data_4158 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4158 _Entry.Title ; 1H and 15N Nuclear Magnetic Resonance Chemical Shifts of the Cytotoxic Ribonuclease Alpha-sarcin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-07-03 _Entry.Accession_date 1998-07-03 _Entry.Last_release_date 2000-03-08 _Entry.Original_release_date 2000-03-08 _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 Manuel Rico . . . 4158 2 Marta Bruix . . . 4158 3 Jorge Santoro . . . 4158 4 Ramon Campos-Olivas . . . 4158 5 Jose Perez-Canadillas . M. . 4158 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4158 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 154 4158 '1H chemical shifts' 908 4158 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 . . 2000-03-08 1998-07-03 original author . 4158 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4158 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96303820 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H and 15N Nuclear Magnetic Resonance Assignment and Secondary Structure of the Cytotoxic Ribonuclease Alpha-sarcin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 969 _Citation.Page_last 972 _Citation.Year 1996 _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 Ramon Campos-Olivas . . . 4158 1 2 Marta Bruix . . . 4158 1 3 Jorge Santoro . . . 4158 1 4 Alvaro 'Martinez del Pozo' . . . 4158 1 5 Javier Lacadena . . . 4158 1 6 Jose Gavilanes . . . 4158 1 7 Manuel Rico . . . 4158 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alpha Sarcin' 4158 1 'nuclear magnetic resonance' 4158 1 'protein structure' 4158 1 ribonuclease 4158 1 'ribosome-inactivating protein' 4158 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4158 _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., "1H, 13C and 15N Chemical Shift Referencing in Biomolecular NMR," 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. . 4158 2 2 'C G' Bigam C. G. . 4158 2 3 J Yao J. . . 4158 2 4 F Abildgaard F. . . 4158 2 5 'H J' Dyson H. J. . 4158 2 6 E Oldfield E. . . 4158 2 7 'J L' Markley J. L. . 4158 2 8 'B D' Sykes B. D. . 4158 2 stop_ save_ save_citation_two _Citation.Sf_category citations _Citation.Sf_framecode citation_two _Citation.Entry_ID 4158 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Campos-Olivas, R., "Estructura y Dinamica de Proteinas por Resonancia Magnetica Nuclear: Proteina Antifungica y Alpha Sarcina," Thesis, 85-142, Universidad Complutense de Madrid (1997) ; _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_alpha_sar _Assembly.Sf_category assembly _Assembly.Sf_framecode system_alpha_sar _Assembly.Entry_ID 4158 _Assembly.ID 1 _Assembly.Name 'Ribonuclease alpha-sarcin' _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 'not reported' _Assembly.Molecular_mass 16981 _Assembly.Enzyme_commission_number 3.1.27.10 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4158 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 'alpha sarcin' 1 $alpha_sar . . . native . . . . . 4158 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1DE3 . 'A Chain A, Solution Structure Of The Cytotoxic Ribonuclease Alpha- Sarcin' . . . . 4158 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID alpha_sarcin abbreviation 4158 1 'Ribonuclease alpha-sarcin' system 4158 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Cytotoxic endoribonuclease' 4158 1 'Ribosome Inactivating Protein' 4158 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alpha_sar _Entity.Sf_category entity _Entity.Sf_framecode alpha_sar _Entity.Entry_ID 4158 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ribonuclease alpha-sarcin' _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 ; AVTWTCLNDQKNPKTNKYET KRLLYNQNKAESNSHHAPLS DGKTGSSYPHWFTNGYDGDG KLPKGRTPIKFGKSDCDRPP KHSKDGNGKTDHYLLEFPTF PDGHDYKFDSKKPKENPGPA RVIYTYPNKVFCGIIAHTKE NQGELKLCSH ; _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.27.10'= _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16981 _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 1DE3 . "Solution Structure Of The Cytotoxic Ribonuclease Alpha- Sarcin" . . . . . 99.33 150 100.00 100.00 1.36e-104 . . . . 4158 1 2 no DBJ BAA02863 . "alpha sarcin precursor [Aspergillus giganteus]" . . . . . 100.00 177 100.00 100.00 1.54e-106 . . . . 4158 1 3 no EMBL CAA37471 . "alpha-sarcin [synthetic construct]" . . . . . 100.00 150 100.00 100.00 2.10e-105 . . . . 4158 1 4 no EMBL CAA43180 . "alpha-sarcin [Aspergillus giganteus]" . . . . . 100.00 177 100.00 100.00 1.54e-106 . . . . 4158 1 5 no GB AAB66603 . "a-sarcin precursor [Penicillium daleae]" . . . . . 100.00 177 98.00 100.00 7.27e-105 . . . . 4158 1 6 no GB AAB66605 . "a-sarcin precursor [Talaromyces aculeatus]" . . . . . 100.00 177 98.00 100.00 7.27e-105 . . . . 4158 1 7 no GB ACA34736 . "ribotoxin, partial [Aspergillus clavatonanicus]" . . . . . 94.00 144 100.00 100.00 3.05e-98 . . . . 4158 1 8 no SP P00655 . "RecName: Full=Ribonuclease alpha-sarcin; AltName: Full=rRNA endonuclease; Flags: Precursor" . . . . . 100.00 177 100.00 100.00 1.54e-106 . . . . 4158 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID alpha_sar abbreviation 4158 1 'Ribonuclease alpha-sarcin' common 4158 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 . 4158 1 2 . VAL . 4158 1 3 . THR . 4158 1 4 . TRP . 4158 1 5 . THR . 4158 1 6 . CYS . 4158 1 7 . LEU . 4158 1 8 . ASN . 4158 1 9 . ASP . 4158 1 10 . GLN . 4158 1 11 . LYS . 4158 1 12 . ASN . 4158 1 13 . PRO . 4158 1 14 . LYS . 4158 1 15 . THR . 4158 1 16 . ASN . 4158 1 17 . LYS . 4158 1 18 . TYR . 4158 1 19 . GLU . 4158 1 20 . THR . 4158 1 21 . LYS . 4158 1 22 . ARG . 4158 1 23 . LEU . 4158 1 24 . LEU . 4158 1 25 . TYR . 4158 1 26 . ASN . 4158 1 27 . GLN . 4158 1 28 . ASN . 4158 1 29 . LYS . 4158 1 30 . ALA . 4158 1 31 . GLU . 4158 1 32 . SER . 4158 1 33 . ASN . 4158 1 34 . SER . 4158 1 35 . HIS . 4158 1 36 . HIS . 4158 1 37 . ALA . 4158 1 38 . PRO . 4158 1 39 . LEU . 4158 1 40 . SER . 4158 1 41 . ASP . 4158 1 42 . GLY . 4158 1 43 . LYS . 4158 1 44 . THR . 4158 1 45 . GLY . 4158 1 46 . SER . 4158 1 47 . SER . 4158 1 48 . TYR . 4158 1 49 . PRO . 4158 1 50 . HIS . 4158 1 51 . TRP . 4158 1 52 . PHE . 4158 1 53 . THR . 4158 1 54 . ASN . 4158 1 55 . GLY . 4158 1 56 . TYR . 4158 1 57 . ASP . 4158 1 58 . GLY . 4158 1 59 . ASP . 4158 1 60 . GLY . 4158 1 61 . LYS . 4158 1 62 . LEU . 4158 1 63 . PRO . 4158 1 64 . LYS . 4158 1 65 . GLY . 4158 1 66 . ARG . 4158 1 67 . THR . 4158 1 68 . PRO . 4158 1 69 . ILE . 4158 1 70 . LYS . 4158 1 71 . PHE . 4158 1 72 . GLY . 4158 1 73 . LYS . 4158 1 74 . SER . 4158 1 75 . ASP . 4158 1 76 . CYS . 4158 1 77 . ASP . 4158 1 78 . ARG . 4158 1 79 . PRO . 4158 1 80 . PRO . 4158 1 81 . LYS . 4158 1 82 . HIS . 4158 1 83 . SER . 4158 1 84 . LYS . 4158 1 85 . ASP . 4158 1 86 . GLY . 4158 1 87 . ASN . 4158 1 88 . GLY . 4158 1 89 . LYS . 4158 1 90 . THR . 4158 1 91 . ASP . 4158 1 92 . HIS . 4158 1 93 . TYR . 4158 1 94 . LEU . 4158 1 95 . LEU . 4158 1 96 . GLU . 4158 1 97 . PHE . 4158 1 98 . PRO . 4158 1 99 . THR . 4158 1 100 . PHE . 4158 1 101 . PRO . 4158 1 102 . ASP . 4158 1 103 . GLY . 4158 1 104 . HIS . 4158 1 105 . ASP . 4158 1 106 . TYR . 4158 1 107 . LYS . 4158 1 108 . PHE . 4158 1 109 . ASP . 4158 1 110 . SER . 4158 1 111 . LYS . 4158 1 112 . LYS . 4158 1 113 . PRO . 4158 1 114 . LYS . 4158 1 115 . GLU . 4158 1 116 . ASN . 4158 1 117 . PRO . 4158 1 118 . GLY . 4158 1 119 . PRO . 4158 1 120 . ALA . 4158 1 121 . ARG . 4158 1 122 . VAL . 4158 1 123 . ILE . 4158 1 124 . TYR . 4158 1 125 . THR . 4158 1 126 . TYR . 4158 1 127 . PRO . 4158 1 128 . ASN . 4158 1 129 . LYS . 4158 1 130 . VAL . 4158 1 131 . PHE . 4158 1 132 . CYS . 4158 1 133 . GLY . 4158 1 134 . ILE . 4158 1 135 . ILE . 4158 1 136 . ALA . 4158 1 137 . HIS . 4158 1 138 . THR . 4158 1 139 . LYS . 4158 1 140 . GLU . 4158 1 141 . ASN . 4158 1 142 . GLN . 4158 1 143 . GLY . 4158 1 144 . GLU . 4158 1 145 . LEU . 4158 1 146 . LYS . 4158 1 147 . LEU . 4158 1 148 . CYS . 4158 1 149 . SER . 4158 1 150 . HIS . 4158 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 4158 1 . VAL 2 2 4158 1 . THR 3 3 4158 1 . TRP 4 4 4158 1 . THR 5 5 4158 1 . CYS 6 6 4158 1 . LEU 7 7 4158 1 . ASN 8 8 4158 1 . ASP 9 9 4158 1 . GLN 10 10 4158 1 . LYS 11 11 4158 1 . ASN 12 12 4158 1 . PRO 13 13 4158 1 . LYS 14 14 4158 1 . THR 15 15 4158 1 . ASN 16 16 4158 1 . LYS 17 17 4158 1 . TYR 18 18 4158 1 . GLU 19 19 4158 1 . THR 20 20 4158 1 . LYS 21 21 4158 1 . ARG 22 22 4158 1 . LEU 23 23 4158 1 . LEU 24 24 4158 1 . TYR 25 25 4158 1 . ASN 26 26 4158 1 . GLN 27 27 4158 1 . ASN 28 28 4158 1 . LYS 29 29 4158 1 . ALA 30 30 4158 1 . GLU 31 31 4158 1 . SER 32 32 4158 1 . ASN 33 33 4158 1 . SER 34 34 4158 1 . HIS 35 35 4158 1 . HIS 36 36 4158 1 . ALA 37 37 4158 1 . PRO 38 38 4158 1 . LEU 39 39 4158 1 . SER 40 40 4158 1 . ASP 41 41 4158 1 . GLY 42 42 4158 1 . LYS 43 43 4158 1 . THR 44 44 4158 1 . GLY 45 45 4158 1 . SER 46 46 4158 1 . SER 47 47 4158 1 . TYR 48 48 4158 1 . PRO 49 49 4158 1 . HIS 50 50 4158 1 . TRP 51 51 4158 1 . PHE 52 52 4158 1 . THR 53 53 4158 1 . ASN 54 54 4158 1 . GLY 55 55 4158 1 . TYR 56 56 4158 1 . ASP 57 57 4158 1 . GLY 58 58 4158 1 . ASP 59 59 4158 1 . GLY 60 60 4158 1 . LYS 61 61 4158 1 . LEU 62 62 4158 1 . PRO 63 63 4158 1 . LYS 64 64 4158 1 . GLY 65 65 4158 1 . ARG 66 66 4158 1 . THR 67 67 4158 1 . PRO 68 68 4158 1 . ILE 69 69 4158 1 . LYS 70 70 4158 1 . PHE 71 71 4158 1 . GLY 72 72 4158 1 . LYS 73 73 4158 1 . SER 74 74 4158 1 . ASP 75 75 4158 1 . CYS 76 76 4158 1 . ASP 77 77 4158 1 . ARG 78 78 4158 1 . PRO 79 79 4158 1 . PRO 80 80 4158 1 . LYS 81 81 4158 1 . HIS 82 82 4158 1 . SER 83 83 4158 1 . LYS 84 84 4158 1 . ASP 85 85 4158 1 . GLY 86 86 4158 1 . ASN 87 87 4158 1 . GLY 88 88 4158 1 . LYS 89 89 4158 1 . THR 90 90 4158 1 . ASP 91 91 4158 1 . HIS 92 92 4158 1 . TYR 93 93 4158 1 . LEU 94 94 4158 1 . LEU 95 95 4158 1 . GLU 96 96 4158 1 . PHE 97 97 4158 1 . PRO 98 98 4158 1 . THR 99 99 4158 1 . PHE 100 100 4158 1 . PRO 101 101 4158 1 . ASP 102 102 4158 1 . GLY 103 103 4158 1 . HIS 104 104 4158 1 . ASP 105 105 4158 1 . TYR 106 106 4158 1 . LYS 107 107 4158 1 . PHE 108 108 4158 1 . ASP 109 109 4158 1 . SER 110 110 4158 1 . LYS 111 111 4158 1 . LYS 112 112 4158 1 . PRO 113 113 4158 1 . LYS 114 114 4158 1 . GLU 115 115 4158 1 . ASN 116 116 4158 1 . PRO 117 117 4158 1 . GLY 118 118 4158 1 . PRO 119 119 4158 1 . ALA 120 120 4158 1 . ARG 121 121 4158 1 . VAL 122 122 4158 1 . ILE 123 123 4158 1 . TYR 124 124 4158 1 . THR 125 125 4158 1 . TYR 126 126 4158 1 . PRO 127 127 4158 1 . ASN 128 128 4158 1 . LYS 129 129 4158 1 . VAL 130 130 4158 1 . PHE 131 131 4158 1 . CYS 132 132 4158 1 . GLY 133 133 4158 1 . ILE 134 134 4158 1 . ILE 135 135 4158 1 . ALA 136 136 4158 1 . HIS 137 137 4158 1 . THR 138 138 4158 1 . LYS 139 139 4158 1 . GLU 140 140 4158 1 . ASN 141 141 4158 1 . GLN 142 142 4158 1 . GLY 143 143 4158 1 . GLU 144 144 4158 1 . LEU 145 145 4158 1 . LYS 146 146 4158 1 . LEU 147 147 4158 1 . CYS 148 148 4158 1 . SER 149 149 4158 1 . HIS 150 150 4158 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 4158 _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 $alpha_sar . 