1 81 81 THR CG2 C 13 19.8 . . 1 . . . . . . . . 4242 1 856 . 1 1 81 81 THR N N 15 112.00 . . 1 . . . . . . . . 4242 1 857 . 1 1 82 82 GLU H H 1 7.27 . . 1 . . . . . . . . 4242 1 858 . 1 1 82 82 GLU HA H 1 4.45 . . 1 . . . . . . . . 4242 1 859 . 1 1 82 82 GLU HB2 H 1 1.8 . . 2 . . . . . . . . 4242 1 860 . 1 1 82 82 GLU HB3 H 1 1.55 . . 2 . . . . . . . . 4242 1 861 . 1 1 82 82 GLU HG2 H 1 2.28 . . 1 . . . . . . . . 4242 1 862 . 1 1 82 82 GLU HG3 H 1 2.28 . . 1 . . . . . . . . 4242 1 863 . 1 1 82 82 GLU CA C 13 53.8 . . 1 . . . . . . . . 4242 1 864 . 1 1 82 82 GLU CB C 13 30.5 . . 1 . . . . . . . . 4242 1 865 . 1 1 82 82 GLU CG C 13 34.5 . . 1 . . . . . . . . 4242 1 866 . 1 1 82 82 GLU N N 15 127.8 . . 1 . . . . . . . . 4242 1 867 . 1 1 83 83 ASP H H 1 8.36 . . 1 . . . . . . . . 4242 1 868 . 1 1 83 83 ASP HA H 1 4.51 . . 1 . . . . . . . . 4242 1 869 . 1 1 83 83 ASP HB2 H 1 2.77 . . 1 . . . . . . . . 4242 1 870 . 1 1 83 83 ASP HB3 H 1 2.59 . . 1 . . . . . . . . 4242 1 871 . 1 1 83 83 ASP CA C 13 52.7 . . 1 . . . . . . . . 4242 1 872 . 1 1 83 83 ASP CB C 13 38.8 . . 1 . . . . . . . . 4242 1 873 . 1 1 83 83 ASP N N 15 126.4 . . 1 . . . . . . . . 4242 1 874 . 1 1 84 84 LEU H H 1 8.65 . . 1 . . . . . . . . 4242 1 875 . 1 1 84 84 LEU HA H 1 4.29 . . 1 . . . . . . . . 4242 1 876 . 1 1 84 84 LEU HB2 H 1 1.77 . . 2 . . . . . . . . 4242 1 877 . 1 1 84 84 LEU HB3 H 1 1.6 . . 2 . . . . . . . . 4242 1 878 . 1 1 84 84 LEU HG H 1 1.65 . . 1 . . . . . . . . 4242 1 879 . 1 1 84 84 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 4242 1 880 . 1 1 84 84 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 4242 1 881 . 1 1 84 84 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 4242 1 882 . 1 1 84 84 LEU HD21 H 1 0.14 . . 1 . . . . . . . . 4242 1 883 . 1 1 84 84 LEU HD22 H 1 0.14 . . 1 . . . . . . . . 4242 1 884 . 1 1 84 84 LEU HD23 H 1 0.14 . . 1 . . . . . . . . 4242 1 885 . 1 1 84 84 LEU CA C 13 52.7 . . 1 . . . . . . . . 4242 1 886 . 1 1 84 84 LEU CB C 13 39.9 . . 1 . . . . . . . . 4242 1 887 . 1 1 84 84 LEU CG C 13 24.6 . . 1 . . . . . . . . 4242 1 888 . 1 1 84 84 LEU CD1 C 13 24.5 . . 2 . . . . . . . . 4242 1 889 . 1 1 84 84 LEU CD2 C 13 20.2 . . 2 . . . . . . . . 4242 1 890 . 1 1 84 84 LEU N N 15 133.00 . . 1 . . . . . . . . 4242 1 891 . 1 1 85 85 ASN H H 1 8.46 . . 1 . . . . . . . . 4242 1 892 . 1 1 85 85 ASN HA H 1 5.04 . . 1 . . . . . . . . 4242 1 893 . 1 1 85 85 ASN HB2 H 1 2.93 . . 1 . . . . . . . . 4242 1 894 . 1 1 85 85 ASN HB3 H 1 2.79 . . 1 . . . . . . . . 4242 1 895 . 1 1 85 85 ASN HD21 H 1 7.72 . . 1 . . . . . . . . 4242 1 896 . 1 1 85 85 ASN HD22 H 1 6.93 . . 1 . . . . . . . . 4242 1 897 . 1 1 85 85 ASN CA C 13 53.1 . . 1 . . . . . . . . 4242 1 898 . 1 1 85 85 ASN CB C 13 39.1 . . 1 . . . . . . . . 4242 1 899 . 1 1 85 85 ASN N N 15 125.5 . . 1 . . . . . . . . 4242 1 900 . 1 1 85 85 ASN ND2 N 15 120.6 . . 1 . . . . . . . . 4242 1 901 . 1 1 86 86 ASN H H 1 8.68 . . 1 . . . . . . . . 4242 1 902 . 1 1 86 86 ASN HA H 1 4.99 . . 1 . . . . . . . . 4242 1 903 . 1 1 86 86 ASN HB2 H 1 2.98 . . 1 . . . . . . . . 4242 1 904 . 1 1 86 86 ASN HB3 H 1 2.56 . . 1 . . . . . . . . 4242 1 905 . 1 1 86 86 ASN HD21 H 1 8.32 . . 1 . . . . . . . . 4242 1 906 . 1 1 86 86 ASN HD22 H 1 6.88 . . 1 . . . . . . . . 4242 1 907 . 1 1 86 86 ASN CA C 13 52.1 . . 1 . . . . . . . . 4242 1 908 . 1 1 86 86 ASN CB C 13 39.00 . . 1 . . . . . . . . 4242 1 909 . 1 1 86 86 ASN N N 15 125.8 . . 1 . . . . . . . . 4242 1 910 . 1 1 86 86 ASN ND2 N 15 123.7 . . 1 . . . . . . . . 4242 1 911 . 1 1 87 87 ASP H H 1 9.26 . . 1 . . . . . . . . 4242 1 912 . 1 1 87 87 ASP HA H 1 5.03 . . 1 . . . . . . . . 4242 1 913 . 1 1 87 87 ASP HB2 H 1 2.85 . . 1 . . . . . . . . 4242 1 914 . 1 1 87 87 ASP HB3 H 1 2.26 . . 1 . . . . . . . . 4242 1 915 . 1 1 87 87 ASP CA C 13 52.7 . . 1 . . . . . . . . 4242 1 916 . 1 1 87 87 ASP CB C 13 40.7 . . 1 . . . . . . . . 4242 1 917 . 1 1 87 87 ASP N N 15 129.00 . . 1 . . . . . . . . 4242 1 918 . 1 1 88 88 ARG H H 1 8.29 . . 1 . . . . . . . . 4242 1 919 . 1 1 88 88 ARG HA H 1 4.72 . . 1 . . . . . . . . 4242 1 920 . 1 1 88 88 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 4242 1 921 . 