data_4959 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4959 _Entry.Title ; Solution structure of the epsin N-terminal homology (ENTH) domain of human epsin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-02-21 _Entry.Accession_date 2001-02-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Seizo Koshiba . . . 4959 2 Takanori Kigawa . . . 4959 3 Akira Kikuchi . . . 4959 4 Shigeyuki Yokoyama . . . 4959 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4959 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 920 4959 '13C chemical shifts' 606 4959 '15N chemical shifts' 142 4959 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 . . 2001-05-22 . update author 'updated chemical shift values' 4959 2 . . 2001-05-15 . original author 'original release' 4959 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4959 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the epsin N-terminal homology (ENTH) domain of human epsin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Func. Genomics' _Citation.Journal_name_full 'Journal of Structural and Functional Genomics' _Citation.Journal_volume 2 _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 1 _Citation.Page_last 8 _Citation.Year 2001 _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 Seizo Koshiba . . . 4959 1 2 Takanori Kigawa . . . 4959 1 3 Akira Kikuchi . . . 4959 1 4 Shigeyuki Yokoyama . . . 4959 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ENTH_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ENTH_domain _Assembly.Entry_ID 4959 _Assembly.ID 1 _Assembly.Name 'epsin ENTH domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4959 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 'epsin ENTH domain' 1 $epsin_ENTH_domain . . . native . . . . . 4959 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 1INZ . . . . . 'the residue number is from -3 to 144' 4959 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'epsin ENTH domain' system 4959 1 'ENTH domain' abbreviation 4959 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_epsin_ENTH_domain _Entity.Sf_category entity _Entity.Sf_framecode epsin_ENTH_domain _Entity.Entry_ID 4959 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'epsin ENTH domain' _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 ; GSSRMSTSSLRRQMKNIVHN YSEAEIKVREATSNDPWGPS SSLMSEIADLTYNVVAFSEI MSMIWKRLNDHGKNWRHVYK AMTLMEYLIKTGSERVSQQC KENMYAVQTLKDFQYVDRDG KDQGVNVREKAKQLVALLRD EDRLREER ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1EYH . "Crystal Structure Of The Epsin N-Terminal Homology (Enth) Domain At 1.56 Angstrom Resolution" . . . . . 87.84 144 100.00 100.00 6.66e-92 . . . . 4959 1 2 no PDB 1H0A . "Epsin Enth Bound To Ins(1,4,5)p3" . . . . . 97.30 158 100.00 100.00 2.78e-102 . . . . 4959 1 3 no PDB 1INZ . "Solution Structure Of The Epsin N-Terminal Homology (Enth) Domain Of Human Epsin" . . . . . 100.00 148 100.00 100.00 9.81e-105 . . . . 4959 1 4 no DBJ BAB14041 . "unnamed protein product [Homo sapiens]" . . . . . 97.30 576 100.00 100.00 2.90e-99 . . . . 4959 1 5 no DBJ BAG62253 . "unnamed protein product [Homo sapiens]" . . . . . 70.95 536 100.00 100.00 4.48e-68 . . . . 4959 1 6 no DBJ BAI45694 . "epsin 1 [synthetic construct]" . . . . . 97.30 551 100.00 100.00 1.51e-99 . . . . 4959 1 7 no GB AAC33823 . "EH domain binding protein Epsin [Rattus norvegicus]" . . . . . 97.30 575 100.00 100.00 2.82e-99 . . . . 4959 1 8 no GB AAD38326 . "EH domain-binding mitotic phosphoprotein [Homo sapiens]" . . . . . 97.30 551 100.00 100.00 1.51e-99 . . . . 4959 1 9 no GB AAH44651 . "Epsin 1 [Homo sapiens]" . . . . . 97.30 550 100.00 100.00 1.47e-99 . . . . 4959 1 10 no GB AAH46962 . "Epsin 1 [Mus musculus]" . . . . . 97.30 575 100.00 100.00 2.82e-99 . . . . 4959 1 11 no GB AAH67206 . "Epn1 protein [Mus musculus]" . . . . . 97.30 575 100.00 100.00 2.82e-99 . . . . 4959 1 12 no REF NP_001033759 . "epsin-1 [Bos taurus]" . . . . . 97.30 576 97.22 99.31 2.74e-96 . . . . 4959 1 13 no REF NP_001123543 . "epsin-1 isoform a [Homo sapiens]" . . . . . 97.30 662 100.00 100.00 2.39e-98 . . . . 4959 1 14 no REF NP_001123544 . "epsin-1 isoform b [Homo sapiens]" . . . . . 97.30 576 100.00 100.00 2.90e-99 . . . . 4959 1 15 no REF NP_001239383 . "epsin-1 [Mus musculus]" . . . . . 97.30 575 100.00 100.00 2.82e-99 . . . . 4959 1 16 no REF NP_034277 . "epsin-1 [Mus musculus]" . . . . . 97.30 575 100.00 100.00 2.82e-99 . . . . 4959 1 17 no SP O88339 . "RecName: Full=Epsin-1; AltName: Full=EPS-15-interacting protein 1 [Rattus norvegicus]" . . . . . 97.30 575 100.00 100.00 2.82e-99 . . . . 4959 1 18 no SP Q80VP1 . "RecName: Full=Epsin-1; AltName: Full=EPS-15-interacting protein 1; AltName: Full=Intersectin-EH-binding protein 1; Short=Ibp1 [" . . . . . 97.30 575 100.00 100.00 2.82e-99 . . . . 4959 1 19 no SP Q9Y6I3 . "RecName: Full=Epsin-1; AltName: Full=EH domain-binding mitotic phosphoprotein; AltName: Full=EPS-15-interacting protein 1 [Homo" . . . . . 97.30 576 100.00 100.00 2.90e-99 . . . . 4959 1 20 no TPG DAA19370 . "TPA: epsin 1 [Bos taurus]" . . . . . 97.30 576 98.61 100.00 4.11e-98 . . . . 4959 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'epsin ENTH domain' common 4959 1 'epsin ENTH domain' abbreviation 4959 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 4959 1 2 . SER . 4959 1 3 . SER . 4959 1 4 . ARG . 4959 1 5 . MET . 4959 1 6 . SER . 4959 1 7 . THR . 4959 1 8 . SER . 4959 1 9 . SER . 4959 1 10 . LEU . 4959 1 11 . ARG . 4959 1 12 . ARG . 4959 1 13 . GLN . 4959 1 14 . MET . 4959 1 15 . LYS . 4959 1 16 . ASN . 4959 1 17 . ILE . 4959 1 18 . VAL . 4959 1 19 . HIS . 4959 1 20 . ASN . 4959 1 21 . TYR . 4959 1 22 . SER . 4959 1 23 . GLU . 4959 1 24 . ALA . 4959 1 25 . GLU . 4959 1 26 . ILE . 4959 1 27 . LYS . 4959 1 28 . VAL . 4959 1 29 . ARG . 4959 1 30 . GLU . 4959 1 31 . ALA . 4959 1 32 . THR . 4959 1 33 . SER . 4959 1 34 . ASN . 4959 1 35 . ASP . 4959 1 36 . PRO . 4959 1 37 . TRP . 4959 1 38 . GLY . 4959 1 39 . PRO . 4959 1 40 . SER . 4959 1 41 . SER . 4959 1 42 . SER . 4959 1 43 . LEU . 4959 1 44 . MET . 4959 1 45 . SER . 4959 1 46 . GLU . 4959 1 47 . ILE . 4959 1 48 . ALA . 4959 1 49 . ASP . 4959 1 50 . LEU . 4959 1 51 . THR . 4959 1 52 . TYR . 4959 1 53 . ASN . 4959 1 54 . VAL . 4959 1 55 . VAL . 4959 1 56 . ALA . 4959 1 57 . PHE . 4959 1 58 . SER . 4959 1 59 . GLU . 4959 1 60 . ILE . 4959 1 61 . MET . 4959 1 62 . SER . 4959 1 63 . MET . 4959 1 64 . ILE . 4959 1 65 . TRP . 4959 1 66 . LYS . 4959 1 67 . ARG . 4959 1 68 . LEU . 4959 1 69 . ASN . 4959 1 70 . ASP . 4959 1 71 . HIS . 4959 1 72 . GLY . 4959 1 73 . LYS . 4959 1 74 . ASN . 4959 1 75 . TRP . 4959 1 76 . ARG . 4959 1 77 . HIS . 4959 1 78 . VAL . 4959 1 79 . TYR . 4959 1 80 . LYS . 4959 1 81 . ALA . 4959 1 82 . MET . 4959 1 83 . THR . 4959 1 84 . LEU . 4959 1 85 . MET . 4959 1 86 . GLU . 4959 1 87 . TYR . 4959 1 88 . LEU . 4959 1 89 . ILE . 4959 1 90 . LYS . 4959 1 91 . THR . 4959 1 92 . GLY . 4959 1 93 . SER . 4959 1 94 . GLU . 4959 1 95 . ARG . 4959 1 96 . VAL . 4959 1 97 . SER . 4959 1 98 . GLN . 4959 1 99 . GLN . 4959 1 100 . CYS . 4959 1 101 . LYS . 4959 1 102 . GLU . 4959 1 103 . ASN . 4959 1 104 . MET . 4959 1 105 . TYR . 4959 1 106 . ALA . 4959 1 107 . VAL . 4959 1 108 . GLN . 4959 1 109 . THR . 4959 1 110 . LEU . 4959 1 111 . LYS . 4959 1 112 . ASP . 4959 1 113 . PHE . 4959 1 114 . GLN . 4959 1 115 . TYR . 4959 1 116 . VAL . 4959 1 117 . ASP . 4959 1 118 . ARG . 4959 1 119 . ASP . 4959 1 120 . GLY . 4959 1 121 . LYS . 4959 1 122 . ASP . 4959 1 123 . GLN . 4959 1 124 . GLY . 4959 1 125 . VAL . 4959 1 126 . ASN . 4959 1 127 . VAL . 4959 1 128 . ARG . 4959 1 129 . GLU . 4959 1 130 . LYS . 4959 1 131 . ALA . 4959 1 132 . LYS . 4959 1 133 . GLN . 4959 1 134 . LEU . 4959 1 135 . VAL . 4959 1 136 . ALA . 4959 1 137 . LEU . 4959 1 138 . LEU . 4959 1 139 . ARG . 4959 1 140 . ASP . 4959 1 141 . GLU . 4959 1 142 . ASP . 4959 1 143 . ARG . 4959 1 144 . LEU . 4959 1 145 . ARG . 4959 1 146 . GLU . 4959 1 147 . GLU . 4959 1 148 . ARG . 4959 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4959 1 . SER 2 2 4959 1 . SER 3 3 4959 1 . ARG 4 4 4959 1 . MET 5 5 4959 1 . SER 6 6 4959 1 . THR 7 7 4959 1 . SER 8 8 4959 1 . SER 9 9 4959 1 . LEU 10 10 4959 1 . ARG 11 11 4959 1 . ARG 12 12 4959 1 . GLN 13 13 4959 1 . MET 14 14 4959 1 . LYS 15 15 4959 1 . ASN 16 16 4959 1 . ILE 17 17 4959 1 . VAL 18 18 4959 1 . HIS 19 19 4959 1 . ASN 20 20 4959 1 . TYR 21 21 4959 1 . SER 22 22 4959 1 . GLU 23 23 4959 1 . ALA 24 24 4959 1 . GLU 25 25 4959 1 . ILE 26 26 4959 1 . LYS 27 27 4959 1 . VAL 28 28 4959 1 . ARG 29 29 4959 1 . GLU 30 30 4959 1 . ALA 31 31 4959 1 . THR 32 32 4959 1 . SER 33 33 4959 1 . ASN 34 34 4959 1 . ASP 35 35 4959 1 . PRO 36 36 4959 1 . TRP 37 37 4959 1 . GLY 38 38 4959 1 . PRO 39 39 4959 1 . SER 40 40 4959 1 . SER 41 41 4959 1 . SER 42 42 4959 1 . LEU 43 43 4959 1 . MET 44 44 4959 1 . SER 45 45 4959 1 . GLU 46 46 4959 1 . ILE 47 47 4959 1 . ALA 48 48 4959 1 . ASP 49 49 4959 1 . LEU 50 50 4959 1 . THR 51 51 4959 1 . TYR 52 52 4959 1 . ASN 53 53 4959 1 . VAL 54 54 4959 1 . VAL 55 55 4959 1 . ALA 56 56 4959 1 . PHE 57 57 4959 1 . SER 58 58 4959 1 . GLU 59 59 4959 1 . ILE 60 60 4959 1 . MET 61 61 4959 1 . SER 62 62 4959 1 . MET 63 63 4959 1 . ILE 64 64 4959 1 . TRP 65 65 4959 1 . LYS 66 66 4959 1 . ARG 67 67 4959 1 . LEU 68 68 4959 1 . ASN 69 69 4959 1 . ASP 70 70 4959 1 . HIS 71 71 4959 1 . GLY 72 72 4959 1 . LYS 73 73 4959 1 . ASN 74 74 4959 1 . TRP 75 75 4959 1 . ARG 76 76 4959 1 . HIS 77 77 4959 1 . VAL 78 78 4959 1 . TYR 79 79 4959 1 . LYS 80 80 4959 1 . ALA 81 81 4959 1 . MET 82 82 4959 1 . THR 83 83 4959 1 . LEU 84 84 4959 1 . MET 85 85 4959 1 . GLU 86 86 4959 1 . TYR 87 87 4959 1 . LEU 88 88 4959 1 . ILE 89 89 4959 1 . LYS 90 90 4959 1 . THR 91 91 4959 1 . GLY 92 92 4959 1 . SER 93 93 4959 1 . GLU 94 94 4959 1 . ARG 95 95 4959 1 . VAL 96 96 4959 1 . SER 97 97 4959 1 . GLN 98 98 4959 1 . GLN 99 99 4959 1 . CYS 100 100 4959 1 . LYS 101 101 4959 1 . GLU 102 102 4959 1 . ASN 103 103 4959 1 . MET 104 104 4959 1 . TYR 105 105 4959 1 . ALA 106 106 4959 1 . VAL 107 107 4959 1 . GLN 108 108 4959 1 . THR 109 109 4959 1 . LEU 110 110 4959 1 . LYS 111 111 4959 1 . ASP 112 112 4959 1 . PHE 113 113 4959 1 . GLN 114 114 4959 1 . TYR 115 115 4959 1 . VAL 116 116 4959 1 . ASP 117 117 4959 1 . ARG 118 118 4959 1 . ASP 119 119 4959 1 . GLY 120 120 4959 1 . LYS 121 121 4959 1 . ASP 122 122 4959 1 . GLN 123 123 4959 1 . GLY 124 124 4959 1 . VAL 125 125 4959 1 . ASN 126 126 4959 1 . VAL 127 127 4959 1 . ARG 128 128 4959 1 . GLU 129 129 4959 1 . LYS 130 130 4959 1 . ALA 131 131 4959 1 . LYS 132 132 4959 1 . GLN 133 133 4959 1 . LEU 134 134 4959 1 . VAL 135 135 4959 1 . ALA 136 136 4959 1 . LEU 137 137 4959 1 . LEU 138 138 4959 1 . ARG 139 139 4959 1 . ASP 140 140 4959 1 . GLU 141 141 4959 1 . ASP 142 142 4959 1 . ARG 143 143 4959 1 . LEU 144 144 4959 1 . ARG 145 145 4959 1 . GLU 146 146 4959 1 . GLU 147 147 4959 1 . ARG 148 148 4959 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 4959 _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 $epsin_ENTH_domain . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4959 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 4959 _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 $epsin_ENTH_domain . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pGEX2T . . . . . . 4959 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 4959 _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 'epsin ENTH domain' '[U-13C; U-15N]' . . 1 $epsin_ENTH_domain . . 1.0 . . mM . . . . 4959 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4959 1 3 'sodium chloride' . . . . . . . 400 . . mM . . . . 4959 1 4 dithiothreitol [U-2H] . . . . . . 2 . . mM . . . . 4959 1 5 'sodium azide' . . . . . . . 0.01 . . % . . . . 4959 1 6 H2O . . . . . . . 90 . . % . . . . 4959 1 7 D2O . . . . . . . 10 . . % . . . . 4959 1 stop_ save_ save_sample2 _Sample.Sf_category sample _Sample.Sf_framecode sample2 _Sample.Entry_ID 4959 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'epsin ENTH domain' [U-15N] . . 1 $epsin_ENTH_domain . . 1.0 . . mM . . . . 4959 2 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4959 2 3 'sodium chloride' . . . . . . . 400 . . mM . . . . 4959 2 4 dithiothreitol [U-2H] . . . . . . 2 . . mM . . . . 4959 2 5 'sodium azide' . . . . . . . 0.01 . . % . . . . 4959 2 6 H2O . . . . . . . 90 . . % . . . . 4959 2 7 D2O . . . . . . . 10 . . % . . . . 4959 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond1 _Sample_condition_list.Entry_ID 4959 _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 6.5 0.3 n/a 4959 1 temperature 303 0.5 K 4959 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4959 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4959 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4959 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 4959 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4959 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4959 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 500 . . . 4959 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 4959 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 2 '3D 15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 3 '3D 15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 4 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 5 '2D 13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 6 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 7 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 8 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 9 '3D HCACO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 10 '3D CBCANH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 11 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 12 '3D HBHA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 13 '3D C(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 14 '3D H(CCO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 15 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 16 '3D HCCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 17 '3D 13C NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 18 '4D 13C/15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 19 '4D 13C/13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4959 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCACO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D CBCANH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D H(CCO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D 13C NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '4D 13C/15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_19 _NMR_spec_expt.Entry_ID 4959 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '4D 13C/13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4959 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.713ppm at 303K), and then those of 15N and 13C were calculated based on their gyromagnetic ratios. In the case of 15N, correction value (+1.731ppm) was added to the calculated chemical shift values. ; 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 H2O proton . . . . ppm 4.713 internal direct . . . . . . . . . . 4959 1 N 15 DSS proton . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 4959 1 C 13 DSS proton . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 4959 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4959 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample1 . 4959 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 3 3 SER N N 15 119.792 0.2 . 1 . . . . . . . . 4959 1 2 . 1 1 3 3 SER H H 1 8.494 0.03 . 1 . . . . . . . . 4959 1 3 . 1 1 3 3 SER CA C 13 56.130 0.3 . 