5060 organism . 'Aspergillus giganteus' 'Aspergillus giganteus' . . Eukaryota Fungi Aspergillus giganteus 'MDH 18894' . . . . . . mycelia . . . . . extracellular . . . . . . . 4158 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 4158 _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 $alpha_sar . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli RB791 . . . . . . . . . . . . plasmid . . pINPGaS . . . cDNA . . 4158 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4158 _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 'Ribonuclease alpha-sarcin' [U-15N] . . 1 $alpha_sar . . 1.5 . . mM . . . . 4158 1 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 4158 _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 4.0 0.1 n/a 4158 1 temperature 306 0.1 K 4158 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4158 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4158 _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 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4158 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 4158 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4158 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 4158 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0 internal direct . . . . . . . . . . 4158 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect . . . . . . . 0.101329118 2 $citation_one 4158 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_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4158 _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 . 4158 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 4.30 0.01 . 1 . . . . . . . . 4158 1 2 . 1 1 1 1 ALA HB1 H 1 1.57 0.01 . 1 . . . . . . . . 4158 1 3 . 1 1 1 1 ALA HB2 H 1 1.57 0.01 . 1 . . . . . . . . 4158 1 4 . 1 1 1 1 ALA HB3 H 1 1.57 0.01 . 1 . . . . . . . . 4158 1 5 . 1 1 2 2 VAL H H 1 8.76 0.01 . 1 . . . . . . . . 4158 1 6 . 1 1 2 2 VAL HA H 1 4.16 0.01 . 1 . . . . . . . . 4158 1 7 . 1 1 2 2 VAL HB H 1 2.08 0.01 . 1 . . . . . . . . 4158 1 8 . 1 1 2 2 VAL HG11 H 1 0.91 0.01 . 1 . . . . . . . . 4158 1 9 . 1 1 2 2 VAL HG12 H 1 0.91 0.01 . 1 . . . . . . . . 4158 1 10 . 1 1 2 2 VAL HG13 H 1 0.91 0.01 . 1 . . . . . . . . 4158 1 11 . 1 1 2 2 VAL HG21 H 1 1.06 0.01 . 1 . . . . . . . . 4158 1 12 . 1 1 2 2 VAL HG22 H 1 1.06 0.01 . 1 . . . . . . . . 4158 1 13 . 1 1 2 2 VAL HG23 H 1 1.06 0.01 . 1 . . . . . . . . 4158 1 14 . 1 1 2 2 VAL N N 15 124.0 0.1 . 1 . . . . . . . . 4158 1 15 . 1 1 3 3 THR H H 1 8.53 0.01 . 1 . . . . . . . . 4158 1 16 . 1 1 3 3 THR HA H 1 5.31 0.01 . 1 . . . . . . . . 4158 1 17 . 1 1 3 3 THR HB H 1 4.05 0.01 . 1 . . . . . . . . 4158 1 18 . 1 1 3 3 THR HG21 H 1 1.27 0.01 . 1 . . . . . . . . 4158 1 19 . 1 1 3 3 THR HG22 H 1 1.27 0.01 . 1 . . . . . . . . 4158 1 20 . 1 1 3 3 THR HG23 H 1 1.27 0.01 . 1 . . . . . . . . 4158 1 21 . 1 1 3 3 THR N N 15 125.8 0.1 . 1 . . . . . . . . 4158 1 22 . 1 1 4 4 TRP H H 1 10.24 0.01 . 1 . . . . . . . . 4158 1 23 . 1 1 4 4 TRP HA H 1 5.56 0.01 . 1 . . . . . . . . 4158 1 24 . 1 1 4 4 TRP HB2 H 1 3.21 0.01 . 2 . . . . . . . . 4158 1 25 . 1 1 4 4 TRP HB3 H 1 3.15 0.01 . 2 . . . . . . . . 4158 1 26 . 1 1 4 4 TRP HD1 H 1 7.26 0.01 . 1 . . . . . . . . 4158 1 27 . 1 1 4 4 TRP HE1 H 1 11.32 0.01 . 1 . . . . . . . . 4158 1 28 . 1 1 4 4 TRP HE3 H 1 7.40 0.01 . 1 . . . . . . . . 4158 1 29 . 1 1 4 4 TRP HZ2 H 1 7.46 0.01 . 1 . . . . . . . . 4158 1 30 . 1 1 4 4 TRP HZ3 H 1 7.38 0.01 . 1 . . . . . . . . 4158 1 31 . 1 1 4 4 TRP HH2 H 1 7.48 0.01 . 1 . . . . . . . . 4158 1 32 . 1 1 4 4 TRP N N 15 132.3 0.1 . 1 . . . . . . . . 4158 1 33 . 1 1 4 4 TRP NE1 N 15 134.7 0.1 . 1 . . . . . . . . 4158 1 34 . 1 1 5 5 THR H H 1 9.63 0.01 . 1 . . . . . . . . 4158 1 35 . 1 1 5 5 THR HA H 1 5.47 0.01 . 1 . . . . . . . . 4158 1 36 . 1 1 5 5 THR HB H 1 4.02 0.01 . 1 . . . . . . . . 4158 1 37 . 1 1 5 5 THR HG21 H 1 1.16 0.01 . 1 . . . . . . . . 4158 1 38 . 1 1 5 5 THR HG22 H 1 1.16 0.01 . 1 . . . . . . . . 4158 1 39 . 1 1 5 5 THR HG23 H 1 1.16 0.01 . 1 . . . . . . . . 4158 1 40 . 1 1 6 6 CYS H H 1 10.26 0.01 . 1 . . . . . . . . 4158 1 41 . 1 1 6 6 CYS HA H 1 5.39 0.01 . 1 . . . . . . . . 4158 1 42 . 1 1 6 6 CYS HB2 H 1 2.97 0.01 . 1 . . . . . . . . 4158 1 43 . 1 1 6 6 CYS HB3 H 1 2.97 0.01 . 1 . . . . . . . . 4158 1 44 . 1 1 6 6 CYS N N 15 129.0 0.1 . 1 . . . . . . . . 4158 1 45 . 1 1 7 7 LEU H H 1 8.91 0.01 . 1 . . . . . . . . 4158 1 46 . 1 1 7 7 LEU HA H 1 5.00 0.01 . 1 . . . . . . . . 4158 1 47 . 1 1 7 7 LEU HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4158 1 48 . 1 1 7 7 LEU HB3 H 1 1.38 0.01 . 2 . . . . . . . . 4158 1 49 . 1 1 7 7 LEU HG H 1 1.79 0.01 . 1 . . . . . . . . 4158 1 50 . 1 1 7 7 LEU HD11 H 1 0.98 0.01 . 1 . . . . . . . . 4158 1 51 . 1 1 7 7 LEU HD12 H 1 0.98 0.01 . 1 . . . . . . . . 4158 1 52 . 1 1 7 7 LEU HD13 H 1 0.98 0.01 . 1 . . . . . . . . 4158 1 53 . 1 1 7 7 LEU HD21 H 1 0.86 0.01 . 1 . . . . . . . . 4158 1 54 . 1 1 7 7 LEU HD22 H 1 0.86 0.01 . 1 . . . . . . . . 4158 1 55 . 1 1 7 7 LEU HD23 H 1 0.86 0.01 . 1 . . . . . . . . 4158 1 56 . 1 1 7 7 LEU N N 15 125.4 0.1 . 1 . . . . . . . . 4158 1 57 . 1 1 8 8 ASN H H 1 8.94 0.01 . 1 . . . . . . . . 4158 1 58 . 1 1 8 8 ASN HA H 1 5.00 0.01 . 1 . . . . . . . . 4158 1 59 . 1 1 8 8 ASN HB2 H 1 2.55 0.01 . 2 . . . . . . . . 4158 1 60 . 1 1 8 8 ASN HB3 H 1 2.45 0.01 . 2 . . . . . . . . 4158 1 61 . 1 1 8 8 ASN HD21 H 1 8.40 0.01 . 1 . . . . . . . . 4158 1 62 . 1 1 8 8 ASN HD22 H 1 7.39 0.01 . 1 . . . . . . . . 4158 1 63 . 1 1 8 8 ASN N N 15 122.8 0.1 . 1 . . . . . . . . 4158 1 64 . 1 1 8 8 ASN ND2 N 15 113.4 0.1 . 1 . . . . . . . . 4158 1 65 . 1 1 9 9 ASP H H 1 9.05 0.01 . 1 . . . . . . . . 4158 1 66 . 1 1 9 9 ASP HA H 1 5.51 0.01 . 1 . . . . . . . . 4158 1 67 . 1 1 9 9 ASP HB2 H 1 2.81 0.01 . 2 . . . . . . . . 4158 1 68 . 1 1 9 9 ASP HB3 H 1 2.46 0.01 . 2 . . . . . . . . 4158 1 69 . 1 1 9 9 ASP N N 15 131.4 0.1 . 1 . . . . . . . . 4158 1 70 . 1 1 10 10 GLN H H 1 9.07 0.01 . 1 . . . . . . . . 4158 1 71 . 1 1 10 10 GLN HA H 1 4.91 0.01 . 1 . . . . . . . . 4158 1 72 . 1 1 10 10 GLN HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4158 1 73 . 1 1 10 10 GLN HB3 H 1 1.81 0.01 . 2 . . . . . . . . 4158 1 74 . 1 1 10 10 GLN HG2 H 1 2.54 0.01 . 2 . . . . . . . . 4158 1 75 . 1 1 10 10 GLN HG3 H 1 2.50 0.01 . 2 . . . . . . . . 4158 1 76 . 1 1 10 10 GLN HE21 H 1 8.10 0.01 . 1 . . . . . . . . 4158 1 77 . 1 1 10 10 GLN HE22 H 1 6.92 0.01 . 1 . . . . . . . . 4158 1 78 . 1 1 10 10 GLN N N 15 122.1 0.1 . 1 . . . . . . . . 4158 1 79 . 1 1 10 10 GLN NE2 N 15 111.8 0.1 . 1 . . . . . . . . 4158 1 80 . 1 1 11 11 LYS H H 1 9.09 0.01 . 1 . . . . . . . . 4158 1 81 . 1 1 11 11 LYS HA H 1 3.57 0.01 . 1 . . . . . . . . 4158 1 82 . 1 1 11 11 LYS HB2 H 1 1.43 0.01 . 2 . . . . . . . . 4158 1 83 . 1 1 11 11 LYS HB3 H 1 1.10 0.01 . 2 . . . . . . . . 4158 1 84 . 1 1 11 11 LYS HG2 H 1 0.70 0.01 . 2 . . . . . . . . 4158 1 85 . 1 1 11 11 LYS HG3 H 1 0.55 0.01 . 2 . . . . . . . . 4158 1 86 . 1 1 11 11 LYS HD2 H 1 1.36 0.01 . 2 . . . . . . . . 4158 1 87 . 1 1 11 11 LYS HE2 H 1 2.71 0.01 . 2 . . . . . . . . 4158 1 88 . 1 1 11 11 LYS N N 15 127.6 0.1 . 1 . . . . . . . . 4158 1 89 . 1 1 12 12 ASN H H 1 8.70 0.01 . 1 . . . . . . . . 4158 1 90 . 1 1 12 12 ASN HA H 1 4.96 0.01 . 1 . . . . . . . . 4158 1 91 . 1 1 12 12 ASN HB2 H 1 3.44 0.01 . 2 . . . . . . . . 4158 1 92 . 1 1 12 12 ASN HB3 H 1 2.67 0.01 . 2 . . . . . . . . 4158 1 93 . 1 1 12 12 ASN HD21 H 1 8.18 0.01 . 1 . . . . . . . . 4158 1 94 . 1 1 12 12 ASN HD22 H 1 7.21 0.01 . 1 . . . . . . . . 4158 1 95 . 1 1 12 12 ASN N N 15 130.3 0.1 . 1 . . . . . . . . 4158 1 96 . 1 1 12 12 ASN ND2 N 15 116.6 0.1 . 1 . . . . . . . . 4158 1 97 . 1 1 13 13 PRO HA H 1 3.63 0.01 . 1 . . . . . . . . 4158 1 98 . 1 1 13 13 PRO HB2 H 1 2.40 0.01 . 2 . . . . . . . . 4158 1 99 . 1 1 13 13 PRO HB3 H 1 2.07 0.01 . 2 . . . . . . . . 4158 1 100 . 1 1 13 13 PRO HG2 H 1 2.13 0.01 . 2 . . . . . . . . 4158 1 101 . 1 1 13 13 PRO HG3 H 1 2.07 0.01 . 2 . . . . . . . . 4158 1 102 . 1 1 13 13 PRO HD2 H 1 4.09 0.01 . 2 . . . . . . . . 4158 1 103 . 1 1 13 13 PRO HD3 H 1 3.92 0.01 . 2 . . . . . . . . 4158 1 104 . 1 1 14 14 LYS H H 1 8.34 0.01 . 1 . . . . . . . . 4158 1 105 . 1 1 14 14 LYS HA H 1 4.35 0.01 . 1 . . . . . . . . 4158 1 106 . 1 1 14 14 LYS HB2 H 1 1.96 0.01 . 2 . . . . . . . . 4158 1 107 . 1 1 14 14 LYS HB3 H 1 1.77 0.01 . 2 . . . . . . . . 4158 1 108 . 1 1 14 14 LYS HG2 H 1 1.57 0.01 . 2 . . . . . . . . 4158 1 109 . 1 1 14 14 LYS HG3 H 1 1.46 0.01 . 2 . . . . . . . . 4158 1 110 . 1 1 14 14 LYS N N 15 117.7 0.1 . 1 . . . . . . . . 4158 1 111 . 1 1 15 15 THR H H 1 7.34 0.01 . 1 . . . . . . . . 4158 1 112 . 1 1 15 15 THR HA H 1 4.41 0.01 . 1 . . . . . . . . 4158 1 113 . 1 1 15 15 THR HB H 1 4.40 0.01 . 1 . . . . . . . . 4158 1 114 . 1 1 15 15 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 4158 1 115 . 1 1 15 15 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 4158 1 116 . 1 1 15 15 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 4158 1 117 . 1 1 15 15 THR N N 15 106.9 0.1 . 1 . . . . . . . . 4158 1 118 . 1 1 16 16 ASN H H 1 8.62 0.01 . 1 . . . . . . . . 4158 1 119 . 1 1 16 16 ASN HA H 1 4.19 0.01 . 1 . . . . . . . . 4158 1 120 . 1 1 16 16 ASN HB2 H 1 3.15 0.01 . 2 . . . . . . . . 4158 1 121 . 1 1 16 16 ASN HB3 H 1 2.87 0.01 . 2 . . . . . . . . 4158 1 122 . 1 1 16 16 ASN HD21 H 1 7.47 0.01 . 1 . . . . . . . . 4158 1 123 . 1 1 16 16 ASN HD22 H 1 6.81 0.01 . 1 . . . . . . . . 4158 1 124 . 1 1 16 16 ASN N N 15 113.4 0.1 . 1 . . . . . . . . 4158 1 125 . 1 1 16 16 ASN ND2 N 15 118.0 0.1 . 