1 1 88 88 ARG HB3 H 1 1.45 . . 2 . . . . . . . . 4242 1 922 . 1 1 88 88 ARG CA C 13 53.6 . . 1 . . . . . . . . 4242 1 923 . 1 1 88 88 ARG CB C 13 31.8 . . 1 . . . . . . . . 4242 1 924 . 1 1 88 88 ARG N N 15 126.00 . . 1 . . . . . . . . 4242 1 925 . 1 1 89 89 ILE H H 1 8.38 . . 1 . . . . . . . . 4242 1 926 . 1 1 89 89 ILE HA H 1 4.58 . . 1 . . . . . . . . 4242 1 927 . 1 1 89 89 ILE HB H 1 1.84 . . 1 . . . . . . . . 4242 1 928 . 1 1 89 89 ILE HG12 H 1 1.5 . . 2 . . . . . . . . 4242 1 929 . 1 1 89 89 ILE HG13 H 1 1.08 . . 2 . . . . . . . . 4242 1 930 . 1 1 89 89 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4242 1 931 . 1 1 89 89 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4242 1 932 . 1 1 89 89 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4242 1 933 . 1 1 89 89 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4242 1 934 . 1 1 89 89 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4242 1 935 . 1 1 89 89 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4242 1 936 . 1 1 89 89 ILE CA C 13 58.4 . . 1 . . . . . . . . 4242 1 937 . 1 1 89 89 ILE CB C 13 39.00 . . 1 . . . . . . . . 4242 1 938 . 1 1 89 89 ILE CG1 C 13 26.3 . . 1 . . . . . . . . 4242 1 939 . 1 1 89 89 ILE CG2 C 13 15.8 . . 1 . . . . . . . . 4242 1 940 . 1 1 89 89 ILE CD1 C 13 12.3 . . 1 . . . . . . . . 4242 1 941 . 1 1 89 89 ILE N N 15 127.7 . . 1 . . . . . . . . 4242 1 942 . 1 1 90 90 THR H H 1 9.15 . . 1 . . . . . . . . 4242 1 943 . 1 1 90 90 THR HA H 1 5.16 . . 1 . . . . . . . . 4242 1 944 . 1 1 90 90 THR HB H 1 3.78 . . 1 . . . . . . . . 4242 1 945 . 1 1 90 90 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4242 1 946 . 1 1 90 90 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4242 1 947 . 1 1 90 90 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4242 1 948 . 1 1 90 90 THR CA C 13 60.6 . . 1 . . . . . . . . 4242 1 949 . 1 1 90 90 THR CB C 13 70.3 . . 1 . . . . . . . . 4242 1 950 . 1 1 90 90 THR CG2 C 13 20.1 . . 1 . . . . . . . . 4242 1 951 . 1 1 90 90 THR N N 15 130.9 . . 1 . . . . . . . . 4242 1 952 . 1 1 91 91 ILE H H 1 9.3 . . 1 . . . . . . . . 4242 1 953 . 1 1 91 91 ILE HA H 1 4.85 . . 1 . . . . . . . . 4242 1 954 . 1 1 91 91 ILE HB H 1 1.81 . . 1 . . . . . . . . 4242 1 955 . 1 1 91 91 ILE HG12 H 1 1.55 . . 2 . . . . . . . . 4242 1 956 . 1 1 91 91 ILE HG13 H 1 0.8 . . 2 . . . . . . . . 4242 1 957 . 1 1 91 91 ILE HG21 H 1 0.93 . . 1 . . . . . . . . 4242 1 958 . 1 1 91 91 ILE HG22 H 1 0.93 . . 1 . . . . . . . . 4242 1 959 . 1 1 91 91 ILE HG23 H 1 0.93 . . 1 . . . . . . . . 4242 1 960 . 1 1 91 91 ILE HD11 H 1 0.56 . . 1 . . . . . . . . 4242 1 961 . 1 1 91 91 ILE HD12 H 1 0.56 . . 1 . . . . . . . . 4242 1 962 . 1 1 91 91 ILE HD13 H 1 0.56 . . 1 . . . . . . . . 4242 1 963 . 1 1 91 91 ILE CA C 13 59.2 . . 1 . . . . . . . . 4242 1 964 . 1 1 91 91 ILE CB C 13 38.9 . . 1 . . . . . . . . 4242 1 965 . 1 1 91 91 ILE CG1 C 13 26.3 . . 1 . . . . . . . . 4242 1 966 . 1 1 91 91 ILE CG2 C 13 16.4 . . 1 . . . . . . . . 4242 1 967 . 1 1 91 91 ILE CD1 C 13 13.5 . . 1 . . . . . . . . 4242 1 968 . 1 1 91 91 ILE N N 15 134.3 . . 1 . . . . . . . . 4242 1 969 . 1 1 92 92 GLU H H 1 9.46 . . 1 . . . . . . . . 4242 1 970 . 1 1 92 92 GLU HA H 1 5.95 . . 1 . . . . . . . . 4242 1 971 . 1 1 92 92 GLU HB2 H 1 2.1 . . 1 . . . . . . . . 4242 1 972 . 1 1 92 92 GLU HB3 H 1 1.91 . . 2 . . . . . . . . 4242 1 973 . 1 1 92 92 GLU HG2 H 1 2.26 . . 2 . . . . . . . . 4242 1 974 . 1 1 92 92 GLU HG3 H 1 2.08 . . 1 . . . . . . . . 4242 1 975 . 1 1 92 92 GLU CA C 13 52.7 . . 1 . . . . . . . . 4242 1 976 . 1 1 92 92 GLU CB C 13 32.2 . . 1 . . . . . . . . 4242 1 977 . 1 1 92 92 GLU CG C 13 36.1 . . 1 . . . . . . . . 4242 1 978 . 1 1 92 92 GLU N N 15 133.3 . . 1 . . . . . . . . 4242 1 979 . 1 1 93 93 TRP H H 1 9.35 . . 1 . . . . . . . . 4242 1 980 . 1 1 93 93 TRP HA H 1 6.39 . . 1 . . . . . . . . 4242 1 981 . 1 1 93 93 TRP HD1 H 1 6.76 . . 1 . . . . . . . . 4242 1 982 . 1 1 93 93 TRP HE1 H 1 10.65 . . 1 . . . . . . . . 4242 1 983 . 1 1 93 93 TRP HE3 H 1 7.26 . . 1 . . . . . . . . 4242 1 984 . 1 1 93 93 TRP HZ2 H 1 7.39 . . 1 . . . . . . . . 4242 1 985 . 1 1 93 93 TRP HZ3 H 1 6.86 . . 1 . . . . . . . . 4242 1 986 . 