1 . . . . . . . . 4959 1 4 . 1 1 3 3 SER HA H 1 4.506 0.03 . 1 . . . . . . . . 4959 1 5 . 1 1 3 3 SER CB C 13 61.609 0.3 . 1 . . . . . . . . 4959 1 6 . 1 1 3 3 SER HB2 H 1 3.901 0.03 . 1 . . . . . . . . 4959 1 7 . 1 1 3 3 SER HB3 H 1 3.901 0.03 . 1 . . . . . . . . 4959 1 8 . 1 1 3 3 SER C C 13 172.319 0.3 . 1 . . . . . . . . 4959 1 9 . 1 1 4 4 ARG N N 15 124.393 0.2 . 1 . . . . . . . . 4959 1 10 . 1 1 4 4 ARG H H 1 8.394 0.03 . 1 . . . . . . . . 4959 1 11 . 1 1 4 4 ARG CA C 13 54.086 0.3 . 1 . . . . . . . . 4959 1 12 . 1 1 4 4 ARG HA H 1 4.371 0.03 . 1 . . . . . . . . 4959 1 13 . 1 1 4 4 ARG CB C 13 28.474 0.3 . 1 . . . . . . . . 4959 1 14 . 1 1 4 4 ARG HB2 H 1 1.806 0.03 . 2 . . . . . . . . 4959 1 15 . 1 1 4 4 ARG HB3 H 1 1.869 0.03 . 2 . . . . . . . . 4959 1 16 . 1 1 4 4 ARG HG2 H 1 1.649 0.03 . 2 . . . . . . . . 4959 1 17 . 1 1 4 4 ARG HD2 H 1 3.206 0.03 . 2 . . . . . . . . 4959 1 18 . 1 1 4 4 ARG C C 13 174.071 0.3 . 1 . . . . . . . . 4959 1 19 . 1 1 5 5 MET N N 15 122.709 0.2 . 1 . . . . . . . . 4959 1 20 . 1 1 5 5 MET H H 1 8.327 0.03 . 1 . . . . . . . . 4959 1 21 . 1 1 5 5 MET CA C 13 53.347 0.3 . 1 . . . . . . . . 4959 1 22 . 1 1 5 5 MET HA H 1 4.518 0.03 . 1 . . . . . . . . 4959 1 23 . 1 1 5 5 MET CB C 13 30.475 0.3 . 1 . . . . . . . . 4959 1 24 . 1 1 5 5 MET HB2 H 1 2.104 0.03 . 2 . . . . . . . . 4959 1 25 . 1 1 5 5 MET HB3 H 1 2.034 0.03 . 2 . . . . . . . . 4959 1 26 . 1 1 5 5 MET CG C 13 29.997 0.3 . 1 . . . . . . . . 4959 1 27 . 1 1 5 5 MET HG2 H 1 2.553 0.03 . 2 . . . . . . . . 4959 1 28 . 1 1 5 5 MET HG3 H 1 2.628 0.03 . 2 . . . . . . . . 4959 1 29 . 1 1 5 5 MET C C 13 174.053 0.3 . 1 . . . . . . . . 4959 1 30 . 1 1 6 6 SER N N 15 118.654 0.2 . 1 . . . . . . . . 4959 1 31 . 1 1 6 6 SER H H 1 8.344 0.03 . 1 . . . . . . . . 4959 1 32 . 1 1 6 6 SER CA C 13 56.043 0.3 . 1 . . . . . . . . 4959 1 33 . 1 1 6 6 SER HA H 1 4.537 0.03 . 1 . . . . . . . . 4959 1 34 . 1 1 6 6 SER CB C 13 61.609 0.3 . 1 . . . . . . . . 4959 1 35 . 1 1 6 6 SER HB2 H 1 3.934 0.03 . 1 . . . . . . . . 4959 1 36 . 1 1 6 6 SER HB3 H 1 3.934 0.03 . 1 . . . . . . . . 4959 1 37 . 1 1 6 6 SER C C 13 172.793 0.3 . 1 . . . . . . . . 4959 1 38 . 1 1 7 7 THR N N 15 117.213 0.2 . 1 . . . . . . . . 4959 1 39 . 1 1 7 7 THR H H 1 8.239 0.03 . 1 . . . . . . . . 4959 1 40 . 1 1 7 7 THR CA C 13 60.087 0.3 . 1 . . . . . . . . 4959 1 41 . 1 1 7 7 THR HA H 1 4.364 0.03 . 1 . . . . . . . . 4959 1 42 . 1 1 7 7 THR CB C 13 67.349 0.3 . 1 . . . . . . . . 4959 1 43 . 1 1 7 7 THR HB H 1 4.316 0.03 . 1 . . . . . . . . 4959 1 44 . 1 1 7 7 THR CG2 C 13 19.441 0.3 . 1 . . . . . . . . 4959 1 45 . 1 1 7 7 THR HG21 H 1 1.239 0.03 . 1 . . . . . . . . 4959 1 46 . 1 1 7 7 THR HG22 H 1 1.239 0.03 . 1 . . . . . . . . 4959 1 47 . 1 1 7 7 THR HG23 H 1 1.239 0.03 . 1 . . . . . . . . 4959 1 48 . 1 1 7 7 THR C C 13 172.811 0.3 . 1 . . . . . . . . 4959 1 49 . 1 1 8 8 SER N N 15 119.047 0.2 . 1 . . . . . . . . 4959 1 50 . 1 1 8 8 SER H H 1 8.293 0.03 . 1 . . . . . . . . 4959 1 51 . 1 1 8 8 SER CA C 13 56.738 0.3 . 1 . . . . . . . . 4959 1 52 . 1 1 8 8 SER HA H 1 4.447 0.03 . 1 . . . . . . . . 4959 1 53 . 1 1 8 8 SER CB C 13 61.435 0.3 . 1 . . . . . . . . 4959 1 54 . 1 1 8 8 SER HB2 H 1 3.921 0.03 . 1 . . . . . . . . 4959 1 55 . 1 1 8 8 SER HB3 H 1 3.921 0.03 . 1 . . . . . . . . 4959 1 56 . 1 1 8 8 SER C C 13 172.847 0.3 . 1 . . . . . . . . 4959 1 57 . 1 1 9 9 SER N N 15 119.449 0.2 . 1 . . . . . . . . 4959 1 58 . 1 1 9 9 SER H H 1 8.268 0.03 . 1 . . . . . . . . 4959 1 59 . 1 1 9 9 SER CA C 13 56.869 0.3 . 1 . . . . . . . . 4959 1 60 . 1 1 9 9 SER HA H 1 4.420 0.03 . 1 . . . . . . . . 4959 1 61 . 1 1 9 9 SER CB C 13 61.348 0.3 . 1 . . . . . . . . 4959 1 62 . 1 1 9 9 SER HB2 H 1 3.913 0.03 . 1 . . . . . . . . 4959 1 63 . 1 1 9 9 SER HB3 H 1 3.913 0.03 . 1 . . . . . . . . 4959 1 64 . 1 1 9 9 SER C C 13 172.595 0.3 . 1 . . . . . . . . 4959 1 65 . 1 1 10 10 LEU N N 15 125.015 0.2 . 1 . . . . . . . . 4959 1 66 . 1 1 10 10 LEU H H 1 8.078 0.03 . 1 . . . . . . . . 4959 1 67 . 1 1 10 10 LEU CA C 13 53.608 0.3 . 1 . . . . . . . . 4959 1 68 . 1 1 10 10 LEU HA H 1 4.300 0.03 . 1 . . . . . . . . 4959 1 69 . 1 1 10 10 LEU CB C 13 39.867 0.3 . 1 . . . . . . . . 4959 1 70 . 1 1 10 10 LEU HB2 H 1 1.629 0.03 . 2 . . . . . . . . 4959 1 71 . 1 1 10 10 LEU HB3 H 1 1.714 0.03 . 2 . . . . . . . . 4959 1 72 . 1 1 10 10 LEU CG C 13 24.850 0.3 . 1 . . . . . . . . 4959 1 73 . 1 1 10 10 LEU HG H 1 1.644 0.03 . 1 . . . . . . . . 4959 1 74 . 1 1 10 10 LEU CD1 C 13 22.772 0.3 . 2 . . . . . . . . 4959 1 75 . 1 1 10 10 LEU HD11 H 1 0.919 0.03 . 2 . . . . . . . . 4959 1 76 . 1 1 10 10 LEU HD12 H 1 0.919 0.03 . 2 . . . . . . . . 4959 1 77 . 1 1 10 10 LEU HD13 H 1 0.919 0.03 . 2 . . . . . . . . 4959 1 78 . 1 1 10 10 LEU CD2 C 13 21.510 0.3 . 2 . . . . . . . . 4959 1 79 . 1 1 10 10 LEU HD21 H 1 0.872 0.03 . 2 . . . . . . . . 4959 1 80 . 1 1 10 10 LEU HD22 H 1 0.872 0.03 . 2 . . . . . . . . 4959 1 81 . 1 1 10 10 LEU HD23 H 1 0.872 0.03 . 2 . . . . . . . . 4959 1 82 . 1 1 10 10 LEU C C 13 175.402 0.3 . 1 . . . . . . . . 4959 1 83 . 1 1 11 11 ARG N N 15 122.235 0.2 . 1 . . . . . . . . 4959 1 84 . 1 1 11 11 ARG H H 1 8.123 0.03 . 1 . . . . . . . . 4959 1 85 . 1 1 11 11 ARG CA C 13 54.303 0.3 . 1 . . . . . . . . 4959 1 86 . 1 1 11 11 ARG HA H 1 4.269 0.03 . 1 . . . . . . . . 4959 1 87 . 1 1 11 11 ARG CB C 13 28.387 0.3 . 1 . . . . . . . . 4959 1 88 . 1 1 11 11 ARG HB2 H 1 1.859 0.03 . 2 . . . . . . . . 4959 1 89 . 1 1 11 11 ARG HB3 H 1 1.794 0.03 . 2 . . . . . . . . 4959 1 90 . 1 1 11 11 ARG CG C 13 24.947 0.3 . 1 . . . . . . . . 4959 1 91 . 1 1 11 11 ARG HG2 H 1 1.641 0.03 . 1 . . . . . . . . 4959 1 92 . 1 1 11 11 ARG HG3 H 1 1.641 0.03 . 1 . . . . . . . . 4959 1 93 . 1 1 11 11 ARG CD C 13 41.126 0.3 . 1 . . . . . . . . 4959 1 94 . 1 1 11 11 ARG HD2 H 1 3.219 0.03 . 1 . . . . . . . . 4959 1 95 . 1 1 11 11 ARG HD3 H 1 3.219 0.03 . 1 . . . . . . . . 4959 1 96 . 1 1 11 11 ARG C C 13 172.085 0.3 . 1 . . . . . . . . 4959 1 97 . 1 1 12 12 ARG N N 15 122.784 0.2 . 1 . . . . . . . . 4959 1 98 . 1 1 12 12 ARG H H 1 8.134 0.03 . 1 . . . . . . . . 4959 1 99 . 1 1 12 12 ARG CA C 13 54.434 0.3 . 1 . . . . . . . . 4959 1 100 . 1 1 12 12 ARG HA H 1 4.287 0.03 . 1 . . . . . . . . 4959 1 101 . 1 1 12 12 ARG CB C 13 28.474 0.3 . 1 . . . . . . . . 4959 1 102 . 1 1 12 12 ARG HB2 H 1 1.826 0.03 . 2 . . . . . . . . 4959 1 103 . 1 1 12 12 ARG HB3 H 1 1.870 0.03 . 2 . . . . . . . . 4959 1 104 . 1 1 12 12 ARG CG C 13 24.907 0.3 . 1 . . . . . . . . 4959 1 105 . 1 1 12 12 ARG HG2 H 1 1.647 0.03 . 1 . . . . . . . . 4959 1 106 . 1 1 12 12 ARG HG3 H 1 1.647 0.03 . 1 . . . . . . . . 4959 1 107 . 1 1 12 12 ARG CD C 13 41.148 0.3 . 1 . . . . . . . . 4959 1 108 . 1 1 12 12 ARG HD2 H 1 3.213 0.03 . 1 . . . . . . . . 4959 1 109 . 1 1 12 12 ARG HD3 H 1 3.213 0.03 . 1 . . . . . . . . 4959 1 110 . 1 1 12 12 ARG C C 13 174.053 0.3 . 1 . . . . . . . . 4959 1 111 . 1 1 13 13 GLN N N 15 122.232 0.2 . 1 . . . . . . . . 4959 1 112 . 1 1 13 13 GLN H H 1 8.280 0.03 . 1 . . . . . . . . 4959 1 113 . 1 1 13 13 GLN CA C 13 53.999 0.3 . 1 . . . . . . . . 4959 1 114 . 1 1 13 13 GLN HA H 1 4.334 0.03 . 1 . . . . . . . . 4959 1 115 . 1 1 13 13 GLN CB C 13 27.257 0.3 . 1 . . . . . . . . 4959 1 116 . 1 1 13 13 GLN HB2 H 1 2.090 0.03 . 2 . . . . . . . . 4959 1 117 . 1 1 13 13 GLN HB3 H 1 2.004 0.03 . 2 . . . . . . . . 4959 1 118 . 1 1 13 13 GLN CG C 13 31.667 0.3 . 1 . . . . . . . . 4959 1 119 . 1 1 13 13 GLN HG2 H 1 2.378 0.03 . 1 . . . . . . . . 4959 1 120 . 1 1 13 13 GLN HG3 H 1 2.378 0.03 . 1 . . . . . . . . 4959 1 121 . 1 1 13 13 GLN C C 13 173.927 0.3 . 1 . . . . . . . . 4959 1 122 . 1 1 14 14 MET N N 15 122.868 0.2 . 1 . . . . . . . . 4959 1 123 . 1 1 14 14 MET H H 1 8.280 0.03 . 1 . . . . . . . . 4959 1 124 . 1 1 14 14 MET CA C 13 53.521 0.3 . 1 . . . . . . . . 4959 1 125 . 1 1 14 14 MET HA H 1 4.461 0.03 . 1 . . . . . . . . 4959 1 126 . 1 1 14 14 MET CB C 13 30.388 0.3 . 1 . . . . . . . . 4959 1 127 . 1 1 14 14 MET HB2 H 1 2.100 0.03 . 2 . . . . . . . . 4959 1 128 . 1 1 14 14 MET HB3 H 1 2.029 0.03 . 2 . . . . . . . . 4959 1 129 . 1 1 14 14 MET CG C 13 29.970 0.3 . 1 . . . . . . . . 4959 1 130 . 1 1 14 14 MET HG2 H 1 2.553 0.03 . 2 . . . . . . . . 4959 1 131 . 1 1 14 14 MET HG3 H 1 2.624 0.03 . 2 . . . . . . . . 4959 1 132 . 1 1 14 14 MET C C 13 173.945 0.3 . 1 . . . . . . . . 4959 1 133 . 1 1 15 15 LYS N N 15 123.036 0.2 . 1 . . . . . . . . 4959 1 134 . 1 1 15 15 LYS H H 1 8.205 0.03 . 1 . . . . . . . . 4959 1 135 . 1 1 15 15 LYS CA C 13 54.303 0.3 . 1 . . . . . . . . 4959 1 136 . 1 1 15 15 LYS HA H 1 4.297 0.03 . 1 . . . . . . . . 4959 1 137 . 1 1 15 15 LYS CB C 13 30.736 0.3 . 1 . . . . . . . . 4959 1 138 . 1 1 15 15 LYS HB2 H 1 1.819 0.03 . 2 . . . . . . . . 4959 1 139 . 1 1 15 15 LYS HB3 H 1 1.752 0.03 . 2 . . . . . . . . 4959 1 140 . 1 1 15 15 LYS CG C 13 22.542 0.3 . 1 . . . . . . . . 4959 1 141 . 1 1 15 15 LYS HG2 H 1 1.395 0.03 . 2 . . . . . . . . 4959 1 142 . 1 1 15 15 LYS HG3 H 1 1.437 0.03 . 2 . . . . . . . . 4959 1 143 . 1 1 15 15 LYS CD C 13 26.946 0.3 . 1 . . . . . . . . 4959 1 144 . 1 1 15 15 LYS HD2 H 1 1.688 0.03 . 1 . . . . . . . . 4959 1 145 . 1 1 15 15 LYS HD3 H 1 1.688 0.03 . 1 . . . . . . . . 4959 1 146 . 1 1 15 15 LYS CE C 13 39.908 0.3 . 1 . . . . . . . . 4959 1 147 . 1 1 15 15 LYS HE2 H 1 3.001 0.03 . 1 . . . . . . . . 4959 1 148 . 1 1 15 15 LYS HE3 H 1 3.001 0.03 . 1 . . . . . . . . 4959 1 149 . 1 1 15 15 LYS C C 13 174.035 0.3 . 1 . . . . . . . . 4959 1 150 . 1 1 16 16 ASN N N 15 120.842 0.2 . 1 . . . . . . . . 4959 1 151 . 1 1 16 16 ASN H H 1 8.355 0.03 . 1 . . . . . . . . 4959 1 152 . 1 1 16 16 ASN CA C 13 51.129 0.3 . 1 . . . . . . . . 4959 1 153 . 1 1 16 16 ASN HA H 1 4.694 0.03 . 1 . . . . . . . . 4959 1 154 . 1 1 16 16 ASN CB C 13 36.649 0.3 . 1 . . . . . . . . 4959 1 155 . 1 1 16 16 ASN HB2 H 1 2.736 0.03 . 2 . . . . . . . . 4959 1 156 . 1 1 16 16 ASN HB3 H 1 2.801 0.03 . 2 . . . . . . . . 4959 1 157 . 1 1 16 16 ASN C C 13 172.505 0.3 . 1 . . . . . . . . 4959 1 158 . 1 1 17 17 ILE N N 15 122.527 0.2 . 1 . . . . . . . . 4959 1 159 . 1 1 17 17 ILE H H 1 7.959 0.03 . 1 . . . . . . . . 4959 1 160 . 1 1 17 17 ILE CA C 13 58.869 0.3 . 1 . . . . . . . . 4959 1 161 . 1 1 17 17 ILE HA H 1 4.140 0.03 . 1 . . . . . . . . 4959 1 162 . 1 1 17 17 ILE CB C 13 36.736 0.3 . 1 . . . . . . . . 4959 1 163 . 1 1 17 17 ILE HB H 1 1.822 0.03 . 1 . . . . . . . . 4959 1 164 . 1 1 17 17 ILE CG1 C 13 24.976 0.3 . 1 . . . . . . . . 4959 1 165 . 1 1 17 17 ILE HG12 H 1 1.148 0.03 . 2 . . . . . . . . 4959 1 166 . 1 1 17 17 ILE HG13 H 1 1.411 0.03 . 2 . . . . . . . . 4959 1 167 . 1 1 17 17 ILE CG2 C 13 15.231 0.3 . 1 . . . . . . . . 4959 1 168 . 1 1 17 17 ILE HG21 H 1 0.772 0.03 . 1 . . . . . . . . 4959 1 169 . 1 1 17 17 ILE HG22 H 1 0.772 0.03 . 1 . . . . . . . . 4959 1 170 . 1 1 17 17 ILE HG23 H 1 0.772 0.03 . 1 . . . . . . . . 4959 1 171 . 1 1 17 17 ILE CD1 C 13 10.662 0.3 . 1 . . . . . . . . 4959 1 172 . 1 1 17 17 ILE HD11 H 1 0.819 0.03 . 1 . . . . . . . . 4959 1 173 . 1 1 17 17 ILE HD12 H 1 0.819 0.03 . 1 . . . . . . . . 4959 1 174 . 1 1 17 17 ILE HD13 H 1 0.819 0.03 . 1 . . . . . . . . 4959 1 175 . 1 1 17 17 ILE C C 13 173.675 0.3 . 1 . . . . . . . . 4959 1 176 . 1 1 18 18 VAL N N 15 125.633 0.2 . 1 . . . . . . . . 4959 1 177 . 1 1 18 18 VAL H H 1 8.076 0.03 . 1 . . . . . . . . 4959 1 178 . 1 1 18 18 VAL CA C 13 60.000 0.3 . 1 . . . . . . . . 4959 1 179 . 1 1 18 18 VAL HA H 1 4.010 0.03 . 1 . . . . . . . . 4959 1 180 . 1 1 18 18 VAL CB C 13 30.562 0.3 . 1 . . . . . . . . 4959 1 181 . 1 1 18 18 VAL HB H 1 1.970 0.03 . 1 . . . . . . . . 4959 1 182 . 1 1 18 18 VAL CG1 C 13 18.820 0.3 . 2 . . . . . . . . 4959 1 183 . 1 1 18 18 VAL HG11 H 1 0.796 0.03 . 2 . . . . . . . . 4959 1 184 . 1 1 18 18 VAL HG12 H 1 0.796 0.03 . 2 . . . . . . . . 4959 1 185 . 1 1 18 18 VAL HG13 H 1 0.796 0.03 . 2 . . . . . . . . 4959 1 186 . 1 1 18 18 VAL CG2 C 13 18.458 0.3 . 2 . . . . . . . . 4959 1 187 . 1 1 18 18 VAL HG21 H 1 0.861 0.03 . 2 . . . . . . . . 4959 1 188 . 1 1 18 18 VAL HG22 H 1 0.861 0.03 . 2 . . . . . . . . 4959 1 189 . 1 1 18 18 VAL HG23 H 1 0.861 0.03 . 2 . . . . . . . . 4959 1 190 . 1 1 18 18 VAL C C 13 173.279 0.3 . 1 . . . . . . . . 4959 1 191 . 1 1 19 19 HIS N N 15 124.114 0.2 . 1 . . . . . . . . 4959 1 192 . 1 1 19 19 HIS H H 1 8.284 0.03 . 1 . . . . . . . . 4959 1 193 . 1 1 19 19 HIS CA C 13 52.955 0.3 . 1 . . . . . . . . 4959 1 194 . 1 1 19 19 HIS HA H 1 4.500 0.03 . 1 . . . . . . . . 4959 1 195 . 1 1 19 19 HIS CB C 13 27.518 0.3 . 1 . . . . . . . . 4959 1 196 . 1 1 19 19 HIS HB2 H 1 2.836 0.03 . 1 . . . . . . . . 4959 1 197 . 1 1 19 19 HIS HB3 H 1 2.836 0.03 . 1 . . . . . . . . 4959 1 198 . 1 1 19 19 HIS CD2 C 13 117.692 0.3 . 1 . . . . . . . . 4959 1 199 . 1 1 19 19 HIS HD2 H 1 6.805 0.03 . 1 . . . . . . . . 4959 1 200 . 1 1 19 19 HIS C C 13 174.575 0.3 . 1 . . . . . . . . 4959 1 201 . 1 1 21 21 TYR N N 15 122.519 0.2 . 1 . . . . . . . . 4959 1 202 . 1 1 21 21 TYR H H 1 7.960 0.03 . 1 . . . . . . . . 4959 1 203 . 1 1 21 21 TYR CA C 13 55.086 0.3 . 1 . . . . . . . . 4959 1 204 . 1 1 21 21 TYR HA H 1 4.782 0.03 . 1 . . . . . . . . 4959 1 205 . 1 1 21 21 TYR CB C 13 37.693 0.3 . 1 . . . . . . . . 4959 1 206 . 1 1 21 21 TYR HB2 H 1 3.142 0.03 . 2 . . . . . . . . 4959 1 207 . 1 1 21 21 TYR HB3 H 1 2.636 0.03 . 2 . . . . . . . . 4959 1 208 . 1 1 21 21 TYR CD1 C 13 130.466 0.3 . 1 . . . . . . . . 4959 1 209 . 1 1 21 21 TYR HD1 H 1 7.080 0.03 . 1 . . . . . . . . 4959 1 210 . 1 1 21 21 TYR CD2 C 13 130.466 0.3 . 1 . . . . . . . . 4959 1 211 . 1 1 21 21 TYR HD2 H 1 7.080 0.03 . 1 . . . . . . . . 4959 1 212 . 1 1 21 21 TYR CE1 C 13 115.714 0.3 . 1 . . . . . . . . 4959 1 213 . 1 1 21 21 TYR HE1 H 1 6.688 0.03 . 1 . . . . . . . . 4959 1 214 . 1 1 21 21 TYR CE2 C 13 115.714 0.3 . 1 . . . . . . . . 4959 1 215 . 1 1 21 21 TYR HE2 H 1 6.688 0.03 . 1 . . . . . . . . 4959 1 216 . 1 1 21 21 TYR C C 13 174.053 0.3 . 1 . . . . . . . . 4959 1 217 . 1 1 22 22 SER N N 15 121.470 0.2 . 1 . . . . . . . . 4959 1 218 . 1 1 22 22 SER H H 1 9.593 0.03 . 1 . . . . . . . . 4959 1 219 . 1 1 22 22 SER CA C 13 54.782 0.3 . 1 . . . . . . . . 4959 1 220 . 1 1 22 22 SER HA H 1 4.552 0.03 . 1 . . . . . . . . 4959 1 221 . 1 1 22 22 SER CB C 13 63.174 0.3 . 1 . . . . . . . . 4959 1 222 . 1 1 22 22 SER HB2 H 1 4.417 0.03 . 2 . . . . . . . . 4959 1 223 . 1 1 22 22 SER HB3 H 1 4.039 0.03 . 2 . . . . . . . . 4959 1 224 . 1 1 22 22 SER C C 13 172.272 0.3 . 1 . . . . . . . . 4959 1 225 . 1 1 23 23 GLU N N 15 122.281 0.2 . 1 . . . . . . . . 4959 1 226 . 1 1 23 23 GLU H H 1 8.819 0.03 . 1 . . . . . . . . 4959 1 227 . 1 1 23 23 GLU CA C 13 57.739 0.3 . 1 . . . . . . . . 4959 1 228 . 1 1 23 23 GLU HA H 1 4.021 0.03 . 1 . . . . . . . . 4959 1 229 . 1 1 23 23 GLU CB C 13 27.257 0.3 . 1 . . . . . . . . 4959 1 230 . 1 1 23 23 GLU HB2 H 1 2.016 0.03 . 2 . . . . . . . . 4959 1 231 . 1 1 23 23 GLU HB3 H 1 2.090 0.03 . 2 . . . . . . . . 4959 1 232 . 1 1 23 23 GLU CG C 13 34.384 0.3 . 1 . . . . . . . . 4959 1 233 . 1 1 23 23 GLU HG2 H 1 2.350 0.03 . 2 . . . . . . . . 4959 1 234 . 1 1 23 23 GLU C C 13 176.338 0.3 . 1 . . . . . . . . 4959 1 235 . 1 1 24 24 ALA N N 15 121.433 0.2 . 1 . . . . . . . . 4959 1 236 . 1 1 24 24 ALA H H 1 8.574 0.03 . 1 . . . . . . . . 4959 1 237 . 1 1 24 24 ALA CA C 13 53.347 0.3 . 1 . . . . . . . . 4959 1 238 . 1 1 24 24 ALA HA H 1 3.761 0.03 . 1 . . . . . . . . 4959 1 239 . 1 1 24 24 ALA CB C 13 16.125 0.3 . 1 . . . . . . . . 4959 1 240 . 1 1 24 24 ALA HB1 H 1 1.460 0.03 . 1 . . . . . . . . 4959 1 241 . 1 1 24 24 ALA HB2 H 1 1.460 0.03 . 1 . . . . . . . . 4959 1 242 . 1 1 24 24 ALA HB3 H 1 1.460 0.03 . 1 . . . . . . . . 4959 1 243 . 1 1 24 24 ALA C C 13 176.698 0.3 . 