1 . . . . . . . . 4158 1 126 . 1 1 17 17 LYS H H 1 7.56 0.01 . 1 . . . . . . . . 4158 1 127 . 1 1 17 17 LYS HA H 1 4.66 0.01 . 1 . . . . . . . . 4158 1 128 . 1 1 17 17 LYS HB2 H 1 1.92 0.01 . 2 . . . . . . . . 4158 1 129 . 1 1 17 17 LYS HB3 H 1 1.70 0.01 . 2 . . . . . . . . 4158 1 130 . 1 1 17 17 LYS HG2 H 1 1.52 0.01 . 2 . . . . . . . . 4158 1 131 . 1 1 17 17 LYS HG3 H 1 1.45 0.01 . 2 . . . . . . . . 4158 1 132 . 1 1 17 17 LYS N N 15 117.8 0.1 . 1 . . . . . . . . 4158 1 133 . 1 1 18 18 TYR H H 1 8.84 0.01 . 1 . . . . . . . . 4158 1 134 . 1 1 18 18 TYR HA H 1 4.53 0.01 . 1 . . . . . . . . 4158 1 135 . 1 1 18 18 TYR HB2 H 1 2.94 0.01 . 2 . . . . . . . . 4158 1 136 . 1 1 18 18 TYR HB3 H 1 2.70 0.01 . 2 . . . . . . . . 4158 1 137 . 1 1 18 18 TYR HD1 H 1 6.98 0.01 . 1 . . . . . . . . 4158 1 138 . 1 1 18 18 TYR HD2 H 1 6.98 0.01 . 1 . . . . . . . . 4158 1 139 . 1 1 18 18 TYR HE1 H 1 6.82 0.01 . 1 . . . . . . . . 4158 1 140 . 1 1 18 18 TYR HE2 H 1 6.82 0.01 . 1 . . . . . . . . 4158 1 141 . 1 1 18 18 TYR N N 15 121.6 0.1 . 1 . . . . . . . . 4158 1 142 . 1 1 19 19 GLU H H 1 8.90 0.01 . 1 . . . . . . . . 4158 1 143 . 1 1 19 19 GLU HA H 1 4.82 0.01 . 1 . . . . . . . . 4158 1 144 . 1 1 19 19 GLU HB2 H 1 2.13 0.01 . 2 . . . . . . . . 4158 1 145 . 1 1 19 19 GLU HB3 H 1 2.02 0.01 . 2 . . . . . . . . 4158 1 146 . 1 1 19 19 GLU HG2 H 1 2.37 0.01 . 2 . . . . . . . . 4158 1 147 . 1 1 19 19 GLU HG3 H 1 2.29 0.01 . 2 . . . . . . . . 4158 1 148 . 1 1 19 19 GLU N N 15 122.7 0.1 . 1 . . . . . . . . 4158 1 149 . 1 1 20 20 THR H H 1 8.89 0.01 . 1 . . . . . . . . 4158 1 150 . 1 1 20 20 THR HA H 1 4.57 0.01 . 1 . . . . . . . . 4158 1 151 . 1 1 20 20 THR HB H 1 3.95 0.01 . 1 . . . . . . . . 4158 1 152 . 1 1 20 20 THR HG21 H 1 1.25 0.01 . 1 . . . . . . . . 4158 1 153 . 1 1 20 20 THR HG22 H 1 1.25 0.01 . 1 . . . . . . . . 4158 1 154 . 1 1 20 20 THR HG23 H 1 1.25 0.01 . 1 . . . . . . . . 4158 1 155 . 1 1 20 20 THR N N 15 122.3 0.1 . 1 . . . . . . . . 4158 1 156 . 1 1 21 21 LYS H H 1 9.03 0.01 . 1 . . . . . . . . 4158 1 157 . 1 1 21 21 LYS HA H 1 4.68 0.01 . 1 . . . . . . . . 4158 1 158 . 1 1 21 21 LYS HB2 H 1 2.07 0.01 . 2 . . . . . . . . 4158 1 159 . 1 1 21 21 LYS HB3 H 1 1.90 0.01 . 2 . . . . . . . . 4158 1 160 . 1 1 21 21 LYS HG2 H 1 1.59 0.01 . 2 . . . . . . . . 4158 1 161 . 1 1 21 21 LYS HG3 H 1 1.54 0.01 . 2 . . . . . . . . 4158 1 162 . 1 1 21 21 LYS N N 15 131.6 0.1 . 1 . . . . . . . . 4158 1 163 . 1 1 22 22 ARG H H 1 8.43 0.01 . 1 . . . . . . . . 4158 1 164 . 1 1 22 22 ARG HA H 1 4.81 0.01 . 1 . . . . . . . . 4158 1 165 . 1 1 22 22 ARG HB2 H 1 1.78 0.01 . 2 . . . . . . . . 4158 1 166 . 1 1 22 22 ARG HG2 H 1 1.63 0.01 . 2 . . . . . . . . 4158 1 167 . 1 1 22 22 ARG HD2 H 1 3.23 0.01 . 2 . . . . . . . . 4158 1 168 . 1 1 22 22 ARG HE H 1 7.31 0.01 . 1 . . . . . . . . 4158 1 169 . 1 1 22 22 ARG N N 15 123.3 0.1 . 1 . . . . . . . . 4158 1 170 . 1 1 22 22 ARG NE N 15 84.6 0.1 . 1 . . . . . . . . 4158 1 171 . 1 1 23 23 LEU H H 1 9.08 0.01 . 1 . . . . . . . . 4158 1 172 . 1 1 23 23 LEU HA H 1 4.61 0.01 . 1 . . . . . . . . 4158 1 173 . 1 1 23 23 LEU HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4158 1 174 . 1 1 23 23 LEU HB3 H 1 1.48 0.01 . 2 . . . . . . . . 4158 1 175 . 1 1 23 23 LEU HG H 1 1.53 0.01 . 1 . . . . . . . . 4158 1 176 . 1 1 23 23 LEU HD11 H 1 0.95 0.01 . 2 . . . . . . . . 4158 1 177 . 1 1 23 23 LEU HD12 H 1 0.95 0.01 . 2 . . . . . . . . 4158 1 178 . 1 1 23 23 LEU HD13 H 1 0.95 0.01 . 2 . . . . . . . . 4158 1 179 . 1 1 23 23 LEU N N 15 129.6 0.1 . 1 . . . . . . . . 4158 1 180 . 1 1 24 24 LEU H H 1 8.11 0.01 . 1 . . . . . . . . 4158 1 181 . 1 1 24 24 LEU HA H 1 5.48 0.01 . 1 . . . . . . . . 4158 1 182 . 1 1 24 24 LEU HB2 H 1 1.64 0.01 . 2 . . . . . . . . 4158 1 183 . 1 1 24 24 LEU HB3 H 1 1.31 0.01 . 2 . . . . . . . . 4158 1 184 . 1 1 24 24 LEU HG H 1 1.72 0.01 . 1 . . . . . . . . 4158 1 185 . 1 1 24 24 LEU HD11 H 1 0.93 0.01 . 1 . . . . . . . . 4158 1 186 . 1 1 24 24 LEU HD12 H 1 0.93 0.01 . 1 . . . . . . . . 4158 1 187 . 1 1 24 24 LEU HD13 H 1 0.93 0.01 . 1 . . . . . . . . 4158 1 188 . 1 1 24 24 LEU HD21 H 1 0.88 0.01 . 1 . . . . . . . . 4158 1 189 . 1 1 24 24 LEU HD22 H 1 0.88 0.01 . 1 . . . . . . . . 4158 1 190 . 1 1 24 24 LEU HD23 H 1 0.88 0.01 . 1 . . . . . . . . 4158 1 191 . 1 1 24 24 LEU N N 15 125.3 0.1 . 1 . . . . . . . . 4158 1 192 . 1 1 25 25 TYR H H 1 9.47 0.01 . 1 . . . . . . . . 4158 1 193 . 1 1 25 25 TYR HA H 1 4.71 0.01 . 1 . . . . . . . . 4158 1 194 . 1 1 25 25 TYR HB2 H 1 2.73 0.01 . 2 . . . . . . . . 4158 1 195 . 1 1 25 25 TYR HB3 H 1 2.71 0.01 . 2 . . . . . . . . 4158 1 196 . 1 1 25 25 TYR HD1 H 1 6.92 0.01 . 1 . . . . . . . . 4158 1 197 . 1 1 25 25 TYR HD2 H 1 6.92 0.01 . 1 . . . . . . . . 4158 1 198 . 1 1 25 25 TYR HE1 H 1 6.36 0.01 . 1 . . . . . . . . 4158 1 199 . 1 1 25 25 TYR HE2 H 1 6.36 0.01 . 1 . . . . . . . . 4158 1 200 . 1 1 25 25 TYR HH H 1 9.08 0.01 . 1 . . . . . . . . 4158 1 201 . 1 1 25 25 TYR N N 15 120.2 0.1 . 1 . . . . . . . . 4158 1 202 . 1 1 26 26 ASN H H 1 9.93 0.01 . 1 . . . . . . . . 4158 1 203 . 1 1 26 26 ASN HA H 1 5.01 0.01 . 1 . . . . . . . . 4158 1 204 . 1 1 26 26 ASN HB2 H 1 3.01 0.01 . 2 . . . . . . . . 4158 1 205 . 1 1 26 26 ASN HB3 H 1 2.95 0.01 . 2 . . . . . . . . 4158 1 206 . 1 1 26 26 ASN HD21 H 1 7.93 0.01 . 1 . . . . . . . . 4158 1 207 . 1 1 26 26 ASN HD22 H 1 7.15 0.01 . 1 . . . . . . . . 4158 1 208 . 1 1 26 26 ASN N N 15 126.4 0.1 . 1 . . . . . . . . 4158 1 209 . 1 1 26 26 ASN ND2 N 15 114.4 0.1 . 1 . . . . . . . . 4158 1 210 . 1 1 27 27 GLN H H 1 9.28 0.01 . 1 . . . . . . . . 4158 1 211 . 1 1 27 27 GLN HA H 1 3.54 0.01 . 1 . . . . . . . . 4158 1 212 . 1 1 27 27 GLN HB2 H 1 2.41 0.01 . 2 . . . . . . . . 4158 1 213 . 1 1 27 27 GLN HB3 H 1 2.25 0.01 . 2 . . . . . . . . 4158 1 214 . 1 1 27 27 GLN HG2 H 1 1.91 0.01 . 2 . . . . . . . . 4158 1 215 . 1 1 27 27 GLN HG3 H 1 1.38 0.01 . 2 . . . . . . . . 4158 1 216 . 1 1 27 27 GLN HE21 H 1 7.28 0.01 . 1 . . . . . . . . 4158 1 217 . 1 1 27 27 GLN HE22 H 1 6.67 0.01 . 1 . . . . . . . . 4158 1 218 . 1 1 27 27 GLN N N 15 128.4 0.1 . 1 . . . . . . . . 4158 1 219 . 1 1 27 27 GLN NE2 N 15 113.9 0.1 . 1 . . . . . . . . 4158 1 220 . 1 1 28 28 ASN H H 1 8.25 0.01 . 1 . . . . . . . . 4158 1 221 . 1 1 28 28 ASN HA H 1 4.34 0.01 . 1 . . . . . . . . 4158 1 222 . 1 1 28 28 ASN HB2 H 1 3.06 0.01 . 2 . . . . . . . . 4158 1 223 . 1 1 28 28 ASN HB3 H 1 2.89 0.01 . 2 . . . . . . . . 4158 1 224 . 1 1 28 28 ASN HD21 H 1 7.76 0.01 . 1 . . . . . . . . 4158 1 225 . 1 1 28 28 ASN HD22 H 1 7.11 0.01 . 1 . . . . . . . . 4158 1 226 . 1 1 28 28 ASN N N 15 117.3 0.1 . 1 . . . . . . . . 4158 1 227 . 1 1 28 28 ASN ND2 N 15 114.2 0.1 . 1 . . . . . . . . 4158 1 228 . 1 1 29 29 LYS H H 1 7.83 0.01 . 1 . . . . . . . . 4158 1 229 . 1 1 29 29 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 4158 1 230 . 1 1 29 29 LYS HB2 H 1 2.37 0.01 . 2 . . . . . . . . 4158 1 231 . 1 1 29 29 LYS HB3 H 1 1.98 0.01 . 2 . . . . . . . . 4158 1 232 . 1 1 29 29 LYS HG2 H 1 1.58 0.01 . 2 . . . . . . . . 4158 1 233 . 1 1 29 29 LYS HD2 H 1 1.86 0.01 . 2 . . . . . . . . 4158 1 234 . 1 1 29 29 LYS HD3 H 1 1.80 0.01 . 2 . . . . . . . . 4158 1 235 . 1 1 29 29 LYS N N 15 122.3 0.1 . 1 . . . . . . . . 4158 1 236 . 1 1 30 30 ALA H H 1 7.94 0.01 . 1 . . . . . . . . 4158 1 237 . 1 1 30 30 ALA HA H 1 4.36 0.01 . 1 . . . . . . . . 4158 1 238 . 1 1 30 30 ALA HB1 H 1 1.34 0.01 . 1 . . . . . . . . 4158 1 239 . 1 1 30 30 ALA HB2 H 1 1.34 0.01 . 1 . . . . . . . . 4158 1 240 . 1 1 30 30 ALA HB3 H 1 1.34 0.01 . 1 . . . . . . . . 4158 1 241 . 1 1 30 30 ALA N N 15 124.3 0.1 . 1 . . . . . . . . 4158 1 242 . 1 1 31 31 GLU H H 1 8.62 0.01 . 1 . . . . . . . . 4158 1 243 . 1 1 31 31 GLU HA H 1 3.73 0.01 . 1 . . . . . . . . 4158 1 244 . 1 1 31 31 GLU HB2 H 1 1.90 0.01 . 2 . . . . . . . . 4158 1 245 . 1 1 31 31 GLU HB3 H 1 1.85 0.01 . 2 . . . . . . . . 4158 1 246 . 1 1 31 31 GLU HG2 H 1 2.18 0.01 . 2 . . . . . . . . 4158 1 247 . 1 1 31 31 GLU HG3 H 1 2.01 0.01 . 2 . . . . . . . . 4158 1 248 . 1 1 31 31 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 4158 1 249 . 1 1 32 32 SER H H 1 8.11 0.01 . 1 . . . . . . . . 4158 1 250 . 1 1 32 32 SER HA H 1 3.90 0.01 . 1 . . . . . . . . 4158 1 251 . 1 1 32 32 SER HB2 H 1 4.04 0.01 . 2 . . . . . . . . 4158 1 252 . 1 1 32 32 SER HB3 H 1 3.97 0.01 . 2 . . . . . . . . 4158 1 253 . 1 1 32 32 SER N N 15 119.2 0.1 . 1 . . . . . . . . 4158 1 254 . 1 1 33 33 ASN H H 1 8.40 0.01 . 1 . . . . . . . . 4158 1 255 . 1 1 33 33 ASN HA H 1 4.64 0.01 . 1 . . . . . . . . 4158 1 256 . 1 1 33 33 ASN HB2 H 1 3.37 0.01 . 2 . . . . . . . . 4158 1 257 . 1 1 33 33 ASN HB3 H 1 3.30 0.01 . 2 . . . . . . . . 4158 1 258 . 1 1 33 33 ASN HD21 H 1 8.29 0.01 . 1 . . . . . . . . 4158 1 259 . 1 1 33 33 ASN HD22 H 1 6.80 0.01 . 1 . . . . . . . . 4158 1 260 . 1 1 33 33 ASN N N 15 120.2 0.1 . 1 . . . . . . . . 4158 1 261 . 1 1 33 33 ASN ND2 N 15 112.0 0.1 . 1 . . . . . . . . 4158 1 262 . 1 1 34 34 SER H H 1 7.58 0.01 . 1 . . . . . . . . 4158 1 263 . 1 1 34 34 SER HA H 1 3.30 0.01 . 1 . . . . . . . . 4158 1 264 . 1 1 34 34 SER HB2 H 1 3.12 0.01 . 2 . . . . . . . . 4158 1 265 . 1 1 34 34 SER HB3 H 1 1.92 0.01 . 2 . . . . . . . . 4158 1 266 . 1 1 34 34 SER N N 15 111.5 0.1 . 1 . . . . . . . . 4158 1 267 . 1 1 35 35 HIS H H 1 7.57 0.01 . 1 . . . . . . . . 4158 1 268 . 1 1 35 35 HIS HA H 1 4.26 0.01 . 1 . . . . . . . . 4158 1 269 . 1 1 35 35 HIS HB2 H 1 3.43 0.01 . 2 . . . . . . . . 4158 1 270 . 1 1 35 35 HIS HB3 H 1 3.27 0.01 . 2 . . . . . . . . 4158 1 271 . 1 1 35 35 HIS HD2 H 1 7.02 0.01 . 1 . . . . . . . . 4158 1 272 . 1 1 35 35 HIS HE1 H 1 8.26 0.01 . 1 . . . . . . . . 4158 1 273 . 1 1 35 35 HIS N N 15 121.2 0.1 . 1 . . . . . . . . 4158 1 274 . 1 1 36 36 HIS H H 1 7.89 0.01 . 1 . . . . . . . . 4158 1 275 . 1 1 36 36 HIS HA H 1 4.71 0.01 . 1 . . . . . . . . 4158 1 276 . 1 1 36 36 HIS HB2 H 1 3.50 0.01 . 2 . . . . . . . . 4158 1 277 . 1 1 36 36 HIS HB3 H 1 3.35 0.01 . 2 . . . . . . . . 4158 1 278 . 1 1 36 36 HIS HD2 H 1 7.29 0.01 . 1 . . . . . . . . 4158 1 279 . 1 1 36 36 HIS HE1 H 1 8.50 0.01 . 1 . . . . . . . . 4158 1 280 . 1 1 36 36 HIS N N 15 117.4 0.1 . 1 . . . . . . . . 4158 1 281 . 1 1 37 37 ALA H H 1 6.87 0.01 . 1 . . . . . . . . 4158 1 282 . 1 1 37 37 ALA HA H 1 3.95 0.01 . 1 . . . . . . . . 4158 1 283 . 1 1 37 37 ALA HB1 H 1 0.37 0.01 . 1 . . . . . . . . 