1 1 93 93 TRP HH2 H 1 7.06 . . 1 . . . . . . . . 4242 1 987 . 1 1 93 93 TRP CA C 13 56.6 . . 1 . . . . . . . . 4242 1 988 . 1 1 93 93 TRP CD1 C 13 124.1 . . 1 . . . . . . . . 4242 1 989 . 1 1 93 93 TRP CE3 C 13 121.7 . . 1 . . . . . . . . 4242 1 990 . 1 1 93 93 TRP CZ2 C 13 112.9 . . 1 . . . . . . . . 4242 1 991 . 1 1 93 93 TRP CZ3 C 13 119.9 . . 1 . . . . . . . . 4242 1 992 . 1 1 93 93 TRP CH2 C 13 123.2 . . 1 . . . . . . . . 4242 1 993 . 1 1 93 93 TRP N N 15 127.00 . . 1 . . . . . . . . 4242 1 994 . 1 1 93 93 TRP NE1 N 15 135.3 . . 1 . . . . . . . . 4242 1 995 . 1 1 94 94 THR H H 1 8.77 . . 1 . . . . . . . . 4242 1 996 . 1 1 94 94 THR HA H 1 4.56 . . 1 . . . . . . . . 4242 1 997 . 1 1 94 94 THR HB H 1 3.74 . . 1 . . . . . . . . 4242 1 998 . 1 1 94 94 THR HG21 H 1 0.48 . . 1 . . . . . . . . 4242 1 999 . 1 1 94 94 THR HG22 H 1 0.48 . . 1 . . . . . . . . 4242 1 1000 . 1 1 94 94 THR HG23 H 1 0.48 . . 1 . . . . . . . . 4242 1 1001 . 1 1 94 94 THR CA C 13 58.8 . . 1 . . . . . . . . 4242 1 1002 . 1 1 94 94 THR CB C 13 70.2 . . 1 . . . . . . . . 4242 1 1003 . 1 1 94 94 THR CG2 C 13 15.3 . . 1 . . . . . . . . 4242 1 1004 . 1 1 94 94 THR N N 15 119.5 . . 1 . . . . . . . . 4242 1 1005 . 1 1 95 95 ASN H H 1 8.22 . . 1 . . . . . . . . 4242 1 1006 . 1 1 95 95 ASN HA H 1 5.24 . . 1 . . . . . . . . 4242 1 1007 . 1 1 95 95 ASN HB2 H 1 2.7 . . 1 . . . . . . . . 4242 1 1008 . 1 1 95 95 ASN HB3 H 1 2.7 . . 1 . . . . . . . . 4242 1 1009 . 1 1 95 95 ASN HD21 H 1 7.13 . . 1 . . . . . . . . 4242 1 1010 . 1 1 95 95 ASN HD22 H 1 6.5 . . 1 . . . . . . . . 4242 1 1011 . 1 1 95 95 ASN CA C 13 51.8 . . 1 . . . . . . . . 4242 1 1012 . 1 1 95 95 ASN CB C 13 36.4 . . 1 . . . . . . . . 4242 1 1013 . 1 1 95 95 ASN N N 15 130.5 . . 1 . . . . . . . . 4242 1 1014 . 1 1 95 95 ASN ND2 N 15 116.00 . . 1 . . . . . . . . 4242 1 1015 . 1 1 96 96 THR H H 1 7.98 . . 1 . . . . . . . . 4242 1 1016 . 1 1 96 96 THR HA H 1 3.25 . . 1 . . . . . . . . 4242 1 1017 . 1 1 96 96 THR HB H 1 3.31 . . 1 . . . . . . . . 4242 1 1018 . 1 1 96 96 THR HG21 H 1 0.33 . . 1 . . . . . . . . 4242 1 1019 . 1 1 96 96 THR HG22 H 1 0.33 . . 1 . . . . . . . . 4242 1 1020 . 1 1 96 96 THR HG23 H 1 0.33 . . 1 . . . . . . . . 4242 1 1021 . 1 1 96 96 THR CA C 13 58.4 . . 1 . . . . . . . . 4242 1 1022 . 1 1 96 96 THR CB C 13 64.9 . . 1 . . . . . . . . 4242 1 1023 . 1 1 96 96 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4242 1 1024 . 1 1 96 96 THR N N 15 120.6 . . 1 . . . . . . . . 4242 1 1025 . 1 1 97 97 PRO HA H 1 4.33 . . 1 . . . . . . . . 4242 1 1026 . 1 1 97 97 PRO HB2 H 1 2.25 . . 2 . . . . . . . . 4242 1 1027 . 1 1 97 97 PRO HB3 H 1 1.79 . . 2 . . . . . . . . 4242 1 1028 . 1 1 97 97 PRO HG2 H 1 1.89 . . 1 . . . . . . . . 4242 1 1029 . 1 1 97 97 PRO HG3 H 1 1.89 . . 1 . . . . . . . . 4242 1 1030 . 1 1 97 97 PRO HD2 H 1 2.28 . . 2 . . . . . . . . 4242 1 1031 . 1 1 97 97 PRO HD3 H 1 2.56 . . 2 . . . . . . . . 4242 1 1032 . 1 1 97 97 PRO CA C 13 60.9 . . 1 . . . . . . . . 4242 1 1033 . 1 1 97 97 PRO CB C 13 30.00 . . 1 . . . . . . . . 4242 1 1034 . 1 1 97 97 PRO CG C 13 26.3 . . 1 . . . . . . . . 4242 1 1035 . 1 1 97 97 PRO CD C 13 48.00 . . 1 . . . . . . . . 4242 1 1036 . 1 1 98 98 ASP H H 1 8.54 . . 1 . . . . . . . . 4242 1 1037 . 1 1 98 98 ASP HA H 1 4.34 . . 1 . . . . . . . . 4242 1 1038 . 1 1 98 98 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 4242 1 1039 . 1 1 98 98 ASP HB3 H 1 2.54 . . 2 . . . . . . . . 4242 1 1040 . 1 1 98 98 ASP CA C 13 54.4 . . 1 . . . . . . . . 4242 1 1041 . 1 1 98 98 ASP CB C 13 39.3 . . 1 . . . . . . . . 4242 1 1042 . 1 1 98 98 ASP N N 15 129.9 . . 1 . . . . . . . . 4242 1 1043 . 1 1 99 99 GLY H H 1 8.78 . . 1 . . . . . . . . 4242 1 1044 . 1 1 99 99 GLY HA2 H 1 4.11 . . 2 . . . . . . . . 4242 1 1045 . 1 1 99 99 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 4242 1 1046 . 1 1 99 99 GLY CA C 13 43.8 . . 1 . . . . . . . . 4242 1 1047 . 1 1 99 99 GLY N N 15 118.4 . . 1 . . . . . . . . 4242 1 1048 . 1 1 100 100 ALA H H 1 7.44 . . 1 . . . . . . . . 4242 1 1049 . 1 1 100 100 ALA HA H 1 4.37 . . 1 . . . . . . . . 4242 1 1050 . 1 1 100 100 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 4242 1 1051 . 