1 . . . . . . . . 4959 1 244 . 1 1 25 25 GLU N N 15 117.551 0.2 . 1 . . . . . . . . 4959 1 245 . 1 1 25 25 GLU H H 1 7.679 0.03 . 1 . . . . . . . . 4959 1 246 . 1 1 25 25 GLU CA C 13 57.913 0.3 . 1 . . . . . . . . 4959 1 247 . 1 1 25 25 GLU HA H 1 3.482 0.03 . 1 . . . . . . . . 4959 1 248 . 1 1 25 25 GLU CB C 13 28.214 0.3 . 1 . . . . . . . . 4959 1 249 . 1 1 25 25 GLU HB2 H 1 1.684 0.03 . 2 . . . . . . . . 4959 1 250 . 1 1 25 25 GLU HB3 H 1 1.704 0.03 . 2 . . . . . . . . 4959 1 251 . 1 1 25 25 GLU HG2 H 1 2.494 0.03 . 2 . . . . . . . . 4959 1 252 . 1 1 25 25 GLU C C 13 176.644 0.3 . 1 . . . . . . . . 4959 1 253 . 1 1 26 26 ILE N N 15 121.601 0.2 . 1 . . . . . . . . 4959 1 254 . 1 1 26 26 ILE H H 1 8.533 0.03 . 1 . . . . . . . . 4959 1 255 . 1 1 26 26 ILE CA C 13 62.783 0.3 . 1 . . . . . . . . 4959 1 256 . 1 1 26 26 ILE HA H 1 3.383 0.03 . 1 . . . . . . . . 4959 1 257 . 1 1 26 26 ILE CB C 13 35.345 0.3 . 1 . . . . . . . . 4959 1 258 . 1 1 26 26 ILE HB H 1 1.961 0.03 . 1 . . . . . . . . 4959 1 259 . 1 1 26 26 ILE CG1 C 13 26.978 0.3 . 1 . . . . . . . . 4959 1 260 . 1 1 26 26 ILE HG12 H 1 1.105 0.03 . 2 . . . . . . . . 4959 1 261 . 1 1 26 26 ILE HG13 H 1 1.652 0.03 . 2 . . . . . . . . 4959 1 262 . 1 1 26 26 ILE CG2 C 13 14.843 0.3 . 1 . . . . . . . . 4959 1 263 . 1 1 26 26 ILE HG21 H 1 0.880 0.03 . 1 . . . . . . . . 4959 1 264 . 1 1 26 26 ILE HG22 H 1 0.880 0.03 . 1 . . . . . . . . 4959 1 265 . 1 1 26 26 ILE HG23 H 1 0.880 0.03 . 1 . . . . . . . . 4959 1 266 . 1 1 26 26 ILE CD1 C 13 10.680 0.3 . 1 . . . . . . . . 4959 1 267 . 1 1 26 26 ILE HD11 H 1 0.806 0.03 . 1 . . . . . . . . 4959 1 268 . 1 1 26 26 ILE HD12 H 1 0.806 0.03 . 1 . . . . . . . . 4959 1 269 . 1 1 26 26 ILE HD13 H 1 0.806 0.03 . 1 . . . . . . . . 4959 1 270 . 1 1 26 26 ILE C C 13 176.572 0.3 . 1 . . . . . . . . 4959 1 271 . 1 1 27 27 LYS N N 15 120.647 0.2 . 1 . . . . . . . . 4959 1 272 . 1 1 27 27 LYS H H 1 7.907 0.03 . 1 . . . . . . . . 4959 1 273 . 1 1 27 27 LYS CA C 13 57.913 0.3 . 1 . . . . . . . . 4959 1 274 . 1 1 27 27 LYS HA H 1 4.071 0.03 . 1 . . . . . . . . 4959 1 275 . 1 1 27 27 LYS CB C 13 30.562 0.3 . 1 . . . . . . . . 4959 1 276 . 1 1 27 27 LYS HB2 H 1 1.868 0.03 . 2 . . . . . . . . 4959 1 277 . 1 1 27 27 LYS C C 13 176.428 0.3 . 1 . . . . . . . . 4959 1 278 . 1 1 28 28 VAL N N 15 119.067 0.2 . 1 . . . . . . . . 4959 1 279 . 1 1 28 28 VAL H H 1 7.888 0.03 . 1 . . . . . . . . 4959 1 280 . 1 1 28 28 VAL CA C 13 64.566 0.3 . 1 . . . . . . . . 4959 1 281 . 1 1 28 28 VAL HA H 1 3.338 0.03 . 1 . . . . . . . . 4959 1 282 . 1 1 28 28 VAL CB C 13 28.822 0.3 . 1 . . . . . . . . 4959 1 283 . 1 1 28 28 VAL HB H 1 1.916 0.03 . 1 . . . . . . . . 4959 1 284 . 1 1 28 28 VAL CG1 C 13 22.945 0.3 . 2 . . . . . . . . 4959 1 285 . 1 1 28 28 VAL HG11 H 1 1.021 0.03 . 2 . . . . . . . . 4959 1 286 . 1 1 28 28 VAL HG12 H 1 1.021 0.03 . 2 . . . . . . . . 4959 1 287 . 1 1 28 28 VAL HG13 H 1 1.021 0.03 . 2 . . . . . . . . 4959 1 288 . 1 1 28 28 VAL CG2 C 13 19.581 0.3 . 2 . . . . . . . . 4959 1 289 . 1 1 28 28 VAL HG21 H 1 0.646 0.03 . 2 . . . . . . . . 4959 1 290 . 1 1 28 28 VAL HG22 H 1 0.646 0.03 . 2 . . . . . . . . 4959 1 291 . 1 1 28 28 VAL HG23 H 1 0.646 0.03 . 2 . . . . . . . . 4959 1 292 . 1 1 28 28 VAL C C 13 176.806 0.3 . 1 . . . . . . . . 4959 1 293 . 1 1 29 29 ARG N N 15 124.105 0.2 . 1 . . . . . . . . 4959 1 294 . 1 1 29 29 ARG H H 1 8.435 0.03 . 1 . . . . . . . . 4959 1 295 . 1 1 29 29 ARG CA C 13 58.347 0.3 . 1 . . . . . . . . 4959 1 296 . 1 1 29 29 ARG HA H 1 3.336 0.03 . 1 . . . . . . . . 4959 1 297 . 1 1 29 29 ARG CB C 13 26.996 0.3 . 1 . . . . . . . . 4959 1 298 . 1 1 29 29 ARG HB2 H 1 1.656 0.03 . 2 . . . . . . . . 4959 1 299 . 1 1 29 29 ARG HB3 H 1 1.790 0.03 . 2 . . . . . . . . 4959 1 300 . 1 1 29 29 ARG HG2 H 1 1.097 0.03 . 2 . . . . . . . . 4959 1 301 . 1 1 29 29 ARG C C 13 176.068 0.3 . 1 . . . . . . . . 4959 1 302 . 1 1 30 30 GLU N N 15 121.136 0.2 . 1 . . . . . . . . 4959 1 303 . 1 1 30 30 GLU H H 1 8.167 0.03 . 1 . . . . . . . . 4959 1 304 . 1 1 30 30 GLU CA C 13 56.956 0.3 . 1 . . . . . . . . 4959 1 305 . 1 1 30 30 GLU HA H 1 4.010 0.03 . 1 . . . . . . . . 4959 1 306 . 1 1 30 30 GLU CB C 13 26.996 0.3 . 1 . . . . . . . . 4959 1 307 . 1 1 30 30 GLU HB2 H 1 2.044 0.03 . 2 . . . . . . . . 4959 1 308 . 1 1 30 30 GLU HB3 H 1 2.159 0.03 . 2 . . . . . . . . 4959 1 309 . 1 1 30 30 GLU HG2 H 1 2.379 0.03 . 2 . . . . . . . . 4959 1 310 . 1 1 30 30 GLU C C 13 177.184 0.3 . 1 . . . . . . . . 4959 1 311 . 1 1 31 31 ALA N N 15 121.073 0.2 . 1 . . . . . . . . 4959 1 312 . 1 1 31 31 ALA H H 1 8.264 0.03 . 1 . . . . . . . . 4959 1 313 . 1 1 31 31 ALA CA C 13 51.520 0.3 . 1 . . . . . . . . 4959 1 314 . 1 1 31 31 ALA HA H 1 4.064 0.03 . 1 . . . . . . . . 4959 1 315 . 1 1 31 31 ALA CB C 13 17.082 0.3 . 1 . . . . . . . . 4959 1 316 . 1 1 31 31 ALA HB1 H 1 1.323 0.03 . 1 . . . . . . . . 4959 1 317 . 1 1 31 31 ALA HB2 H 1 1.323 0.03 . 1 . . . . . . . . 4959 1 318 . 1 1 31 31 ALA HB3 H 1 1.323 0.03 . 1 . . . . . . . . 4959 1 319 . 1 1 31 31 ALA C C 13 173.549 0.3 . 1 . . . . . . . . 4959 1 320 . 1 1 32 32 THR N N 15 103.346 0.2 . 1 . . . . . . . . 4959 1 321 . 1 1 32 32 THR H H 1 7.113 0.03 . 1 . . . . . . . . 4959 1 322 . 1 1 32 32 THR CA C 13 56.869 0.3 . 1 . . . . . . . . 4959 1 323 . 1 1 32 32 THR HA H 1 4.461 0.03 . 1 . . . . . . . . 4959 1 324 . 1 1 32 32 THR CB C 13 66.566 0.3 . 1 . . . . . . . . 4959 1 325 . 1 1 32 32 THR HB H 1 4.516 0.03 . 1 . . . . . . . . 4959 1 326 . 1 1 32 32 THR CG2 C 13 18.601 0.3 . 1 . . . . . . . . 4959 1 327 . 1 1 32 32 THR HG21 H 1 0.788 0.03 . 1 . . . . . . . . 4959 1 328 . 1 1 32 32 THR HG22 H 1 0.788 0.03 . 1 . . . . . . . . 4959 1 329 . 1 1 32 32 THR HG23 H 1 0.788 0.03 . 1 . . . . . . . . 4959 1 330 . 1 1 32 32 THR C C 13 170.295 0.3 . 1 . . . . . . . . 4959 1 331 . 1 1 33 33 SER N N 15 116.271 0.2 . 1 . . . . . . . . 4959 1 332 . 1 1 33 33 SER H H 1 6.672 0.03 . 1 . . . . . . . . 4959 1 333 . 1 1 33 33 SER CA C 13 56.086 0.3 . 1 . . . . . . . . 4959 1 334 . 1 1 33 33 SER HA H 1 4.280 0.03 . 1 . . . . . . . . 4959 1 335 . 1 1 36 36 PRO CA C 13 61.522 0.3 . 1 . . . . . . . . 4959 1 336 . 1 1 36 36 PRO HA H 1 4.069 0.03 . 1 . . . . . . . . 4959 1 337 . 1 1 36 36 PRO CB C 13 28.300 0.3 . 1 . . . . . . . . 4959 1 338 . 1 1 36 36 PRO HB2 H 1 1.807 0.03 . 2 . . . . . . . . 4959 1 339 . 1 1 36 36 PRO HB3 H 1 1.892 0.03 . 2 . . . . . . . . 4959 1 340 . 1 1 36 36 PRO C C 13 173.423 0.3 . 1 . . . . . . . . 4959 1 341 . 1 1 37 37 TRP N N 15 120.012 0.2 . 1 . . . . . . . . 4959 1 342 . 1 1 37 37 TRP H H 1 7.493 0.03 . 1 . . . . . . . . 4959 1 343 . 1 1 37 37 TRP CA C 13 54.250 0.3 . 1 . . . . . . . . 4959 1 344 . 1 1 37 37 TRP HA H 1 4.823 0.03 . 1 . . . . . . . . 4959 1 345 . 1 1 37 37 TRP CB C 13 27.898 0.3 . 1 . . . . . . . . 4959 1 346 . 1 1 37 37 TRP HB2 H 1 3.380 0.03 . 2 . . . . . . . . 4959 1 347 . 1 1 37 37 TRP HB3 H 1 3.158 0.03 . 2 . . . . . . . . 4959 1 348 . 1 1 37 37 TRP CD1 C 13 125.037 0.3 . 1 . . . . . . . . 4959 1 349 . 1 1 37 37 TRP HD1 H 1 7.154 0.03 . 1 . . . . . . . . 4959 1 350 . 1 1 37 37 TRP NE1 N 15 131.486 0.2 . 1 . . . . . . . . 4959 1 351 . 1 1 37 37 TRP HE1 H 1 10.130 0.03 . 1 . . . . . . . . 4959 1 352 . 1 1 37 37 TRP CE3 C 13 117.927 0.3 . 1 . . . . . . . . 4959 1 353 . 1 1 37 37 TRP HE3 H 1 7.562 0.03 . 1 . . . . . . . . 4959 1 354 . 1 1 37 37 TRP CZ2 C 13 112.697 0.3 . 1 . . . . . . . . 4959 1 355 . 1 1 37 37 TRP HZ2 H 1 7.453 0.03 . 1 . . . . . . . . 4959 1 356 . 1 1 37 37 TRP CZ3 C 13 119.828 0.3 . 1 . . . . . . . . 4959 1 357 . 1 1 37 37 TRP HZ3 H 1 7.142 0.03 . 1 . . . . . . . . 4959 1 358 . 1 1 37 37 TRP CH2 C 13 122.366 0.3 . 1 . . . . . . . . 4959 1 359 . 1 1 37 37 TRP HH2 H 1 7.185 0.03 . 1 . . . . . . . . 4959 1 360 . 1 1 37 37 TRP C C 13 173.261 0.3 . 1 . . . . . . . . 4959 1 361 . 1 1 38 38 GLY N N 15 108.243 0.2 . 1 . . . . . . . . 4959 1 362 . 1 1 38 38 GLY H H 1 8.284 0.03 . 1 . . . . . . . . 4959 1 363 . 1 1 38 38 GLY CA C 13 41.966 0.3 . 1 . . . . . . . . 4959 1 364 . 1 1 38 38 GLY HA2 H 1 3.392 0.03 . 2 . . . . . . . . 4959 1 365 . 1 1 38 38 GLY HA3 H 1 4.231 0.03 . 2 . . . . . . . . 4959 1 366 . 1 1 38 38 GLY C C 13 169.573 0.3 . 1 . . . . . . . . 4959 1 367 . 1 1 42 42 SER N N 15 118.665 0.2 . 1 . . . . . . . . 4959 1 368 . 1 1 42 42 SER H H 1 8.171 0.03 . 1 . . . . . . . . 4959 1 369 . 1 1 42 42 SER CA C 13 59.087 0.3 . 1 . . . . . . . . 4959 1 370 . 1 1 42 42 SER HA H 1 4.195 0.03 . 1 . . . . . . . . 4959 1 371 . 1 1 42 42 SER CB C 13 59.870 0.3 . 1 . . . . . . . . 4959 1 372 . 1 1 42 42 SER HB2 H 1 3.865 0.03 . 2 . . . . . . . . 4959 1 373 . 1 1 43 43 LEU N N 15 126.239 0.2 . 1 . . . . . . . . 4959 1 374 . 1 1 43 43 LEU H H 1 7.420 0.03 . 1 . . . . . . . . 4959 1 375 . 1 1 43 43 LEU CA C 13 55.273 0.3 . 1 . . . . . . . . 4959 1 376 . 1 1 43 43 LEU HA H 1 4.259 0.03 . 1 . . . . . . . . 4959 1 377 . 1 1 43 43 LEU CB C 13 39.519 0.3 . 1 . . . . . . . . 4959 1 378 . 1 1 43 43 LEU HB2 H 1 1.860 0.03 . 2 . . . . . . . . 4959 1 379 . 1 1 43 43 LEU HB3 H 1 1.575 0.03 . 2 . . . . . . . . 4959 1 380 . 1 1 43 43 LEU CG C 13 25.047 0.3 . 1 . . . . . . . . 4959 1 381 . 1 1 43 43 LEU HG H 1 1.397 0.03 . 1 . . . . . . . . 4959 1 382 . 1 1 43 43 LEU CD1 C 13 23.641 0.3 . 2 . . . . . . . . 4959 1 383 . 1 1 43 43 LEU HD11 H 1 0.969 0.03 . 2 . . . . . . . . 4959 1 384 . 1 1 43 43 LEU HD12 H 1 0.969 0.03 . 2 . . . . . . . . 4959 1 385 . 1 1 43 43 LEU HD13 H 1 0.969 0.03 . 2 . . . . . . . . 4959 1 386 . 1 1 43 43 LEU CD2 C 13 20.751 0.3 . 2 . . . . . . . . 4959 1 387 . 1 1 43 43 LEU HD21 H 1 0.980 0.03 . 2 . . . . . . . . 4959 1 388 . 1 1 43 43 LEU HD22 H 1 0.980 0.03 . 2 . . . . . . . . 4959 1 389 . 1 1 43 43 LEU HD23 H 1 0.980 0.03 . 2 . . . . . . . . 4959 1 390 . 1 1 43 43 LEU C C 13 176.709 0.3 . 1 . . . . . . . . 4959 1 391 . 1 1 44 44 MET N N 15 117.237 0.2 . 1 . . . . . . . . 4959 1 392 . 1 1 44 44 MET H H 1 7.831 0.03 . 1 . . . . . . . . 4959 1 393 . 1 1 44 44 MET CA C 13 59.174 0.3 . 1 . . . . . . . . 4959 1 394 . 1 1 44 44 MET HA H 1 3.530 0.03 . 1 . . . . . . . . 4959 1 395 . 1 1 44 44 MET CB C 13 29.779 0.3 . 1 . . . . . . . . 4959 1 396 . 1 1 44 44 MET HB2 H 1 1.052 0.03 . 2 . . . . . . . . 4959 1 397 . 1 1 44 44 MET HB3 H 1 1.413 0.03 . 2 . . . . . . . . 4959 1 398 . 1 1 44 44 MET CE C 13 14.259 0.3 . 1 . . . . . . . . 4959 1 399 . 1 1 44 44 MET HE1 H 1 1.596 0.03 . 1 . . . . . . . . 4959 1 400 . 1 1 44 44 MET HE2 H 1 1.596 0.03 . 1 . . . . . . . . 4959 1 401 . 1 1 44 44 MET HE3 H 1 1.596 0.03 . 1 . . . . . . . . 4959 1 402 . 1 1 44 44 MET C C 13 175.312 0.3 . 1 . . . . . . . . 4959 1 403 . 1 1 45 45 SER N N 15 115.377 0.2 . 1 . . . . . . . . 4959 1 404 . 1 1 45 45 SER H H 1 8.077 0.03 . 1 . . . . . . . . 4959 1 405 . 1 1 45 45 SER CA C 13 59.565 0.3 . 1 . . . . . . . . 4959 1 406 . 1 1 45 45 SER HA H 1 4.398 0.03 . 1 . . . . . . . . 4959 1 407 . 1 1 45 45 SER CB C 13 60.826 0.3 . 1 . . . . . . . . 4959 1 408 . 1 1 45 45 SER HB2 H 1 4.090 0.03 . 1 . . . . . . . . 4959 1 409 . 1 1 45 45 SER HB3 H 1 4.090 0.03 . 1 . . . . . . . . 4959 1 410 . 1 1 45 45 SER C C 13 174.413 0.3 . 1 . . . . . . . . 4959 1 411 . 1 1 46 46 GLU N N 15 123.021 0.2 . 1 . . . . . . . . 4959 1 412 . 1 1 46 46 GLU H H 1 7.729 0.03 . 1 . . . . . . . . 4959 1 413 . 1 1 46 46 GLU CA C 13 57.174 0.3 . 1 . . . . . . . . 4959 1 414 . 1 1 46 46 GLU HA H 1 4.130 0.03 . 1 . . . . . . . . 4959 1 415 . 1 1 46 46 GLU CB C 13 27.692 0.3 . 1 . . . . . . . . 4959 1 416 . 1 1 46 46 GLU HB2 H 1 1.979 0.03 . 2 . . . . . . . . 4959 1 417 . 1 1 46 46 GLU HB3 H 1 1.939 0.03 . 2 . . . . . . . . 4959 1 418 . 1 1 46 46 GLU CG C 13 34.021 0.3 . 1 . . . . . . . . 4959 1 419 . 1 1 46 46 GLU HG2 H 1 2.293 0.03 . 2 . . . . . . . . 4959 1 420 . 1 1 46 46 GLU C C 13 172.957 0.3 . 1 . . . . . . . . 4959 1 421 . 1 1 47 47 ILE N N 15 120.636 0.2 . 1 . . . . . . . . 4959 1 422 . 1 1 47 47 ILE H H 1 7.961 0.03 . 1 . . . . . . . . 4959 1 423 . 1 1 47 47 ILE CA C 13 63.432 0.3 . 1 . . . . . . . . 4959 1 424 . 1 1 47 47 ILE HA H 1 3.527 0.03 . 1 . . . . . . . . 4959 1 425 . 1 1 47 47 ILE CB C 13 35.397 0.3 . 1 . . . . . . . . 4959 1 426 . 1 1 47 47 ILE HB H 1 1.917 0.03 . 1 . . . . . . . . 4959 1 427 . 1 1 47 47 ILE CG1 C 13 28.197 0.3 . 1 . . . . . . . . 4959 1 428 . 1 1 47 47 ILE HG12 H 1 1.981 0.03 . 2 . . . . . . . . 4959 1 429 . 1 1 47 47 ILE HG13 H 1 2.032 0.03 . 2 . . . . . . . . 4959 1 430 . 1 1 47 47 ILE CG2 C 13 17.369 0.3 . 1 . . . . . . . . 4959 1 431 . 1 1 47 47 ILE HG21 H 1 0.879 0.03 . 1 . . . . . . . . 4959 1 432 . 1 1 47 47 ILE HG22 H 1 0.879 0.03 . 1 . . . . . . . . 4959 1 433 . 1 1 47 47 ILE HG23 H 1 0.879 0.03 . 1 . . . . . . . . 4959 1 434 . 1 1 47 47 ILE CD1 C 13 12.685 0.3 . 1 . . . . . . . . 4959 1 435 . 1 1 47 47 ILE HD11 H 1 0.611 0.03 . 1 . . . . . . . . 4959 1 436 . 1 1 47 47 ILE HD12 H 1 0.611 0.03 . 1 . . . . . . . . 4959 1 437 . 1 1 47 47 ILE HD13 H 1 0.611 0.03 . 1 . . . . . . . . 4959 1 438 . 1 1 47 47 ILE C C 13 175.215 0.3 . 1 . . . . . . . . 4959 1 439 . 1 1 48 48 ALA N N 15 123.253 0.2 . 1 . . . . . . . . 4959 1 440 . 1 1 48 48 ALA H H 1 8.504 0.03 . 1 . . . . . . . . 4959 1 441 . 1 1 48 48 ALA CA C 13 53.934 0.3 . 1 . . . . . . . . 4959 1 442 . 1 1 48 48 ALA HA H 1 3.979 0.03 . 1 . . . . . . . . 4959 1 443 . 1 1 48 48 ALA CB C 13 15.809 0.3 . 1 . . . . . . . . 4959 1 444 . 1 1 48 48 ALA HB1 H 1 1.617 0.03 . 1 . . . . . . . . 4959 1 445 . 1 1 48 48 ALA HB2 H 1 1.617 0.03 . 1 . . . . . . . . 4959 1 446 . 1 1 48 48 ALA HB3 H 1 1.617 0.03 . 1 . . . . . . . . 4959 1 447 . 1 1 48 48 ALA C C 13 179.127 0.3 . 1 . . . . . . . . 4959 1 448 . 1 1 49 49 ASP N N 15 121.608 0.2 . 1 . . . . . . . . 4959 1 449 . 1 1 49 49 ASP H H 1 8.232 0.03 . 1 . . . . . . . . 4959 1 450 . 1 1 49 49 ASP CA C 13 55.782 0.3 . 1 . . . . . . . . 4959 1 451 . 1 1 49 49 ASP HA H 1 4.707 0.03 . 1 . . . . . . . . 4959 1 452 . 1 1 49 49 ASP CB C 13 38.215 0.3 . 1 . . . . . . . . 4959 1 453 . 1 1 49 49 ASP HB2 H 1 2.758 0.03 . 2 . . . . . . . . 4959 1 454 . 1 1 49 49 ASP HB3 H 1 2.919 0.03 . 2 . . . . . . . . 4959 1 455 . 1 1 49 49 ASP C C 13 177.472 0.3 . 1 . . . . . . . . 4959 1 456 . 1 1 50 50 LEU N N 15 121.408 0.2 . 1 . . . . . . . . 4959 1 457 . 1 1 50 50 LEU H H 1 7.688 0.03 . 1 . . . . . . . . 4959 1 458 . 1 1 50 50 LEU CA C 13 55.008 0.3 . 1 . . . . . . . . 4959 1 459 . 1 1 50 50 LEU HA H 1 4.294 0.03 . 1 . . . . . . . . 4959 1 460 . 1 1 50 50 LEU CB C 13 40.911 0.3 . 1 . . . . . . . . 4959 1 461 . 1 1 50 50 LEU HB2 H 1 1.395 0.03 . 2 . . . . . . . . 4959 1 462 . 1 1 50 50 LEU HB3 H 1 1.427 0.03 . 2 . . . . . . . . 4959 1 463 . 1 1 50 50 LEU CG C 13 24.875 0.3 . 1 . . . . . . . . 4959 1 464 . 1 1 50 50 LEU HG H 1 1.960 0.03 . 1 . . . . . . . . 4959 1 465 . 1 1 50 50 LEU CD1 C 13 22.837 0.3 . 2 . . . . . . . . 4959 1 466 . 1 1 50 50 LEU HD11 H 1 0.811 0.03 . 2 . . . . . . . . 4959 1 467 . 1 1 50 50 LEU HD12 H 1 0.811 0.03 . 2 . . . . . . . . 4959 1 468 . 1 1 50 50 LEU HD13 H 1 0.811 0.03 . 2 . . . . . . . . 4959 1 469 . 1 1 50 50 LEU CD2 C 13 20.276 0.3 . 2 . . . . . . . . 4959 1 470 . 1 1 50 50 LEU HD21 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 471 . 1 1 50 50 LEU HD22 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 472 . 1 1 50 50 LEU HD23 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 473 . 1 1 50 50 LEU C C 13 176.518 0.3 . 1 . . . . . . . . 4959 1 474 . 1 1 51 51 THR N N 15 108.759 0.2 . 1 . . . . . . . . 4959 1 475 . 1 1 51 51 THR H H 1 7.827 0.03 . 1 . . . . . . . . 4959 1 476 . 1 1 51 51 THR CA C 13 63.074 0.3 . 1 . . . . . . . . 4959 1 477 . 1 1 51 51 THR HA H 1 3.995 0.03 . 1 . . . . . . . . 4959 1 478 . 1 1 51 51 THR CB C 13 67.871 0.3 . 1 . . . . . . . . 4959 1 479 . 