4158 1 284 . 1 1 37 37 ALA HB2 H 1 0.37 0.01 . 1 . . . . . . . . 4158 1 285 . 1 1 37 37 ALA HB3 H 1 0.37 0.01 . 1 . . . . . . . . 4158 1 286 . 1 1 37 37 ALA N N 15 123.8 0.1 . 1 . . . . . . . . 4158 1 287 . 1 1 38 38 PRO HA H 1 4.32 0.01 . 1 . . . . . . . . 4158 1 288 . 1 1 38 38 PRO HB2 H 1 1.71 0.01 . 2 . . . . . . . . 4158 1 289 . 1 1 38 38 PRO HB3 H 1 1.58 0.01 . 2 . . . . . . . . 4158 1 290 . 1 1 38 38 PRO HD2 H 1 2.54 0.01 . 2 . . . . . . . . 4158 1 291 . 1 1 38 38 PRO HD3 H 1 2.47 0.01 . 2 . . . . . . . . 4158 1 292 . 1 1 39 39 LEU H H 1 8.65 0.01 . 1 . . . . . . . . 4158 1 293 . 1 1 39 39 LEU HA H 1 4.60 0.01 . 1 . . . . . . . . 4158 1 294 . 1 1 39 39 LEU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4158 1 295 . 1 1 39 39 LEU HB3 H 1 1.42 0.01 . 2 . . . . . . . . 4158 1 296 . 1 1 39 39 LEU HG H 1 1.67 0.01 . 1 . . . . . . . . 4158 1 297 . 1 1 39 39 LEU HD11 H 1 0.98 0.01 . 1 . . . . . . . . 4158 1 298 . 1 1 39 39 LEU HD12 H 1 0.98 0.01 . 1 . . . . . . . . 4158 1 299 . 1 1 39 39 LEU HD13 H 1 0.98 0.01 . 1 . . . . . . . . 4158 1 300 . 1 1 39 39 LEU HD21 H 1 0.98 0.01 . 1 . . . . . . . . 4158 1 301 . 1 1 39 39 LEU HD22 H 1 0.98 0.01 . 1 . . . . . . . . 4158 1 302 . 1 1 39 39 LEU HD23 H 1 0.98 0.01 . 1 . . . . . . . . 4158 1 303 . 1 1 39 39 LEU N N 15 125.8 0.1 . 1 . . . . . . . . 4158 1 304 . 1 1 40 40 SER H H 1 7.53 0.01 . 1 . . . . . . . . 4158 1 305 . 1 1 40 40 SER HA H 1 4.58 0.01 . 1 . . . . . . . . 4158 1 306 . 1 1 40 40 SER HB2 H 1 3.84 0.01 . 2 . . . . . . . . 4158 1 307 . 1 1 40 40 SER HB3 H 1 3.74 0.01 . 2 . . . . . . . . 4158 1 308 . 1 1 40 40 SER N N 15 119.0 0.1 . 1 . . . . . . . . 4158 1 309 . 1 1 41 41 ASP H H 1 8.33 0.01 . 1 . . . . . . . . 4158 1 310 . 1 1 41 41 ASP HA H 1 5.18 0.01 . 1 . . . . . . . . 4158 1 311 . 1 1 41 41 ASP HB2 H 1 2.89 0.01 . 2 . . . . . . . . 4158 1 312 . 1 1 41 41 ASP HB3 H 1 2.81 0.01 . 2 . . . . . . . . 4158 1 313 . 1 1 41 41 ASP N N 15 118.8 0.1 . 1 . . . . . . . . 4158 1 314 . 1 1 42 42 GLY H H 1 9.22 0.01 . 1 . . . . . . . . 4158 1 315 . 1 1 42 42 GLY HA2 H 1 4.24 0.01 . 2 . . . . . . . . 4158 1 316 . 1 1 42 42 GLY HA3 H 1 4.15 0.01 . 1 . . . . . . . . 4158 1 317 . 1 1 42 42 GLY N N 15 113.1 0.1 . 1 . . . . . . . . 4158 1 318 . 1 1 43 43 LYS HA H 1 4.63 0.01 . 1 . . . . . . . . 4158 1 319 . 1 1 43 43 LYS HB2 H 1 2.11 0.01 . 2 . . . . . . . . 4158 1 320 . 1 1 43 43 LYS HB3 H 1 1.77 0.01 . 2 . . . . . . . . 4158 1 321 . 1 1 43 43 LYS HG2 H 1 1.43 0.01 . 2 . . . . . . . . 4158 1 322 . 1 1 43 43 LYS HD2 H 1 1.58 0.01 . 2 . . . . . . . . 4158 1 323 . 1 1 43 43 LYS N N 15 119.6 0.1 . 1 . . . . . . . . 4158 1 324 . 1 1 44 44 THR H H 1 7.50 0.01 . 1 . . . . . . . . 4158 1 325 . 1 1 44 44 THR HA H 1 4.71 0.01 . 1 . . . . . . . . 4158 1 326 . 1 1 44 44 THR HB H 1 5.17 0.01 . 1 . . . . . . . . 4158 1 327 . 1 1 44 44 THR HG21 H 1 1.58 0.01 . 1 . . . . . . . . 4158 1 328 . 1 1 44 44 THR HG22 H 1 1.58 0.01 . 1 . . . . . . . . 4158 1 329 . 1 1 44 44 THR HG23 H 1 1.58 0.01 . 1 . . . . . . . . 4158 1 330 . 1 1 44 44 THR N N 15 110.4 0.1 . 1 . . . . . . . . 4158 1 331 . 1 1 45 45 GLY H H 1 9.68 0.01 . 1 . . . . . . . . 4158 1 332 . 1 1 45 45 GLY HA2 H 1 3.98 0.01 . 2 . . . . . . . . 4158 1 333 . 1 1 45 45 GLY HA3 H 1 3.84 0.01 . 2 . . . . . . . . 4158 1 334 . 1 1 45 45 GLY N N 15 109.4 0.1 . 1 . . . . . . . . 4158 1 335 . 1 1 46 46 SER H H 1 8.36 0.01 . 1 . . . . . . . . 4158 1 336 . 1 1 46 46 SER HA H 1 4.60 0.01 . 1 . . . . . . . . 4158 1 337 . 1 1 46 46 SER HB2 H 1 4.31 0.01 . 2 . . . . . . . . 4158 1 338 . 1 1 46 46 SER HB3 H 1 4.33 0.01 . 2 . . . . . . . . 4158 1 339 . 1 1 46 46 SER N N 15 113.2 0.1 . 1 . . . . . . . . 4158 1 340 . 1 1 47 47 SER H H 1 7.94 0.01 . 1 . . . . . . . . 4158 1 341 . 1 1 47 47 SER HA H 1 4.12 0.01 . 1 . . . . . . . . 4158 1 342 . 1 1 47 47 SER HB2 H 1 3.90 0.01 . 2 . . . . . . . . 4158 1 343 . 1 1 47 47 SER HB3 H 1 3.95 0.01 . 2 . . . . . . . . 4158 1 344 . 1 1 47 47 SER N N 15 113.2 0.1 . 1 . . . . . . . . 4158 1 345 . 1 1 48 48 TYR H H 1 8.86 0.01 . 1 . . . . . . . . 4158 1 346 . 1 1 48 48 TYR HA H 1 4.85 0.01 . 1 . . . . . . . . 4158 1 347 . 1 1 48 48 TYR HB2 H 1 3.07 0.01 . 2 . . . . . . . . 4158 1 348 . 1 1 48 48 TYR HD1 H 1 7.05 0.01 . 1 . . . . . . . . 4158 1 349 . 1 1 48 48 TYR HD2 H 1 7.05 0.01 . 1 . . . . . . . . 4158 1 350 . 1 1 48 48 TYR HE1 H 1 6.77 0.01 . 1 . . . . . . . . 4158 1 351 . 1 1 48 48 TYR HE2 H 1 6.77 0.01 . 1 . . . . . . . . 4158 1 352 . 1 1 48 48 TYR N N 15 121.6 0.1 . 1 . . . . . . . . 4158 1 353 . 1 1 49 49 PRO HA H 1 5.79 0.01 . 1 . . . . . . . . 4158 1 354 . 1 1 49 49 PRO HB2 H 1 3.02 0.01 . 2 . . . . . . . . 4158 1 355 . 1 1 49 49 PRO HB3 H 1 2.60 0.01 . 2 . . . . . . . . 4158 1 356 . 1 1 49 49 PRO HG2 H 1 2.30 0.01 . 2 . . . . . . . . 4158 1 357 . 1 1 49 49 PRO HG3 H 1 2.85 0.01 . 2 . . . . . . . . 4158 1 358 . 1 1 49 49 PRO HD2 H 1 4.00 0.01 . 2 . . . . . . . . 4158 1 359 . 1 1 49 49 PRO HD3 H 1 3.67 0.01 . 2 . . . . . . . . 4158 1 360 . 1 1 50 50 HIS H H 1 7.94 0.01 . 1 . . . . . . . . 4158 1 361 . 1 1 50 50 HIS HA H 1 5.49 0.01 . 1 . . . . . . . . 4158 1 362 . 1 1 50 50 HIS HB2 H 1 3.98 0.01 . 2 . . . . . . . . 4158 1 363 . 1 1 50 50 HIS HB3 H 1 3.61 0.01 . 2 . . . . . . . . 4158 1 364 . 1 1 50 50 HIS HD2 H 1 7.15 0.01 . 1 . . . . . . . . 4158 1 365 . 1 1 50 50 HIS HE1 H 1 7.87 0.01 . 1 . . . . . . . . 4158 1 366 . 1 1 50 50 HIS N N 15 109.6 0.1 . 1 . . . . . . . . 4158 1 367 . 1 1 51 51 TRP H H 1 9.55 0.01 . 1 . . . . . . . . 4158 1 368 . 1 1 51 51 TRP HA H 1 5.37 0.01 . 1 . . . . . . . . 4158 1 369 . 1 1 51 51 TRP HB2 H 1 3.20 0.01 . 2 . . . . . . . . 4158 1 370 . 1 1 51 51 TRP HB3 H 1 2.75 0.01 . 2 . . . . . . . . 4158 1 371 . 1 1 51 51 TRP HD1 H 1 8.06 0.01 . 1 . . . . . . . . 4158 1 372 . 1 1 51 51 TRP HE1 H 1 9.61 0.01 . 1 . . . . . . . . 4158 1 373 . 1 1 51 51 TRP HE3 H 1 6.93 0.01 . 1 . . . . . . . . 4158 1 374 . 1 1 51 51 TRP HZ2 H 1 6.77 0.01 . 1 . . . . . . . . 4158 1 375 . 1 1 51 51 TRP HZ3 H 1 6.79 0.01 . 1 . . . . . . . . 4158 1 376 . 1 1 51 51 TRP HH2 H 1 6.91 0.01 . 1 . . . . . . . . 4158 1 377 . 1 1 51 51 TRP N N 15 124.4 0.1 . 1 . . . . . . . . 4158 1 378 . 1 1 51 51 TRP NE1 N 15 128.2 0.1 . 1 . . . . . . . . 4158 1 379 . 1 1 52 52 PHE H H 1 9.33 0.01 . 1 . . . . . . . . 4158 1 380 . 1 1 52 52 PHE HA H 1 5.05 0.01 . 1 . . . . . . . . 4158 1 381 . 1 1 52 52 PHE HB2 H 1 2.94 0.01 . 2 . . . . . . . . 4158 1 382 . 1 1 52 52 PHE HB3 H 1 2.68 0.01 . 2 . . . . . . . . 4158 1 383 . 1 1 52 52 PHE HD1 H 1 7.28 0.01 . 1 . . . . . . . . 4158 1 384 . 1 1 52 52 PHE HD2 H 1 7.28 0.01 . 1 . . . . . . . . 4158 1 385 . 1 1 52 52 PHE HE1 H 1 7.23 0.01 . 3 . . . . . . . . 4158 1 386 . 1 1 52 52 PHE HE2 H 1 7.28 0.01 . 3 . . . . . . . . 4158 1 387 . 1 1 52 52 PHE HZ H 1 7.21 0.01 . 1 . . . . . . . . 4158 1 388 . 1 1 52 52 PHE N N 15 134.5 0.1 . 1 . . . . . . . . 4158 1 389 . 1 1 53 53 THR H H 1 7.93 0.01 . 1 . . . . . . . . 4158 1 390 . 1 1 53 53 THR HA H 1 2.68 0.01 . 1 . . . . . . . . 4158 1 391 . 1 1 53 53 THR HB H 1 4.20 0.01 . 1 . . . . . . . . 4158 1 392 . 1 1 53 53 THR HG21 H 1 -0.51 0.01 . 1 . . . . . . . . 4158 1 393 . 1 1 53 53 THR HG22 H 1 -0.51 0.01 . 1 . . . . . . . . 4158 1 394 . 1 1 53 53 THR HG23 H 1 -0.51 0.01 . 1 . . . . . . . . 4158 1 395 . 1 1 54 54 ASN H H 1 6.04 0.01 . 1 . . . . . . . . 4158 1 396 . 1 1 54 54 ASN HA H 1 3.71 0.01 . 1 . . . . . . . . 4158 1 397 . 1 1 54 54 ASN HB2 H 1 3.61 0.01 . 2 . . . . . . . . 4158 1 398 . 1 1 54 54 ASN HB3 H 1 2.11 0.01 . 2 . . . . . . . . 4158 1 399 . 1 1 54 54 ASN HD21 H 1 8.19 0.01 . 1 . . . . . . . . 4158 1 400 . 1 1 54 54 ASN HD22 H 1 8.19 0.01 . 1 . . . . . . . . 4158 1 401 . 1 1 54 54 ASN N N 15 116.0 0.1 . 1 . . . . . . . . 4158 1 402 . 1 1 54 54 ASN ND2 N 15 110.0 0.1 . 1 . . . . . . . . 4158 1 403 . 1 1 55 55 GLY H H 1 7.48 0.01 . 1 . . . . . . . . 4158 1 404 . 1 1 55 55 GLY HA2 H 1 3.84 0.01 . 2 . . . . . . . . 4158 1 405 . 1 1 55 55 GLY HA3 H 1 3.18 0.01 . 2 . . . . . . . . 4158 1 406 . 1 1 55 55 GLY N N 15 100.4 0.1 . 1 . . . . . . . . 4158 1 407 . 1 1 56 56 TYR H H 1 7.29 0.01 . 1 . . . . . . . . 4158 1 408 . 1 1 56 56 TYR HA H 1 4.60 0.01 . 1 . . . . . . . . 4158 1 409 . 1 1 56 56 TYR HB2 H 1 3.45 0.01 . 2 . . . . . . . . 4158 1 410 . 1 1 56 56 TYR HB3 H 1 3.12 0.01 . 2 . . . . . . . . 4158 1 411 . 1 1 56 56 TYR HD1 H 1 7.24 0.01 . 1 . . . . . . . . 4158 1 412 . 1 1 56 56 TYR HD2 H 1 7.24 0.01 . 1 . . . . . . . . 4158 1 413 . 1 1 56 56 TYR HE1 H 1 6.90 0.01 . 1 . . . . . . . . 4158 1 414 . 1 1 56 56 TYR HE2 H 1 6.90 0.01 . 1 . . . . . . . . 4158 1 415 . 1 1 56 56 TYR N N 15 119.6 0.1 . 1 . . . . . . . . 4158 1 416 . 1 1 57 57 ASP H H 1 8.52 0.01 . 1 . . . . . . . . 4158 1 417 . 1 1 57 57 ASP HA H 1 5.09 0.01 . 1 . . . . . . . . 4158 1 418 . 1 1 57 57 ASP HB2 H 1 3.35 0.01 . 2 . . . . . . . . 4158 1 419 . 1 1 57 57 ASP HB3 H 1 2.96 0.01 . 2 . . . . . . . . 4158 1 420 . 1 1 57 57 ASP N N 15 117.8 0.1 . 1 . . . . . . . . 4158 1 421 . 1 1 58 58 GLY H H 1 8.94 0.01 . 1 . . . . . . . . 4158 1 422 . 1 1 58 58 GLY HA2 H 1 4.15 0.01 . 2 . . . . . . . . 4158 1 423 . 1 1 58 58 GLY HA3 H 1 3.99 0.01 . 2 . . . . . . . . 4158 1 424 . 1 1 58 58 GLY N N 15 105.0 0.1 . 1 . . . . . . . . 4158 1 425 . 1 1 59 59 ASP H H 1 8.23 0.01 . 1 . . . . . . . . 4158 1 426 . 1 1 59 59 ASP HA H 1 4.95 0.01 . 1 . . . . . . . . 4158 1 427 . 1 1 59 59 ASP HB2 H 1 2.96 0.01 . 2 . . . . . . . . 4158 1 428 . 1 1 59 59 ASP HB3 H 1 2.89 0.01 . 2 . . . . . . . . 4158 1 429 . 1 1 59 59 ASP N N 15 118.8 0.1 . 1 . . . . . . . . 4158 1 430 . 1 1 60 60 GLY H H 1 8.33 0.01 . 1 . . . . . . . . 4158 1 431 . 1 1 60 60 GLY HA2 H 1 4.31 0.01 . 2 . . . . . . . . 4158 1 432 . 1 1 60 60 GLY HA3 H 1 3.62 0.01 . 2 . . . . . . . . 4158 1 433 . 1 1 60 60 GLY N N 15 111.2 0.1 . 1 . . . . . . . . 4158 1 434 . 1 1 61 61 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 4158 1 435 . 1 1 61 61 LYS HA H 1 4.59 0.01 . 1 . . . . . . . . 4158 1 436 . 1 1 61 61 LYS HB2 H 1 1.84 0.01 . 2 . . . . . . . . 4158 1 437 . 1 1 61 61 LYS HB3 H 1 1.53 0.01 . 2 . . . . . . . . 4158 1 438 . 1 1 61 61 LYS HG2 H 1 1.48 0.01 . 2 . . . . . . . . 4158 1 439 . 1 1 61 61 LYS HG3 H 1 1.39 0.01 . 2 . . . . . . . . 4158 1 440 . 1 1 61 61 LYS N N 15 122.6 0.1 . 1 . . . . . . . . 4158 1 441 . 1 1 62 62 LEU H H 1 8.54 0.01 . 1 . . . . . . . . 4158 1 442 . 1 1 62 62 LEU HA H 1 4.83 0.01 . 