1 1 100 100 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 4242 1 1052 . 1 1 100 100 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 4242 1 1053 . 1 1 100 100 ALA CA C 13 50.9 . . 1 . . . . . . . . 4242 1 1054 . 1 1 100 100 ALA CB C 13 18.5 . . 1 . . . . . . . . 4242 1 1055 . 1 1 100 100 ALA N N 15 129.2 . . 1 . . . . . . . . 4242 1 1056 . 1 1 101 101 ALA H H 1 8.4 . . 1 . . . . . . . . 4242 1 1057 . 1 1 101 101 ALA HA H 1 4.46 . . 1 . . . . . . . . 4242 1 1058 . 1 1 101 101 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4242 1 1059 . 1 1 101 101 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4242 1 1060 . 1 1 101 101 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4242 1 1061 . 1 1 101 101 ALA CA C 13 50.00 . . 1 . . . . . . . . 4242 1 1062 . 1 1 101 101 ALA CB C 13 17.4 . . 1 . . . . . . . . 4242 1 1063 . 1 1 101 101 ALA N N 15 130.6 . . 1 . . . . . . . . 4242 1 1064 . 1 1 102 102 LYS H H 1 8.59 . . 1 . . . . . . . . 4242 1 1065 . 1 1 102 102 LYS HA H 1 4.29 . . 1 . . . . . . . . 4242 1 1066 . 1 1 102 102 LYS HB2 H 1 2.16 . . 1 . . . . . . . . 4242 1 1067 . 1 1 102 102 LYS HB3 H 1 2.16 . . 1 . . . . . . . . 4242 1 1068 . 1 1 102 102 LYS CA C 13 54.7 . . 1 . . . . . . . . 4242 1 1069 . 1 1 102 102 LYS CB C 13 29.9 . . 1 . . . . . . . . 4242 1 1070 . 1 1 102 102 LYS N N 15 128.4 . . 1 . . . . . . . . 4242 1 1071 . 1 1 103 103 GLN H H 1 7.82 . . 1 . . . . . . . . 4242 1 1072 . 1 1 103 103 GLN HA H 1 4.52 . . 1 . . . . . . . . 4242 1 1073 . 1 1 103 103 GLN HB2 H 1 1.9 . . 1 . . . . . . . . 4242 1 1074 . 1 1 103 103 GLN HB3 H 1 1.9 . . 1 . . . . . . . . 4242 1 1075 . 1 1 103 103 GLN HG2 H 1 2.26 . . 1 . . . . . . . . 4242 1 1076 . 1 1 103 103 GLN HG3 H 1 2.26 . . 1 . . . . . . . . 4242 1 1077 . 1 1 103 103 GLN CA C 13 53.4 . . 1 . . . . . . . . 4242 1 1078 . 1 1 103 103 GLN CB C 13 29.4 . . 1 . . . . . . . . 4242 1 1079 . 1 1 103 103 GLN CG C 13 32.00 . . 1 . . . . . . . . 4242 1 1080 . 1 1 103 103 GLN N N 15 128.00 . . 1 . . . . . . . . 4242 1 1081 . 1 1 104 104 PHE H H 1 8.89 . . 1 . . . . . . . . 4242 1 1082 . 1 1 104 104 PHE HA H 1 3.52 . . 1 . . . . . . . . 4242 1 1083 . 1 1 104 104 PHE HB2 H 1 2.72 . . 1 . . . . . . . . 4242 1 1084 . 1 1 104 104 PHE HB3 H 1 2.66 . . 1 . . . . . . . . 4242 1 1085 . 1 1 104 104 PHE HD1 H 1 7.01 . . 1 . . . . . . . . 4242 1 1086 . 1 1 104 104 PHE HD2 H 1 7.01 . . 1 . . . . . . . . 4242 1 1087 . 1 1 104 104 PHE HE1 H 1 6.98 . . 1 . . . . . . . . 4242 1 1088 . 1 1 104 104 PHE HE2 H 1 6.98 . . 1 . . . . . . . . 4242 1 1089 . 1 1 104 104 PHE HZ H 1 6.56 . . 1 . . . . . . . . 4242 1 1090 . 1 1 104 104 PHE CA C 13 59.00 . . 1 . . . . . . . . 4242 1 1091 . 1 1 104 104 PHE CB C 13 38.3 . . 1 . . . . . . . . 4242 1 1092 . 1 1 104 104 PHE CD1 C 13 130.6 . . 1 . . . . . . . . 4242 1 1093 . 1 1 104 104 PHE CD2 C 13 130.6 . . 1 . . . . . . . . 4242 1 1094 . 1 1 104 104 PHE CE1 C 13 130.1 . . 1 . . . . . . . . 4242 1 1095 . 1 1 104 104 PHE CE2 C 13 130.1 . . 1 . . . . . . . . 4242 1 1096 . 1 1 104 104 PHE CZ C 13 128.3 . . 1 . . . . . . . . 4242 1 1097 . 1 1 104 104 PHE N N 15 132.4 . . 1 . . . . . . . . 4242 1 1098 . 1 1 105 105 ARG H H 1 3.64 . . 1 . . . . . . . . 4242 1 1099 . 1 1 105 105 ARG HA H 1 3.94 . . 1 . . . . . . . . 4242 1 1100 . 1 1 105 105 ARG HB2 H 1 1.1 . . 1 . . . . . . . . 4242 1 1101 . 1 1 105 105 ARG HB3 H 1 -0.74 . . 1 . . . . . . . . 4242 1 1102 . 1 1 105 105 ARG HG2 H 1 1.09 . . 1 . . . . . . . . 4242 1 1103 . 1 1 105 105 ARG HG3 H 1 1.00 . . 1 . . . . . . . . 4242 1 1104 . 1 1 105 105 ARG HD2 H 1 3.02 . . 1 . . . . . . . . 4242 1 1105 . 1 1 105 105 ARG HD3 H 1 2.91 . . 1 . . . . . . . . 4242 1 1106 . 1 1 105 105 ARG HE H 1 7.14 . . 1 . . . . . . . . 4242 1 1107 . 1 1 105 105 ARG CA C 13 51.2 . . 1 . . . . . . . . 4242 1 1108 . 1 1 105 105 ARG CB C 13 28.6 . . 1 . . . . . . . . 4242 1 1109 . 1 1 105 105 ARG CG C 13 24.4 . . 1 . . . . . . . . 4242 1 1110 . 1 1 105 105 ARG CD C 13 41.3 . . 1 . . . . . . . . 4242 1 1111 . 1 1 105 105 ARG N N 15 130.9 . . 1 . . . . . . . . 4242 1 1112 . 1 1 105 105 ARG NE N 15 92.00 . . 1 . . . . . . . . 4242 1 1113 . 1 1 106 106 ARG H H 1 8.33 . . 1 . . . . . . . . 