1 1 51 51 THR HB H 1 4.317 0.03 . 1 . . . . . . . . 4959 1 480 . 1 1 51 51 THR CG2 C 13 21.515 0.3 . 1 . . . . . . . . 4959 1 481 . 1 1 51 51 THR HG21 H 1 1.507 0.03 . 1 . . . . . . . . 4959 1 482 . 1 1 51 51 THR HG22 H 1 1.507 0.03 . 1 . . . . . . . . 4959 1 483 . 1 1 51 51 THR HG23 H 1 1.507 0.03 . 1 . . . . . . . . 4959 1 484 . 1 1 51 51 THR C C 13 171.966 0.3 . 1 . . . . . . . . 4959 1 485 . 1 1 52 52 TYR N N 15 118.522 0.2 . 1 . . . . . . . . 4959 1 486 . 1 1 52 52 TYR H H 1 7.225 0.03 . 1 . . . . . . . . 4959 1 487 . 1 1 52 52 TYR CA C 13 58.033 0.3 . 1 . . . . . . . . 4959 1 488 . 1 1 52 52 TYR HA H 1 4.226 0.03 . 1 . . . . . . . . 4959 1 489 . 1 1 52 52 TYR CB C 13 35.780 0.3 . 1 . . . . . . . . 4959 1 490 . 1 1 52 52 TYR HB2 H 1 3.349 0.03 . 2 . . . . . . . . 4959 1 491 . 1 1 52 52 TYR HB3 H 1 2.888 0.03 . 2 . . . . . . . . 4959 1 492 . 1 1 52 52 TYR CD1 C 13 131.624 0.3 . 1 . . . . . . . . 4959 1 493 . 1 1 52 52 TYR HD1 H 1 7.485 0.03 . 1 . . . . . . . . 4959 1 494 . 1 1 52 52 TYR CD2 C 13 131.624 0.3 . 1 . . . . . . . . 4959 1 495 . 1 1 52 52 TYR HD2 H 1 7.485 0.03 . 1 . . . . . . . . 4959 1 496 . 1 1 52 52 TYR CE1 C 13 115.723 0.3 . 1 . . . . . . . . 4959 1 497 . 1 1 52 52 TYR HE1 H 1 6.899 0.03 . 1 . . . . . . . . 4959 1 498 . 1 1 52 52 TYR CE2 C 13 115.723 0.3 . 1 . . . . . . . . 4959 1 499 . 1 1 52 52 TYR HE2 H 1 6.899 0.03 . 1 . . . . . . . . 4959 1 500 . 1 1 52 52 TYR C C 13 172.696 0.3 . 1 . . . . . . . . 4959 1 501 . 1 1 53 53 ASN N N 15 123.670 0.2 . 1 . . . . . . . . 4959 1 502 . 1 1 53 53 ASN H H 1 7.938 0.03 . 1 . . . . . . . . 4959 1 503 . 1 1 53 53 ASN CA C 13 50.240 0.3 . 1 . . . . . . . . 4959 1 504 . 1 1 53 53 ASN HA H 1 5.011 0.03 . 1 . . . . . . . . 4959 1 505 . 1 1 53 53 ASN CB C 13 38.128 0.3 . 1 . . . . . . . . 4959 1 506 . 1 1 53 53 ASN HB2 H 1 3.294 0.03 . 2 . . . . . . . . 4959 1 507 . 1 1 53 53 ASN HB3 H 1 2.912 0.03 . 2 . . . . . . . . 4959 1 508 . 1 1 53 53 ASN C C 13 172.775 0.3 . 1 . . . . . . . . 4959 1 509 . 1 1 54 54 VAL N N 15 125.659 0.2 . 1 . . . . . . . . 4959 1 510 . 1 1 54 54 VAL H H 1 8.720 0.03 . 1 . . . . . . . . 4959 1 511 . 1 1 54 54 VAL CA C 13 64.162 0.3 . 1 . . . . . . . . 4959 1 512 . 1 1 54 54 VAL HA H 1 3.838 0.03 . 1 . . . . . . . . 4959 1 513 . 1 1 54 54 VAL CB C 13 29.662 0.3 . 1 . . . . . . . . 4959 1 514 . 1 1 54 54 VAL HB H 1 2.194 0.03 . 1 . . . . . . . . 4959 1 515 . 1 1 54 54 VAL CG1 C 13 18.902 0.3 . 2 . . . . . . . . 4959 1 516 . 1 1 54 54 VAL HG11 H 1 1.073 0.03 . 2 . . . . . . . . 4959 1 517 . 1 1 54 54 VAL HG12 H 1 1.073 0.03 . 2 . . . . . . . . 4959 1 518 . 1 1 54 54 VAL HG13 H 1 1.073 0.03 . 2 . . . . . . . . 4959 1 519 . 1 1 54 54 VAL CG2 C 13 18.791 0.3 . 2 . . . . . . . . 4959 1 520 . 1 1 54 54 VAL HG21 H 1 1.058 0.03 . 2 . . . . . . . . 4959 1 521 . 1 1 54 54 VAL HG22 H 1 1.058 0.03 . 2 . . . . . . . . 4959 1 522 . 1 1 54 54 VAL HG23 H 1 1.058 0.03 . 2 . . . . . . . . 4959 1 523 . 1 1 54 54 VAL C C 13 175.312 0.3 . 1 . . . . . . . . 4959 1 524 . 1 1 55 55 VAL N N 15 123.550 0.2 . 1 . . . . . . . . 4959 1 525 . 1 1 55 55 VAL H H 1 7.728 0.03 . 1 . . . . . . . . 4959 1 526 . 1 1 55 55 VAL CA C 13 63.790 0.3 . 1 . . . . . . . . 4959 1 527 . 1 1 55 55 VAL HA H 1 3.853 0.03 . 1 . . . . . . . . 4959 1 528 . 1 1 55 55 VAL CB C 13 29.692 0.3 . 1 . . . . . . . . 4959 1 529 . 1 1 55 55 VAL HB H 1 2.169 0.03 . 1 . . . . . . . . 4959 1 530 . 1 1 55 55 VAL CG1 C 13 18.737 0.3 . 2 . . . . . . . . 4959 1 531 . 1 1 55 55 VAL HG11 H 1 0.948 0.03 . 2 . . . . . . . . 4959 1 532 . 1 1 55 55 VAL HG12 H 1 0.948 0.03 . 2 . . . . . . . . 4959 1 533 . 1 1 55 55 VAL HG13 H 1 0.948 0.03 . 2 . . . . . . . . 4959 1 534 . 1 1 55 55 VAL CG2 C 13 20.276 0.3 . 2 . . . . . . . . 4959 1 535 . 1 1 55 55 VAL HG21 H 1 1.066 0.03 . 2 . . . . . . . . 4959 1 536 . 1 1 55 55 VAL HG22 H 1 1.066 0.03 . 2 . . . . . . . . 4959 1 537 . 1 1 55 55 VAL HG23 H 1 1.066 0.03 . 2 . . . . . . . . 4959 1 538 . 1 1 55 55 VAL C C 13 176.176 0.3 . 1 . . . . . . . . 4959 1 539 . 1 1 56 56 ALA N N 15 124.245 0.2 . 1 . . . . . . . . 4959 1 540 . 1 1 56 56 ALA H H 1 8.050 0.03 . 1 . . . . . . . . 4959 1 541 . 1 1 56 56 ALA CA C 13 52.438 0.3 . 1 . . . . . . . . 4959 1 542 . 1 1 56 56 ALA HA H 1 4.084 0.03 . 1 . . . . . . . . 4959 1 543 . 1 1 56 56 ALA CB C 13 16.175 0.3 . 1 . . . . . . . . 4959 1 544 . 1 1 56 56 ALA HB1 H 1 1.564 0.03 . 1 . . . . . . . . 4959 1 545 . 1 1 56 56 ALA HB2 H 1 1.564 0.03 . 1 . . . . . . . . 4959 1 546 . 1 1 56 56 ALA HB3 H 1 1.564 0.03 . 1 . . . . . . . . 4959 1 547 . 1 1 56 56 ALA C C 13 177.256 0.3 . 1 . . . . . . . . 4959 1 548 . 1 1 57 57 PHE N N 15 118.336 0.2 . 1 . . . . . . . . 4959 1 549 . 1 1 57 57 PHE H H 1 9.168 0.03 . 1 . . . . . . . . 4959 1 550 . 1 1 57 57 PHE CA C 13 60.505 0.3 . 1 . . . . . . . . 4959 1 551 . 1 1 57 57 PHE HA H 1 3.735 0.03 . 1 . . . . . . . . 4959 1 552 . 1 1 57 57 PHE CB C 13 36.472 0.3 . 1 . . . . . . . . 4959 1 553 . 1 1 57 57 PHE HB2 H 1 3.561 0.03 . 2 . . . . . . . . 4959 1 554 . 1 1 57 57 PHE HB3 H 1 3.044 0.03 . 2 . . . . . . . . 4959 1 555 . 1 1 57 57 PHE CD1 C 13 128.958 0.3 . 1 . . . . . . . . 4959 1 556 . 1 1 57 57 PHE HD1 H 1 7.158 0.03 . 1 . . . . . . . . 4959 1 557 . 1 1 57 57 PHE CD2 C 13 128.958 0.3 . 1 . . . . . . . . 4959 1 558 . 1 1 57 57 PHE HD2 H 1 7.158 0.03 . 1 . . . . . . . . 4959 1 559 . 1 1 57 57 PHE CE1 C 13 128.999 0.3 . 1 . . . . . . . . 4959 1 560 . 1 1 57 57 PHE HE1 H 1 7.146 0.03 . 1 . . . . . . . . 4959 1 561 . 1 1 57 57 PHE CE2 C 13 128.999 0.3 . 1 . . . . . . . . 4959 1 562 . 1 1 57 57 PHE HE2 H 1 7.146 0.03 . 1 . . . . . . . . 4959 1 563 . 1 1 57 57 PHE C C 13 173.981 0.3 . 1 . . . . . . . . 4959 1 564 . 1 1 58 58 SER N N 15 114.303 0.2 . 1 . . . . . . . . 4959 1 565 . 1 1 58 58 SER H H 1 7.392 0.03 . 1 . . . . . . . . 4959 1 566 . 1 1 58 58 SER CA C 13 59.431 0.3 . 1 . . . . . . . . 4959 1 567 . 1 1 58 58 SER HA H 1 3.984 0.03 . 1 . . . . . . . . 4959 1 568 . 1 1 58 58 SER CB C 13 60.826 0.3 . 1 . . . . . . . . 4959 1 569 . 1 1 58 58 SER HB2 H 1 4.108 0.03 . 1 . . . . . . . . 4959 1 570 . 1 1 58 58 SER HB3 H 1 4.108 0.03 . 1 . . . . . . . . 4959 1 571 . 1 1 58 58 SER C C 13 174.952 0.3 . 1 . . . . . . . . 4959 1 572 . 1 1 59 59 GLU N N 15 123.933 0.2 . 1 . . . . . . . . 4959 1 573 . 1 1 59 59 GLU H H 1 7.444 0.03 . 1 . . . . . . . . 4959 1 574 . 1 1 59 59 GLU CA C 13 56.601 0.3 . 1 . . . . . . . . 4959 1 575 . 1 1 59 59 GLU HA H 1 4.060 0.03 . 1 . . . . . . . . 4959 1 576 . 1 1 59 59 GLU CB C 13 27.928 0.3 . 1 . . . . . . . . 4959 1 577 . 1 1 59 59 GLU HB2 H 1 2.259 0.03 . 2 . . . . . . . . 4959 1 578 . 1 1 59 59 GLU HB3 H 1 2.508 0.03 . 2 . . . . . . . . 4959 1 579 . 1 1 59 59 GLU CG C 13 33.750 0.3 . 1 . . . . . . . . 4959 1 580 . 1 1 59 59 GLU HG2 H 1 2.537 0.03 . 2 . . . . . . . . 4959 1 581 . 1 1 59 59 GLU HG3 H 1 2.218 0.03 . 2 . . . . . . . . 4959 1 582 . 1 1 59 59 GLU C C 13 177.375 0.3 . 1 . . . . . . . . 4959 1 583 . 1 1 60 60 ILE N N 15 121.864 0.2 . 1 . . . . . . . . 4959 1 584 . 1 1 60 60 ILE H H 1 8.745 0.03 . 1 . . . . . . . . 4959 1 585 . 1 1 60 60 ILE CA C 13 62.814 0.3 . 1 . . . . . . . . 4959 1 586 . 1 1 60 60 ILE HA H 1 3.284 0.03 . 1 . . . . . . . . 4959 1 587 . 1 1 60 60 ILE CB C 13 36.320 0.3 . 1 . . . . . . . . 4959 1 588 . 1 1 60 60 ILE HB H 1 1.635 0.03 . 1 . . . . . . . . 4959 1 589 . 1 1 60 60 ILE CG1 C 13 26.925 0.3 . 1 . . . . . . . . 4959 1 590 . 1 1 60 60 ILE HG12 H 1 1.674 0.03 . 2 . . . . . . . . 4959 1 591 . 1 1 60 60 ILE HG13 H 1 1.703 0.03 . 2 . . . . . . . . 4959 1 592 . 1 1 60 60 ILE CG2 C 13 13.606 0.3 . 1 . . . . . . . . 4959 1 593 . 1 1 60 60 ILE HG21 H 1 0.482 0.03 . 1 . . . . . . . . 4959 1 594 . 1 1 60 60 ILE HG22 H 1 0.482 0.03 . 1 . . . . . . . . 4959 1 595 . 1 1 60 60 ILE HG23 H 1 0.482 0.03 . 1 . . . . . . . . 4959 1 596 . 1 1 60 60 ILE CD1 C 13 13.108 0.3 . 1 . . . . . . . . 4959 1 597 . 1 1 60 60 ILE HD11 H 1 0.696 0.03 . 1 . . . . . . . . 4959 1 598 . 1 1 60 60 ILE HD12 H 1 0.696 0.03 . 1 . . . . . . . . 4959 1 599 . 1 1 60 60 ILE HD13 H 1 0.696 0.03 . 1 . . . . . . . . 4959 1 600 . 1 1 60 60 ILE C C 13 175.024 0.3 . 1 . . . . . . . . 4959 1 601 . 1 1 61 61 MET N N 15 116.278 0.2 . 1 . . . . . . . . 4959 1 602 . 1 1 61 61 MET H H 1 7.952 0.03 . 1 . . . . . . . . 4959 1 603 . 1 1 61 61 MET CA C 13 53.576 0.3 . 1 . . . . . . . . 4959 1 604 . 1 1 61 61 MET HA H 1 3.928 0.03 . 1 . . . . . . . . 4959 1 605 . 1 1 61 61 MET CB C 13 25.952 0.3 . 1 . . . . . . . . 4959 1 606 . 1 1 61 61 MET HB2 H 1 1.925 0.03 . 2 . . . . . . . . 4959 1 607 . 1 1 61 61 MET HB3 H 1 1.617 0.03 . 2 . . . . . . . . 4959 1 608 . 1 1 61 61 MET CG C 13 28.680 0.3 . 1 . . . . . . . . 4959 1 609 . 1 1 61 61 MET HG2 H 1 1.948 0.03 . 2 . . . . . . . . 4959 1 610 . 1 1 61 61 MET HG3 H 1 1.988 0.03 . 2 . . . . . . . . 4959 1 611 . 1 1 61 61 MET CE C 13 12.875 0.3 . 1 . . . . . . . . 4959 1 612 . 1 1 61 61 MET HE1 H 1 1.627 0.03 . 1 . . . . . . . . 4959 1 613 . 1 1 61 61 MET HE2 H 1 1.627 0.03 . 1 . . . . . . . . 4959 1 614 . 1 1 61 61 MET HE3 H 1 1.627 0.03 . 1 . . . . . . . . 4959 1 615 . 1 1 61 61 MET C C 13 175.690 0.3 . 1 . . . . . . . . 4959 1 616 . 1 1 62 62 SER N N 15 113.072 0.2 . 1 . . . . . . . . 4959 1 617 . 1 1 62 62 SER H H 1 7.780 0.03 . 1 . . . . . . . . 4959 1 618 . 1 1 62 62 SER CA C 13 59.789 0.3 . 1 . . . . . . . . 4959 1 619 . 1 1 62 62 SER HA H 1 4.315 0.03 . 1 . . . . . . . . 4959 1 620 . 1 1 62 62 SER CB C 13 60.652 0.3 . 1 . . . . . . . . 4959 1 621 . 1 1 62 62 SER HB2 H 1 3.947 0.03 . 1 . . . . . . . . 4959 1 622 . 1 1 62 62 SER HB3 H 1 3.947 0.03 . 1 . . . . . . . . 4959 1 623 . 1 1 62 62 SER C C 13 175.168 0.3 . 1 . . . . . . . . 4959 1 624 . 1 1 63 63 MET N N 15 120.620 0.2 . 1 . . . . . . . . 4959 1 625 . 1 1 63 63 MET H H 1 7.482 0.03 . 1 . . . . . . . . 4959 1 626 . 1 1 63 63 MET CA C 13 54.260 0.3 . 1 . . . . . . . . 4959 1 627 . 1 1 63 63 MET HA H 1 4.518 0.03 . 1 . . . . . . . . 4959 1 628 . 1 1 63 63 MET CB C 13 28.996 0.3 . 1 . . . . . . . . 4959 1 629 . 1 1 63 63 MET HB2 H 1 1.905 0.03 . 2 . . . . . . . . 4959 1 630 . 1 1 63 63 MET HB3 H 1 2.164 0.03 . 2 . . . . . . . . 4959 1 631 . 1 1 63 63 MET CG C 13 30.952 0.3 . 1 . . . . . . . . 4959 1 632 . 1 1 63 63 MET HG2 H 1 2.398 0.03 . 2 . . . . . . . . 4959 1 633 . 1 1 63 63 MET CE C 13 14.779 0.3 . 1 . . . . . . . . 4959 1 634 . 1 1 63 63 MET HE1 H 1 1.898 0.03 . 1 . . . . . . . . 4959 1 635 . 1 1 63 63 MET HE2 H 1 1.898 0.03 . 1 . . . . . . . . 4959 1 636 . 1 1 63 63 MET HE3 H 1 1.898 0.03 . 1 . . . . . . . . 4959 1 637 . 1 1 63 63 MET C C 13 175.600 0.3 . 1 . . . . . . . . 4959 1 638 . 1 1 64 64 ILE N N 15 122.519 0.2 . 1 . . . . . . . . 4959 1 639 . 1 1 64 64 ILE H H 1 8.025 0.03 . 1 . . . . . . . . 4959 1 640 . 1 1 64 64 ILE CA C 13 64.870 0.3 . 1 . . . . . . . . 4959 1 641 . 1 1 64 64 ILE HA H 1 3.161 0.03 . 1 . . . . . . . . 4959 1 642 . 1 1 64 64 ILE CB C 13 34.736 0.3 . 1 . . . . . . . . 4959 1 643 . 1 1 64 64 ILE HB H 1 1.474 0.03 . 1 . . . . . . . . 4959 1 644 . 1 1 64 64 ILE CG1 C 13 28.543 0.3 . 1 . . . . . . . . 4959 1 645 . 1 1 64 64 ILE HG12 H 1 0.431 0.03 . 2 . . . . . . . . 4959 1 646 . 1 1 64 64 ILE HG13 H 1 1.761 0.03 . 2 . . . . . . . . 4959 1 647 . 1 1 64 64 ILE CG2 C 13 14.487 0.3 . 1 . . . . . . . . 4959 1 648 . 1 1 64 64 ILE HG21 H 1 0.201 0.03 . 1 . . . . . . . . 4959 1 649 . 1 1 64 64 ILE HG22 H 1 0.201 0.03 . 1 . . . . . . . . 4959 1 650 . 1 1 64 64 ILE HG23 H 1 0.201 0.03 . 1 . . . . . . . . 4959 1 651 . 1 1 64 64 ILE CD1 C 13 11.647 0.3 . 1 . . . . . . . . 4959 1 652 . 1 1 64 64 ILE HD11 H 1 0.442 0.03 . 1 . . . . . . . . 4959 1 653 . 1 1 64 64 ILE HD12 H 1 0.442 0.03 . 1 . . . . . . . . 4959 1 654 . 1 1 64 64 ILE HD13 H 1 0.442 0.03 . 1 . . . . . . . . 4959 1 655 . 1 1 64 64 ILE C C 13 179.127 0.3 . 1 . . . . . . . . 4959 1 656 . 1 1 65 65 TRP N N 15 118.637 0.2 . 1 . . . . . . . . 4959 1 657 . 1 1 65 65 TRP H H 1 8.215 0.03 . 1 . . . . . . . . 4959 1 658 . 1 1 65 65 TRP CA C 13 57.652 0.3 . 1 . . . . . . . . 4959 1 659 . 1 1 65 65 TRP HA H 1 4.567 0.03 . 1 . . . . . . . . 4959 1 660 . 1 1 65 65 TRP CB C 13 27.170 0.3 . 1 . . . . . . . . 4959 1 661 . 1 1 65 65 TRP HB2 H 1 3.335 0.03 . 2 . . . . . . . . 4959 1 662 . 1 1 65 65 TRP HB3 H 1 3.177 0.03 . 2 . . . . . . . . 4959 1 663 . 1 1 65 65 TRP CD1 C 13 128.268 0.3 . 1 . . . . . . . . 4959 1 664 . 1 1 65 65 TRP HD1 H 1 7.108 0.03 . 1 . . . . . . . . 4959 1 665 . 1 1 65 65 TRP NE1 N 15 129.586 0.2 . 1 . . . . . . . . 4959 1 666 . 1 1 65 65 TRP HE1 H 1 10.345 0.03 . 1 . . . . . . . . 4959 1 667 . 1 1 65 65 TRP CE3 C 13 119.373 0.3 . 1 . . . . . . . . 4959 1 668 . 1 1 65 65 TRP HE3 H 1 7.621 0.03 . 1 . . . . . . . . 4959 1 669 . 1 1 65 65 TRP CZ2 C 13 111.347 0.3 . 1 . . . . . . . . 4959 1 670 . 1 1 65 65 TRP HZ2 H 1 7.138 0.03 . 1 . . . . . . . . 4959 1 671 . 1 1 65 65 TRP CZ3 C 13 119.294 0.3 . 1 . . . . . . . . 4959 1 672 . 1 1 65 65 TRP HZ3 H 1 6.706 0.03 . 1 . . . . . . . . 4959 1 673 . 1 1 65 65 TRP CH2 C 13 121.776 0.3 . 1 . . . . . . . . 4959 1 674 . 1 1 65 65 TRP HH2 H 1 7.001 0.03 . 1 . . . . . . . . 4959 1 675 . 1 1 65 65 TRP C C 13 177.274 0.3 . 1 . . . . . . . . 4959 1 676 . 1 1 66 66 LYS N N 15 119.586 0.2 . 1 . . . . . . . . 4959 1 677 . 1 1 66 66 LYS H H 1 7.688 0.03 . 1 . . . . . . . . 4959 1 678 . 1 1 66 66 LYS CA C 13 57.739 0.3 . 1 . . . . . . . . 4959 1 679 . 1 1 66 66 LYS HA H 1 4.115 0.03 . 1 . . . . . . . . 4959 1 680 . 1 1 66 66 LYS CB C 13 30.127 0.3 . 1 . . . . . . . . 4959 1 681 . 1 1 66 66 LYS HB2 H 1 1.977 0.03 . 1 . . . . . . . . 4959 1 682 . 1 1 66 66 LYS HB3 H 1 1.977 0.03 . 1 . . . . . . . . 4959 1 683 . 1 1 66 66 LYS CG C 13 23.266 0.3 . 1 . . . . . . . . 4959 1 684 . 1 1 66 66 LYS HG2 H 1 1.464 0.03 . 2 . . . . . . . . 4959 1 685 . 1 1 66 66 LYS HG3 H 1 1.635 0.03 . 2 . . . . . . . . 4959 1 686 . 1 1 66 66 LYS CD C 13 27.327 0.3 . 1 . . . . . . . . 4959 1 687 . 1 1 66 66 LYS HD2 H 1 1.724 0.03 . 2 . . . . . . . . 4959 1 688 . 1 1 66 66 LYS HD3 H 1 1.674 0.03 . 2 . . . . . . . . 4959 1 689 . 1 1 66 66 LYS CE C 13 39.904 0.3 . 1 . . . . . . . . 4959 1 690 . 1 1 66 66 LYS HE2 H 1 2.992 0.03 . 2 . . . . . . . . 4959 1 691 . 1 1 66 66 LYS C C 13 178.155 0.3 . 1 . . . . . . . . 4959 1 692 . 1 1 67 67 ARG N N 15 121.739 0.2 . 1 . . . . . . . . 4959 1 693 . 1 1 67 67 ARG H H 1 8.047 0.03 . 1 . . . . . . . . 4959 1 694 . 1 1 67 67 ARG CA C 13 55.651 0.3 . 1 . . . . . . . . 4959 1 695 . 1 1 67 67 ARG HA H 1 3.958 0.03 . 1 . . . . . . . . 4959 1 696 . 1 1 67 67 ARG CB C 13 28.214 0.3 . 1 . . . . . . . . 4959 1 697 . 1 1 67 67 ARG HB2 H 1 1.628 0.03 . 2 . . . . . . . . 4959 1 698 . 1 1 67 67 ARG CG C 13 25.355 0.3 . 1 . . . . . . . . 4959 1 699 . 1 1 67 67 ARG HG2 H 1 1.431 0.03 . 2 . . . . . . . . 4959 1 700 . 1 1 67 67 ARG C C 13 175.330 0.3 . 1 . . . . . . . . 4959 1 701 . 1 1 68 68 LEU N N 15 116.825 0.2 . 1 . . . . . . . . 4959 1 702 . 1 1 68 68 LEU H H 1 7.932 0.03 . 1 . . . . . . . . 4959 1 703 . 1 1 68 68 LEU CA C 13 54.564 0.3 . 1 . . . . . . . . 4959 1 704 . 1 1 68 68 LEU HA H 1 4.071 0.03 . 1 . . . . . . . . 4959 1 705 . 1 1 68 68 LEU CB C 13 39.898 0.3 . 1 . . . . . . . . 4959 1 706 . 1 1 68 68 LEU HB2 H 1 1.797 0.03 . 2 . . . . . . . . 4959 1 707 . 1 1 68 68 LEU HB3 H 1 1.834 0.03 . 2 . . . . . . . . 4959 1 708 . 1 1 68 68 LEU CG C 13 24.385 0.3 . 1 . . . . . . . . 4959 1 709 . 1 1 68 68 LEU HG H 1 1.907 0.03 . 1 . . . . . . . . 4959 1 710 . 1 1 68 68 LEU CD1 C 13 24.192 0.3 . 2 . . . . . . . . 4959 1 711 . 1 1 68 68 LEU HD11 H 1 0.683 0.03 . 2 . . . . . . . . 4959 1 712 . 1 1 68 68 LEU HD12 H 1 0.683 0.03 . 2 . . . . . . . . 4959 1 713 . 1 1 68 68 LEU HD13 H 1 0.683 0.03 . 2 . . . . . . . . 4959 1 714 . 1 1 68 68 LEU CD2 C 13 23.615 0.3 . 2 . . . . . . . . 4959 1 715 . 