1 . . . . . . . . 4158 1 443 . 1 1 62 62 LEU HB2 H 1 1.72 0.01 . 2 . . . . . . . . 4158 1 444 . 1 1 62 62 LEU HG H 1 1.30 0.01 . 1 . . . . . . . . 4158 1 445 . 1 1 62 62 LEU HD11 H 1 0.21 0.01 . 1 . . . . . . . . 4158 1 446 . 1 1 62 62 LEU HD12 H 1 0.21 0.01 . 1 . . . . . . . . 4158 1 447 . 1 1 62 62 LEU HD13 H 1 0.21 0.01 . 1 . . . . . . . . 4158 1 448 . 1 1 62 62 LEU HD21 H 1 0.46 0.01 . 1 . . . . . . . . 4158 1 449 . 1 1 62 62 LEU HD22 H 1 0.46 0.01 . 1 . . . . . . . . 4158 1 450 . 1 1 62 62 LEU HD23 H 1 0.46 0.01 . 1 . . . . . . . . 4158 1 451 . 1 1 62 62 LEU N N 15 126.6 0.1 . 1 . . . . . . . . 4158 1 452 . 1 1 63 63 PRO HA H 1 4.44 0.01 . 1 . . . . . . . . 4158 1 453 . 1 1 63 63 PRO HB2 H 1 2.38 0.01 . 2 . . . . . . . . 4158 1 454 . 1 1 63 63 PRO HG2 H 1 1.97 0.01 . 2 . . . . . . . . 4158 1 455 . 1 1 63 63 PRO HG3 H 1 1.94 0.01 . 2 . . . . . . . . 4158 1 456 . 1 1 63 63 PRO HD2 H 1 4.05 0.01 . 2 . . . . . . . . 4158 1 457 . 1 1 63 63 PRO HD3 H 1 3.57 0.01 . 2 . . . . . . . . 4158 1 458 . 1 1 64 64 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 4158 1 459 . 1 1 64 64 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 4158 1 460 . 1 1 64 64 LYS HB2 H 1 1.85 0.01 . 2 . . . . . . . . 4158 1 461 . 1 1 64 64 LYS HB3 H 1 1.79 0.01 . 2 . . . . . . . . 4158 1 462 . 1 1 64 64 LYS HG2 H 1 1.56 0.01 . 2 . . . . . . . . 4158 1 463 . 1 1 64 64 LYS HG3 H 1 1.48 0.01 . 2 . . . . . . . . 4158 1 464 . 1 1 64 64 LYS N N 15 122.6 0.1 . 1 . . . . . . . . 4158 1 465 . 1 1 65 65 GLY H H 1 8.73 0.01 . 1 . . . . . . . . 4158 1 466 . 1 1 65 65 GLY HA2 H 1 4.23 0.01 . 2 . . . . . . . . 4158 1 467 . 1 1 65 65 GLY HA3 H 1 3.72 0.01 . 2 . . . . . . . . 4158 1 468 . 1 1 65 65 GLY N N 15 113.2 0.1 . 1 . . . . . . . . 4158 1 469 . 1 1 66 66 ARG H H 1 7.47 0.01 . 1 . . . . . . . . 4158 1 470 . 1 1 66 66 ARG HA H 1 4.53 0.01 . 1 . . . . . . . . 4158 1 471 . 1 1 66 66 ARG HB2 H 1 1.68 0.01 . 2 . . . . . . . . 4158 1 472 . 1 1 66 66 ARG HG2 H 1 1.50 0.01 . 2 . . . . . . . . 4158 1 473 . 1 1 66 66 ARG HD2 H 1 3.15 0.01 . 2 . . . . . . . . 4158 1 474 . 1 1 66 66 ARG HD3 H 1 3.10 0.01 . 2 . . . . . . . . 4158 1 475 . 1 1 66 66 ARG HE H 1 7.16 0.01 . 1 . . . . . . . . 4158 1 476 . 1 1 66 66 ARG N N 15 121.0 0.1 . 1 . . . . . . . . 4158 1 477 . 1 1 66 66 ARG NE N 15 84.8 0.1 . 1 . . . . . . . . 4158 1 478 . 1 1 67 67 THR H H 1 8.61 0.01 . 1 . . . . . . . . 4158 1 479 . 1 1 67 67 THR HA H 1 4.72 0.01 . 1 . . . . . . . . 4158 1 480 . 1 1 67 67 THR HB H 1 4.02 0.01 . 1 . . . . . . . . 4158 1 481 . 1 1 67 67 THR HG21 H 1 1.19 0.01 . 1 . . . . . . . . 4158 1 482 . 1 1 67 67 THR HG22 H 1 1.19 0.01 . 1 . . . . . . . . 4158 1 483 . 1 1 67 67 THR HG23 H 1 1.19 0.01 . 1 . . . . . . . . 4158 1 484 . 1 1 67 67 THR N N 15 120.0 0.1 . 1 . . . . . . . . 4158 1 485 . 1 1 68 68 PRO HA H 1 4.22 0.01 . 1 . . . . . . . . 4158 1 486 . 1 1 68 68 PRO HB2 H 1 2.57 0.01 . 2 . . . . . . . . 4158 1 487 . 1 1 68 68 PRO HB3 H 1 2.00 0.01 . 2 . . . . . . . . 4158 1 488 . 1 1 68 68 PRO HG2 H 1 1.95 0.01 . 2 . . . . . . . . 4158 1 489 . 1 1 68 68 PRO HG3 H 1 1.89 0.01 . 2 . . . . . . . . 4158 1 490 . 1 1 68 68 PRO HD2 H 1 3.75 0.01 . 2 . . . . . . . . 4158 1 491 . 1 1 68 68 PRO HD3 H 1 3.66 0.01 . 2 . . . . . . . . 4158 1 492 . 1 1 69 69 ILE H H 1 9.20 0.01 . 1 . . . . . . . . 4158 1 493 . 1 1 69 69 ILE HA H 1 3.70 0.01 . 1 . . . . . . . . 4158 1 494 . 1 1 69 69 ILE HB H 1 1.53 0.01 . 1 . . . . . . . . 4158 1 495 . 1 1 69 69 ILE HG12 H 1 1.88 0.01 . 2 . . . . . . . . 4158 1 496 . 1 1 69 69 ILE HG13 H 1 1.12 0.01 . 2 . . . . . . . . 4158 1 497 . 1 1 69 69 ILE HG21 H 1 0.83 0.01 . 1 . . . . . . . . 4158 1 498 . 1 1 69 69 ILE HG22 H 1 0.83 0.01 . 1 . . . . . . . . 4158 1 499 . 1 1 69 69 ILE HG23 H 1 0.83 0.01 . 1 . . . . . . . . 4158 1 500 . 1 1 69 69 ILE HD11 H 1 0.05 0.01 . 1 . . . . . . . . 4158 1 501 . 1 1 69 69 ILE HD12 H 1 0.05 0.01 . 1 . . . . . . . . 4158 1 502 . 1 1 69 69 ILE HD13 H 1 0.05 0.01 . 1 . . . . . . . . 4158 1 503 . 1 1 69 69 ILE N N 15 125.0 0.1 . 1 . . . . . . . . 4158 1 504 . 1 1 70 70 LYS H H 1 8.30 0.01 . 1 . . . . . . . . 4158 1 505 . 1 1 70 70 LYS HA H 1 4.44 0.01 . 1 . . . . . . . . 4158 1 506 . 1 1 70 70 LYS HB2 H 1 1.81 0.01 . 2 . . . . . . . . 4158 1 507 . 1 1 70 70 LYS HB3 H 1 1.72 0.01 . 2 . . . . . . . . 4158 1 508 . 1 1 70 70 LYS HG2 H 1 1.48 0.01 . 2 . . . . . . . . 4158 1 509 . 1 1 70 70 LYS HG3 H 1 1.32 0.01 . 2 . . . . . . . . 4158 1 510 . 1 1 70 70 LYS N N 15 131.0 0.1 . 1 . . . . . . . . 4158 1 511 . 1 1 71 71 PHE H H 1 10.96 0.01 . 1 . . . . . . . . 4158 1 512 . 1 1 71 71 PHE HA H 1 4.53 0.01 . 1 . . . . . . . . 4158 1 513 . 1 1 71 71 PHE HB2 H 1 3.26 0.01 . 2 . . . . . . . . 4158 1 514 . 1 1 71 71 PHE HB3 H 1 2.78 0.01 . 2 . . . . . . . . 4158 1 515 . 1 1 71 71 PHE HD1 H 1 7.24 0.01 . 1 . . . . . . . . 4158 1 516 . 1 1 71 71 PHE HD2 H 1 7.24 0.01 . 1 . . . . . . . . 4158 1 517 . 1 1 71 71 PHE HE1 H 1 6.94 0.01 . 1 . . . . . . . . 4158 1 518 . 1 1 71 71 PHE HE2 H 1 6.94 0.01 . 1 . . . . . . . . 4158 1 519 . 1 1 71 71 PHE HZ H 1 6.88 0.01 . 1 . . . . . . . . 4158 1 520 . 1 1 71 71 PHE N N 15 127.2 0.1 . 1 . . . . . . . . 4158 1 521 . 1 1 72 72 GLY H H 1 9.98 0.01 . 1 . . . . . . . . 4158 1 522 . 1 1 72 72 GLY HA2 H 1 4.30 0.01 . 2 . . . . . . . . 4158 1 523 . 1 1 72 72 GLY HA3 H 1 3.78 0.01 . 2 . . . . . . . . 4158 1 524 . 1 1 72 72 GLY N N 15 112.5 0.1 . 1 . . . . . . . . 4158 1 525 . 1 1 73 73 LYS H H 1 7.08 0.01 . 1 . . . . . . . . 4158 1 526 . 1 1 73 73 LYS HA H 1 4.84 0.01 . 1 . . . . . . . . 4158 1 527 . 1 1 73 73 LYS HB2 H 1 1.99 0.01 . 2 . . . . . . . . 4158 1 528 . 1 1 73 73 LYS HB3 H 1 1.93 0.01 . 2 . . . . . . . . 4158 1 529 . 1 1 73 73 LYS HG2 H 1 1.57 0.01 . 2 . . . . . . . . 4158 1 530 . 1 1 73 73 LYS N N 15 117.9 0.1 . 1 . . . . . . . . 4158 1 531 . 1 1 74 74 SER H H 1 9.43 0.01 . 1 . . . . . . . . 4158 1 532 . 1 1 74 74 SER HA H 1 4.21 0.01 . 1 . . . . . . . . 4158 1 533 . 1 1 74 74 SER HB2 H 1 4.01 0.01 . 1 . . . . . . . . 4158 1 534 . 1 1 74 74 SER HB3 H 1 4.01 0.01 . 1 . . . . . . . . 4158 1 535 . 1 1 74 74 SER N N 15 126.3 0.1 . 1 . . . . . . . . 4158 1 536 . 1 1 75 75 ASP H H 1 8.96 0.01 . 1 . . . . . . . . 4158 1 537 . 1 1 75 75 ASP HA H 1 4.40 0.01 . 1 . . . . . . . . 4158 1 538 . 1 1 75 75 ASP HB2 H 1 2.65 0.01 . 2 . . . . . . . . 4158 1 539 . 1 1 75 75 ASP HB3 H 1 2.45 0.01 . 2 . . . . . . . . 4158 1 540 . 1 1 75 75 ASP N N 15 118.4 0.1 . 1 . . . . . . . . 4158 1 541 . 1 1 76 76 CYS H H 1 7.15 0.01 . 1 . . . . . . . . 4158 1 542 . 1 1 76 76 CYS HA H 1 4.42 0.01 . 1 . . . . . . . . 4158 1 543 . 1 1 76 76 CYS HB2 H 1 3.29 0.01 . 2 . . . . . . . . 4158 1 544 . 1 1 76 76 CYS HB3 H 1 2.63 0.01 . 2 . . . . . . . . 4158 1 545 . 1 1 76 76 CYS N N 15 113.1 0.1 . 1 . . . . . . . . 4158 1 546 . 1 1 77 77 ASP H H 1 7.89 0.01 . 1 . . . . . . . . 4158 1 547 . 1 1 77 77 ASP HA H 1 5.00 0.01 . 1 . . . . . . . . 4158 1 548 . 1 1 77 77 ASP HB2 H 1 3.00 0.01 . 2 . . . . . . . . 4158 1 549 . 1 1 77 77 ASP HB3 H 1 2.53 0.01 . 2 . . . . . . . . 4158 1 550 . 1 1 77 77 ASP N N 15 119.2 0.1 . 1 . . . . . . . . 4158 1 551 . 1 1 78 78 ARG H H 1 7.52 0.01 . 1 . . . . . . . . 4158 1 552 . 1 1 78 78 ARG HA H 1 4.88 0.01 . 1 . . . . . . . . 4158 1 553 . 1 1 78 78 ARG HB2 H 1 2.02 0.01 . 2 . . . . . . . . 4158 1 554 . 1 1 78 78 ARG HB3 H 1 1.86 0.01 . 2 . . . . . . . . 4158 1 555 . 1 1 78 78 ARG HG2 H 1 1.82 0.01 . 2 . . . . . . . . 4158 1 556 . 1 1 78 78 ARG HG3 H 1 1.73 0.01 . 2 . . . . . . . . 4158 1 557 . 1 1 78 78 ARG HD2 H 1 3.07 0.01 . 1 . . . . . . . . 4158 1 558 . 1 1 78 78 ARG HD3 H 1 3.07 0.01 . 1 . . . . . . . . 4158 1 559 . 1 1 78 78 ARG HE H 1 6.98 0.01 . 1 . . . . . . . . 4158 1 560 . 1 1 78 78 ARG N N 15 123.3 0.1 . 1 . . . . . . . . 4158 1 561 . 1 1 78 78 ARG NE N 15 84.4 0.1 . 1 . . . . . . . . 4158 1 562 . 1 1 79 79 PRO HA H 1 3.75 0.01 . 1 . . . . . . . . 4158 1 563 . 1 1 79 79 PRO HB2 H 1 2.68 0.01 . 2 . . . . . . . . 4158 1 564 . 1 1 79 79 PRO HB3 H 1 2.48 0.01 . 2 . . . . . . . . 4158 1 565 . 1 1 79 79 PRO HG2 H 1 2.37 0.01 . 2 . . . . . . . . 4158 1 566 . 1 1 79 79 PRO HG3 H 1 2.16 0.01 . 2 . . . . . . . . 4158 1 567 . 1 1 79 79 PRO HD2 H 1 4.15 0.01 . 2 . . . . . . . . 4158 1 568 . 1 1 79 79 PRO HD3 H 1 3.69 0.01 . 2 . . . . . . . . 4158 1 569 . 1 1 80 80 PRO HA H 1 4.95 0.01 . 1 . . . . . . . . 4158 1 570 . 1 1 80 80 PRO HB2 H 1 1.87 0.01 . 2 . . . . . . . . 4158 1 571 . 1 1 80 80 PRO HG2 H 1 2.28 0.01 . 2 . . . . . . . . 4158 1 572 . 1 1 80 80 PRO HD2 H 1 3.32 0.01 . 2 . . . . . . . . 4158 1 573 . 1 1 81 81 LYS H H 1 8.35 0.01 . 1 . . . . . . . . 4158 1 574 . 1 1 81 81 LYS HA H 1 4.41 0.01 . 1 . . . . . . . . 4158 1 575 . 1 1 81 81 LYS HB2 H 1 1.71 0.01 . 2 . . . . . . . . 4158 1 576 . 1 1 81 81 LYS HB3 H 1 1.43 0.01 . 2 . . . . . . . . 4158 1 577 . 1 1 81 81 LYS HG2 H 1 1.48 0.01 . 2 . . . . . . . . 4158 1 578 . 1 1 81 81 LYS HG3 H 1 1.31 0.01 . 2 . . . . . . . . 4158 1 579 . 1 1 81 81 LYS HD2 H 1 1.26 0.01 . 2 . . . . . . . . 4158 1 580 . 1 1 81 81 LYS N N 15 118.2 0.1 . 1 . . . . . . . . 4158 1 581 . 1 1 82 82 HIS H H 1 9.36 0.01 . 1 . . . . . . . . 4158 1 582 . 1 1 82 82 HIS HA H 1 4.08 0.01 . 1 . . . . . . . . 4158 1 583 . 1 1 82 82 HIS HB2 H 1 1.87 0.01 . 2 . . . . . . . . 4158 1 584 . 1 1 82 82 HIS HB3 H 1 1.33 0.01 . 2 . . . . . . . . 4158 1 585 . 1 1 82 82 HIS HD2 H 1 3.46 0.01 . 1 . . . . . . . . 4158 1 586 . 1 1 82 82 HIS HE1 H 1 7.99 0.01 . 1 . . . . . . . . 4158 1 587 . 1 1 82 82 HIS N N 15 127.6 0.1 . 1 . . . . . . . . 4158 1 588 . 1 1 83 83 SER H H 1 8.85 0.01 . 1 . . . . . . . . 4158 1 589 . 1 1 83 83 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 4158 1 590 . 1 1 83 83 SER HB2 H 1 3.99 0.01 . 2 . . . . . . . . 4158 1 591 . 1 1 83 83 SER HB3 H 1 3.84 0.01 . 2 . . . . . . . . 4158 1 592 . 1 1 83 83 SER N N 15 125.6 0.1 . 1 . . . . . . . . 4158 1 593 . 1 1 84 84 LYS H H 1 8.37 0.01 . 1 . . . . . . . . 4158 1 594 . 1 1 84 84 LYS HA H 1 3.93 0.01 . 1 . . . . . . . . 4158 1 595 . 1 1 84 84 LYS HB2 H 1 1.86 0.01 . 2 . . . . . . . . 4158 1 596 . 1 1 84 84 LYS HB3 H 1 1.72 0.01 . 2 . . . . . . . . 4158 1 597 . 1 1 84 84 LYS HD2 H 1 1.47 0.01 . 2 . . . . . . . . 4158 1 598 . 1 1 84 84 LYS HD3 H 1 1.40 0.01 . 2 . . . . . . . . 4158 1 599 . 1 1 84 84 LYS N N 15 122.8 0.1 . 1 . . . . . . . . 4158 1 600 . 1 1 85 85 ASP H H 1 8.25 0.01 . 1 . . . . . . . . 