4242 1 1114 . 1 1 106 106 ARG HA H 1 3.6 . . 1 . . . . . . . . 4242 1 1115 . 1 1 106 106 ARG HB2 H 1 1.8 . . 1 . . . . . . . . 4242 1 1116 . 1 1 106 106 ARG HB3 H 1 1.74 . . 1 . . . . . . . . 4242 1 1117 . 1 1 106 106 ARG HG2 H 1 1.72 . . 1 . . . . . . . . 4242 1 1118 . 1 1 106 106 ARG HG3 H 1 1.66 . . 1 . . . . . . . . 4242 1 1119 . 1 1 106 106 ARG HD2 H 1 3.18 . . 1 . . . . . . . . 4242 1 1120 . 1 1 106 106 ARG HD3 H 1 3.18 . . 1 . . . . . . . . 4242 1 1121 . 1 1 106 106 ARG CA C 13 56.2 . . 1 . . . . . . . . 4242 1 1122 . 1 1 106 106 ARG CB C 13 27.7 . . 1 . . . . . . . . 4242 1 1123 . 1 1 106 106 ARG CG C 13 25.1 . . 1 . . . . . . . . 4242 1 1124 . 1 1 106 106 ARG CD C 13 41.3 . . 1 . . . . . . . . 4242 1 1125 . 1 1 106 106 ARG N N 15 130.2 . . 1 . . . . . . . . 4242 1 1126 . 1 1 107 107 GLU H H 1 9.4 . . 1 . . . . . . . . 4242 1 1127 . 1 1 107 107 GLU HA H 1 3.95 . . 1 . . . . . . . . 4242 1 1128 . 1 1 107 107 GLU HB2 H 1 1.96 . . 1 . . . . . . . . 4242 1 1129 . 1 1 107 107 GLU HB3 H 1 1.84 . . 1 . . . . . . . . 4242 1 1130 . 1 1 107 107 GLU HG2 H 1 2.23 . . 1 . . . . . . . . 4242 1 1131 . 1 1 107 107 GLU HG3 H 1 2.23 . . 1 . . . . . . . . 4242 1 1132 . 1 1 107 107 GLU CA C 13 58.1 . . 1 . . . . . . . . 4242 1 1133 . 1 1 107 107 GLU CB C 13 26.5 . . 1 . . . . . . . . 4242 1 1134 . 1 1 107 107 GLU CG C 13 35.1 . . 1 . . . . . . . . 4242 1 1135 . 1 1 107 107 GLU N N 15 125.7 . . 1 . . . . . . . . 4242 1 1136 . 1 1 108 108 TRP H H 1 7.18 . . 1 . . . . . . . . 4242 1 1137 . 1 1 108 108 TRP HA H 1 4.66 . . 2 . . . . . . . . 4242 1 1138 . 1 1 108 108 TRP HB2 H 1 2.88 . . 2 . . . . . . . . 4242 1 1139 . 1 1 108 108 TRP HB3 H 1 2.88 . . 1 . . . . . . . . 4242 1 1140 . 1 1 108 108 TRP HD1 H 1 7.06 . . 1 . . . . . . . . 4242 1 1141 . 1 1 108 108 TRP HE1 H 1 10.47 . . 1 . . . . . . . . 4242 1 1142 . 1 1 108 108 TRP HE3 H 1 6.94 . . 1 . . . . . . . . 4242 1 1143 . 1 1 108 108 TRP HZ2 H 1 7.54 . . 1 . . . . . . . . 4242 1 1144 . 1 1 108 108 TRP HZ3 H 1 6.94 . . 1 . . . . . . . . 4242 1 1145 . 1 1 108 108 TRP HH2 H 1 7.17 . . 1 . . . . . . . . 4242 1 1146 . 1 1 108 108 TRP CA C 13 55.00 . . 1 . . . . . . . . 4242 1 1147 . 1 1 108 108 TRP CB C 13 26.5 . . 1 . . . . . . . . 4242 1 1148 . 1 1 108 108 TRP CD1 C 13 122.8 . . 1 . . . . . . . . 4242 1 1149 . 1 1 108 108 TRP CE3 C 13 118.1 . . 1 . . . . . . . . 4242 1 1150 . 1 1 108 108 TRP CZ2 C 13 113.9 . . 1 . . . . . . . . 4242 1 1151 . 1 1 108 108 TRP CZ3 C 13 118.5 . . 1 . . . . . . . . 4242 1 1152 . 1 1 108 108 TRP CH2 C 13 125.3 . . 1 . . . . . . . . 4242 1 1153 . 1 1 108 108 TRP N N 15 126.4 . . 1 . . . . . . . . 4242 1 1154 . 1 1 108 108 TRP NE1 N 15 135.9 . . 1 . . . . . . . . 4242 1 1155 . 1 1 109 109 PHE H H 1 7.97 . . 1 . . . . . . . . 4242 1 1156 . 1 1 109 109 PHE HA H 1 4.36 . . 1 . . . . . . . . 4242 1 1157 . 1 1 109 109 PHE HB2 H 1 3.45 . . 2 . . . . . . . . 4242 1 1158 . 1 1 109 109 PHE HB3 H 1 3.11 . . 2 . . . . . . . . 4242 1 1159 . 1 1 109 109 PHE HD1 H 1 7.29 . . 1 . . . . . . . . 4242 1 1160 . 1 1 109 109 PHE HD2 H 1 7.29 . . 1 . . . . . . . . 4242 1 1161 . 1 1 109 109 PHE HE1 H 1 7.29 . . 1 . . . . . . . . 4242 1 1162 . 1 1 109 109 PHE HE2 H 1 7.29 . . 1 . . . . . . . . 4242 1 1163 . 1 1 109 109 PHE HZ H 1 7.4 . . 1 . . . . . . . . 4242 1 1164 . 1 1 109 109 PHE CA C 13 55.8 . . 1 . . . . . . . . 4242 1 1165 . 1 1 109 109 PHE CB C 13 36.8 . . 1 . . . . . . . . 4242 1 1166 . 1 1 109 109 PHE CD1 C 13 130.2 . . 1 . . . . . . . . 4242 1 1167 . 1 1 109 109 PHE CD2 C 13 130.2 . . 1 . . . . . . . . 4242 1 1168 . 1 1 109 109 PHE CE1 C 13 130.2 . . 1 . . . . . . . . 4242 1 1169 . 1 1 109 109 PHE CE2 C 13 130.2 . . 1 . . . . . . . . 4242 1 1170 . 1 1 109 109 PHE CZ C 13 127.7 . . 1 . . . . . . . . 4242 1 1171 . 1 1 109 109 PHE N N 15 122.2 . . 1 . . . . . . . . 4242 1 1172 . 1 1 110 110 GLN H H 1 7.53 . . 1 . . . . . . . . 4242 1 1173 . 1 1 110 110 GLN HA H 1 4.57 . . 1 . . . . . . . . 4242 1 1174 . 1 1 110 110 GLN HB2 H 1 2.29 . . 2 . . . . . . . . 4242 1 1175 . 1 1 110 110 GLN HB3 H 1 2.01 . . 2 . . . . . . . . 4242 1 1176 . 1 1 110 110 GLN HG2 H 1 2.38 . . 1 . . . . . . . . 4242 1 1177 . 1 1 110 110 GLN HG3 H 1 2.38 . . 