1 1 68 68 LEU HD21 H 1 0.835 0.03 . 2 . . . . . . . . 4959 1 716 . 1 1 68 68 LEU HD22 H 1 0.835 0.03 . 2 . . . . . . . . 4959 1 717 . 1 1 68 68 LEU HD23 H 1 0.835 0.03 . 2 . . . . . . . . 4959 1 718 . 1 1 68 68 LEU C C 13 174.179 0.3 . 1 . . . . . . . . 4959 1 719 . 1 1 69 69 ASN N N 15 116.271 0.2 . 1 . . . . . . . . 4959 1 720 . 1 1 69 69 ASN H H 1 7.367 0.03 . 1 . . . . . . . . 4959 1 721 . 1 1 69 69 ASN CA C 13 50.433 0.3 . 1 . . . . . . . . 4959 1 722 . 1 1 69 69 ASN HA H 1 5.008 0.03 . 1 . . . . . . . . 4959 1 723 . 1 1 69 69 ASN CB C 13 37.556 0.3 . 1 . . . . . . . . 4959 1 724 . 1 1 69 69 ASN HB2 H 1 3.071 0.03 . 2 . . . . . . . . 4959 1 725 . 1 1 69 69 ASN HB3 H 1 2.795 0.03 . 2 . . . . . . . . 4959 1 726 . 1 1 69 69 ASN C C 13 172.685 0.3 . 1 . . . . . . . . 4959 1 727 . 1 1 70 70 ASP N N 15 121.921 0.2 . 1 . . . . . . . . 4959 1 728 . 1 1 70 70 ASP H H 1 7.178 0.03 . 1 . . . . . . . . 4959 1 729 . 1 1 70 70 ASP CA C 13 52.042 0.3 . 1 . . . . . . . . 4959 1 730 . 1 1 70 70 ASP HA H 1 4.860 0.03 . 1 . . . . . . . . 4959 1 731 . 1 1 70 70 ASP CB C 13 40.288 0.3 . 1 . . . . . . . . 4959 1 732 . 1 1 70 70 ASP HB2 H 1 2.912 0.03 . 2 . . . . . . . . 4959 1 733 . 1 1 70 70 ASP HB3 H 1 2.699 0.03 . 2 . . . . . . . . 4959 1 734 . 1 1 70 70 ASP C C 13 172.056 0.3 . 1 . . . . . . . . 4959 1 735 . 1 1 71 71 HIS N N 15 113.733 0.2 . 1 . . . . . . . . 4959 1 736 . 1 1 71 71 HIS H H 1 8.755 0.03 . 1 . . . . . . . . 4959 1 737 . 1 1 71 71 HIS CA C 13 52.825 0.3 . 1 . . . . . . . . 4959 1 738 . 1 1 71 71 HIS HA H 1 5.102 0.03 . 1 . . . . . . . . 4959 1 739 . 1 1 71 71 HIS CB C 13 30.465 0.3 . 1 . . . . . . . . 4959 1 740 . 1 1 71 71 HIS HB2 H 1 3.154 0.03 . 2 . . . . . . . . 4959 1 741 . 1 1 71 71 HIS HB3 H 1 3.373 0.03 . 2 . . . . . . . . 4959 1 742 . 1 1 71 71 HIS CD2 C 13 118.022 0.3 . 1 . . . . . . . . 4959 1 743 . 1 1 71 71 HIS HD2 H 1 7.265 0.03 . 1 . . . . . . . . 4959 1 744 . 1 1 71 71 HIS C C 13 173.405 0.3 . 1 . . . . . . . . 4959 1 745 . 1 1 72 72 GLY N N 15 110.926 0.2 . 1 . . . . . . . . 4959 1 746 . 1 1 72 72 GLY H H 1 8.843 0.03 . 1 . . . . . . . . 4959 1 747 . 1 1 72 72 GLY CA C 13 45.041 0.3 . 1 . . . . . . . . 4959 1 748 . 1 1 72 72 GLY HA2 H 1 3.841 0.03 . 2 . . . . . . . . 4959 1 749 . 1 1 72 72 GLY HA3 H 1 3.498 0.03 . 2 . . . . . . . . 4959 1 750 . 1 1 72 72 GLY C C 13 171.588 0.3 . 1 . . . . . . . . 4959 1 751 . 1 1 73 73 LYS N N 15 124.994 0.2 . 1 . . . . . . . . 4959 1 752 . 1 1 73 73 LYS H H 1 8.578 0.03 . 1 . . . . . . . . 4959 1 753 . 1 1 73 73 LYS CA C 13 55.999 0.3 . 1 . . . . . . . . 4959 1 754 . 1 1 73 73 LYS HA H 1 3.825 0.03 . 1 . . . . . . . . 4959 1 755 . 1 1 73 73 LYS CB C 13 29.619 0.3 . 1 . . . . . . . . 4959 1 756 . 1 1 73 73 LYS HB2 H 1 1.929 0.03 . 1 . . . . . . . . 4959 1 757 . 1 1 73 73 LYS HB3 H 1 1.929 0.03 . 1 . . . . . . . . 4959 1 758 . 1 1 73 73 LYS CG C 13 21.696 0.3 . 1 . . . . . . . . 4959 1 759 . 1 1 73 73 LYS HG2 H 1 1.563 0.03 . 2 . . . . . . . . 4959 1 760 . 1 1 73 73 LYS HG3 H 1 1.308 0.03 . 2 . . . . . . . . 4959 1 761 . 1 1 73 73 LYS CD C 13 27.348 0.3 . 1 . . . . . . . . 4959 1 762 . 1 1 73 73 LYS HD2 H 1 1.746 0.03 . 2 . . . . . . . . 4959 1 763 . 1 1 73 73 LYS HD3 H 1 1.776 0.03 . 2 . . . . . . . . 4959 1 764 . 1 1 73 73 LYS CE C 13 39.881 0.3 . 1 . . . . . . . . 4959 1 765 . 1 1 73 73 LYS HE2 H 1 3.068 0.03 . 1 . . . . . . . . 4959 1 766 . 1 1 73 73 LYS HE3 H 1 3.068 0.03 . 1 . . . . . . . . 4959 1 767 . 1 1 73 73 LYS C C 13 174.701 0.3 . 1 . . . . . . . . 4959 1 768 . 1 1 74 74 ASN N N 15 120.080 0.2 . 1 . . . . . . . . 4959 1 769 . 1 1 74 74 ASN H H 1 7.791 0.03 . 1 . . . . . . . . 4959 1 770 . 1 1 74 74 ASN CA C 13 50.694 0.3 . 1 . . . . . . . . 4959 1 771 . 1 1 74 74 ASN HA H 1 4.770 0.03 . 1 . . . . . . . . 4959 1 772 . 1 1 74 74 ASN CB C 13 35.669 0.3 . 1 . . . . . . . . 4959 1 773 . 1 1 74 74 ASN HB2 H 1 2.810 0.03 . 2 . . . . . . . . 4959 1 774 . 1 1 74 74 ASN HB3 H 1 2.735 0.03 . 2 . . . . . . . . 4959 1 775 . 1 1 74 74 ASN C C 13 173.585 0.3 . 1 . . . . . . . . 4959 1 776 . 1 1 75 75 TRP N N 15 121.969 0.2 . 1 . . . . . . . . 4959 1 777 . 1 1 75 75 TRP H H 1 7.907 0.03 . 1 . . . . . . . . 4959 1 778 . 1 1 75 75 TRP CA C 13 58.130 0.3 . 1 . . . . . . . . 4959 1 779 . 1 1 75 75 TRP HA H 1 3.979 0.03 . 1 . . . . . . . . 4959 1 780 . 1 1 75 75 TRP CB C 13 25.518 0.3 . 1 . . . . . . . . 4959 1 781 . 1 1 75 75 TRP HB2 H 1 3.237 0.03 . 2 . . . . . . . . 4959 1 782 . 1 1 75 75 TRP HB3 H 1 3.610 0.03 . 2 . . . . . . . . 4959 1 783 . 1 1 75 75 TRP CD1 C 13 125.464 0.3 . 1 . . . . . . . . 4959 1 784 . 1 1 75 75 TRP HD1 H 1 7.134 0.03 . 1 . . . . . . . . 4959 1 785 . 1 1 75 75 TRP NE1 N 15 131.114 0.2 . 1 . . . . . . . . 4959 1 786 . 1 1 75 75 TRP HE1 H 1 10.554 0.03 . 1 . . . . . . . . 4959 1 787 . 1 1 75 75 TRP CE3 C 13 119.425 0.3 . 1 . . . . . . . . 4959 1 788 . 1 1 75 75 TRP HE3 H 1 7.191 0.03 . 1 . . . . . . . . 4959 1 789 . 1 1 75 75 TRP CZ2 C 13 112.550 0.3 . 1 . . . . . . . . 4959 1 790 . 1 1 75 75 TRP HZ2 H 1 7.327 0.03 . 1 . . . . . . . . 4959 1 791 . 1 1 75 75 TRP CZ3 C 13 118.455 0.3 . 1 . . . . . . . . 4959 1 792 . 1 1 75 75 TRP HZ3 H 1 6.366 0.03 . 1 . . . . . . . . 4959 1 793 . 1 1 75 75 TRP CH2 C 13 122.549 0.3 . 1 . . . . . . . . 4959 1 794 . 1 1 75 75 TRP HH2 H 1 6.912 0.03 . 1 . . . . . . . . 4959 1 795 . 1 1 75 75 TRP C C 13 174.629 0.3 . 1 . . . . . . . . 4959 1 796 . 1 1 76 76 ARG N N 15 124.567 0.2 . 1 . . . . . . . . 4959 1 797 . 1 1 76 76 ARG H H 1 7.833 0.03 . 1 . . . . . . . . 4959 1 798 . 1 1 76 76 ARG CA C 13 58.358 0.3 . 1 . . . . . . . . 4959 1 799 . 1 1 76 76 ARG HA H 1 3.139 0.03 . 1 . . . . . . . . 4959 1 800 . 1 1 76 76 ARG CB C 13 26.996 0.3 . 1 . . . . . . . . 4959 1 801 . 1 1 76 76 ARG HB2 H 1 1.072 0.03 . 2 . . . . . . . . 4959 1 802 . 1 1 76 76 ARG CG C 13 25.449 0.3 . 1 . . . . . . . . 4959 1 803 . 1 1 76 76 ARG HG2 H 1 0.190 0.03 . 1 . . . . . . . . 4959 1 804 . 1 1 76 76 ARG HG3 H 1 0.190 0.03 . 1 . . . . . . . . 4959 1 805 . 1 1 76 76 ARG CD C 13 40.936 0.3 . 1 . . . . . . . . 4959 1 806 . 1 1 76 76 ARG HD2 H 1 2.570 0.03 . 2 . . . . . . . . 4959 1 807 . 1 1 76 76 ARG C C 13 176.410 0.3 . 1 . . . . . . . . 4959 1 808 . 1 1 77 77 HIS N N 15 116.630 0.2 . 1 . . . . . . . . 4959 1 809 . 1 1 77 77 HIS H H 1 7.489 0.03 . 1 . . . . . . . . 4959 1 810 . 1 1 77 77 HIS CA C 13 54.520 0.3 . 1 . . . . . . . . 4959 1 811 . 1 1 77 77 HIS HA H 1 4.648 0.03 . 1 . . . . . . . . 4959 1 812 . 1 1 77 77 HIS CB C 13 27.473 0.3 . 1 . . . . . . . . 4959 1 813 . 1 1 77 77 HIS HB2 H 1 3.087 0.03 . 2 . . . . . . . . 4959 1 814 . 1 1 77 77 HIS HB3 H 1 3.632 0.03 . 2 . . . . . . . . 4959 1 815 . 1 1 77 77 HIS C C 13 173.981 0.3 . 1 . . . . . . . . 4959 1 816 . 1 1 78 78 VAL N N 15 118.579 0.2 . 1 . . . . . . . . 4959 1 817 . 1 1 78 78 VAL H H 1 6.740 0.03 . 1 . . . . . . . . 4959 1 818 . 1 1 78 78 VAL CA C 13 62.814 0.3 . 1 . . . . . . . . 4959 1 819 . 1 1 78 78 VAL HA H 1 3.479 0.03 . 1 . . . . . . . . 4959 1 820 . 1 1 78 78 VAL CB C 13 30.010 0.3 . 1 . . . . . . . . 4959 1 821 . 1 1 78 78 VAL HB H 1 2.120 0.03 . 1 . . . . . . . . 4959 1 822 . 1 1 78 78 VAL CG1 C 13 21.160 0.3 . 2 . . . . . . . . 4959 1 823 . 1 1 78 78 VAL HG11 H 1 0.954 0.03 . 2 . . . . . . . . 4959 1 824 . 1 1 78 78 VAL HG12 H 1 0.954 0.03 . 2 . . . . . . . . 4959 1 825 . 1 1 78 78 VAL HG13 H 1 0.954 0.03 . 2 . . . . . . . . 4959 1 826 . 1 1 78 78 VAL CG2 C 13 19.390 0.3 . 2 . . . . . . . . 4959 1 827 . 1 1 78 78 VAL HG21 H 1 1.010 0.03 . 2 . . . . . . . . 4959 1 828 . 1 1 78 78 VAL HG22 H 1 1.010 0.03 . 2 . . . . . . . . 4959 1 829 . 1 1 78 78 VAL HG23 H 1 1.010 0.03 . 2 . . . . . . . . 4959 1 830 . 1 1 78 78 VAL C C 13 175.870 0.3 . 1 . . . . . . . . 4959 1 831 . 1 1 79 79 TYR N N 15 119.944 0.2 . 1 . . . . . . . . 4959 1 832 . 1 1 79 79 TYR H H 1 8.263 0.03 . 1 . . . . . . . . 4959 1 833 . 1 1 79 79 TYR CA C 13 59.822 0.3 . 1 . . . . . . . . 4959 1 834 . 1 1 79 79 TYR HA H 1 3.927 0.03 . 1 . . . . . . . . 4959 1 835 . 1 1 79 79 TYR CB C 13 38.207 0.3 . 1 . . . . . . . . 4959 1 836 . 1 1 79 79 TYR HB2 H 1 3.141 0.03 . 2 . . . . . . . . 4959 1 837 . 1 1 79 79 TYR HB3 H 1 2.879 0.03 . 2 . . . . . . . . 4959 1 838 . 1 1 79 79 TYR CD1 C 13 130.023 0.3 . 1 . . . . . . . . 4959 1 839 . 1 1 79 79 TYR HD1 H 1 6.854 0.03 . 1 . . . . . . . . 4959 1 840 . 1 1 79 79 TYR CD2 C 13 130.023 0.3 . 1 . . . . . . . . 4959 1 841 . 1 1 79 79 TYR HD2 H 1 6.854 0.03 . 1 . . . . . . . . 4959 1 842 . 1 1 79 79 TYR CE1 C 13 116.738 0.3 . 1 . . . . . . . . 4959 1 843 . 1 1 79 79 TYR HE1 H 1 6.953 0.03 . 1 . . . . . . . . 4959 1 844 . 1 1 79 79 TYR CE2 C 13 116.738 0.3 . 1 . . . . . . . . 4959 1 845 . 1 1 79 79 TYR HE2 H 1 6.953 0.03 . 1 . . . . . . . . 4959 1 846 . 1 1 79 79 TYR C C 13 176.014 0.3 . 1 . . . . . . . . 4959 1 847 . 1 1 80 80 LYS N N 15 119.183 0.2 . 1 . . . . . . . . 4959 1 848 . 1 1 80 80 LYS H H 1 8.976 0.03 . 1 . . . . . . . . 4959 1 849 . 1 1 80 80 LYS CA C 13 57.870 0.3 . 1 . . . . . . . . 4959 1 850 . 1 1 80 80 LYS HA H 1 3.820 0.03 . 1 . . . . . . . . 4959 1 851 . 1 1 80 80 LYS CB C 13 30.660 0.3 . 1 . . . . . . . . 4959 1 852 . 1 1 80 80 LYS HB2 H 1 1.748 0.03 . 2 . . . . . . . . 4959 1 853 . 1 1 80 80 LYS HB3 H 1 1.805 0.03 . 2 . . . . . . . . 4959 1 854 . 1 1 80 80 LYS HG2 H 1 1.458 0.03 . 2 . . . . . . . . 4959 1 855 . 1 1 80 80 LYS C C 13 176.208 0.3 . 1 . . . . . . . . 4959 1 856 . 1 1 81 81 ALA N N 15 123.064 0.2 . 1 . . . . . . . . 4959 1 857 . 1 1 81 81 ALA H H 1 7.835 0.03 . 1 . . . . . . . . 4959 1 858 . 1 1 81 81 ALA CA C 13 53.642 0.3 . 1 . . . . . . . . 4959 1 859 . 1 1 81 81 ALA HA H 1 3.767 0.03 . 1 . . . . . . . . 4959 1 860 . 1 1 81 81 ALA CB C 13 15.438 0.3 . 1 . . . . . . . . 4959 1 861 . 1 1 81 81 ALA HB1 H 1 1.414 0.03 . 1 . . . . . . . . 4959 1 862 . 1 1 81 81 ALA HB2 H 1 1.414 0.03 . 1 . . . . . . . . 4959 1 863 . 1 1 81 81 ALA HB3 H 1 1.414 0.03 . 1 . . . . . . . . 4959 1 864 . 1 1 81 81 ALA C C 13 176.842 0.3 . 1 . . . . . . . . 4959 1 865 . 1 1 82 82 MET N N 15 118.210 0.2 . 1 . . . . . . . . 4959 1 866 . 1 1 82 82 MET H H 1 7.825 0.03 . 1 . . . . . . . . 4959 1 867 . 1 1 82 82 MET CA C 13 57.870 0.3 . 1 . . . . . . . . 4959 1 868 . 1 1 82 82 MET HA H 1 3.876 0.03 . 1 . . . . . . . . 4959 1 869 . 1 1 82 82 MET CB C 13 32.475 0.3 . 1 . . . . . . . . 4959 1 870 . 1 1 82 82 MET HB2 H 1 1.752 0.03 . 2 . . . . . . . . 4959 1 871 . 1 1 82 82 MET HB3 H 1 2.371 0.03 . 2 . . . . . . . . 4959 1 872 . 1 1 82 82 MET CE C 13 16.900 0.3 . 1 . . . . . . . . 4959 1 873 . 1 1 82 82 MET HE1 H 1 2.162 0.03 . 1 . . . . . . . . 4959 1 874 . 1 1 82 82 MET HE2 H 1 2.162 0.03 . 1 . . . . . . . . 4959 1 875 . 1 1 82 82 MET HE3 H 1 2.162 0.03 . 1 . . . . . . . . 4959 1 876 . 1 1 82 82 MET C C 13 175.546 0.3 . 1 . . . . . . . . 4959 1 877 . 1 1 83 83 THR N N 15 119.092 0.2 . 1 . . . . . . . . 4959 1 878 . 1 1 83 83 THR H H 1 7.839 0.03 . 1 . . . . . . . . 4959 1 879 . 1 1 83 83 THR CA C 13 64.636 0.3 . 1 . . . . . . . . 4959 1 880 . 1 1 83 83 THR HA H 1 3.793 0.03 . 1 . . . . . . . . 4959 1 881 . 1 1 83 83 THR CB C 13 66.006 0.3 . 1 . . . . . . . . 4959 1 882 . 1 1 83 83 THR HB H 1 4.144 0.03 . 1 . . . . . . . . 4959 1 883 . 1 1 83 83 THR CG2 C 13 19.212 0.3 . 1 . . . . . . . . 4959 1 884 . 1 1 83 83 THR HG21 H 1 1.111 0.03 . 1 . . . . . . . . 4959 1 885 . 1 1 83 83 THR HG22 H 1 1.111 0.03 . 1 . . . . . . . . 4959 1 886 . 1 1 83 83 THR HG23 H 1 1.111 0.03 . 1 . . . . . . . . 4959 1 887 . 1 1 83 83 THR C C 13 174.413 0.3 . 1 . . . . . . . . 4959 1 888 . 1 1 84 84 LEU N N 15 124.493 0.2 . 1 . . . . . . . . 4959 1 889 . 1 1 84 84 LEU H H 1 8.332 0.03 . 1 . . . . . . . . 4959 1 890 . 1 1 84 84 LEU CA C 13 55.268 0.3 . 1 . . . . . . . . 4959 1 891 . 1 1 84 84 LEU HA H 1 4.311 0.03 . 1 . . . . . . . . 4959 1 892 . 1 1 84 84 LEU CB C 13 39.258 0.3 . 1 . . . . . . . . 4959 1 893 . 1 1 84 84 LEU HB2 H 1 1.889 0.03 . 2 . . . . . . . . 4959 1 894 . 1 1 84 84 LEU HB3 H 1 1.868 0.03 . 2 . . . . . . . . 4959 1 895 . 1 1 84 84 LEU CG C 13 24.948 0.3 . 1 . . . . . . . . 4959 1 896 . 1 1 84 84 LEU HG H 1 1.399 0.03 . 1 . . . . . . . . 4959 1 897 . 1 1 84 84 LEU CD1 C 13 21.416 0.3 . 2 . . . . . . . . 4959 1 898 . 1 1 84 84 LEU HD11 H 1 0.810 0.03 . 2 . . . . . . . . 4959 1 899 . 1 1 84 84 LEU HD12 H 1 0.810 0.03 . 2 . . . . . . . . 4959 1 900 . 1 1 84 84 LEU HD13 H 1 0.810 0.03 . 2 . . . . . . . . 4959 1 901 . 1 1 84 84 LEU CD2 C 13 25.072 0.3 . 2 . . . . . . . . 4959 1 902 . 1 1 84 84 LEU HD21 H 1 0.726 0.03 . 2 . . . . . . . . 4959 1 903 . 1 1 84 84 LEU HD22 H 1 0.726 0.03 . 2 . . . . . . . . 4959 1 904 . 1 1 84 84 LEU HD23 H 1 0.726 0.03 . 2 . . . . . . . . 4959 1 905 . 1 1 84 84 LEU C C 13 175.330 0.3 . 1 . . . . . . . . 4959 1 906 . 1 1 85 85 MET N N 15 120.890 0.2 . 1 . . . . . . . . 4959 1 907 . 1 1 85 85 MET H H 1 8.561 0.03 . 1 . . . . . . . . 4959 1 908 . 1 1 85 85 MET CA C 13 58.325 0.3 . 1 . . . . . . . . 4959 1 909 . 1 1 85 85 MET HA H 1 3.491 0.03 . 1 . . . . . . . . 4959 1 910 . 1 1 85 85 MET CB C 13 31.170 0.3 . 1 . . . . . . . . 4959 1 911 . 1 1 85 85 MET HB2 H 1 2.083 0.03 . 2 . . . . . . . . 4959 1 912 . 1 1 85 85 MET HB3 H 1 2.064 0.03 . 2 . . . . . . . . 4959 1 913 . 1 1 85 85 MET CG C 13 29.420 0.3 . 1 . . . . . . . . 4959 1 914 . 1 1 85 85 MET HG2 H 1 1.969 0.03 . 2 . . . . . . . . 4959 1 915 . 1 1 85 85 MET CE C 13 15.271 0.3 . 1 . . . . . . . . 4959 1 916 . 1 1 85 85 MET HE1 H 1 1.432 0.03 . 1 . . . . . . . . 4959 1 917 . 1 1 85 85 MET HE2 H 1 1.432 0.03 . 1 . . . . . . . . 4959 1 918 . 1 1 85 85 MET HE3 H 1 1.432 0.03 . 1 . . . . . . . . 4959 1 919 . 1 1 85 85 MET C C 13 174.593 0.3 . 1 . . . . . . . . 4959 1 920 . 1 1 86 86 GLU N N 15 119.422 0.2 . 1 . . . . . . . . 4959 1 921 . 1 1 86 86 GLU H H 1 8.292 0.03 . 1 . . . . . . . . 4959 1 922 . 1 1 86 86 GLU CA C 13 57.903 0.3 . 1 . . . . . . . . 4959 1 923 . 1 1 86 86 GLU HA H 1 3.590 0.03 . 1 . . . . . . . . 4959 1 924 . 1 1 86 86 GLU CB C 13 28.219 0.3 . 1 . . . . . . . . 4959 1 925 . 1 1 86 86 GLU HB2 H 1 2.072 0.03 . 2 . . . . . . . . 4959 1 926 . 1 1 86 86 GLU HB3 H 1 2.265 0.03 . 2 . . . . . . . . 4959 1 927 . 1 1 86 86 GLU HG2 H 1 2.235 0.03 . 2 . . . . . . . . 4959 1 928 . 1 1 86 86 GLU C C 13 174.647 0.3 . 1 . . . . . . . . 4959 1 929 . 1 1 87 87 TYR N N 15 120.333 0.2 . 1 . . . . . . . . 4959 1 930 . 1 1 87 87 TYR H H 1 7.558 0.03 . 1 . . . . . . . . 4959 1 931 . 1 1 87 87 TYR CA C 13 59.789 0.3 . 1 . . . . . . . . 4959 1 932 . 1 1 87 87 TYR HA H 1 3.983 0.03 . 1 . . . . . . . . 4959 1 933 . 1 1 87 87 TYR CB C 13 37.780 0.3 . 1 . . . . . . . . 4959 1 934 . 1 1 87 87 TYR HB2 H 1 3.211 0.03 . 2 . . . . . . . . 4959 1 935 . 1 1 87 87 TYR HB3 H 1 3.100 0.03 . 2 . . . . . . . . 4959 1 936 . 1 1 87 87 TYR CD1 C 13 130.571 0.3 . 1 . . . . . . . . 4959 1 937 . 1 1 87 87 TYR HD1 H 1 6.860 0.03 . 1 . . . . . . . . 4959 1 938 . 1 1 87 87 TYR CD2 C 13 130.571 0.3 . 1 . . . . . . . . 4959 1 939 . 1 1 87 87 TYR HD2 H 1 6.860 0.03 . 1 . . . . . . . . 4959 1 940 . 1 1 87 87 TYR CE1 C 13 116.541 0.3 . 1 . . . . . . . . 4959 1 941 . 1 1 87 87 TYR HE1 H 1 6.670 0.03 . 1 . . . . . . . . 4959 1 942 . 1 1 87 87 TYR CE2 C 13 116.541 0.3 . 1 . . . . . . . . 4959 1 943 . 1 1 87 87 TYR HE2 H 1 6.670 0.03 . 1 . . . . . . . . 4959 1 944 . 1 1 87 87 TYR C C 13 173.297 0.3 . 1 . . . . . . . . 4959 1 945 . 1 1 88 88 LEU N N 15 120.373 0.2 . 1 . . . . . . . . 4959 1 946 . 1 1 88 88 LEU H H 1 8.858 0.03 . 1 . . . . . . . . 4959 1 947 . 1 1 88 88 LEU CA C 13 55.040 0.3 . 1 . . . . . . . . 4959 1 948 . 1 1 88 88 LEU HA H 1 3.903 0.03 . 1 . . . . . . . . 4959 1 949 . 1 1 88 88 LEU CB C 13 40.418 0.3 . 1 . . . . . . . . 4959 1 950 . 1 1 88 88 LEU HB2 H 1 1.338 0.03 . 2 . . . . . . . . 4959 1 951 . 1 1 88 88 LEU HB3 H 1 1.962 0.03 . 