4158 1 601 . 1 1 85 85 ASP HA H 1 3.85 0.01 . 1 . . . . . . . . 4158 1 602 . 1 1 85 85 ASP HB2 H 1 2.80 0.01 . 2 . . . . . . . . 4158 1 603 . 1 1 85 85 ASP HB3 H 1 2.77 0.01 . 2 . . . . . . . . 4158 1 604 . 1 1 85 85 ASP N N 15 116.8 0.1 . 1 . . . . . . . . 4158 1 605 . 1 1 86 86 GLY H H 1 7.76 0.01 . 1 . . . . . . . . 4158 1 606 . 1 1 86 86 GLY HA2 H 1 3.75 0.01 . 2 . . . . . . . . 4158 1 607 . 1 1 86 86 GLY HA3 H 1 2.77 0.01 . 2 . . . . . . . . 4158 1 608 . 1 1 86 86 GLY N N 15 107.6 0.1 . 1 . . . . . . . . 4158 1 609 . 1 1 87 87 ASN H H 1 7.37 0.01 . 1 . . . . . . . . 4158 1 610 . 1 1 87 87 ASN HA H 1 5.09 0.01 . 1 . . . . . . . . 4158 1 611 . 1 1 87 87 ASN HB2 H 1 2.93 0.01 . 2 . . . . . . . . 4158 1 612 . 1 1 87 87 ASN HB3 H 1 2.62 0.01 . 2 . . . . . . . . 4158 1 613 . 1 1 87 87 ASN HD21 H 1 7.45 0.01 . 1 . . . . . . . . 4158 1 614 . 1 1 87 87 ASN HD22 H 1 6.91 0.01 . 1 . . . . . . . . 4158 1 615 . 1 1 87 87 ASN N N 15 116.7 0.1 . 1 . . . . . . . . 4158 1 616 . 1 1 87 87 ASN ND2 N 15 111.4 0.1 . 1 . . . . . . . . 4158 1 617 . 1 1 88 88 GLY H H 1 8.01 0.01 . 1 . . . . . . . . 4158 1 618 . 1 1 88 88 GLY HA2 H 1 4.07 0.01 . 2 . . . . . . . . 4158 1 619 . 1 1 88 88 GLY HA3 H 1 3.70 0.01 . 2 . . . . . . . . 4158 1 620 . 1 1 88 88 GLY N N 15 110.3 0.1 . 1 . . . . . . . . 4158 1 621 . 1 1 89 89 LYS H H 1 8.94 0.01 . 1 . . . . . . . . 4158 1 622 . 1 1 89 89 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 4158 1 623 . 1 1 89 89 LYS HB2 H 1 2.00 0.01 . 2 . . . . . . . . 4158 1 624 . 1 1 89 89 LYS HB3 H 1 1.97 0.01 . 2 . . . . . . . . 4158 1 625 . 1 1 89 89 LYS HG2 H 1 1.65 0.01 . 2 . . . . . . . . 4158 1 626 . 1 1 89 89 LYS HG3 H 1 1.59 0.01 . 2 . . . . . . . . 4158 1 627 . 1 1 89 89 LYS N N 15 126.4 0.1 . 1 . . . . . . . . 4158 1 628 . 1 1 90 90 THR H H 1 8.20 0.01 . 1 . . . . . . . . 4158 1 629 . 1 1 90 90 THR HA H 1 4.70 0.01 . 1 . . . . . . . . 4158 1 630 . 1 1 90 90 THR HB H 1 4.79 0.01 . 1 . . . . . . . . 4158 1 631 . 1 1 90 90 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 4158 1 632 . 1 1 90 90 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 4158 1 633 . 1 1 90 90 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 4158 1 634 . 1 1 90 90 THR N N 15 106.7 0.1 . 1 . . . . . . . . 4158 1 635 . 1 1 91 91 ASP H H 1 7.24 0.01 . 1 . . . . . . . . 4158 1 636 . 1 1 91 91 ASP HA H 1 4.39 0.01 . 1 . . . . . . . . 4158 1 637 . 1 1 91 91 ASP HB2 H 1 2.89 0.01 . 2 . . . . . . . . 4158 1 638 . 1 1 91 91 ASP HB3 H 1 2.76 0.01 . 2 . . . . . . . . 4158 1 639 . 1 1 91 91 ASP N N 15 123.8 0.1 . 1 . . . . . . . . 4158 1 640 . 1 1 92 92 HIS H H 1 8.78 0.01 . 1 . . . . . . . . 4158 1 641 . 1 1 92 92 HIS HA H 1 5.21 0.01 . 1 . . . . . . . . 4158 1 642 . 1 1 92 92 HIS HB2 H 1 3.48 0.01 . 2 . . . . . . . . 4158 1 643 . 1 1 92 92 HIS HB3 H 1 3.30 0.01 . 2 . . . . . . . . 4158 1 644 . 1 1 92 92 HIS HD2 H 1 7.62 0.01 . 1 . . . . . . . . 4158 1 645 . 1 1 92 92 HIS HE1 H 1 8.88 0.01 . 1 . . . . . . . . 4158 1 646 . 1 1 92 92 HIS N N 15 115.8 0.1 . 1 . . . . . . . . 4158 1 647 . 1 1 93 93 TYR H H 1 8.11 0.01 . 1 . . . . . . . . 4158 1 648 . 1 1 93 93 TYR HA H 1 4.95 0.01 . 1 . . . . . . . . 4158 1 649 . 1 1 93 93 TYR HB2 H 1 3.36 0.01 . 2 . . . . . . . . 4158 1 650 . 1 1 93 93 TYR HB3 H 1 3.18 0.01 . 2 . . . . . . . . 4158 1 651 . 1 1 93 93 TYR HD1 H 1 7.15 0.01 . 1 . . . . . . . . 4158 1 652 . 1 1 93 93 TYR HD2 H 1 7.15 0.01 . 1 . . . . . . . . 4158 1 653 . 1 1 93 93 TYR HE1 H 1 6.27 0.01 . 1 . . . . . . . . 4158 1 654 . 1 1 93 93 TYR HE2 H 1 6.27 0.01 . 1 . . . . . . . . 4158 1 655 . 1 1 93 93 TYR N N 15 119.8 0.1 . 1 . . . . . . . . 4158 1 656 . 1 1 94 94 LEU H H 1 9.47 0.01 . 1 . . . . . . . . 4158 1 657 . 1 1 94 94 LEU HA H 1 4.96 0.01 . 1 . . . . . . . . 4158 1 658 . 1 1 94 94 LEU HB2 H 1 2.96 0.01 . 2 . . . . . . . . 4158 1 659 . 1 1 94 94 LEU HB3 H 1 1.40 0.01 . 2 . . . . . . . . 4158 1 660 . 1 1 94 94 LEU HG H 1 2.22 0.01 . 1 . . . . . . . . 4158 1 661 . 1 1 94 94 LEU HD11 H 1 1.27 0.01 . 1 . . . . . . . . 4158 1 662 . 1 1 94 94 LEU HD12 H 1 1.27 0.01 . 1 . . . . . . . . 4158 1 663 . 1 1 94 94 LEU HD13 H 1 1.27 0.01 . 1 . . . . . . . . 4158 1 664 . 1 1 94 94 LEU HD21 H 1 0.96 0.01 . 1 . . . . . . . . 4158 1 665 . 1 1 94 94 LEU HD22 H 1 0.96 0.01 . 1 . . . . . . . . 4158 1 666 . 1 1 94 94 LEU HD23 H 1 0.96 0.01 . 1 . . . . . . . . 4158 1 667 . 1 1 94 94 LEU N N 15 119.0 0.1 . 1 . . . . . . . . 4158 1 668 . 1 1 95 95 LEU H H 1 9.50 0.01 . 1 . . . . . . . . 4158 1 669 . 1 1 95 95 LEU HA H 1 4.93 0.01 . 1 . . . . . . . . 4158 1 670 . 1 1 95 95 LEU HB2 H 1 0.62 0.01 . 2 . . . . . . . . 4158 1 671 . 1 1 95 95 LEU HG H 1 1.53 0.01 . 1 . . . . . . . . 4158 1 672 . 1 1 95 95 LEU HD11 H 1 0.94 0.01 . 1 . . . . . . . . 4158 1 673 . 1 1 95 95 LEU HD12 H 1 0.94 0.01 . 1 . . . . . . . . 4158 1 674 . 1 1 95 95 LEU HD13 H 1 0.94 0.01 . 1 . . . . . . . . 4158 1 675 . 1 1 95 95 LEU HD21 H 1 1.09 0.01 . 1 . . . . . . . . 4158 1 676 . 1 1 95 95 LEU HD22 H 1 1.09 0.01 . 1 . . . . . . . . 4158 1 677 . 1 1 95 95 LEU HD23 H 1 1.09 0.01 . 1 . . . . . . . . 4158 1 678 . 1 1 95 95 LEU N N 15 125.7 0.1 . 1 . . . . . . . . 4158 1 679 . 1 1 96 96 GLU H H 1 8.29 0.01 . 1 . . . . . . . . 4158 1 680 . 1 1 96 96 GLU HA H 1 5.77 0.01 . 1 . . . . . . . . 4158 1 681 . 1 1 96 96 GLU HB2 H 1 1.86 0.01 . 2 . . . . . . . . 4158 1 682 . 1 1 96 96 GLU HB3 H 1 1.66 0.01 . 2 . . . . . . . . 4158 1 683 . 1 1 96 96 GLU HG2 H 1 2.44 0.01 . 2 . . . . . . . . 4158 1 684 . 1 1 96 96 GLU HG3 H 1 1.96 0.01 . 2 . . . . . . . . 4158 1 685 . 1 1 96 96 GLU N N 15 111.4 0.1 . 1 . . . . . . . . 4158 1 686 . 1 1 97 97 PHE H H 1 8.43 0.01 . 1 . . . . . . . . 4158 1 687 . 1 1 97 97 PHE HA H 1 5.13 0.01 . 1 . . . . . . . . 4158 1 688 . 1 1 97 97 PHE HB2 H 1 3.67 0.01 . 2 . . . . . . . . 4158 1 689 . 1 1 97 97 PHE HB3 H 1 2.94 0.01 . 2 . . . . . . . . 4158 1 690 . 1 1 97 97 PHE HD1 H 1 7.23 0.01 . 1 . . . . . . . . 4158 1 691 . 1 1 97 97 PHE HD2 H 1 7.23 0.01 . 1 . . . . . . . . 4158 1 692 . 1 1 97 97 PHE HE1 H 1 7.80 0.01 . 1 . . . . . . . . 4158 1 693 . 1 1 97 97 PHE HE2 H 1 7.80 0.01 . 1 . . . . . . . . 4158 1 694 . 1 1 97 97 PHE HZ H 1 8.15 0.01 . 1 . . . . . . . . 4158 1 695 . 1 1 97 97 PHE N N 15 122.6 0.1 . 1 . . . . . . . . 4158 1 696 . 1 1 98 98 PRO HA H 1 4.11 0.01 . 1 . . . . . . . . 4158 1 697 . 1 1 98 98 PRO HB2 H 1 2.28 0.01 . 2 . . . . . . . . 4158 1 698 . 1 1 98 98 PRO HB3 H 1 0.62 0.01 . 2 . . . . . . . . 4158 1 699 . 1 1 98 98 PRO HG2 H 1 -0.39 0.01 . 2 . . . . . . . . 4158 1 700 . 1 1 98 98 PRO HG3 H 1 -0.90 0.01 . 2 . . . . . . . . 4158 1 701 . 1 1 98 98 PRO HD2 H 1 2.56 0.01 . 2 . . . . . . . . 4158 1 702 . 1 1 98 98 PRO HD3 H 1 1.03 0.01 . 2 . . . . . . . . 4158 1 703 . 1 1 99 99 THR H H 1 6.71 0.01 . 1 . . . . . . . . 4158 1 704 . 1 1 99 99 THR HA H 1 4.50 0.01 . 1 . . . . . . . . 4158 1 705 . 1 1 99 99 THR HB H 1 3.76 0.01 . 1 . . . . . . . . 4158 1 706 . 1 1 99 99 THR HG1 H 1 5.27 0.01 . 1 . . . . . . . . 4158 1 707 . 1 1 99 99 THR HG21 H 1 0.56 0.01 . 1 . . . . . . . . 4158 1 708 . 1 1 99 99 THR HG22 H 1 0.56 0.01 . 1 . . . . . . . . 4158 1 709 . 1 1 99 99 THR HG23 H 1 0.56 0.01 . 1 . . . . . . . . 4158 1 710 . 1 1 99 99 THR N N 15 117.0 0.1 . 1 . . . . . . . . 4158 1 711 . 1 1 100 100 PHE H H 1 9.91 0.01 . 1 . . . . . . . . 4158 1 712 . 1 1 100 100 PHE HA H 1 5.80 0.01 . 1 . . . . . . . . 4158 1 713 . 1 1 100 100 PHE HB2 H 1 3.47 0.01 . 2 . . . . . . . . 4158 1 714 . 1 1 100 100 PHE HB3 H 1 2.67 0.01 . 2 . . . . . . . . 4158 1 715 . 1 1 100 100 PHE HD1 H 1 7.12 0.01 . 1 . . . . . . . . 4158 1 716 . 1 1 100 100 PHE HD2 H 1 7.12 0.01 . 1 . . . . . . . . 4158 1 717 . 1 1 100 100 PHE HE1 H 1 7.10 0.01 . 3 . . . . . . . . 4158 1 718 . 1 1 100 100 PHE HE2 H 1 7.12 0.01 . 3 . . . . . . . . 4158 1 719 . 1 1 100 100 PHE HZ H 1 7.51 0.01 . 3 . . . . . . . . 4158 1 720 . 1 1 100 100 PHE N N 15 125.5 0.1 . 1 . . . . . . . . 4158 1 721 . 1 1 101 101 PRO HA H 1 4.21 0.01 . 1 . . . . . . . . 4158 1 722 . 1 1 101 101 PRO HB3 H 1 2.13 0.01 . 2 . . . . . . . . 4158 1 723 . 1 1 101 101 PRO HG2 H 1 2.13 0.01 . 2 . . . . . . . . 4158 1 724 . 1 1 101 101 PRO HG3 H 1 1.93 0.01 . 2 . . . . . . . . 4158 1 725 . 1 1 101 101 PRO HD2 H 1 4.57 0.01 . 2 . . . . . . . . 4158 1 726 . 1 1 101 101 PRO HD3 H 1 4.10 0.01 . 2 . . . . . . . . 4158 1 727 . 1 1 102 102 ASP H H 1 8.29 0.01 . 1 . . . . . . . . 4158 1 728 . 1 1 102 102 ASP HA H 1 4.53 0.01 . 1 . . . . . . . . 4158 1 729 . 1 1 102 102 ASP HB2 H 1 3.22 0.01 . 2 . . . . . . . . 4158 1 730 . 1 1 102 102 ASP HB3 H 1 2.85 0.01 . 2 . . . . . . . . 4158 1 731 . 1 1 102 102 ASP N N 15 114.0 0.1 . 1 . . . . . . . . 4158 1 732 . 1 1 103 103 GLY H H 1 8.60 0.01 . 1 . . . . . . . . 4158 1 733 . 1 1 103 103 GLY HA2 H 1 4.34 0.01 . 2 . . . . . . . . 4158 1 734 . 1 1 103 103 GLY HA3 H 1 4.16 0.01 . 2 . . . . . . . . 4158 1 735 . 1 1 103 103 GLY N N 15 110.2 0.1 . 1 . . . . . . . . 4158 1 736 . 1 1 104 104 HIS H H 1 8.68 0.01 . 1 . . . . . . . . 4158 1 737 . 1 1 104 104 HIS HA H 1 4.60 0.01 . 1 . . . . . . . . 4158 1 738 . 1 1 104 104 HIS HB2 H 1 3.46 0.01 . 2 . . . . . . . . 4158 1 739 . 1 1 104 104 HIS HB3 H 1 3.10 0.01 . 2 . . . . . . . . 4158 1 740 . 1 1 104 104 HIS HD2 H 1 6.98 0.01 . 1 . . . . . . . . 4158 1 741 . 1 1 104 104 HIS HE1 H 1 6.65 0.01 . 1 . . . . . . . . 4158 1 742 . 1 1 104 104 HIS N N 15 121.8 0.1 . 1 . . . . . . . . 4158 1 743 . 1 1 105 105 ASP H H 1 9.16 0.01 . 1 . . . . . . . . 4158 1 744 . 1 1 105 105 ASP HA H 1 4.84 0.01 . 1 . . . . . . . . 4158 1 745 . 1 1 105 105 ASP HB2 H 1 3.09 0.01 . 2 . . . . . . . . 4158 1 746 . 1 1 105 105 ASP HB3 H 1 2.83 0.01 . 2 . . . . . . . . 4158 1 747 . 1 1 105 105 ASP N N 15 124.4 0.1 . 1 . . . . . . . . 4158 1 748 . 1 1 106 106 TYR H H 1 9.46 0.01 . 1 . . . . . . . . 4158 1 749 . 1 1 106 106 TYR HA H 1 4.19 0.01 . 1 . . . . . . . . 4158 1 750 . 1 1 106 106 TYR HB2 H 1 2.86 0.01 . 1 . . . . . . . . 4158 1 751 . 1 1 106 106 TYR HB3 H 1 2.86 0.01 . 1 . . . . . . . . 4158 1 752 . 1 1 106 106 TYR N N 15 129.5 0.1 . 1 . . . . . . . . 4158 1 753 . 1 1 107 107 LYS H H 1 8.20 0.01 . 1 . . . . . . . . 4158 1 754 . 1 1 107 107 LYS HA H 1 4.32 0.01 . 1 . . . . . . . . 4158 1 755 . 1 1 107 107 LYS HB2 H 1 1.72 0.01 . 2 . . . . . . . . 4158 1 756 . 1 1 107 107 LYS HG2 H 1 1.53 0.01 . 2 . . . . . . . . 4158 1 757 . 1 1 107 107 LYS HG3 H 1 1.42 0.01 . 