1 . . . . . . . . 4242 1 1178 . 1 1 110 110 GLN CA C 13 53.7 . . 1 . . . . . . . . 4242 1 1179 . 1 1 110 110 GLN CB C 13 28.5 . . 1 . . . . . . . . 4242 1 1180 . 1 1 110 110 GLN CG C 13 32.2 . . 1 . . . . . . . . 4242 1 1181 . 1 1 110 110 GLN N N 15 126.1 . . 1 . . . . . . . . 4242 1 1182 . 1 1 111 111 GLY H H 1 8.23 . . 1 . . . . . . . . 4242 1 1183 . 1 1 111 111 GLY HA2 H 1 4.1 . . 2 . . . . . . . . 4242 1 1184 . 1 1 111 111 GLY HA3 H 1 3.98 . . 2 . . . . . . . . 4242 1 1185 . 1 1 111 111 GLY CA C 13 44.00 . . 1 . . . . . . . . 4242 1 1186 . 1 1 111 111 GLY N N 15 116.5 . . 1 . . . . . . . . 4242 1 1187 . 1 1 112 112 ASP H H 1 8.41 . . 1 . . . . . . . . 4242 1 1188 . 1 1 112 112 ASP HA H 1 4.61 . . 1 . . . . . . . . 4242 1 1189 . 1 1 112 112 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 4242 1 1190 . 1 1 112 112 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 4242 1 1191 . 1 1 112 112 ASP CA C 13 52.9 . . 1 . . . . . . . . 4242 1 1192 . 1 1 112 112 ASP CB C 13 39.5 . . 1 . . . . . . . . 4242 1 1193 . 1 1 112 112 ASP N N 15 129.1 . . 1 . . . . . . . . 4242 1 1194 . 1 1 113 113 GLY H H 1 8.22 . . 1 . . . . . . . . 4242 1 1195 . 1 1 113 113 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 4242 1 1196 . 1 1 113 113 GLY HA3 H 1 3.81 . . 2 . . . . . . . . 4242 1 1197 . 1 1 113 113 GLY CA C 13 43.7 . . 1 . . . . . . . . 4242 1 1198 . 1 1 113 113 GLY N N 15 115.7 . . 1 . . . . . . . . 4242 1 1199 . 1 1 114 114 MET H H 1 8.28 . . 1 . . . . . . . . 4242 1 1200 . 1 1 114 114 MET HA H 1 4.44 . . 1 . . . . . . . . 4242 1 1201 . 1 1 114 114 MET HB2 H 1 1.94 . . 2 . . . . . . . . 4242 1 1202 . 1 1 114 114 MET HB3 H 1 1.87 . . 2 . . . . . . . . 4242 1 1203 . 1 1 114 114 MET HG2 H 1 2.52 . . 1 . . . . . . . . 4242 1 1204 . 1 1 114 114 MET HG3 H 1 2.32 . . 1 . . . . . . . . 4242 1 1205 . 1 1 114 114 MET HE1 H 1 2.04 . . 1 . . . . . . . . 4242 1 1206 . 1 1 114 114 MET HE2 H 1 2.04 . . 1 . . . . . . . . 4242 1 1207 . 1 1 114 114 MET HE3 H 1 2.04 . . 1 . . . . . . . . 4242 1 1208 . 1 1 114 114 MET CA C 13 53.8 . . 1 . . . . . . . . 4242 1 1209 . 1 1 114 114 MET CB C 13 31.6 . . 1 . . . . . . . . 4242 1 1210 . 1 1 114 114 MET CG C 13 31.00 . . 1 . . . . . . . . 4242 1 1211 . 1 1 114 114 MET CE C 13 16.1 . . 1 . . . . . . . . 4242 1 1212 . 1 1 114 114 MET N N 15 127.3 . . 1 . . . . . . . . 4242 1 1213 . 1 1 115 115 VAL H H 1 8.27 . . 1 . . . . . . . . 4242 1 1214 . 1 1 115 115 VAL HA H 1 4.35 . . 1 . . . . . . . . 4242 1 1215 . 1 1 115 115 VAL HB H 1 1.9 . . 1 . . . . . . . . 4242 1 1216 . 1 1 115 115 VAL HG11 H 1 0.83 . . 2 . . . . . . . . 4242 1 1217 . 1 1 115 115 VAL HG12 H 1 0.83 . . 2 . . . . . . . . 4242 1 1218 . 1 1 115 115 VAL HG13 H 1 0.83 . . 2 . . . . . . . . 4242 1 1219 . 1 1 115 115 VAL HG21 H 1 0.78 . . 2 . . . . . . . . 4242 1 1220 . 1 1 115 115 VAL HG22 H 1 0.78 . . 2 . . . . . . . . 4242 1 1221 . 1 1 115 115 VAL HG23 H 1 0.78 . . 2 . . . . . . . . 4242 1 1222 . 1 1 115 115 VAL CA C 13 59.6 . . 1 . . . . . . . . 4242 1 1223 . 1 1 115 115 VAL CB C 13 31.8 . . 1 . . . . . . . . 4242 1 1224 . 1 1 115 115 VAL CG1 C 13 20.00 . . 2 . . . . . . . . 4242 1 1225 . 1 1 115 115 VAL CG2 C 13 19.1 . . 2 . . . . . . . . 4242 1 1226 . 1 1 115 115 VAL N N 15 133.5 . . 1 . . . . . . . . 4242 1 1227 . 1 1 116 116 ARG H H 1 8.31 . . 1 . . . . . . . . 4242 1 1228 . 1 1 116 116 ARG HA H 1 4.2 . . 1 . . . . . . . . 4242 1 1229 . 1 1 116 116 ARG HB2 H 1 0.73 . . 2 . . . . . . . . 4242 1 1230 . 1 1 116 116 ARG HB3 H 1 -0.46 . . 2 . . . . . . . . 4242 1 1231 . 1 1 116 116 ARG HG2 H 1 1.3 . . 2 . . . . . . . . 4242 1 1232 . 1 1 116 116 ARG HG3 H 1 1.24 . . 2 . . . . . . . . 4242 1 1233 . 1 1 116 116 ARG HD2 H 1 3.2 . . 2 . . . . . . . . 4242 1 1234 . 1 1 116 116 ARG HD3 H 1 2.78 . . 2 . . . . . . . . 4242 1 1235 . 1 1 116 116 ARG HE H 1 7.2 . . 1 . . . . . . . . 4242 1 1236 . 1 1 116 116 ARG CA C 13 53.2 . . 1 . . . . . . . . 4242 1 1237 . 1 1 116 116 ARG CB C 13 30.6 . . 1 . . . . . . . . 4242 1 1238 . 1 1 116 116 ARG CG C 13 25.7 . . 1 . . . . . . . . 4242 1 1239 . 1 1 116 116 ARG CD C 13 42.3 . . 1 . . . . . . . . 4242 1 1240 . 1 1 116 116 ARG N N 15 133.6 . . 1 . . . . . . . . 