2 . . . . . . . . 4959 1 952 . 1 1 88 88 LEU CG C 13 23.407 0.3 . 1 . . . . . . . . 4959 1 953 . 1 1 88 88 LEU HG H 1 2.136 0.03 . 1 . . . . . . . . 4959 1 954 . 1 1 88 88 LEU CD1 C 13 23.388 0.3 . 2 . . . . . . . . 4959 1 955 . 1 1 88 88 LEU HD11 H 1 0.566 0.03 . 2 . . . . . . . . 4959 1 956 . 1 1 88 88 LEU HD12 H 1 0.566 0.03 . 2 . . . . . . . . 4959 1 957 . 1 1 88 88 LEU HD13 H 1 0.566 0.03 . 2 . . . . . . . . 4959 1 958 . 1 1 88 88 LEU CD2 C 13 19.559 0.3 . 2 . . . . . . . . 4959 1 959 . 1 1 88 88 LEU HD21 H 1 0.820 0.03 . 2 . . . . . . . . 4959 1 960 . 1 1 88 88 LEU HD22 H 1 0.820 0.03 . 2 . . . . . . . . 4959 1 961 . 1 1 88 88 LEU HD23 H 1 0.820 0.03 . 2 . . . . . . . . 4959 1 962 . 1 1 88 88 LEU C C 13 177.292 0.3 . 1 . . . . . . . . 4959 1 963 . 1 1 89 89 ILE N N 15 122.688 0.2 . 1 . . . . . . . . 4959 1 964 . 1 1 89 89 ILE H H 1 8.740 0.03 . 1 . . . . . . . . 4959 1 965 . 1 1 89 89 ILE CA C 13 63.074 0.3 . 1 . . . . . . . . 4959 1 966 . 1 1 89 89 ILE HA H 1 3.522 0.03 . 1 . . . . . . . . 4959 1 967 . 1 1 89 89 ILE CB C 13 35.780 0.3 . 1 . . . . . . . . 4959 1 968 . 1 1 89 89 ILE HB H 1 1.927 0.03 . 1 . . . . . . . . 4959 1 969 . 1 1 89 89 ILE CG1 C 13 28.404 0.3 . 1 . . . . . . . . 4959 1 970 . 1 1 89 89 ILE HG12 H 1 1.802 0.03 . 1 . . . . . . . . 4959 1 971 . 1 1 89 89 ILE HG13 H 1 1.802 0.03 . 1 . . . . . . . . 4959 1 972 . 1 1 89 89 ILE CG2 C 13 14.804 0.3 . 1 . . . . . . . . 4959 1 973 . 1 1 89 89 ILE HG21 H 1 0.801 0.03 . 1 . . . . . . . . 4959 1 974 . 1 1 89 89 ILE HG22 H 1 0.801 0.03 . 1 . . . . . . . . 4959 1 975 . 1 1 89 89 ILE HG23 H 1 0.801 0.03 . 1 . . . . . . . . 4959 1 976 . 1 1 89 89 ILE CD1 C 13 12.936 0.3 . 1 . . . . . . . . 4959 1 977 . 1 1 89 89 ILE HD11 H 1 0.774 0.03 . 1 . . . . . . . . 4959 1 978 . 1 1 89 89 ILE HD12 H 1 0.774 0.03 . 1 . . . . . . . . 4959 1 979 . 1 1 89 89 ILE HD13 H 1 0.774 0.03 . 1 . . . . . . . . 4959 1 980 . 1 1 89 89 ILE C C 13 175.960 0.3 . 1 . . . . . . . . 4959 1 981 . 1 1 90 90 LYS N N 15 117.770 0.2 . 1 . . . . . . . . 4959 1 982 . 1 1 90 90 LYS H H 1 7.275 0.03 . 1 . . . . . . . . 4959 1 983 . 1 1 90 90 LYS CA C 13 56.732 0.3 . 1 . . . . . . . . 4959 1 984 . 1 1 90 90 LYS HA H 1 4.108 0.03 . 1 . . . . . . . . 4959 1 985 . 1 1 90 90 LYS CB C 13 31.115 0.3 . 1 . . . . . . . . 4959 1 986 . 1 1 90 90 LYS HB2 H 1 1.748 0.03 . 1 . . . . . . . . 4959 1 987 . 1 1 90 90 LYS HB3 H 1 1.748 0.03 . 1 . . . . . . . . 4959 1 988 . 1 1 90 90 LYS CG C 13 23.299 0.3 . 1 . . . . . . . . 4959 1 989 . 1 1 90 90 LYS HG2 H 1 1.392 0.03 . 2 . . . . . . . . 4959 1 990 . 1 1 90 90 LYS HG3 H 1 1.463 0.03 . 2 . . . . . . . . 4959 1 991 . 1 1 90 90 LYS CD C 13 27.095 0.3 . 1 . . . . . . . . 4959 1 992 . 1 1 90 90 LYS HD2 H 1 1.625 0.03 . 2 . . . . . . . . 4959 1 993 . 1 1 90 90 LYS CE C 13 39.970 0.3 . 1 . . . . . . . . 4959 1 994 . 1 1 90 90 LYS HE2 H 1 2.891 0.03 . 2 . . . . . . . . 4959 1 995 . 1 1 90 90 LYS C C 13 176.194 0.3 . 1 . . . . . . . . 4959 1 996 . 1 1 91 91 THR N N 15 109.666 0.2 . 1 . . . . . . . . 4959 1 997 . 1 1 91 91 THR H H 1 7.805 0.03 . 1 . . . . . . . . 4959 1 998 . 1 1 91 91 THR CA C 13 60.472 0.3 . 1 . . . . . . . . 4959 1 999 . 1 1 91 91 THR HA H 1 4.468 0.03 . 1 . . . . . . . . 4959 1 1000 . 1 1 91 91 THR CB C 13 68.651 0.3 . 1 . . . . . . . . 4959 1 1001 . 1 1 91 91 THR HB H 1 3.781 0.03 . 1 . . . . . . . . 4959 1 1002 . 1 1 91 91 THR CG2 C 13 19.192 0.3 . 1 . . . . . . . . 4959 1 1003 . 1 1 91 91 THR HG21 H 1 0.892 0.03 . 1 . . . . . . . . 4959 1 1004 . 1 1 91 91 THR HG22 H 1 0.892 0.03 . 1 . . . . . . . . 4959 1 1005 . 1 1 91 91 THR HG23 H 1 0.892 0.03 . 1 . . . . . . . . 4959 1 1006 . 1 1 91 91 THR C C 13 173.297 0.3 . 1 . . . . . . . . 4959 1 1007 . 1 1 92 92 GLY N N 15 112.450 0.2 . 1 . . . . . . . . 4959 1 1008 . 1 1 92 92 GLY H H 1 8.377 0.03 . 1 . . . . . . . . 4959 1 1009 . 1 1 92 92 GLY CA C 13 41.075 0.3 . 1 . . . . . . . . 4959 1 1010 . 1 1 92 92 GLY HA2 H 1 4.339 0.03 . 2 . . . . . . . . 4959 1 1011 . 1 1 92 92 GLY HA3 H 1 3.573 0.03 . 2 . . . . . . . . 4959 1 1012 . 1 1 92 92 GLY C C 13 169.638 0.3 . 1 . . . . . . . . 4959 1 1013 . 1 1 93 93 SER N N 15 112.503 0.2 . 1 . . . . . . . . 4959 1 1014 . 1 1 93 93 SER H H 1 7.276 0.03 . 1 . . . . . . . . 4959 1 1015 . 1 1 93 93 SER CA C 13 55.550 0.3 . 1 . . . . . . . . 4959 1 1016 . 1 1 93 93 SER HA H 1 3.822 0.03 . 1 . . . . . . . . 4959 1 1017 . 1 1 93 93 SER CB C 13 61.261 0.3 . 1 . . . . . . . . 4959 1 1018 . 1 1 93 93 SER HB2 H 1 3.142 0.03 . 2 . . . . . . . . 4959 1 1019 . 1 1 93 93 SER HB3 H 1 2.791 0.03 . 2 . . . . . . . . 4959 1 1020 . 1 1 93 93 SER C C 13 174.809 0.3 . 1 . . . . . . . . 4959 1 1021 . 1 1 94 94 GLU N N 15 130.961 0.2 . 1 . . . . . . . . 4959 1 1022 . 1 1 94 94 GLU H H 1 9.331 0.03 . 1 . . . . . . . . 4959 1 1023 . 1 1 94 94 GLU CA C 13 56.851 0.3 . 1 . . . . . . . . 4959 1 1024 . 1 1 94 94 GLU HA H 1 4.273 0.03 . 1 . . . . . . . . 4959 1 1025 . 1 1 94 94 GLU CB C 13 26.887 0.3 . 1 . . . . . . . . 4959 1 1026 . 1 1 94 94 GLU HB2 H 1 2.112 0.03 . 2 . . . . . . . . 4959 1 1027 . 1 1 94 94 GLU CG C 13 33.534 0.3 . 1 . . . . . . . . 4959 1 1028 . 1 1 94 94 GLU HG2 H 1 2.363 0.03 . 2 . . . . . . . . 4959 1 1029 . 1 1 94 94 GLU C C 13 174.665 0.3 . 1 . . . . . . . . 4959 1 1030 . 1 1 95 95 ARG N N 15 118.683 0.2 . 1 . . . . . . . . 4959 1 1031 . 1 1 95 95 ARG H H 1 7.828 0.03 . 1 . . . . . . . . 4959 1 1032 . 1 1 95 95 ARG CA C 13 56.298 0.3 . 1 . . . . . . . . 4959 1 1033 . 1 1 95 95 ARG HA H 1 3.977 0.03 . 1 . . . . . . . . 4959 1 1034 . 1 1 95 95 ARG CB C 13 28.318 0.3 . 1 . . . . . . . . 4959 1 1035 . 1 1 95 95 ARG HB2 H 1 1.338 0.03 . 2 . . . . . . . . 4959 1 1036 . 1 1 95 95 ARG HB3 H 1 0.977 0.03 . 2 . . . . . . . . 4959 1 1037 . 1 1 95 95 ARG CG C 13 25.415 0.3 . 1 . . . . . . . . 4959 1 1038 . 1 1 95 95 ARG HG2 H 1 1.397 0.03 . 1 . . . . . . . . 4959 1 1039 . 1 1 95 95 ARG HG3 H 1 1.397 0.03 . 1 . . . . . . . . 4959 1 1040 . 1 1 95 95 ARG CD C 13 40.727 0.3 . 1 . . . . . . . . 4959 1 1041 . 1 1 95 95 ARG HD2 H 1 2.643 0.03 . 2 . . . . . . . . 4959 1 1042 . 1 1 95 95 ARG HD3 H 1 2.772 0.03 . 2 . . . . . . . . 4959 1 1043 . 1 1 95 95 ARG C C 13 176.878 0.3 . 1 . . . . . . . . 4959 1 1044 . 1 1 96 96 VAL N N 15 120.133 0.2 . 1 . . . . . . . . 4959 1 1045 . 1 1 96 96 VAL H H 1 8.077 0.03 . 1 . . . . . . . . 4959 1 1046 . 1 1 96 96 VAL CA C 13 64.646 0.3 . 1 . . . . . . . . 4959 1 1047 . 1 1 96 96 VAL HA H 1 3.860 0.03 . 1 . . . . . . . . 4959 1 1048 . 1 1 96 96 VAL CB C 13 29.489 0.3 . 1 . . . . . . . . 4959 1 1049 . 1 1 96 96 VAL HB H 1 2.308 0.03 . 1 . . . . . . . . 4959 1 1050 . 1 1 96 96 VAL CG1 C 13 19.981 0.3 . 2 . . . . . . . . 4959 1 1051 . 1 1 96 96 VAL HG11 H 1 1.209 0.03 . 2 . . . . . . . . 4959 1 1052 . 1 1 96 96 VAL HG12 H 1 1.209 0.03 . 2 . . . . . . . . 4959 1 1053 . 1 1 96 96 VAL HG13 H 1 1.209 0.03 . 2 . . . . . . . . 4959 1 1054 . 1 1 96 96 VAL CG2 C 13 19.160 0.3 . 2 . . . . . . . . 4959 1 1055 . 1 1 96 96 VAL HG21 H 1 0.830 0.03 . 2 . . . . . . . . 4959 1 1056 . 1 1 96 96 VAL HG22 H 1 0.830 0.03 . 2 . . . . . . . . 4959 1 1057 . 1 1 96 96 VAL HG23 H 1 0.830 0.03 . 2 . . . . . . . . 4959 1 1058 . 1 1 96 96 VAL C C 13 175.852 0.3 . 1 . . . . . . . . 4959 1 1059 . 1 1 97 97 SER N N 15 116.054 0.2 . 1 . . . . . . . . 4959 1 1060 . 1 1 97 97 SER H H 1 7.742 0.03 . 1 . . . . . . . . 4959 1 1061 . 1 1 97 97 SER CA C 13 60.418 0.3 . 1 . . . . . . . . 4959 1 1062 . 1 1 97 97 SER HA H 1 3.859 0.03 . 1 . . . . . . . . 4959 1 1063 . 1 1 97 97 SER CB C 13 60.259 0.3 . 1 . . . . . . . . 4959 1 1064 . 1 1 97 97 SER HB2 H 1 4.013 0.03 . 1 . . . . . . . . 4959 1 1065 . 1 1 97 97 SER HB3 H 1 4.013 0.03 . 1 . . . . . . . . 4959 1 1066 . 1 1 97 97 SER C C 13 173.891 0.3 . 1 . . . . . . . . 4959 1 1067 . 1 1 98 98 GLN N N 15 119.910 0.2 . 1 . . . . . . . . 4959 1 1068 . 1 1 98 98 GLN H H 1 7.634 0.03 . 1 . . . . . . . . 4959 1 1069 . 1 1 98 98 GLN CA C 13 57.100 0.3 . 1 . . . . . . . . 4959 1 1070 . 1 1 98 98 GLN HA H 1 4.034 0.03 . 1 . . . . . . . . 4959 1 1071 . 1 1 98 98 GLN CB C 13 25.998 0.3 . 1 . . . . . . . . 4959 1 1072 . 1 1 98 98 GLN HB2 H 1 2.160 0.03 . 1 . . . . . . . . 4959 1 1073 . 1 1 98 98 GLN HB3 H 1 2.160 0.03 . 1 . . . . . . . . 4959 1 1074 . 1 1 98 98 GLN CG C 13 31.092 0.3 . 1 . . . . . . . . 4959 1 1075 . 1 1 98 98 GLN HG2 H 1 2.437 0.03 . 2 . . . . . . . . 4959 1 1076 . 1 1 98 98 GLN HG3 H 1 2.545 0.03 . 2 . . . . . . . . 4959 1 1077 . 1 1 98 98 GLN C C 13 176.230 0.3 . 1 . . . . . . . . 4959 1 1078 . 1 1 99 99 GLN N N 15 119.750 0.2 . 1 . . . . . . . . 4959 1 1079 . 1 1 99 99 GLN H H 1 8.130 0.03 . 1 . . . . . . . . 4959 1 1080 . 1 1 99 99 GLN CA C 13 57.165 0.3 . 1 . . . . . . . . 4959 1 1081 . 1 1 99 99 GLN HA H 1 4.265 0.03 . 1 . . . . . . . . 4959 1 1082 . 1 1 99 99 GLN CB C 13 27.234 0.3 . 1 . . . . . . . . 4959 1 1083 . 1 1 99 99 GLN HB2 H 1 2.474 0.03 . 1 . . . . . . . . 4959 1 1084 . 1 1 99 99 GLN HB3 H 1 2.474 0.03 . 1 . . . . . . . . 4959 1 1085 . 1 1 99 99 GLN CG C 13 34.092 0.3 . 1 . . . . . . . . 4959 1 1086 . 1 1 99 99 GLN HG2 H 1 2.834 0.03 . 1 . . . . . . . . 4959 1 1087 . 1 1 99 99 GLN HG3 H 1 2.834 0.03 . 1 . . . . . . . . 4959 1 1088 . 1 1 99 99 GLN C C 13 177.220 0.3 . 1 . . . . . . . . 4959 1 1089 . 1 1 100 100 CYS N N 15 119.690 0.2 . 1 . . . . . . . . 4959 1 1090 . 1 1 100 100 CYS H H 1 8.665 0.03 . 1 . . . . . . . . 4959 1 1091 . 1 1 100 100 CYS CA C 13 62.532 0.3 . 1 . . . . . . . . 4959 1 1092 . 1 1 100 100 CYS HA H 1 4.367 0.03 . 1 . . . . . . . . 4959 1 1093 . 1 1 100 100 CYS CB C 13 25.478 0.3 . 1 . . . . . . . . 4959 1 1094 . 1 1 100 100 CYS HB2 H 1 3.067 0.03 . 2 . . . . . . . . 4959 1 1095 . 1 1 100 100 CYS HB3 H 1 2.745 0.03 . 2 . . . . . . . . 4959 1 1096 . 1 1 100 100 CYS C C 13 173.927 0.3 . 1 . . . . . . . . 4959 1 1097 . 1 1 101 101 LYS N N 15 118.860 0.2 . 1 . . . . . . . . 4959 1 1098 . 1 1 101 101 LYS H H 1 8.208 0.03 . 1 . . . . . . . . 4959 1 1099 . 1 1 101 101 LYS CA C 13 58.141 0.3 . 1 . . . . . . . . 4959 1 1100 . 1 1 101 101 LYS HA H 1 3.970 0.03 . 1 . . . . . . . . 4959 1 1101 . 1 1 101 101 LYS CB C 13 29.967 0.3 . 1 . . . . . . . . 4959 1 1102 . 1 1 101 101 LYS HB2 H 1 1.987 0.03 . 1 . . . . . . . . 4959 1 1103 . 1 1 101 101 LYS HB3 H 1 1.987 0.03 . 1 . . . . . . . . 4959 1 1104 . 1 1 101 101 LYS CG C 13 24.400 0.3 . 1 . . . . . . . . 4959 1 1105 . 1 1 101 101 LYS HG2 H 1 1.490 0.03 . 1 . . . . . . . . 4959 1 1106 . 1 1 101 101 LYS HG3 H 1 1.490 0.03 . 1 . . . . . . . . 4959 1 1107 . 1 1 101 101 LYS CD C 13 27.394 0.3 . 1 . . . . . . . . 4959 1 1108 . 1 1 101 101 LYS HD2 H 1 1.721 0.03 . 1 . . . . . . . . 4959 1 1109 . 1 1 101 101 LYS HD3 H 1 1.721 0.03 . 1 . . . . . . . . 4959 1 1110 . 1 1 101 101 LYS CE C 13 39.939 0.3 . 1 . . . . . . . . 4959 1 1111 . 1 1 101 101 LYS HE2 H 1 2.998 0.03 . 1 . . . . . . . . 4959 1 1112 . 1 1 101 101 LYS HE3 H 1 2.998 0.03 . 1 . . . . . . . . 4959 1 1113 . 1 1 101 101 LYS C C 13 177.490 0.3 . 1 . . . . . . . . 4959 1 1114 . 1 1 102 102 GLU N N 15 120.226 0.2 . 1 . . . . . . . . 4959 1 1115 . 1 1 102 102 GLU H H 1 7.749 0.03 . 1 . . . . . . . . 4959 1 1116 . 1 1 102 102 GLU CA C 13 56.347 0.3 . 1 . . . . . . . . 4959 1 1117 . 1 1 102 102 GLU HA H 1 4.152 0.03 . 1 . . . . . . . . 4959 1 1118 . 1 1 102 102 GLU CB C 13 27.451 0.3 . 1 . . . . . . . . 4959 1 1119 . 1 1 102 102 GLU HB2 H 1 2.156 0.03 . 1 . . . . . . . . 4959 1 1120 . 1 1 102 102 GLU HB3 H 1 2.156 0.03 . 1 . . . . . . . . 4959 1 1121 . 1 1 102 102 GLU CG C 13 33.936 0.3 . 1 . . . . . . . . 4959 1 1122 . 1 1 102 102 GLU HG2 H 1 2.504 0.03 . 2 . . . . . . . . 4959 1 1123 . 1 1 102 102 GLU HG3 H 1 2.469 0.03 . 2 . . . . . . . . 4959 1 1124 . 1 1 102 102 GLU C C 13 174.863 0.3 . 1 . . . . . . . . 4959 1 1125 . 1 1 103 103 ASN N N 15 118.578 0.2 . 1 . . . . . . . . 4959 1 1126 . 1 1 103 103 ASN H H 1 7.492 0.03 . 1 . . . . . . . . 4959 1 1127 . 1 1 103 103 ASN CA C 13 49.738 0.3 . 1 . . . . . . . . 4959 1 1128 . 1 1 103 103 ASN HA H 1 4.980 0.03 . 1 . . . . . . . . 4959 1 1129 . 1 1 103 103 ASN CB C 13 36.818 0.3 . 1 . . . . . . . . 4959 1 1130 . 1 1 103 103 ASN HB2 H 1 2.098 0.03 . 2 . . . . . . . . 4959 1 1131 . 1 1 103 103 ASN HB3 H 1 2.270 0.03 . 2 . . . . . . . . 4959 1 1132 . 1 1 103 103 ASN C C 13 172.919 0.3 . 1 . . . . . . . . 4959 1 1133 . 1 1 104 104 MET N N 15 120.393 0.2 . 1 . . . . . . . . 4959 1 1134 . 1 1 104 104 MET H H 1 7.117 0.03 . 1 . . . . . . . . 4959 1 1135 . 1 1 104 104 MET CA C 13 56.738 0.3 . 1 . . . . . . . . 4959 1 1136 . 1 1 104 104 MET HA H 1 4.010 0.03 . 1 . . . . . . . . 4959 1 1137 . 1 1 104 104 MET CB C 13 30.573 0.3 . 1 . . . . . . . . 4959 1 1138 . 1 1 104 104 MET HB2 H 1 2.154 0.03 . 2 . . . . . . . . 4959 1 1139 . 1 1 104 104 MET HB3 H 1 2.358 0.03 . 2 . . . . . . . . 4959 1 1140 . 1 1 104 104 MET CG C 13 29.709 0.3 . 1 . . . . . . . . 4959 1 1141 . 1 1 104 104 MET HG2 H 1 2.700 0.03 . 2 . . . . . . . . 4959 1 1142 . 1 1 104 104 MET HG3 H 1 2.530 0.03 . 2 . . . . . . . . 4959 1 1143 . 1 1 104 104 MET CE C 13 14.678 0.3 . 1 . . . . . . . . 4959 1 1144 . 1 1 104 104 MET HE1 H 1 1.586 0.03 . 1 . . . . . . . . 4959 1 1145 . 1 1 104 104 MET HE2 H 1 1.586 0.03 . 1 . . . . . . . . 4959 1 1146 . 1 1 104 104 MET HE3 H 1 1.586 0.03 . 1 . . . . . . . . 4959 1 1147 . 1 1 104 104 MET C C 13 175.690 0.3 . 1 . . . . . . . . 4959 1 1148 . 1 1 105 105 TYR N N 15 120.885 0.2 . 1 . . . . . . . . 4959 1 1149 . 1 1 105 105 TYR H H 1 8.547 0.03 . 1 . . . . . . . . 4959 1 1150 . 1 1 105 105 TYR CA C 13 58.608 0.3 . 1 . . . . . . . . 4959 1 1151 . 1 1 105 105 TYR HA H 1 4.287 0.03 . 1 . . . . . . . . 4959 1 1152 . 1 1 105 105 TYR CB C 13 35.257 0.3 . 1 . . . . . . . . 4959 1 1153 . 1 1 105 105 TYR HB2 H 1 3.131 0.03 . 2 . . . . . . . . 4959 1 1154 . 1 1 105 105 TYR HB3 H 1 2.959 0.03 . 2 . . . . . . . . 4959 1 1155 . 1 1 105 105 TYR CD1 C 13 130.907 0.3 . 1 . . . . . . . . 4959 1 1156 . 1 1 105 105 TYR HD1 H 1 7.101 0.03 . 1 . . . . . . . . 4959 1 1157 . 1 1 105 105 TYR CD2 C 13 130.907 0.3 . 1 . . . . . . . . 4959 1 1158 . 1 1 105 105 TYR HD2 H 1 7.101 0.03 . 1 . . . . . . . . 4959 1 1159 . 1 1 105 105 TYR CE1 C 13 116.087 0.3 . 1 . . . . . . . . 4959 1 1160 . 1 1 105 105 TYR HE1 H 1 6.829 0.03 . 1 . . . . . . . . 4959 1 1161 . 1 1 105 105 TYR CE2 C 13 116.087 0.3 . 1 . . . . . . . . 4959 1 1162 . 1 1 105 105 TYR HE2 H 1 6.829 0.03 . 1 . . . . . . . . 4959 1 1163 . 1 1 105 105 TYR C C 13 174.539 0.3 . 1 . . . . . . . . 4959 1 1164 . 1 1 106 106 ALA N N 15 122.815 0.2 . 1 . . . . . . . . 4959 1 1165 . 1 1 106 106 ALA H H 1 7.260 0.03 . 1 . . . . . . . . 4959 1 1166 . 1 1 106 106 ALA CA C 13 52.129 0.3 . 1 . . . . . . . . 4959 1 1167 . 1 1 106 106 ALA HA H 1 4.013 0.03 . 1 . . . . . . . . 4959 1 1168 . 1 1 106 106 ALA CB C 13 16.435 0.3 . 1 . . . . . . . . 4959 1 1169 . 1 1 106 106 ALA HB1 H 1 1.351 0.03 . 1 . . . . . . . . 4959 1 1170 . 1 1 106 106 ALA HB2 H 1 1.351 0.03 . 1 . . . . . . . . 4959 1 1171 . 1 1 106 106 ALA HB3 H 1 1.351 0.03 . 1 . . . . . . . . 4959 1 1172 . 1 1 106 106 ALA C C 13 176.734 0.3 . 1 . . . . . . . . 4959 1 1173 . 1 1 107 107 VAL N N 15 115.882 0.2 . 1 . . . . . . . . 4959 1 1174 . 1 1 107 107 VAL H H 1 7.284 0.03 . 1 . . . . . . . . 4959 1 1175 . 1 1 107 107 VAL CA C 13 62.348 0.3 . 1 . . . . . . . . 4959 1 1176 . 1 1 107 107 VAL HA H 1 3.918 0.03 . 1 . . . . . . . . 4959 1 1177 . 1 1 107 107 VAL CB C 13 30.040 0.3 . 1 . . . . . . . . 4959 1 1178 . 1 1 107 107 VAL HB H 1 2.161 0.03 . 1 . . . . . . . . 4959 1 1179 . 1 1 107 107 VAL CG1 C 13 19.619 0.3 . 2 . . . . . . . . 4959 1 1180 . 1 1 107 107 VAL HG11 H 1 1.004 0.03 . 2 . . . . . . . . 4959 1 1181 . 1 1 107 107 VAL HG12 H 1 1.004 0.03 . 2 . . . . . . . . 4959 1 1182 . 1 1 107 107 VAL HG13 H 1 1.004 0.03 . 