2 . . . . . . . . 4158 1 758 . 1 1 107 107 LYS N N 15 130.1 0.1 . 1 . . . . . . . . 4158 1 759 . 1 1 108 108 PHE H H 1 8.03 0.01 . 1 . . . . . . . . 4158 1 760 . 1 1 108 108 PHE HA H 1 4.82 0.01 . 1 . . . . . . . . 4158 1 761 . 1 1 108 108 PHE HB2 H 1 4.32 0.01 . 2 . . . . . . . . 4158 1 762 . 1 1 108 108 PHE HB3 H 1 3.44 0.01 . 2 . . . . . . . . 4158 1 763 . 1 1 108 108 PHE HD1 H 1 7.71 0.01 . 1 . . . . . . . . 4158 1 764 . 1 1 108 108 PHE HD2 H 1 7.71 0.01 . 1 . . . . . . . . 4158 1 765 . 1 1 108 108 PHE HE1 H 1 7.73 0.01 . 1 . . . . . . . . 4158 1 766 . 1 1 108 108 PHE HE2 H 1 7.73 0.01 . 1 . . . . . . . . 4158 1 767 . 1 1 108 108 PHE HZ H 1 7.66 0.01 . 1 . . . . . . . . 4158 1 768 . 1 1 108 108 PHE N N 15 126.5 0.1 . 1 . . . . . . . . 4158 1 769 . 1 1 109 109 ASP H H 1 8.91 0.01 . 1 . . . . . . . . 4158 1 770 . 1 1 109 109 ASP HA H 1 5.38 0.01 . 1 . . . . . . . . 4158 1 771 . 1 1 109 109 ASP HB2 H 1 2.79 0.01 . 2 . . . . . . . . 4158 1 772 . 1 1 109 109 ASP HB3 H 1 2.55 0.01 . 2 . . . . . . . . 4158 1 773 . 1 1 109 109 ASP N N 15 125.8 0.1 . 1 . . . . . . . . 4158 1 774 . 1 1 110 110 SER H H 1 7.45 0.01 . 1 . . . . . . . . 4158 1 775 . 1 1 110 110 SER HA H 1 4.24 0.01 . 1 . . . . . . . . 4158 1 776 . 1 1 110 110 SER HB2 H 1 4.03 0.01 . 1 . . . . . . . . 4158 1 777 . 1 1 110 110 SER HB3 H 1 4.03 0.01 . 1 . . . . . . . . 4158 1 778 . 1 1 110 110 SER N N 15 116.8 0.1 . 1 . . . . . . . . 4158 1 779 . 1 1 111 111 LYS H H 1 7.97 0.01 . 1 . . . . . . . . 4158 1 780 . 1 1 111 111 LYS HA H 1 4.32 0.01 . 1 . . . . . . . . 4158 1 781 . 1 1 111 111 LYS HB2 H 1 1.85 0.01 . 2 . . . . . . . . 4158 1 782 . 1 1 111 111 LYS HB3 H 1 1.72 0.01 . 2 . . . . . . . . 4158 1 783 . 1 1 111 111 LYS HG2 H 1 1.42 0.01 . 2 . . . . . . . . 4158 1 784 . 1 1 111 111 LYS HD2 H 1 1.65 0.01 . 2 . . . . . . . . 4158 1 785 . 1 1 111 111 LYS N N 15 119.2 0.1 . 1 . . . . . . . . 4158 1 786 . 1 1 112 112 LYS H H 1 8.19 0.01 . 1 . . . . . . . . 4158 1 787 . 1 1 112 112 LYS HA H 1 4.23 0.01 . 1 . . . . . . . . 4158 1 788 . 1 1 112 112 LYS N N 15 121.5 0.1 . 1 . . . . . . . . 4158 1 789 . 1 1 113 113 PRO HA H 1 4.49 0.01 . 1 . . . . . . . . 4158 1 790 . 1 1 113 113 PRO HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4158 1 791 . 1 1 113 113 PRO HB3 H 1 2.27 0.01 . 2 . . . . . . . . 4158 1 792 . 1 1 114 114 LYS H H 1 8.39 0.01 . 1 . . . . . . . . 4158 1 793 . 1 1 114 114 LYS HA H 1 4.11 0.01 . 1 . . . . . . . . 4158 1 794 . 1 1 114 114 LYS HB2 H 1 1.87 0.01 . 2 . . . . . . . . 4158 1 795 . 1 1 114 114 LYS HB3 H 1 1.63 0.01 . 2 . . . . . . . . 4158 1 796 . 1 1 114 114 LYS N N 15 122.2 0.1 . 1 . . . . . . . . 4158 1 797 . 1 1 115 115 GLU H H 1 9.11 0.01 . 1 . . . . . . . . 4158 1 798 . 1 1 115 115 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 4158 1 799 . 1 1 115 115 GLU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 4158 1 800 . 1 1 115 115 GLU HB3 H 1 1.43 0.01 . 2 . . . . . . . . 4158 1 801 . 1 1 115 115 GLU HG2 H 1 2.51 0.01 . 2 . . . . . . . . 4158 1 802 . 1 1 115 115 GLU HG3 H 1 2.37 0.01 . 2 . . . . . . . . 4158 1 803 . 1 1 115 115 GLU N N 15 128.6 0.1 . 1 . . . . . . . . 4158 1 804 . 1 1 116 116 ASN H H 1 9.15 0.01 . 1 . . . . . . . . 4158 1 805 . 1 1 116 116 ASN HA H 1 4.94 0.01 . 1 . . . . . . . . 4158 1 806 . 1 1 116 116 ASN HB2 H 1 3.15 0.01 . 2 . . . . . . . . 4158 1 807 . 1 1 116 116 ASN HB3 H 1 3.10 0.01 . 2 . . . . . . . . 4158 1 808 . 1 1 116 116 ASN HD21 H 1 7.83 0.01 . 2 . . . . . . . . 4158 1 809 . 1 1 116 116 ASN HD22 H 1 7.09 0.01 . 2 . . . . . . . . 4158 1 810 . 1 1 116 116 ASN N N 15 132.0 0.1 . 1 . . . . . . . . 4158 1 811 . 1 1 116 116 ASN ND2 N 15 114.0 0.1 . 1 . . . . . . . . 4158 1 812 . 1 1 117 117 PRO HA H 1 4.37 0.01 . 1 . . . . . . . . 4158 1 813 . 1 1 117 117 PRO HB2 H 1 1.63 0.01 . 2 . . . . . . . . 4158 1 814 . 1 1 117 117 PRO HG2 H 1 2.22 0.01 . 2 . . . . . . . . 4158 1 815 . 1 1 117 117 PRO HD2 H 1 4.31 0.01 . 2 . . . . . . . . 4158 1 816 . 1 1 117 117 PRO HD3 H 1 4.14 0.01 . 2 . . . . . . . . 4158 1 817 . 1 1 118 118 GLY H H 1 8.36 0.01 . 1 . . . . . . . . 4158 1 818 . 1 1 118 118 GLY HA2 H 1 4.19 0.01 . 2 . . . . . . . . 4158 1 819 . 1 1 118 118 GLY HA3 H 1 3.99 0.01 . 2 . . . . . . . . 4158 1 820 . 1 1 118 118 GLY N N 15 104.8 0.1 . 1 . . . . . . . . 4158 1 821 . 1 1 119 119 PRO HA H 1 4.54 0.01 . 1 . . . . . . . . 4158 1 822 . 1 1 119 119 PRO HB2 H 1 2.64 0.01 . 2 . . . . . . . . 4158 1 823 . 1 1 119 119 PRO HB3 H 1 1.92 0.01 . 2 . . . . . . . . 4158 1 824 . 1 1 119 119 PRO HG2 H 1 2.03 0.01 . 2 . . . . . . . . 4158 1 825 . 1 1 119 119 PRO HG3 H 1 1.36 0.01 . 2 . . . . . . . . 4158 1 826 . 1 1 120 120 ALA H H 1 9.12 0.01 . 1 . . . . . . . . 4158 1 827 . 1 1 120 120 ALA HA H 1 5.26 0.01 . 1 . . . . . . . . 4158 1 828 . 1 1 120 120 ALA HB1 H 1 1.08 0.01 . 1 . . . . . . . . 4158 1 829 . 1 1 120 120 ALA HB2 H 1 1.08 0.01 . 1 . . . . . . . . 4158 1 830 . 1 1 120 120 ALA HB3 H 1 1.08 0.01 . 1 . . . . . . . . 4158 1 831 . 1 1 120 120 ALA N N 15 125.0 0.1 . 1 . . . . . . . . 4158 1 832 . 1 1 121 121 ARG H H 1 9.13 0.01 . 1 . . . . . . . . 4158 1 833 . 1 1 121 121 ARG HA H 1 4.61 0.01 . 1 . . . . . . . . 4158 1 834 . 1 1 121 121 ARG HB2 H 1 1.40 0.01 . 2 . . . . . . . . 4158 1 835 . 1 1 121 121 ARG HB3 H 1 1.23 0.01 . 2 . . . . . . . . 4158 1 836 . 1 1 121 121 ARG N N 15 119.0 0.1 . 1 . . . . . . . . 4158 1 837 . 1 1 121 121 ARG NE N 15 84.8 0.1 . 1 . . . . . . . . 4158 1 838 . 1 1 122 122 VAL H H 1 9.16 0.01 . 1 . . . . . . . . 4158 1 839 . 1 1 122 122 VAL HA H 1 4.55 0.01 . 1 . . . . . . . . 4158 1 840 . 1 1 122 122 VAL HB H 1 1.85 0.01 . 1 . . . . . . . . 4158 1 841 . 1 1 122 122 VAL HG11 H 1 1.25 0.01 . 1 . . . . . . . . 4158 1 842 . 1 1 122 122 VAL HG12 H 1 1.25 0.01 . 1 . . . . . . . . 4158 1 843 . 1 1 122 122 VAL HG13 H 1 1.25 0.01 . 1 . . . . . . . . 4158 1 844 . 1 1 122 122 VAL HG21 H 1 1.03 0.01 . 1 . . . . . . . . 4158 1 845 . 1 1 122 122 VAL HG22 H 1 1.03 0.01 . 1 . . . . . . . . 4158 1 846 . 1 1 122 122 VAL HG23 H 1 1.03 0.01 . 1 . . . . . . . . 4158 1 847 . 1 1 122 122 VAL N N 15 121.9 0.1 . 1 . . . . . . . . 4158 1 848 . 1 1 123 123 ILE H H 1 8.21 0.01 . 1 . . . . . . . . 4158 1 849 . 1 1 123 123 ILE HA H 1 5.31 0.01 . 1 . . . . . . . . 4158 1 850 . 1 1 123 123 ILE HB H 1 1.31 0.01 . 1 . . . . . . . . 4158 1 851 . 1 1 123 123 ILE HG12 H 1 1.28 0.01 . 2 . . . . . . . . 4158 1 852 . 1 1 123 123 ILE HG13 H 1 1.65 0.01 . 2 . . . . . . . . 4158 1 853 . 1 1 123 123 ILE HG21 H 1 0.55 0.01 . 1 . . . . . . . . 4158 1 854 . 1 1 123 123 ILE HG22 H 1 0.55 0.01 . 1 . . . . . . . . 4158 1 855 . 1 1 123 123 ILE HG23 H 1 0.55 0.01 . 1 . . . . . . . . 4158 1 856 . 1 1 123 123 ILE HD11 H 1 0.05 0.01 . 1 . . . . . . . . 4158 1 857 . 1 1 123 123 ILE HD12 H 1 0.05 0.01 . 1 . . . . . . . . 4158 1 858 . 1 1 123 123 ILE HD13 H 1 0.05 0.01 . 1 . . . . . . . . 4158 1 859 . 1 1 123 123 ILE N N 15 128.6 0.1 . 1 . . . . . . . . 4158 1 860 . 1 1 124 124 TYR H H 1 8.42 0.01 . 1 . . . . . . . . 4158 1 861 . 1 1 124 124 TYR HA H 1 5.56 0.01 . 1 . . . . . . . . 4158 1 862 . 1 1 124 124 TYR HB2 H 1 2.96 0.01 . 2 . . . . . . . . 4158 1 863 . 1 1 124 124 TYR HB3 H 1 2.42 0.01 . 2 . . . . . . . . 4158 1 864 . 1 1 124 124 TYR HD1 H 1 6.70 0.01 . 1 . . . . . . . . 4158 1 865 . 1 1 124 124 TYR HD2 H 1 6.70 0.01 . 1 . . . . . . . . 4158 1 866 . 1 1 124 124 TYR HE1 H 1 6.56 0.01 . 1 . . . . . . . . 4158 1 867 . 1 1 124 124 TYR HE2 H 1 6.56 0.01 . 1 . . . . . . . . 4158 1 868 . 1 1 124 124 TYR HH H 1 9.03 0.01 . 2 . . . . . . . . 4158 1 869 . 1 1 124 124 TYR N N 15 127.0 0.1 . 1 . . . . . . . . 4158 1 870 . 1 1 125 125 THR H H 1 8.73 0.01 . 1 . . . . . . . . 4158 1 871 . 1 1 125 125 THR HA H 1 4.66 0.01 . 1 . . . . . . . . 4158 1 872 . 1 1 125 125 THR HB H 1 4.38 0.01 . 1 . . . . . . . . 4158 1 873 . 1 1 125 125 THR HG1 H 1 5.72 0.01 . 1 . . . . . . . . 4158 1 874 . 1 1 125 125 THR HG21 H 1 1.08 0.01 . 1 . . . . . . . . 4158 1 875 . 1 1 125 125 THR HG22 H 1 1.08 0.01 . 1 . . . . . . . . 4158 1 876 . 1 1 125 125 THR HG23 H 1 1.08 0.01 . 1 . . . . . . . . 4158 1 877 . 1 1 125 125 THR N N 15 110.5 0.1 . 1 . . . . . . . . 4158 1 878 . 1 1 126 126 TYR HA H 1 4.66 0.01 . 1 . . . . . . . . 4158 1 879 . 1 1 126 126 TYR HB2 H 1 2.10 0.01 . 2 . . . . . . . . 4158 1 880 . 1 1 126 126 TYR HB3 H 1 1.64 0.01 . 2 . . . . . . . . 4158 1 881 . 1 1 126 126 TYR HD1 H 1 6.53 0.01 . 1 . . . . . . . . 4158 1 882 . 1 1 126 126 TYR HD2 H 1 6.53 0.01 . 1 . . . . . . . . 4158 1 883 . 1 1 126 126 TYR HE1 H 1 6.72 0.01 . 1 . . . . . . . . 4158 1 884 . 1 1 126 126 TYR HE2 H 1 6.72 0.01 . 1 . . . . . . . . 4158 1 885 . 1 1 126 126 TYR N N 15 121.9 0.1 . 1 . . . . . . . . 4158 1 886 . 1 1 127 127 PRO HA H 1 3.57 0.01 . 1 . . . . . . . . 4158 1 887 . 1 1 127 127 PRO HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4158 1 888 . 1 1 127 127 PRO HB3 H 1 1.58 0.01 . 2 . . . . . . . . 4158 1 889 . 1 1 127 127 PRO HG2 H 1 1.73 0.01 . 2 . . . . . . . . 4158 1 890 . 1 1 127 127 PRO HD2 H 1 3.70 0.01 . 2 . . . . . . . . 4158 1 891 . 1 1 127 127 PRO HD3 H 1 3.57 0.01 . 2 . . . . . . . . 4158 1 892 . 1 1 128 128 ASN H H 1 7.42 0.01 . 1 . . . . . . . . 4158 1 893 . 1 1 128 128 ASN HA H 1 4.57 0.01 . 1 . . . . . . . . 4158 1 894 . 1 1 128 128 ASN HB2 H 1 2.89 0.01 . 2 . . . . . . . . 4158 1 895 . 1 1 128 128 ASN HB3 H 1 2.78 0.01 . 2 . . . . . . . . 4158 1 896 . 1 1 128 128 ASN HD21 H 1 7.69 0.01 . 1 . . . . . . . . 4158 1 897 . 1 1 128 128 ASN HD22 H 1 7.17 0.01 . 1 . . . . . . . . 4158 1 898 . 1 1 128 128 ASN N N 15 117.8 0.1 . 1 . . . . . . . . 4158 1 899 . 1 1 128 128 ASN ND2 N 15 116.0 0.1 . 1 . . . . . . . . 4158 1 900 . 1 1 129 129 LYS H H 1 8.49 0.01 . 1 . . . . . . . . 4158 1 901 . 1 1 129 129 LYS HA H 1 4.49 0.01 . 1 . . . . . . . . 4158 1 902 . 1 1 129 129 LYS HB2 H 1 2.10 0.01 . 2 . . . . . . . . 4158 1 903 . 1 1 129 129 LYS HG2 H 1 1.58 0.01 . 2 . . . . . . . . 4158 1 904 . 1 1 129 129 LYS HG3 H 1 1.21 0.01 . 2 . . . . . . . . 4158 1 905 . 1 1 129 129 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 4158 1 906 . 1 1 130 130 VAL H H 1 8.23 0.01 . 1 . . . . . . . . 4158 1 907 . 1 1 130 130 VAL HA H 1 3.80 0.01 . 1 . . . . . . . . 4158 1 908 . 1 1 130 130 VAL HB H 1 2.09 0.01 . 1 . . . . . . . . 4158 1 909 . 1 1 130 130 VAL HG11 H 1 1.08 0.01 . 2 . . . . . . . . 4158 1 910 . 1 1 130 130 VAL HG12 H 1 1.08 0.01 . 2 . . . . . . . . 