4242 1 1241 . 1 1 116 116 ARG NE N 15 91.6 . . 1 . . . . . . . . 4242 1 1242 . 1 1 117 117 ARG H H 1 7.85 . . 1 . . . . . . . . 4242 1 1243 . 1 1 117 117 ARG HA H 1 5.8 . . 1 . . . . . . . . 4242 1 1244 . 1 1 117 117 ARG HB2 H 1 1.63 . . 2 . . . . . . . . 4242 1 1245 . 1 1 117 117 ARG HB3 H 1 1.53 . . 2 . . . . . . . . 4242 1 1246 . 1 1 117 117 ARG HG2 H 1 1.48 . . 1 . . . . . . . . 4242 1 1247 . 1 1 117 117 ARG HG3 H 1 1.48 . . 1 . . . . . . . . 4242 1 1248 . 1 1 117 117 ARG HD2 H 1 3.17 . . 2 . . . . . . . . 4242 1 1249 . 1 1 117 117 ARG HD3 H 1 3.06 . . 2 . . . . . . . . 4242 1 1250 . 1 1 117 117 ARG HE H 1 7.66 . . 1 . . . . . . . . 4242 1 1251 . 1 1 117 117 ARG CA C 13 53.1 . . 1 . . . . . . . . 4242 1 1252 . 1 1 117 117 ARG CB C 13 33.2 . . 1 . . . . . . . . 4242 1 1253 . 1 1 117 117 ARG CG C 13 26.5 . . 1 . . . . . . . . 4242 1 1254 . 1 1 117 117 ARG CD C 13 41.8 . . 1 . . . . . . . . 4242 1 1255 . 1 1 117 117 ARG N N 15 122.1 . . 1 . . . . . . . . 4242 1 1256 . 1 1 117 117 ARG NE N 15 91.8 . . 1 . . . . . . . . 4242 1 1257 . 1 1 118 118 LYS H H 1 9.44 . . 1 . . . . . . . . 4242 1 1258 . 1 1 118 118 LYS HA H 1 4.74 . . 1 . . . . . . . . 4242 1 1259 . 1 1 118 118 LYS HE2 H 1 3.00 . . 1 . . . . . . . . 4242 1 1260 . 1 1 118 118 LYS HE3 H 1 3.00 . . 1 . . . . . . . . 4242 1 1261 . 1 1 118 118 LYS CA C 13 54.1 . . 1 . . . . . . . . 4242 1 1262 . 1 1 118 118 LYS CE C 13 41.4 . . 1 . . . . . . . . 4242 1 1263 . 1 1 118 118 LYS N N 15 130.3 . . 1 . . . . . . . . 4242 1 1264 . 1 1 119 119 ASN H H 1 9.1 . . 1 . . . . . . . . 4242 1 1265 . 1 1 119 119 ASN HA H 1 5.53 . . 1 . . . . . . . . 4242 1 1266 . 1 1 119 119 ASN HB2 H 1 2.8 . . 2 . . . . . . . . 4242 1 1267 . 1 1 119 119 ASN HB3 H 1 2.29 . . 2 . . . . . . . . 4242 1 1268 . 1 1 119 119 ASN HD21 H 1 7.67 . . 1 . . . . . . . . 4242 1 1269 . 1 1 119 119 ASN HD22 H 1 6.87 . . 1 . . . . . . . . 4242 1 1270 . 1 1 119 119 ASN CA C 13 50.6 . . 1 . . . . . . . . 4242 1 1271 . 1 1 119 119 ASN CB C 13 39.7 . . 1 . . . . . . . . 4242 1 1272 . 1 1 119 119 ASN N N 15 131.3 . . 1 . . . . . . . . 4242 1 1273 . 1 1 119 119 ASN ND2 N 15 121.00 . . 1 . . . . . . . . 4242 1 1274 . 1 1 120 120 LEU H H 1 9.43 . . 1 . . . . . . . . 4242 1 1275 . 1 1 120 120 LEU HA H 1 4.93 . . 1 . . . . . . . . 4242 1 1276 . 1 1 120 120 LEU HB2 H 1 1.5 . . 2 . . . . . . . . 4242 1 1277 . 1 1 120 120 LEU HB3 H 1 1.14 . . 2 . . . . . . . . 4242 1 1278 . 1 1 120 120 LEU HG H 1 1.26 . . 1 . . . . . . . . 4242 1 1279 . 1 1 120 120 LEU HD11 H 1 0.59 . . 2 . . . . . . . . 4242 1 1280 . 1 1 120 120 LEU HD12 H 1 0.59 . . 2 . . . . . . . . 4242 1 1281 . 1 1 120 120 LEU HD13 H 1 0.59 . . 2 . . . . . . . . 4242 1 1282 . 1 1 120 120 LEU HD21 H 1 0.51 . . 2 . . . . . . . . 4242 1 1283 . 1 1 120 120 LEU HD22 H 1 0.51 . . 2 . . . . . . . . 4242 1 1284 . 1 1 120 120 LEU HD23 H 1 0.51 . . 2 . . . . . . . . 4242 1 1285 . 1 1 120 120 LEU CA C 13 50.3 . . 1 . . . . . . . . 4242 1 1286 . 1 1 120 120 LEU CB C 13 42.7 . . 1 . . . . . . . . 4242 1 1287 . 1 1 120 120 LEU CG C 13 25.8 . . 1 . . . . . . . . 4242 1 1288 . 1 1 120 120 LEU CD1 C 13 23.9 . . 2 . . . . . . . . 4242 1 1289 . 1 1 120 120 LEU CD2 C 13 23.00 . . 2 . . . . . . . . 4242 1 1290 . 1 1 120 120 LEU N N 15 131.3 . . 1 . . . . . . . . 4242 1 1291 . 1 1 121 121 PRO HA H 1 4.33 . . 1 . . . . . . . . 4242 1 1292 . 1 1 121 121 PRO HB2 H 1 2.37 . . 2 . . . . . . . . 4242 1 1293 . 1 1 121 121 PRO HB3 H 1 1.81 . . 2 . . . . . . . . 4242 1 1294 . 1 1 121 121 PRO HG2 H 1 1.19 . . 2 . . . . . . . . 4242 1 1295 . 1 1 121 121 PRO HG3 H 1 0.57 . . 2 . . . . . . . . 4242 1 1296 . 1 1 121 121 PRO HD2 H 1 4.41 . . 2 . . . . . . . . 4242 1 1297 . 1 1 121 121 PRO HD3 H 1 3.6 . . 2 . . . . . . . . 4242 1 1298 . 1 1 121 121 PRO CA C 13 61.4 . . 1 . . . . . . . . 4242 1 1299 . 1 1 121 121 PRO CB C 13 31.00 . . 1 . . . . . . . . 4242 1 1300 . 1 1 121 121 PRO CG C 13 25.8 . . 1 . . . . . . . . 4242 1 1301 . 1 1 121 121 PRO CD C 13 49.8 . . 1 . . . . . . . . 4242 1 1302 . 1 1 122 122 ILE H H 1 7.47 . . 1 . . . . . . . . 4242 1 1303 . 1 1 122 122 ILE HA H 1 4.48 . . 1 . . . . . . . . 4242 1 1304 . 1 1 122 122 ILE HB H 1 1.17 . . 