2 . . . . . . . . 4959 1 1183 . 1 1 107 107 VAL CG2 C 13 20.767 0.3 . 2 . . . . . . . . 4959 1 1184 . 1 1 107 107 VAL HG21 H 1 0.983 0.03 . 2 . . . . . . . . 4959 1 1185 . 1 1 107 107 VAL HG22 H 1 0.983 0.03 . 2 . . . . . . . . 4959 1 1186 . 1 1 107 107 VAL HG23 H 1 0.983 0.03 . 2 . . . . . . . . 4959 1 1187 . 1 1 107 107 VAL C C 13 175.492 0.3 . 1 . . . . . . . . 4959 1 1188 . 1 1 108 108 GLN N N 15 119.848 0.2 . 1 . . . . . . . . 4959 1 1189 . 1 1 108 108 GLN H H 1 8.367 0.03 . 1 . . . . . . . . 4959 1 1190 . 1 1 108 108 GLN CA C 13 57.130 0.3 . 1 . . . . . . . . 4959 1 1191 . 1 1 108 108 GLN HA H 1 3.872 0.03 . 1 . . . . . . . . 4959 1 1192 . 1 1 108 108 GLN CB C 13 26.584 0.3 . 1 . . . . . . . . 4959 1 1193 . 1 1 108 108 GLN HB2 H 1 2.130 0.03 . 1 . . . . . . . . 4959 1 1194 . 1 1 108 108 GLN HB3 H 1 2.130 0.03 . 1 . . . . . . . . 4959 1 1195 . 1 1 108 108 GLN CG C 13 31.998 0.3 . 1 . . . . . . . . 4959 1 1196 . 1 1 108 108 GLN HG2 H 1 2.363 0.03 . 1 . . . . . . . . 4959 1 1197 . 1 1 108 108 GLN HG3 H 1 2.363 0.03 . 1 . . . . . . . . 4959 1 1198 . 1 1 108 108 GLN C C 13 177.184 0.3 . 1 . . . . . . . . 4959 1 1199 . 1 1 109 109 THR N N 15 112.667 0.2 . 1 . . . . . . . . 4959 1 1200 . 1 1 109 109 THR H H 1 7.765 0.03 . 1 . . . . . . . . 4959 1 1201 . 1 1 109 109 THR CA C 13 62.348 0.3 . 1 . . . . . . . . 4959 1 1202 . 1 1 109 109 THR HA H 1 4.099 0.03 . 1 . . . . . . . . 4959 1 1203 . 1 1 109 109 THR CB C 13 66.895 0.3 . 1 . . . . . . . . 4959 1 1204 . 1 1 109 109 THR HB H 1 4.145 0.03 . 1 . . . . . . . . 4959 1 1205 . 1 1 109 109 THR CG2 C 13 19.070 0.3 . 1 . . . . . . . . 4959 1 1206 . 1 1 109 109 THR HG21 H 1 1.197 0.03 . 1 . . . . . . . . 4959 1 1207 . 1 1 109 109 THR HG22 H 1 1.197 0.03 . 1 . . . . . . . . 4959 1 1208 . 1 1 109 109 THR HG23 H 1 1.197 0.03 . 1 . . . . . . . . 4959 1 1209 . 1 1 109 109 THR C C 13 173.963 0.3 . 1 . . . . . . . . 4959 1 1210 . 1 1 110 110 LEU N N 15 123.321 0.2 . 1 . . . . . . . . 4959 1 1211 . 1 1 110 110 LEU H H 1 7.479 0.03 . 1 . . . . . . . . 4959 1 1212 . 1 1 110 110 LEU CA C 13 54.042 0.3 . 1 . . . . . . . . 4959 1 1213 . 1 1 110 110 LEU HA H 1 4.361 0.03 . 1 . . . . . . . . 4959 1 1214 . 1 1 110 110 LEU CB C 13 38.525 0.3 . 1 . . . . . . . . 4959 1 1215 . 1 1 110 110 LEU HB2 H 1 2.182 0.03 . 2 . . . . . . . . 4959 1 1216 . 1 1 110 110 LEU HB3 H 1 1.430 0.03 . 2 . . . . . . . . 4959 1 1217 . 1 1 110 110 LEU CG C 13 24.534 0.3 . 1 . . . . . . . . 4959 1 1218 . 1 1 110 110 LEU HG H 1 1.974 0.03 . 1 . . . . . . . . 4959 1 1219 . 1 1 110 110 LEU CD1 C 13 20.841 0.3 . 2 . . . . . . . . 4959 1 1220 . 1 1 110 110 LEU HD11 H 1 1.099 0.03 . 2 . . . . . . . . 4959 1 1221 . 1 1 110 110 LEU HD12 H 1 1.099 0.03 . 2 . . . . . . . . 4959 1 1222 . 1 1 110 110 LEU HD13 H 1 1.099 0.03 . 2 . . . . . . . . 4959 1 1223 . 1 1 110 110 LEU CD2 C 13 24.712 0.3 . 2 . . . . . . . . 4959 1 1224 . 1 1 110 110 LEU HD21 H 1 1.078 0.03 . 2 . . . . . . . . 4959 1 1225 . 1 1 110 110 LEU HD22 H 1 1.078 0.03 . 2 . . . . . . . . 4959 1 1226 . 1 1 110 110 LEU HD23 H 1 1.078 0.03 . 2 . . . . . . . . 4959 1 1227 . 1 1 110 110 LEU C C 13 172.930 0.3 . 1 . . . . . . . . 4959 1 1228 . 1 1 111 111 LYS N N 15 118.415 0.2 . 1 . . . . . . . . 4959 1 1229 . 1 1 111 111 LYS H H 1 7.571 0.03 . 1 . . . . . . . . 4959 1 1230 . 1 1 111 111 LYS CA C 13 57.043 0.3 . 1 . . . . . . . . 4959 1 1231 . 1 1 111 111 LYS HA H 1 4.149 0.03 . 1 . . . . . . . . 4959 1 1232 . 1 1 111 111 LYS CB C 13 29.619 0.3 . 1 . . . . . . . . 4959 1 1233 . 1 1 111 111 LYS HB2 H 1 1.910 0.03 . 1 . . . . . . . . 4959 1 1234 . 1 1 111 111 LYS HB3 H 1 1.910 0.03 . 1 . . . . . . . . 4959 1 1235 . 1 1 111 111 LYS CG C 13 23.283 0.3 . 1 . . . . . . . . 4959 1 1236 . 1 1 111 111 LYS HG2 H 1 1.464 0.03 . 1 . . . . . . . . 4959 1 1237 . 1 1 111 111 LYS HG3 H 1 1.464 0.03 . 1 . . . . . . . . 4959 1 1238 . 1 1 111 111 LYS CD C 13 27.390 0.3 . 1 . . . . . . . . 4959 1 1239 . 1 1 111 111 LYS HD2 H 1 1.740 0.03 . 1 . . . . . . . . 4959 1 1240 . 1 1 111 111 LYS HD3 H 1 1.740 0.03 . 1 . . . . . . . . 4959 1 1241 . 1 1 111 111 LYS CE C 13 39.934 0.3 . 1 . . . . . . . . 4959 1 1242 . 1 1 111 111 LYS HE2 H 1 2.995 0.03 . 1 . . . . . . . . 4959 1 1243 . 1 1 111 111 LYS HE3 H 1 2.995 0.03 . 1 . . . . . . . . 4959 1 1244 . 1 1 111 111 LYS C C 13 173.351 0.3 . 1 . . . . . . . . 4959 1 1245 . 1 1 112 112 ASP N N 15 116.859 0.2 . 1 . . . . . . . . 4959 1 1246 . 1 1 112 112 ASP H H 1 7.296 0.03 . 1 . . . . . . . . 4959 1 1247 . 1 1 112 112 ASP CA C 13 51.086 0.3 . 1 . . . . . . . . 4959 1 1248 . 1 1 112 112 ASP HA H 1 4.971 0.03 . 1 . . . . . . . . 4959 1 1249 . 1 1 112 112 ASP CB C 13 39.897 0.3 . 1 . . . . . . . . 4959 1 1250 . 1 1 112 112 ASP HB2 H 1 2.531 0.03 . 2 . . . . . . . . 4959 1 1251 . 1 1 112 112 ASP HB3 H 1 2.959 0.03 . 2 . . . . . . . . 4959 1 1252 . 1 1 112 112 ASP C C 13 173.531 0.3 . 1 . . . . . . . . 4959 1 1253 . 1 1 113 113 PHE N N 15 125.619 0.2 . 1 . . . . . . . . 4959 1 1254 . 1 1 113 113 PHE H H 1 7.426 0.03 . 1 . . . . . . . . 4959 1 1255 . 1 1 113 113 PHE CA C 13 57.913 0.3 . 1 . . . . . . . . 4959 1 1256 . 1 1 113 113 PHE HA H 1 4.164 0.03 . 1 . . . . . . . . 4959 1 1257 . 1 1 113 113 PHE CB C 13 39.117 0.3 . 1 . . . . . . . . 4959 1 1258 . 1 1 113 113 PHE HB2 H 1 3.249 0.03 . 2 . . . . . . . . 4959 1 1259 . 1 1 113 113 PHE HB3 H 1 2.991 0.03 . 2 . . . . . . . . 4959 1 1260 . 1 1 113 113 PHE CD1 C 13 130.241 0.3 . 1 . . . . . . . . 4959 1 1261 . 1 1 113 113 PHE HD1 H 1 7.347 0.03 . 1 . . . . . . . . 4959 1 1262 . 1 1 113 113 PHE CD2 C 13 130.241 0.3 . 1 . . . . . . . . 4959 1 1263 . 1 1 113 113 PHE HD2 H 1 7.347 0.03 . 1 . . . . . . . . 4959 1 1264 . 1 1 113 113 PHE CE1 C 13 128.802 0.3 . 1 . . . . . . . . 4959 1 1265 . 1 1 113 113 PHE HE1 H 1 7.475 0.03 . 1 . . . . . . . . 4959 1 1266 . 1 1 113 113 PHE CE2 C 13 128.802 0.3 . 1 . . . . . . . . 4959 1 1267 . 1 1 113 113 PHE HE2 H 1 7.475 0.03 . 1 . . . . . . . . 4959 1 1268 . 1 1 113 113 PHE C C 13 171.948 0.3 . 1 . . . . . . . . 4959 1 1269 . 1 1 114 114 GLN N N 15 126.694 0.2 . 1 . . . . . . . . 4959 1 1270 . 1 1 114 114 GLN H H 1 7.977 0.03 . 1 . . . . . . . . 4959 1 1271 . 1 1 114 114 GLN CA C 13 51.694 0.3 . 1 . . . . . . . . 4959 1 1272 . 1 1 114 114 GLN HA H 1 4.570 0.03 . 1 . . . . . . . . 4959 1 1273 . 1 1 114 114 GLN CB C 13 30.074 0.3 . 1 . . . . . . . . 4959 1 1274 . 1 1 114 114 GLN HB2 H 1 1.938 0.03 . 2 . . . . . . . . 4959 1 1275 . 1 1 114 114 GLN CG C 13 30.959 0.3 . 1 . . . . . . . . 4959 1 1276 . 1 1 114 114 GLN HG2 H 1 2.354 0.03 . 2 . . . . . . . . 4959 1 1277 . 1 1 114 114 GLN C C 13 173.855 0.3 . 1 . . . . . . . . 4959 1 1278 . 1 1 115 115 TYR N N 15 121.652 0.2 . 1 . . . . . . . . 4959 1 1279 . 1 1 115 115 TYR H H 1 9.361 0.03 . 1 . . . . . . . . 4959 1 1280 . 1 1 115 115 TYR CA C 13 59.087 0.3 . 1 . . . . . . . . 4959 1 1281 . 1 1 115 115 TYR HA H 1 4.412 0.03 . 1 . . . . . . . . 4959 1 1282 . 1 1 115 115 TYR CB C 13 38.531 0.3 . 1 . . . . . . . . 4959 1 1283 . 1 1 115 115 TYR HB2 H 1 3.563 0.03 . 2 . . . . . . . . 4959 1 1284 . 1 1 115 115 TYR HB3 H 1 3.901 0.03 . 2 . . . . . . . . 4959 1 1285 . 1 1 115 115 TYR CD1 C 13 130.717 0.3 . 1 . . . . . . . . 4959 1 1286 . 1 1 115 115 TYR HD1 H 1 6.828 0.03 . 1 . . . . . . . . 4959 1 1287 . 1 1 115 115 TYR CD2 C 13 130.717 0.3 . 1 . . . . . . . . 4959 1 1288 . 1 1 115 115 TYR HD2 H 1 6.828 0.03 . 1 . . . . . . . . 4959 1 1289 . 1 1 115 115 TYR CE1 C 13 115.242 0.3 . 1 . . . . . . . . 4959 1 1290 . 1 1 115 115 TYR HE1 H 1 6.895 0.03 . 1 . . . . . . . . 4959 1 1291 . 1 1 115 115 TYR CE2 C 13 115.242 0.3 . 1 . . . . . . . . 4959 1 1292 . 1 1 115 115 TYR HE2 H 1 6.895 0.03 . 1 . . . . . . . . 4959 1 1293 . 1 1 115 115 TYR C C 13 170.004 0.3 . 1 . . . . . . . . 4959 1 1294 . 1 1 116 116 VAL N N 15 133.713 0.2 . 1 . . . . . . . . 4959 1 1295 . 1 1 116 116 VAL H H 1 7.741 0.03 . 1 . . . . . . . . 4959 1 1296 . 1 1 116 116 VAL CA C 13 58.434 0.3 . 1 . . . . . . . . 4959 1 1297 . 1 1 116 116 VAL HA H 1 4.363 0.03 . 1 . . . . . . . . 4959 1 1298 . 1 1 116 116 VAL CB C 13 30.617 0.3 . 1 . . . . . . . . 4959 1 1299 . 1 1 116 116 VAL HB H 1 1.621 0.03 . 1 . . . . . . . . 4959 1 1300 . 1 1 116 116 VAL CG1 C 13 18.782 0.3 . 2 . . . . . . . . 4959 1 1301 . 1 1 116 116 VAL HG11 H 1 0.739 0.03 . 2 . . . . . . . . 4959 1 1302 . 1 1 116 116 VAL HG12 H 1 0.739 0.03 . 2 . . . . . . . . 4959 1 1303 . 1 1 116 116 VAL HG13 H 1 0.739 0.03 . 2 . . . . . . . . 4959 1 1304 . 1 1 116 116 VAL CG2 C 13 18.389 0.3 . 2 . . . . . . . . 4959 1 1305 . 1 1 116 116 VAL HG21 H 1 0.699 0.03 . 2 . . . . . . . . 4959 1 1306 . 1 1 116 116 VAL HG22 H 1 0.699 0.03 . 2 . . . . . . . . 4959 1 1307 . 1 1 116 116 VAL HG23 H 1 0.699 0.03 . 2 . . . . . . . . 4959 1 1308 . 1 1 116 116 VAL C C 13 172.218 0.3 . 1 . . . . . . . . 4959 1 1309 . 1 1 117 117 ASP N N 15 126.738 0.2 . 1 . . . . . . . . 4959 1 1310 . 1 1 117 117 ASP H H 1 8.228 0.03 . 1 . . . . . . . . 4959 1 1311 . 1 1 117 117 ASP CA C 13 50.651 0.3 . 1 . . . . . . . . 4959 1 1312 . 1 1 117 117 ASP HA H 1 4.216 0.03 . 1 . . . . . . . . 4959 1 1313 . 1 1 117 117 ASP CB C 13 40.115 0.3 . 1 . . . . . . . . 4959 1 1314 . 1 1 117 117 ASP HB2 H 1 2.600 0.03 . 2 . . . . . . . . 4959 1 1315 . 1 1 117 117 ASP HB3 H 1 3.616 0.03 . 2 . . . . . . . . 4959 1 1316 . 1 1 117 117 ASP C C 13 175.996 0.3 . 1 . . . . . . . . 4959 1 1317 . 1 1 118 118 ARG N N 15 118.302 0.2 . 1 . . . . . . . . 4959 1 1318 . 1 1 118 118 ARG H H 1 8.392 0.03 . 1 . . . . . . . . 4959 1 1319 . 1 1 118 118 ARG CA C 13 56.086 0.3 . 1 . . . . . . . . 4959 1 1320 . 1 1 118 118 ARG HA H 1 4.114 0.03 . 1 . . . . . . . . 4959 1 1321 . 1 1 118 118 ARG CB C 13 27.494 0.3 . 1 . . . . . . . . 4959 1 1322 . 1 1 118 118 ARG HB2 H 1 1.954 0.03 . 2 . . . . . . . . 4959 1 1323 . 1 1 118 118 ARG CG C 13 24.542 0.3 . 1 . . . . . . . . 4959 1 1324 . 1 1 118 118 ARG HG2 H 1 1.740 0.03 . 2 . . . . . . . . 4959 1 1325 . 1 1 118 118 ARG CD C 13 41.203 0.3 . 1 . . . . . . . . 4959 1 1326 . 1 1 118 118 ARG HD2 H 1 3.285 0.03 . 2 . . . . . . . . 4959 1 1327 . 1 1 118 118 ARG C C 13 174.791 0.3 . 1 . . . . . . . . 4959 1 1328 . 1 1 119 119 ASP N N 15 120.016 0.2 . 1 . . . . . . . . 4959 1 1329 . 1 1 119 119 ASP H H 1 8.080 0.03 . 1 . . . . . . . . 4959 1 1330 . 1 1 119 119 ASP CA C 13 51.955 0.3 . 1 . . . . . . . . 4959 1 1331 . 1 1 119 119 ASP HA H 1 4.798 0.03 . 1 . . . . . . . . 4959 1 1332 . 1 1 119 119 ASP CB C 13 39.399 0.3 . 1 . . . . . . . . 4959 1 1333 . 1 1 119 119 ASP HB2 H 1 2.720 0.03 . 2 . . . . . . . . 4959 1 1334 . 1 1 119 119 ASP HB3 H 1 2.869 0.03 . 2 . . . . . . . . 4959 1 1335 . 1 1 119 119 ASP C C 13 174.089 0.3 . 1 . . . . . . . . 4959 1 1336 . 1 1 120 120 GLY N N 15 110.212 0.2 . 1 . . . . . . . . 4959 1 1337 . 1 1 120 120 GLY H H 1 8.211 0.03 . 1 . . . . . . . . 4959 1 1338 . 1 1 120 120 GLY CA C 13 43.041 0.3 . 1 . . . . . . . . 4959 1 1339 . 1 1 120 120 GLY HA2 H 1 4.105 0.03 . 2 . . . . . . . . 4959 1 1340 . 1 1 120 120 GLY HA3 H 1 3.413 0.03 . 2 . . . . . . . . 4959 1 1341 . 1 1 120 120 GLY C C 13 171.894 0.3 . 1 . . . . . . . . 4959 1 1342 . 1 1 121 121 LYS N N 15 124.115 0.2 . 1 . . . . . . . . 4959 1 1343 . 1 1 121 121 LYS H H 1 8.271 0.03 . 1 . . . . . . . . 4959 1 1344 . 1 1 121 121 LYS CA C 13 53.173 0.3 . 1 . . . . . . . . 4959 1 1345 . 1 1 121 121 LYS HA H 1 4.244 0.03 . 1 . . . . . . . . 4959 1 1346 . 1 1 121 121 LYS CB C 13 30.422 0.3 . 1 . . . . . . . . 4959 1 1347 . 1 1 121 121 LYS HB2 H 1 1.714 0.03 . 1 . . . . . . . . 4959 1 1348 . 1 1 121 121 LYS HB3 H 1 1.714 0.03 . 1 . . . . . . . . 4959 1 1349 . 1 1 121 121 LYS CG C 13 22.818 0.3 . 1 . . . . . . . . 4959 1 1350 . 1 1 121 121 LYS HG2 H 1 1.261 0.03 . 2 . . . . . . . . 4959 1 1351 . 1 1 121 121 LYS HG3 H 1 1.114 0.03 . 2 . . . . . . . . 4959 1 1352 . 1 1 121 121 LYS CD C 13 26.661 0.3 . 1 . . . . . . . . 4959 1 1353 . 1 1 121 121 LYS HD2 H 1 1.622 0.03 . 1 . . . . . . . . 4959 1 1354 . 1 1 121 121 LYS HD3 H 1 1.622 0.03 . 1 . . . . . . . . 4959 1 1355 . 1 1 121 121 LYS CE C 13 40.029 0.3 . 1 . . . . . . . . 4959 1 1356 . 1 1 121 121 LYS HE2 H 1 2.948 0.03 . 1 . . . . . . . . 4959 1 1357 . 1 1 121 121 LYS HE3 H 1 2.948 0.03 . 1 . . . . . . . . 4959 1 1358 . 1 1 121 121 LYS C C 13 173.549 0.3 . 1 . . . . . . . . 4959 1 1359 . 1 1 122 122 ASP N N 15 125.878 0.2 . 1 . . . . . . . . 4959 1 1360 . 1 1 122 122 ASP H H 1 8.638 0.03 . 1 . . . . . . . . 4959 1 1361 . 1 1 122 122 ASP CA C 13 51.433 0.3 . 1 . . . . . . . . 4959 1 1362 . 1 1 122 122 ASP HA H 1 4.577 0.03 . 1 . . . . . . . . 4959 1 1363 . 1 1 122 122 ASP CB C 13 37.345 0.3 . 1 . . . . . . . . 4959 1 1364 . 1 1 122 122 ASP HB2 H 1 2.952 0.03 . 2 . . . . . . . . 4959 1 1365 . 1 1 122 122 ASP HB3 H 1 2.546 0.03 . 2 . . . . . . . . 4959 1 1366 . 1 1 122 122 ASP C C 13 173.693 0.3 . 1 . . . . . . . . 4959 1 1367 . 1 1 123 123 GLN N N 15 125.614 0.2 . 1 . . . . . . . . 4959 1 1368 . 1 1 123 123 GLN H H 1 7.747 0.03 . 1 . . . . . . . . 4959 1 1369 . 1 1 123 123 GLN CA C 13 52.434 0.3 . 1 . . . . . . . . 4959 1 1370 . 1 1 123 123 GLN HA H 1 4.410 0.03 . 1 . . . . . . . . 4959 1 1371 . 1 1 123 123 GLN CB C 13 24.822 0.3 . 1 . . . . . . . . 4959 1 1372 . 1 1 123 123 GLN HB2 H 1 0.465 0.03 . 2 . . . . . . . . 4959 1 1373 . 1 1 123 123 GLN HB3 H 1 0.733 0.03 . 2 . . . . . . . . 4959 1 1374 . 1 1 123 123 GLN CG C 13 28.115 0.3 . 1 . . . . . . . . 4959 1 1375 . 1 1 123 123 GLN HG2 H 1 2.164 0.03 . 2 . . . . . . . . 4959 1 1376 . 1 1 123 123 GLN C C 13 176.428 0.3 . 1 . . . . . . . . 4959 1 1377 . 1 1 124 124 GLY N N 15 110.356 0.2 . 1 . . . . . . . . 4959 1 1378 . 1 1 124 124 GLY H H 1 9.113 0.03 . 1 . . . . . . . . 4959 1 1379 . 1 1 124 124 GLY CA C 13 45.520 0.3 . 1 . . . . . . . . 4959 1 1380 . 1 1 124 124 GLY HA2 H 1 3.955 0.03 . 2 . . . . . . . . 4959 1 1381 . 1 1 124 124 GLY HA3 H 1 4.491 0.03 . 2 . . . . . . . . 4959 1 1382 . 1 1 124 124 GLY C C 13 173.279 0.3 . 1 . . . . . . . . 4959 1 1383 . 1 1 125 125 VAL N N 15 124.450 0.2 . 1 . . . . . . . . 4959 1 1384 . 1 1 125 125 VAL H H 1 8.097 0.03 . 1 . . . . . . . . 4959 1 1385 . 1 1 125 125 VAL CA C 13 62.783 0.3 . 1 . . . . . . . . 4959 1 1386 . 1 1 125 125 VAL HA H 1 3.724 0.03 . 1 . . . . . . . . 4959 1 1387 . 1 1 125 125 VAL CB C 13 29.257 0.3 . 1 . . . . . . . . 4959 1 1388 . 1 1 125 125 VAL HB H 1 2.053 0.03 . 1 . . . . . . . . 4959 1 1389 . 1 1 125 125 VAL CG1 C 13 16.506 0.3 . 2 . . . . . . . . 4959 1 1390 . 1 1 125 125 VAL HG11 H 1 0.719 0.03 . 2 . . . . . . . . 4959 1 1391 . 1 1 125 125 VAL HG12 H 1 0.719 0.03 . 2 . . . . . . . . 4959 1 1392 . 1 1 125 125 VAL HG13 H 1 0.719 0.03 . 2 . . . . . . . . 4959 1 1393 . 1 1 125 125 VAL CG2 C 13 19.948 0.3 . 2 . . . . . . . . 4959 1 1394 . 1 1 125 125 VAL HG21 H 1 1.000 0.03 . 2 . . . . . . . . 4959 1 1395 . 1 1 125 125 VAL HG22 H 1 1.000 0.03 . 2 . . . . . . . . 4959 1 1396 . 1 1 125 125 VAL HG23 H 1 1.000 0.03 . 2 . . . . . . . . 4959 1 1397 . 1 1 125 125 VAL C C 13 172.937 0.3 . 1 . . . . . . . . 4959 1 1398 . 1 1 126 126 ASN N N 15 118.380 0.2 . 1 . . . . . . . . 4959 1 1399 . 1 1 126 126 ASN H H 1 7.097 0.03 . 1 . . . . . . . . 4959 1 1400 . 1 1 126 126 ASN CA C 13 54.173 0.3 . 1 . . . . . . . . 4959 1 1401 . 1 1 126 126 ASN HA H 1 4.407 0.03 . 1 . . . . . . . . 4959 1 1402 . 1 1 126 126 ASN CB C 13 36.823 0.3 . 1 . . . . . . . . 4959 1 1403 . 1 1 126 126 ASN HB2 H 1 2.358 0.03 . 2 . . . . . . . . 4959 1 1404 . 1 1 126 126 ASN HB3 H 1 2.392 0.03 . 2 . . . . . . . . 4959 1 1405 . 1 1 126 126 ASN C C 13 175.834 0.3 . 1 . . . . . . . . 4959 1 1406 . 1 1 127 127 VAL N N 15 120.169 0.2 . 1 . . . . . . . . 4959 1 1407 . 1 1 127 127 VAL H H 1 7.048 0.03 . 1 . . . . . . . . 4959 1 1408 . 1 1 127 127 VAL CA C 13 64.000 0.3 . 