4158 1 911 . 1 1 130 130 VAL HG13 H 1 1.08 0.01 . 2 . . . . . . . . 4158 1 912 . 1 1 130 130 VAL HG21 H 1 0.91 0.01 . 2 . . . . . . . . 4158 1 913 . 1 1 130 130 VAL HG22 H 1 0.91 0.01 . 2 . . . . . . . . 4158 1 914 . 1 1 130 130 VAL HG23 H 1 0.91 0.01 . 2 . . . . . . . . 4158 1 915 . 1 1 130 130 VAL N N 15 123.4 0.1 . 1 . . . . . . . . 4158 1 916 . 1 1 131 131 PHE H H 1 8.76 0.01 . 1 . . . . . . . . 4158 1 917 . 1 1 131 131 PHE HA H 1 4.19 0.01 . 1 . . . . . . . . 4158 1 918 . 1 1 131 131 PHE HB2 H 1 3.33 0.01 . 2 . . . . . . . . 4158 1 919 . 1 1 131 131 PHE HB3 H 1 2.87 0.01 . 2 . . . . . . . . 4158 1 920 . 1 1 131 131 PHE HD1 H 1 7.02 0.01 . 4 . . . . . . . . 4158 1 921 . 1 1 131 131 PHE HD2 H 1 7.02 0.01 . 4 . . . . . . . . 4158 1 922 . 1 1 131 131 PHE HE1 H 1 7.02 0.01 . 4 . . . . . . . . 4158 1 923 . 1 1 131 131 PHE HE2 H 1 7.02 0.01 . 4 . . . . . . . . 4158 1 924 . 1 1 131 131 PHE HZ H 1 6.16 0.01 . 1 . . . . . . . . 4158 1 925 . 1 1 131 131 PHE N N 15 128.9 0.1 . 1 . . . . . . . . 4158 1 926 . 1 1 132 132 CYS H H 1 8.36 0.01 . 1 . . . . . . . . 4158 1 927 . 1 1 132 132 CYS HA H 1 4.62 0.01 . 1 . . . . . . . . 4158 1 928 . 1 1 132 132 CYS HB2 H 1 1.58 0.01 . 2 . . . . . . . . 4158 1 929 . 1 1 132 132 CYS HB3 H 1 1.48 0.01 . 2 . . . . . . . . 4158 1 930 . 1 1 132 132 CYS N N 15 124.7 0.1 . 1 . . . . . . . . 4158 1 931 . 1 1 133 133 GLY H H 1 6.32 0.01 . 1 . . . . . . . . 4158 1 932 . 1 1 133 133 GLY HA2 H 1 3.54 0.01 . 2 . . . . . . . . 4158 1 933 . 1 1 133 133 GLY HA3 H 1 3.15 0.01 . 2 . . . . . . . . 4158 1 934 . 1 1 133 133 GLY N N 15 104.1 0.1 . 1 . . . . . . . . 4158 1 935 . 1 1 134 134 ILE H H 1 5.13 0.01 . 1 . . . . . . . . 4158 1 936 . 1 1 134 134 ILE HA H 1 4.59 0.01 . 1 . . . . . . . . 4158 1 937 . 1 1 134 134 ILE HB H 1 0.80 0.01 . 1 . . . . . . . . 4158 1 938 . 1 1 134 134 ILE HG12 H 1 0.21 0.01 . 2 . . . . . . . . 4158 1 939 . 1 1 134 134 ILE HG21 H 1 0.15 0.01 . 1 . . . . . . . . 4158 1 940 . 1 1 134 134 ILE HG22 H 1 0.15 0.01 . 1 . . . . . . . . 4158 1 941 . 1 1 134 134 ILE HG23 H 1 0.15 0.01 . 1 . . . . . . . . 4158 1 942 . 1 1 134 134 ILE HD11 H 1 0.25 0.01 . 1 . . . . . . . . 4158 1 943 . 1 1 134 134 ILE HD12 H 1 0.25 0.01 . 1 . . . . . . . . 4158 1 944 . 1 1 134 134 ILE HD13 H 1 0.25 0.01 . 1 . . . . . . . . 4158 1 945 . 1 1 134 134 ILE N N 15 119.2 0.1 . 1 . . . . . . . . 4158 1 946 . 1 1 135 135 ILE H H 1 8.27 0.01 . 1 . . . . . . . . 4158 1 947 . 1 1 135 135 ILE HA H 1 5.27 0.01 . 1 . . . . . . . . 4158 1 948 . 1 1 135 135 ILE HB H 1 1.37 0.01 . 1 . . . . . . . . 4158 1 949 . 1 1 135 135 ILE HG12 H 1 0.80 0.01 . 2 . . . . . . . . 4158 1 950 . 1 1 135 135 ILE HG13 H 1 0.53 0.01 . 2 . . . . . . . . 4158 1 951 . 1 1 135 135 ILE HG21 H 1 0.70 0.01 . 1 . . . . . . . . 4158 1 952 . 1 1 135 135 ILE HG22 H 1 0.70 0.01 . 1 . . . . . . . . 4158 1 953 . 1 1 135 135 ILE HG23 H 1 0.70 0.01 . 1 . . . . . . . . 4158 1 954 . 1 1 135 135 ILE HD11 H 1 0.02 0.01 . 1 . . . . . . . . 4158 1 955 . 1 1 135 135 ILE HD12 H 1 0.02 0.01 . 1 . . . . . . . . 4158 1 956 . 1 1 135 135 ILE HD13 H 1 0.02 0.01 . 1 . . . . . . . . 4158 1 957 . 1 1 135 135 ILE N N 15 119.2 0.1 . 1 . . . . . . . . 4158 1 958 . 1 1 136 136 ALA H H 1 8.89 0.01 . 1 . . . . . . . . 4158 1 959 . 1 1 136 136 ALA HA H 1 5.26 0.01 . 1 . . . . . . . . 4158 1 960 . 1 1 136 136 ALA HB1 H 1 1.36 0.01 . 1 . . . . . . . . 4158 1 961 . 1 1 136 136 ALA HB2 H 1 1.36 0.01 . 1 . . . . . . . . 4158 1 962 . 1 1 136 136 ALA HB3 H 1 1.36 0.01 . 1 . . . . . . . . 4158 1 963 . 1 1 136 136 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 4158 1 964 . 1 1 137 137 HIS H H 1 8.85 0.01 . 1 . . . . . . . . 4158 1 965 . 1 1 137 137 HIS HA H 1 4.85 0.01 . 1 . . . . . . . . 4158 1 966 . 1 1 137 137 HIS HB2 H 1 3.64 0.01 . 2 . . . . . . . . 4158 1 967 . 1 1 137 137 HIS HB3 H 1 3.08 0.01 . 2 . . . . . . . . 4158 1 968 . 1 1 137 137 HIS HD2 H 1 7.14 0.01 . 1 . . . . . . . . 4158 1 969 . 1 1 137 137 HIS HE1 H 1 8.87 0.01 . 1 . . . . . . . . 4158 1 970 . 1 1 137 137 HIS N N 15 123.2 0.1 . 1 . . . . . . . . 4158 1 971 . 1 1 138 138 THR H H 1 8.26 0.01 . 1 . . . . . . . . 4158 1 972 . 1 1 138 138 THR HA H 1 4.56 0.01 . 1 . . . . . . . . 4158 1 973 . 1 1 138 138 THR HB H 1 4.40 0.01 . 1 . . . . . . . . 4158 1 974 . 1 1 138 138 THR HG21 H 1 1.42 0.01 . 1 . . . . . . . . 4158 1 975 . 1 1 138 138 THR HG22 H 1 1.42 0.01 . 1 . . . . . . . . 4158 1 976 . 1 1 138 138 THR HG23 H 1 1.42 0.01 . 1 . . . . . . . . 4158 1 977 . 1 1 138 138 THR N N 15 114.0 0.1 . 1 . . . . . . . . 4158 1 978 . 1 1 139 139 LYS H H 1 8.00 0.01 . 1 . . . . . . . . 4158 1 979 . 1 1 139 139 LYS HA H 1 4.83 0.01 . 1 . . . . . . . . 4158 1 980 . 1 1 139 139 LYS HB2 H 1 1.66 0.01 . 2 . . . . . . . . 4158 1 981 . 1 1 139 139 LYS N N 15 126.2 0.1 . 1 . . . . . . . . 4158 1 982 . 1 1 140 140 GLU H H 1 9.10 0.01 . 1 . . . . . . . . 4158 1 983 . 1 1 140 140 GLU HA H 1 4.02 0.01 . 1 . . . . . . . . 4158 1 984 . 1 1 140 140 GLU HB2 H 1 2.37 0.01 . 2 . . . . . . . . 4158 1 985 . 1 1 140 140 GLU HB3 H 1 2.24 0.01 . 2 . . . . . . . . 4158 1 986 . 1 1 140 140 GLU HG2 H 1 2.74 0.01 . 2 . . . . . . . . 4158 1 987 . 1 1 140 140 GLU HG3 H 1 2.63 0.01 . 2 . . . . . . . . 4158 1 988 . 1 1 140 140 GLU N N 15 125.7 0.1 . 1 . . . . . . . . 4158 1 989 . 1 1 141 141 ASN H H 1 8.12 0.01 . 1 . . . . . . . . 4158 1 990 . 1 1 141 141 ASN HA H 1 4.85 0.01 . 1 . . . . . . . . 4158 1 991 . 1 1 141 141 ASN HB2 H 1 2.93 0.01 . 2 . . . . . . . . 4158 1 992 . 1 1 141 141 ASN HB3 H 1 2.70 0.01 . 2 . . . . . . . . 4158 1 993 . 1 1 141 141 ASN HD21 H 1 7.36 0.01 . 1 . . . . . . . . 4158 1 994 . 1 1 141 141 ASN HD22 H 1 6.88 0.01 . 1 . . . . . . . . 4158 1 995 . 1 1 141 141 ASN N N 15 120.4 0.1 . 1 . . . . . . . . 4158 1 996 . 1 1 141 141 ASN ND2 N 15 111.6 0.1 . 1 . . . . . . . . 4158 1 997 . 1 1 142 142 GLN H H 1 8.26 0.01 . 1 . . . . . . . . 4158 1 998 . 1 1 142 142 GLN HA H 1 4.42 0.01 . 1 . . . . . . . . 4158 1 999 . 1 1 142 142 GLN HB2 H 1 2.20 0.01 . 2 . . . . . . . . 4158 1 1000 . 1 1 142 142 GLN HB3 H 1 2.12 0.01 . 2 . . . . . . . . 4158 1 1001 . 1 1 142 142 GLN HG2 H 1 2.34 0.01 . 2 . . . . . . . . 4158 1 1002 . 1 1 142 142 GLN HG3 H 1 2.27 0.01 . 2 . . . . . . . . 4158 1 1003 . 1 1 142 142 GLN HE21 H 1 7.50 0.01 . 1 . . . . . . . . 4158 1 1004 . 1 1 142 142 GLN HE22 H 1 6.90 0.01 . 1 . . . . . . . . 4158 1 1005 . 1 1 142 142 GLN N N 15 118.9 0.1 . 1 . . . . . . . . 4158 1 1006 . 1 1 142 142 GLN NE2 N 15 112.8 0.1 . 1 . . . . . . . . 4158 1 1007 . 1 1 143 143 GLY H H 1 8.61 0.01 . 1 . . . . . . . . 4158 1 1008 . 1 1 143 143 GLY HA2 H 1 4.42 0.01 . 2 . . . . . . . . 4158 1 1009 . 1 1 143 143 GLY HA3 H 1 3.97 0.01 . 2 . . . . . . . . 4158 1 1010 . 1 1 143 143 GLY N N 15 109.5 0.1 . 1 . . . . . . . . 4158 1 1011 . 1 1 144 144 GLU H H 1 8.67 0.01 . 1 . . . . . . . . 4158 1 1012 . 1 1 144 144 GLU HA H 1 4.32 0.01 . 1 . . . . . . . . 4158 1 1013 . 1 1 144 144 GLU HB2 H 1 2.08 0.01 . 2 . . . . . . . . 4158 1 1014 . 1 1 144 144 GLU HG2 H 1 2.41 0.01 . 2 . . . . . . . . 4158 1 1015 . 1 1 144 144 GLU N N 15 124.0 0.1 . 1 . . . . . . . . 4158 1 1016 . 1 1 145 145 LEU H H 1 8.37 0.01 . 1 . . . . . . . . 4158 1 1017 . 1 1 145 145 LEU HA H 1 4.42 0.01 . 1 . . . . . . . . 4158 1 1018 . 1 1 145 145 LEU HB2 H 1 1.62 0.01 . 2 . . . . . . . . 4158 1 1019 . 1 1 145 145 LEU HB3 H 1 0.96 0.01 . 2 . . . . . . . . 4158 1 1020 . 1 1 145 145 LEU HG H 1 1.07 0.01 . 1 . . . . . . . . 4158 1 1021 . 1 1 145 145 LEU HD11 H 1 0.76 0.01 . 1 . . . . . . . . 4158 1 1022 . 1 1 145 145 LEU HD12 H 1 0.76 0.01 . 1 . . . . . . . . 4158 1 1023 . 1 1 145 145 LEU HD13 H 1 0.76 0.01 . 1 . . . . . . . . 4158 1 1024 . 1 1 145 145 LEU HD21 H 1 0.10 0.01 . 1 . . . . . . . . 4158 1 1025 . 1 1 145 145 LEU HD22 H 1 0.10 0.01 . 1 . . . . . . . . 4158 1 1026 . 1 1 145 145 LEU HD23 H 1 0.10 0.01 . 1 . . . . . . . . 4158 1 1027 . 1 1 145 145 LEU N N 15 123.5 0.1 . 1 . . . . . . . . 4158 1 1028 . 1 1 146 146 LYS H H 1 8.14 0.01 . 1 . . . . . . . . 4158 1 1029 . 1 1 146 146 LYS HA H 1 4.60 0.01 . 1 . . . . . . . . 4158 1 1030 . 1 1 146 146 LYS HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4158 1 1031 . 1 1 146 146 LYS HB3 H 1 1.71 0.01 . 2 . . . . . . . . 4158 1 1032 . 1 1 146 146 LYS HG2 H 1 1.42 0.01 . 2 . . . . . . . . 4158 1 1033 . 1 1 146 146 LYS HG3 H 1 1.36 0.01 . 2 . . . . . . . . 4158 1 1034 . 1 1 146 146 LYS N N 15 121.2 0.1 . 1 . . . . . . . . 4158 1 1035 . 1 1 147 147 LEU H H 1 8.69 0.01 . 1 . . . . . . . . 4158 1 1036 . 1 1 147 147 LEU HA H 1 4.35 0.01 . 1 . . . . . . . . 4158 1 1037 . 1 1 147 147 LEU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 4158 1 1038 . 1 1 147 147 LEU HB3 H 1 1.31 0.01 . 2 . . . . . . . . 4158 1 1039 . 1 1 147 147 LEU HG H 1 2.54 0.01 . 1 . . . . . . . . 4158 1 1040 . 1 1 147 147 LEU HD11 H 1 1.16 0.01 . 1 . . . . . . . . 4158 1 1041 . 1 1 147 147 LEU HD12 H 1 1.16 0.01 . 1 . . . . . . . . 4158 1 1042 . 1 1 147 147 LEU HD13 H 1 1.16 0.01 . 1 . . . . . . . . 4158 1 1043 . 1 1 147 147 LEU HD21 H 1 1.11 0.01 . 1 . . . . . . . . 4158 1 1044 . 1 1 147 147 LEU HD22 H 1 1.11 0.01 . 1 . . . . . . . . 4158 1 1045 . 1 1 147 147 LEU HD23 H 1 1.11 0.01 . 1 . . . . . . . . 4158 1 1046 . 1 1 147 147 LEU N N 15 125.1 0.1 . 1 . . . . . . . . 4158 1 1047 . 1 1 148 148 CYS H H 1 8.80 0.01 . 1 . . . . . . . . 4158 1 1048 . 1 1 148 148 CYS HA H 1 5.09 0.01 . 1 . . . . . . . . 4158 1 1049 . 1 1 148 148 CYS HB2 H 1 3.80 0.01 . 1 . . . . . . . . 4158 1 1050 . 1 1 148 148 CYS HB3 H 1 3.35 0.01 . 1 . . . . . . . . 4158 1 1051 . 1 1 148 148 CYS N N 15 127.7 0.1 . 1 . . . . . . . . 4158 1 1052 . 1 1 149 149 SER H H 1 8.77 0.01 . 1 . . . . . . . . 4158 1 1053 . 1 1 149 149 SER HA H 1 4.76 0.01 . 1 . . . . . . . . 4158 1 1054 . 1 1 149 149 SER HB2 H 1 4.07 0.01 . 2 . . . . . . . . 4158 1 1055 . 1 1 149 149 SER N N 15 116.7 0.1 . 1 . . . . . . . . 4158 1 1056 . 1 1 150 150 HIS H H 1 7.88 0.01 . 1 . . . . . . . . 4158 1 1057 . 1 1 150 150 HIS HA H 1 4.49 0.01 . 1 . . . . . . . . 4158 1 1058 . 1 1 150 150 HIS HB2 H 1 2.30 0.01 . 2 . . . . . . . . 4158 1 1059 . 1 1 150 150 HIS HB3 H 1 1.47 0.01 . 2 . . . . . . . . 4158 1 1060 . 1 1 150 150 HIS HD2 H 1 6.17 0.01 . 1 . . . . . . . . 4158 1 1061 . 1 1 150 150 HIS HE1 H 1 8.53 0.01 . 1 . . . . . . . . 4158 1 1062 . 1 1 150 150 HIS N N 15 123.3 0.1 . 1 . . . . . . . . 4158 1 stop_ save_