1 . . . . . . . . 4242 1 1305 . 1 1 122 122 ILE HG12 H 1 1.19 . . 2 . . . . . . . . 4242 1 1306 . 1 1 122 122 ILE HG13 H 1 0.57 . . 2 . . . . . . . . 4242 1 1307 . 1 1 122 122 ILE HG21 H 1 -0.24 . . 1 . . . . . . . . 4242 1 1308 . 1 1 122 122 ILE HG22 H 1 -0.24 . . 1 . . . . . . . . 4242 1 1309 . 1 1 122 122 ILE HG23 H 1 -0.24 . . 1 . . . . . . . . 4242 1 1310 . 1 1 122 122 ILE HD11 H 1 0.54 . . 1 . . . . . . . . 4242 1 1311 . 1 1 122 122 ILE HD12 H 1 0.54 . . 1 . . . . . . . . 4242 1 1312 . 1 1 122 122 ILE HD13 H 1 0.54 . . 1 . . . . . . . . 4242 1 1313 . 1 1 122 122 ILE CA C 13 57.2 . . 1 . . . . . . . . 4242 1 1314 . 1 1 122 122 ILE CB C 13 37.00 . . 1 . . . . . . . . 4242 1 1315 . 1 1 122 122 ILE CG1 C 13 25.8 . . 1 . . . . . . . . 4242 1 1316 . 1 1 122 122 ILE CG2 C 13 15.2 . . 1 . . . . . . . . 4242 1 1317 . 1 1 122 122 ILE CD1 C 13 12.4 . . 1 . . . . . . . . 4242 1 1318 . 1 1 122 122 ILE N N 15 127.5 . . 1 . . . . . . . . 4242 1 1319 . 1 1 123 123 GLU H H 1 8.46 . . 1 . . . . . . . . 4242 1 1320 . 1 1 123 123 GLU HA H 1 4.68 . . 1 . . . . . . . . 4242 1 1321 . 1 1 123 123 GLU HB2 H 1 1.85 . . 2 . . . . . . . . 4242 1 1322 . 1 1 123 123 GLU HB3 H 1 1.75 . . 2 . . . . . . . . 4242 1 1323 . 1 1 123 123 GLU CA C 13 51.9 . . 1 . . . . . . . . 4242 1 1324 . 1 1 123 123 GLU CB C 13 31.8 . . 1 . . . . . . . . 4242 1 1325 . 1 1 123 123 GLU N N 15 134.6 . . 1 . . . . . . . . 4242 1 1326 . 1 1 124 124 TYR H H 1 8.83 . . 1 . . . . . . . . 4242 1 1327 . 1 1 124 124 TYR HA H 1 4.83 . . 1 . . . . . . . . 4242 1 1328 . 1 1 124 124 TYR HB2 H 1 3.12 . . 1 . . . . . . . . 4242 1 1329 . 1 1 124 124 TYR HB3 H 1 2.79 . . 1 . . . . . . . . 4242 1 1330 . 1 1 124 124 TYR HD1 H 1 7.22 . . 1 . . . . . . . . 4242 1 1331 . 1 1 124 124 TYR HD2 H 1 7.22 . . 1 . . . . . . . . 4242 1 1332 . 1 1 124 124 TYR HE1 H 1 6.64 . . 1 . . . . . . . . 4242 1 1333 . 1 1 124 124 TYR HE2 H 1 6.64 . . 1 . . . . . . . . 4242 1 1334 . 1 1 124 124 TYR CA C 13 56.7 . . 1 . . . . . . . . 4242 1 1335 . 1 1 124 124 TYR CB C 13 36.7 . . 1 . . . . . . . . 4242 1 1336 . 1 1 124 124 TYR CD1 C 13 132.1 . . 1 . . . . . . . . 4242 1 1337 . 1 1 124 124 TYR CD2 C 13 132.1 . . 1 . . . . . . . . 4242 1 1338 . 1 1 124 124 TYR CE1 C 13 116.8 . . 1 . . . . . . . . 4242 1 1339 . 1 1 124 124 TYR CE2 C 13 116.8 . . 1 . . . . . . . . 4242 1 1340 . 1 1 124 124 TYR N N 15 130.6 . . 1 . . . . . . . . 4242 1 1341 . 1 1 125 125 ASN H H 1 8.43 . . 1 . . . . . . . . 4242 1 1342 . 1 1 125 125 ASN HA H 1 4.97 . . 1 . . . . . . . . 4242 1 1343 . 1 1 125 125 ASN HB2 H 1 2.89 . . 2 . . . . . . . . 4242 1 1344 . 1 1 125 125 ASN HB3 H 1 2.45 . . 2 . . . . . . . . 4242 1 1345 . 1 1 125 125 ASN HD21 H 1 8.96 . . 1 . . . . . . . . 4242 1 1346 . 1 1 125 125 ASN HD22 H 1 7.36 . . 1 . . . . . . . . 4242 1 1347 . 1 1 125 125 ASN CA C 13 51.8 . . 1 . . . . . . . . 4242 1 1348 . 1 1 125 125 ASN CB C 13 38.3 . . 1 . . . . . . . . 4242 1 1349 . 1 1 125 125 ASN N N 15 130.7 . . 1 . . . . . . . . 4242 1 1350 . 1 1 125 125 ASN ND2 N 15 125.6 . . 1 . . . . . . . . 4242 1 1351 . 1 1 126 126 LEU H H 1 8.2 . . 1 . . . . . . . . 4242 1 1352 . 1 1 126 126 LEU HA H 1 4.41 . . 1 . . . . . . . . 4242 1 1353 . 1 1 126 126 LEU HB2 H 1 1.78 . . 1 . . . . . . . . 4242 1 1354 . 1 1 126 126 LEU HB3 H 1 1.78 . . 1 . . . . . . . . 4242 1 1355 . 1 1 126 126 LEU HG H 1 1.9 . . 1 . . . . . . . . 4242 1 1356 . 1 1 126 126 LEU HD11 H 1 1.04 . . 1 . . . . . . . . 4242 1 1357 . 1 1 126 126 LEU HD12 H 1 1.04 . . 1 . . . . . . . . 4242 1 1358 . 1 1 126 126 LEU HD13 H 1 1.04 . . 1 . . . . . . . . 4242 1 1359 . 1 1 126 126 LEU HD21 H 1 1.04 . . 1 . . . . . . . . 4242 1 1360 . 1 1 126 126 LEU HD22 H 1 1.04 . . 1 . . . . . . . . 4242 1 1361 . 1 1 126 126 LEU HD23 H 1 1.04 . . 1 . . . . . . . . 4242 1 1362 . 1 1 126 126 LEU CA C 13 56.7 . . 1 . . . . . . . . 4242 1 1363 . 1 1 126 126 LEU CB C 13 42.6 . . 1 . . . . . . . . 4242 1 1364 . 1 1 126 126 LEU CG C 13 26.8 . . 1 . . . . . . . . 4242 1 1365 . 1 1 126 126 LEU CD1 C 13 24.1 . . 2 . . . . . . . . 4242 1 1366 . 1 1 126 126 LEU CD2 C 13 23.5 . . 2 . . . . . . . . 4242 1 1367 . 1 1 126 126 LEU N N 15 141.1 . . 1 . . . . . . . . 4242 1 stop_ save_