1 . . . . . . . . 4959 1 1409 . 1 1 127 127 VAL HA H 1 3.595 0.03 . 1 . . . . . . . . 4959 1 1410 . 1 1 127 127 VAL CB C 13 29.953 0.3 . 1 . . . . . . . . 4959 1 1411 . 1 1 127 127 VAL HB H 1 2.221 0.03 . 1 . . . . . . . . 4959 1 1412 . 1 1 127 127 VAL CG1 C 13 20.781 0.3 . 2 . . . . . . . . 4959 1 1413 . 1 1 127 127 VAL HG11 H 1 0.797 0.03 . 2 . . . . . . . . 4959 1 1414 . 1 1 127 127 VAL HG12 H 1 0.797 0.03 . 2 . . . . . . . . 4959 1 1415 . 1 1 127 127 VAL HG13 H 1 0.797 0.03 . 2 . . . . . . . . 4959 1 1416 . 1 1 127 127 VAL CG2 C 13 19.612 0.3 . 2 . . . . . . . . 4959 1 1417 . 1 1 127 127 VAL HG21 H 1 0.654 0.03 . 2 . . . . . . . . 4959 1 1418 . 1 1 127 127 VAL HG22 H 1 0.654 0.03 . 2 . . . . . . . . 4959 1 1419 . 1 1 127 127 VAL HG23 H 1 0.654 0.03 . 2 . . . . . . . . 4959 1 1420 . 1 1 127 127 VAL C C 13 174.413 0.3 . 1 . . . . . . . . 4959 1 1421 . 1 1 128 128 ARG N N 15 119.893 0.2 . 1 . . . . . . . . 4959 1 1422 . 1 1 128 128 ARG H H 1 8.340 0.03 . 1 . . . . . . . . 4959 1 1423 . 1 1 128 128 ARG CA C 13 58.652 0.3 . 1 . . . . . . . . 4959 1 1424 . 1 1 128 128 ARG HA H 1 4.177 0.03 . 1 . . . . . . . . 4959 1 1425 . 1 1 128 128 ARG CB C 13 29.518 0.3 . 1 . . . . . . . . 4959 1 1426 . 1 1 128 128 ARG HB2 H 1 1.815 0.03 . 2 . . . . . . . . 4959 1 1427 . 1 1 128 128 ARG C C 13 177.615 0.3 . 1 . . . . . . . . 4959 1 1428 . 1 1 129 129 GLU N N 15 117.153 0.2 . 1 . . . . . . . . 4959 1 1429 . 1 1 129 129 GLU H H 1 8.362 0.03 . 1 . . . . . . . . 4959 1 1430 . 1 1 129 129 GLU CA C 13 56.825 0.3 . 1 . . . . . . . . 4959 1 1431 . 1 1 129 129 GLU HA H 1 4.084 0.03 . 1 . . . . . . . . 4959 1 1432 . 1 1 129 129 GLU CB C 13 27.083 0.3 . 1 . . . . . . . . 4959 1 1433 . 1 1 129 129 GLU HB2 H 1 2.127 0.03 . 1 . . . . . . . . 4959 1 1434 . 1 1 129 129 GLU HB3 H 1 2.127 0.03 . 1 . . . . . . . . 4959 1 1435 . 1 1 129 129 GLU CG C 13 34.428 0.3 . 1 . . . . . . . . 4959 1 1436 . 1 1 129 129 GLU HG2 H 1 2.449 0.03 . 1 . . . . . . . . 4959 1 1437 . 1 1 129 129 GLU HG3 H 1 2.449 0.03 . 1 . . . . . . . . 4959 1 1438 . 1 1 129 129 GLU C C 13 177.202 0.3 . 1 . . . . . . . . 4959 1 1439 . 1 1 130 130 LYS N N 15 121.950 0.2 . 1 . . . . . . . . 4959 1 1440 . 1 1 130 130 LYS H H 1 7.487 0.03 . 1 . . . . . . . . 4959 1 1441 . 1 1 130 130 LYS CA C 13 55.043 0.3 . 1 . . . . . . . . 4959 1 1442 . 1 1 130 130 LYS HA H 1 4.315 0.03 . 1 . . . . . . . . 4959 1 1443 . 1 1 130 130 LYS CB C 13 28.735 0.3 . 1 . . . . . . . . 4959 1 1444 . 1 1 130 130 LYS HB2 H 1 2.103 0.03 . 2 . . . . . . . . 4959 1 1445 . 1 1 130 130 LYS C C 13 175.672 0.3 . 1 . . . . . . . . 4959 1 1446 . 1 1 131 131 ALA N N 15 124.159 0.2 . 1 . . . . . . . . 4959 1 1447 . 1 1 131 131 ALA H H 1 8.677 0.03 . 1 . . . . . . . . 4959 1 1448 . 1 1 131 131 ALA CA C 13 53.477 0.3 . 1 . . . . . . . . 4959 1 1449 . 1 1 131 131 ALA HA H 1 3.974 0.03 . 1 . . . . . . . . 4959 1 1450 . 1 1 131 131 ALA CB C 13 15.951 0.3 . 1 . . . . . . . . 4959 1 1451 . 1 1 131 131 ALA HB1 H 1 1.388 0.03 . 1 . . . . . . . . 4959 1 1452 . 1 1 131 131 ALA HB2 H 1 1.388 0.03 . 1 . . . . . . . . 4959 1 1453 . 1 1 131 131 ALA HB3 H 1 1.388 0.03 . 1 . . . . . . . . 4959 1 1454 . 1 1 131 131 ALA C C 13 177.166 0.3 . 1 . . . . . . . . 4959 1 1455 . 1 1 132 132 LYS N N 15 117.516 0.2 . 1 . . . . . . . . 4959 1 1456 . 1 1 132 132 LYS H H 1 7.604 0.03 . 1 . . . . . . . . 4959 1 1457 . 1 1 132 132 LYS CA C 13 57.913 0.3 . 1 . . . . . . . . 4959 1 1458 . 1 1 132 132 LYS HA H 1 3.853 0.03 . 1 . . . . . . . . 4959 1 1459 . 1 1 132 132 LYS CB C 13 30.562 0.3 . 1 . . . . . . . . 4959 1 1460 . 1 1 132 132 LYS HB2 H 1 2.016 0.03 . 1 . . . . . . . . 4959 1 1461 . 1 1 132 132 LYS HB3 H 1 2.016 0.03 . 1 . . . . . . . . 4959 1 1462 . 1 1 132 132 LYS CG C 13 23.347 0.3 . 1 . . . . . . . . 4959 1 1463 . 1 1 132 132 LYS HG2 H 1 1.757 0.03 . 1 . . . . . . . . 4959 1 1464 . 1 1 132 132 LYS HG3 H 1 1.757 0.03 . 1 . . . . . . . . 4959 1 1465 . 1 1 132 132 LYS CD C 13 27.302 0.3 . 1 . . . . . . . . 4959 1 1466 . 1 1 132 132 LYS HD2 H 1 1.773 0.03 . 1 . . . . . . . . 4959 1 1467 . 1 1 132 132 LYS HD3 H 1 1.773 0.03 . 1 . . . . . . . . 4959 1 1468 . 1 1 132 132 LYS CE C 13 39.911 0.3 . 1 . . . . . . . . 4959 1 1469 . 1 1 132 132 LYS HE2 H 1 2.986 0.03 . 1 . . . . . . . . 4959 1 1470 . 1 1 132 132 LYS HE3 H 1 2.986 0.03 . 1 . . . . . . . . 4959 1 1471 . 1 1 132 132 LYS C C 13 175.090 0.3 . 1 . . . . . . . . 4959 1 1472 . 1 1 133 133 GLN N N 15 120.334 0.2 . 1 . . . . . . . . 4959 1 1473 . 1 1 133 133 GLN H H 1 7.514 0.03 . 1 . . . . . . . . 4959 1 1474 . 1 1 133 133 GLN CA C 13 56.434 0.3 . 1 . . . . . . . . 4959 1 1475 . 1 1 133 133 GLN HA H 1 4.112 0.03 . 1 . . . . . . . . 4959 1 1476 . 1 1 133 133 GLN CB C 13 26.126 0.3 . 1 . . . . . . . . 4959 1 1477 . 1 1 133 133 GLN HB2 H 1 2.210 0.03 . 2 . . . . . . . . 4959 1 1478 . 1 1 133 133 GLN HB3 H 1 2.201 0.03 . 2 . . . . . . . . 4959 1 1479 . 1 1 133 133 GLN CG C 13 34.231 0.3 . 1 . . . . . . . . 4959 1 1480 . 1 1 133 133 GLN HG2 H 1 2.341 0.03 . 2 . . . . . . . . 4959 1 1481 . 1 1 133 133 GLN C C 13 176.644 0.3 . 1 . . . . . . . . 4959 1 1482 . 1 1 134 134 LEU N N 15 124.227 0.2 . 1 . . . . . . . . 4959 1 1483 . 1 1 134 134 LEU H H 1 8.544 0.03 . 1 . . . . . . . . 4959 1 1484 . 1 1 134 134 LEU CA C 13 55.521 0.3 . 1 . . . . . . . . 4959 1 1485 . 1 1 134 134 LEU HA H 1 4.094 0.03 . 1 . . . . . . . . 4959 1 1486 . 1 1 134 134 LEU CB C 13 40.302 0.3 . 1 . . . . . . . . 4959 1 1487 . 1 1 134 134 LEU HB2 H 1 1.619 0.03 . 2 . . . . . . . . 4959 1 1488 . 1 1 134 134 LEU HB3 H 1 1.765 0.03 . 2 . . . . . . . . 4959 1 1489 . 1 1 134 134 LEU CG C 13 25.589 0.3 . 1 . . . . . . . . 4959 1 1490 . 1 1 134 134 LEU HG H 1 1.644 0.03 . 1 . . . . . . . . 4959 1 1491 . 1 1 134 134 LEU CD1 C 13 22.148 0.3 . 2 . . . . . . . . 4959 1 1492 . 1 1 134 134 LEU HD11 H 1 0.909 0.03 . 2 . . . . . . . . 4959 1 1493 . 1 1 134 134 LEU HD12 H 1 0.909 0.03 . 2 . . . . . . . . 4959 1 1494 . 1 1 134 134 LEU HD13 H 1 0.909 0.03 . 2 . . . . . . . . 4959 1 1495 . 1 1 134 134 LEU CD2 C 13 22.549 0.3 . 2 . . . . . . . . 4959 1 1496 . 1 1 134 134 LEU HD21 H 1 0.870 0.03 . 2 . . . . . . . . 4959 1 1497 . 1 1 134 134 LEU HD22 H 1 0.870 0.03 . 2 . . . . . . . . 4959 1 1498 . 1 1 134 134 LEU HD23 H 1 0.870 0.03 . 2 . . . . . . . . 4959 1 1499 . 1 1 134 134 LEU C C 13 176.302 0.3 . 1 . . . . . . . . 4959 1 1500 . 1 1 135 135 VAL N N 15 119.684 0.2 . 1 . . . . . . . . 4959 1 1501 . 1 1 135 135 VAL H H 1 8.405 0.03 . 1 . . . . . . . . 4959 1 1502 . 1 1 135 135 VAL CA C 13 65.131 0.3 . 1 . . . . . . . . 4959 1 1503 . 1 1 135 135 VAL HA H 1 3.493 0.03 . 1 . . . . . . . . 4959 1 1504 . 1 1 135 135 VAL CB C 13 29.344 0.3 . 1 . . . . . . . . 4959 1 1505 . 1 1 135 135 VAL HB H 1 2.086 0.03 . 1 . . . . . . . . 4959 1 1506 . 1 1 135 135 VAL CG1 C 13 21.113 0.3 . 2 . . . . . . . . 4959 1 1507 . 1 1 135 135 VAL HG11 H 1 1.009 0.03 . 2 . . . . . . . . 4959 1 1508 . 1 1 135 135 VAL HG12 H 1 1.009 0.03 . 2 . . . . . . . . 4959 1 1509 . 1 1 135 135 VAL HG13 H 1 1.009 0.03 . 2 . . . . . . . . 4959 1 1510 . 1 1 135 135 VAL CG2 C 13 19.303 0.3 . 2 . . . . . . . . 4959 1 1511 . 1 1 135 135 VAL HG21 H 1 0.964 0.03 . 2 . . . . . . . . 4959 1 1512 . 1 1 135 135 VAL HG22 H 1 0.964 0.03 . 2 . . . . . . . . 4959 1 1513 . 1 1 135 135 VAL HG23 H 1 0.964 0.03 . 2 . . . . . . . . 4959 1 1514 . 1 1 135 135 VAL C C 13 175.186 0.3 . 1 . . . . . . . . 4959 1 1515 . 1 1 136 136 ALA N N 15 121.283 0.2 . 1 . . . . . . . . 4959 1 1516 . 1 1 136 136 ALA H H 1 7.374 0.03 . 1 . . . . . . . . 4959 1 1517 . 1 1 136 136 ALA CA C 13 52.955 0.3 . 1 . . . . . . . . 4959 1 1518 . 1 1 136 136 ALA HA H 1 4.066 0.03 . 1 . . . . . . . . 4959 1 1519 . 1 1 136 136 ALA CB C 13 15.690 0.3 . 1 . . . . . . . . 4959 1 1520 . 1 1 136 136 ALA HB1 H 1 1.495 0.03 . 1 . . . . . . . . 4959 1 1521 . 1 1 136 136 ALA HB2 H 1 1.495 0.03 . 1 . . . . . . . . 4959 1 1522 . 1 1 136 136 ALA HB3 H 1 1.495 0.03 . 1 . . . . . . . . 4959 1 1523 . 1 1 136 136 ALA C C 13 177.831 0.3 . 1 . . . . . . . . 4959 1 1524 . 1 1 137 137 LEU N N 15 120.474 0.2 . 1 . . . . . . . . 4959 1 1525 . 1 1 137 137 LEU H H 1 7.707 0.03 . 1 . . . . . . . . 4959 1 1526 . 1 1 137 137 LEU CA C 13 55.390 0.3 . 1 . . . . . . . . 4959 1 1527 . 1 1 137 137 LEU HA H 1 4.186 0.03 . 1 . . . . . . . . 4959 1 1528 . 1 1 137 137 LEU CB C 13 40.128 0.3 . 1 . . . . . . . . 4959 1 1529 . 1 1 137 137 LEU HB2 H 1 1.992 0.03 . 2 . . . . . . . . 4959 1 1530 . 1 1 137 137 LEU HB3 H 1 1.821 0.03 . 2 . . . . . . . . 4959 1 1531 . 1 1 137 137 LEU CG C 13 25.000 0.3 . 1 . . . . . . . . 4959 1 1532 . 1 1 137 137 LEU HG H 1 1.672 0.03 . 1 . . . . . . . . 4959 1 1533 . 1 1 137 137 LEU CD1 C 13 22.026 0.3 . 2 . . . . . . . . 4959 1 1534 . 1 1 137 137 LEU HD11 H 1 0.959 0.03 . 2 . . . . . . . . 4959 1 1535 . 1 1 137 137 LEU HD12 H 1 0.959 0.03 . 2 . . . . . . . . 4959 1 1536 . 1 1 137 137 LEU HD13 H 1 0.959 0.03 . 2 . . . . . . . . 4959 1 1537 . 1 1 137 137 LEU CD2 C 13 23.726 0.3 . 2 . . . . . . . . 4959 1 1538 . 1 1 137 137 LEU HD21 H 1 0.939 0.03 . 2 . . . . . . . . 4959 1 1539 . 1 1 137 137 LEU HD22 H 1 0.939 0.03 . 2 . . . . . . . . 4959 1 1540 . 1 1 137 137 LEU HD23 H 1 0.939 0.03 . 2 . . . . . . . . 4959 1 1541 . 1 1 137 137 LEU C C 13 176.727 0.3 . 1 . . . . . . . . 4959 1 1542 . 1 1 138 138 LEU N N 15 119.274 0.2 . 1 . . . . . . . . 4959 1 1543 . 1 1 138 138 LEU H H 1 7.984 0.03 . 1 . . . . . . . . 4959 1 1544 . 1 1 138 138 LEU CA C 13 54.303 0.3 . 1 . . . . . . . . 4959 1 1545 . 1 1 138 138 LEU HA H 1 4.084 0.03 . 1 . . . . . . . . 4959 1 1546 . 1 1 138 138 LEU CB C 13 40.390 0.3 . 1 . . . . . . . . 4959 1 1547 . 1 1 138 138 LEU HB2 H 1 1.448 0.03 . 2 . . . . . . . . 4959 1 1548 . 1 1 138 138 LEU HB3 H 1 1.952 0.03 . 2 . . . . . . . . 4959 1 1549 . 1 1 138 138 LEU CG C 13 24.868 0.3 . 1 . . . . . . . . 4959 1 1550 . 1 1 138 138 LEU HG H 1 1.872 0.03 . 1 . . . . . . . . 4959 1 1551 . 1 1 138 138 LEU CD1 C 13 21.371 0.3 . 2 . . . . . . . . 4959 1 1552 . 1 1 138 138 LEU HD11 H 1 0.855 0.03 . 2 . . . . . . . . 4959 1 1553 . 1 1 138 138 LEU HD12 H 1 0.855 0.03 . 2 . . . . . . . . 4959 1 1554 . 1 1 138 138 LEU HD13 H 1 0.855 0.03 . 2 . . . . . . . . 4959 1 1555 . 1 1 138 138 LEU CD2 C 13 23.408 0.3 . 2 . . . . . . . . 4959 1 1556 . 1 1 138 138 LEU HD21 H 1 0.801 0.03 . 2 . . . . . . . . 4959 1 1557 . 1 1 138 138 LEU HD22 H 1 0.801 0.03 . 2 . . . . . . . . 4959 1 1558 . 1 1 138 138 LEU HD23 H 1 0.801 0.03 . 2 . . . . . . . . 4959 1 1559 . 1 1 138 138 LEU C C 13 175.582 0.3 . 1 . . . . . . . . 4959 1 1560 . 1 1 139 139 ARG N N 15 119.422 0.2 . 1 . . . . . . . . 4959 1 1561 . 1 1 139 139 ARG H H 1 7.935 0.03 . 1 . . . . . . . . 4959 1 1562 . 1 1 139 139 ARG CA C 13 55.043 0.3 . 1 . . . . . . . . 4959 1 1563 . 1 1 139 139 ARG HA H 1 4.214 0.03 . 1 . . . . . . . . 4959 1 1564 . 1 1 139 139 ARG CB C 13 28.561 0.3 . 1 . . . . . . . . 4959 1 1565 . 1 1 139 139 ARG HB2 H 1 1.925 0.03 . 2 . . . . . . . . 4959 1 1566 . 1 1 139 139 ARG C C 13 174.269 0.3 . 1 . . . . . . . . 4959 1 1567 . 1 1 140 140 ASP N N 15 121.864 0.2 . 1 . . . . . . . . 4959 1 1568 . 1 1 140 140 ASP H H 1 7.911 0.03 . 1 . . . . . . . . 4959 1 1569 . 1 1 140 140 ASP CA C 13 52.521 0.3 . 1 . . . . . . . . 4959 1 1570 . 1 1 140 140 ASP HA H 1 4.638 0.03 . 1 . . . . . . . . 4959 1 1571 . 1 1 140 140 ASP CB C 13 38.737 0.3 . 1 . . . . . . . . 4959 1 1572 . 1 1 140 140 ASP HB2 H 1 2.893 0.03 . 2 . . . . . . . . 4959 1 1573 . 1 1 140 140 ASP HB3 H 1 2.690 0.03 . 2 . . . . . . . . 4959 1 1574 . 1 1 140 140 ASP C C 13 174.305 0.3 . 1 . . . . . . . . 4959 1 1575 . 1 1 141 141 GLU N N 15 122.497 0.2 . 1 . . . . . . . . 4959 1 1576 . 1 1 141 141 GLU H H 1 8.328 0.03 . 1 . . . . . . . . 4959 1 1577 . 1 1 141 141 GLU CA C 13 55.347 0.3 . 1 . . . . . . . . 4959 1 1578 . 1 1 141 141 GLU HA H 1 4.195 0.03 . 1 . . . . . . . . 4959 1 1579 . 1 1 141 141 GLU CB C 13 28.040 0.3 . 1 . . . . . . . . 4959 1 1580 . 1 1 141 141 GLU HB2 H 1 2.074 0.03 . 2 . . . . . . . . 4959 1 1581 . 1 1 141 141 GLU HB3 H 1 1.965 0.03 . 2 . . . . . . . . 4959 1 1582 . 1 1 141 141 GLU CG C 13 34.073 0.3 . 1 . . . . . . . . 4959 1 1583 . 1 1 141 141 GLU HG2 H 1 2.284 0.03 . 2 . . . . . . . . 4959 1 1584 . 1 1 141 141 GLU C C 13 174.773 0.3 . 1 . . . . . . . . 4959 1 1585 . 1 1 142 142 ASP N N 15 121.687 0.2 . 1 . . . . . . . . 4959 1 1586 . 1 1 142 142 ASP H H 1 8.313 0.03 . 1 . . . . . . . . 4959 1 1587 . 1 1 142 142 ASP CA C 13 52.955 0.3 . 1 . . . . . . . . 4959 1 1588 . 1 1 142 142 ASP HA H 1 4.574 0.03 . 1 . . . . . . . . 4959 1 1589 . 1 1 142 142 ASP CB C 13 38.824 0.3 . 1 . . . . . . . . 4959 1 1590 . 1 1 142 142 ASP HB2 H 1 2.669 0.03 . 2 . . . . . . . . 4959 1 1591 . 1 1 142 142 ASP HB3 H 1 2.718 0.03 . 2 . . . . . . . . 4959 1 1592 . 1 1 142 142 ASP C C 13 174.575 0.3 . 1 . . . . . . . . 4959 1 1593 . 1 1 143 143 ARG N N 15 121.748 0.2 . 1 . . . . . . . . 4959 1 1594 . 1 1 143 143 ARG H H 1 7.967 0.03 . 1 . . . . . . . . 4959 1 1595 . 1 1 143 143 ARG CA C 13 54.651 0.3 . 1 . . . . . . . . 4959 1 1596 . 1 1 143 143 ARG HA H 1 4.232 0.03 . 1 . . . . . . . . 4959 1 1597 . 1 1 143 143 ARG CB C 13 28.214 0.3 . 1 . . . . . . . . 4959 1 1598 . 1 1 143 143 ARG HB2 H 1 1.841 0.03 . 2 . . . . . . . . 4959 1 1599 . 1 1 143 143 ARG HG2 H 1 1.637 0.03 . 2 . . . . . . . . 4959 1 1600 . 1 1 143 143 ARG HD2 H 1 3.235 0.03 . 2 . . . . . . . . 4959 1 1601 . 1 1 143 143 ARG C C 13 174.539 0.3 . 1 . . . . . . . . 4959 1 1602 . 1 1 144 144 LEU N N 15 122.886 0.2 . 1 . . . . . . . . 4959 1 1603 . 1 1 144 144 LEU H H 1 8.114 0.03 . 1 . . . . . . . . 4959 1 1604 . 1 1 144 144 LEU CA C 13 53.434 0.3 . 1 . . . . . . . . 4959 1 1605 . 1 1 144 144 LEU HA H 1 4.280 0.03 . 1 . . . . . . . . 4959 1 1606 . 1 1 144 144 LEU CB C 13 39.867 0.3 . 1 . . . . . . . . 4959 1 1607 . 1 1 144 144 LEU HB2 H 1 1.612 0.03 . 2 . . . . . . . . 4959 1 1608 . 1 1 144 144 LEU HB3 H 1 1.587 0.03 . 2 . . . . . . . . 4959 1 1609 . 1 1 144 144 LEU CG C 13 24.991 0.3 . 1 . . . . . . . . 4959 1 1610 . 1 1 144 144 LEU HG H 1 1.644 0.03 . 1 . . . . . . . . 4959 1 1611 . 1 1 144 144 LEU CD1 C 13 22.704 0.3 . 2 . . . . . . . . 4959 1 1612 . 1 1 144 144 LEU HD11 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 1613 . 1 1 144 144 LEU HD12 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 1614 . 1 1 144 144 LEU HD13 H 1 0.924 0.03 . 2 . . . . . . . . 4959 1 1615 . 1 1 144 144 LEU CD2 C 13 21.289 0.3 . 2 . . . . . . . . 4959 1 1616 . 1 1 144 144 LEU HD21 H 1 0.867 0.03 . 2 . . . . . . . . 4959 1 1617 . 1 1 144 144 LEU HD22 H 1 0.867 0.03 . 2 . . . . . . . . 4959 1 1618 . 1 1 144 144 LEU HD23 H 1 0.867 0.03 . 2 . . . . . . . . 4959 1 1619 . 1 1 144 144 LEU C C 13 175.402 0.3 . 1 . . . . . . . . 4959 1 1620 . 1 1 145 145 ARG N N 15 122.038 0.2 . 1 . . . . . . . . 4959 1 1621 . 1 1 145 145 ARG H H 1 8.032 0.03 . 1 . . . . . . . . 4959 1 1622 . 1 1 145 145 ARG CA C 13 54.173 0.3 . 1 . . . . . . . . 4959 1 1623 . 1 1 145 145 ARG HA H 1 4.309 0.03 . 1 . . . . . . . . 4959 1 1624 . 1 1 145 145 ARG CB C 13 28.561 0.3 . 1 . . . . . . . . 4959 1 1625 . 1 1 145 145 ARG HB2 H 1 1.873 0.03 . 2 . . . . . . . . 4959 1 1626 . 1 1 145 145 ARG HB3 H 1 1.798 0.03 . 2 . . . . . . . . 4959 1 1627 . 1 1 145 145 ARG CG C 13 25.056 0.3 . 1 . . . . . . . . 4959 1 1628 . 1 1 145 145 ARG HG2 H 1 1.652 0.03 . 1 . . . . . . . . 4959 1 1629 . 1 1 145 145 ARG HG3 H 1 1.652 0.03 . 1 . . . . . . . . 4959 1 1630 . 1 1 145 145 ARG CD C 13 41.132 0.3 . 1 . . . . . . . . 4959 1 1631 . 1 1 145 145 ARG HD2 H 1 3.215 0.03 . 1 . . . . . . . . 4959 1 1632 . 1 1 145 145 ARG HD3 H 1 3.215 0.03 . 1 . . . . . . . . 4959 1 1633 . 1 1 145 145 ARG C C 13 174.035 0.3 . 1 . . . . . . . . 4959 1 1634 . 1 1 146 146 GLU N N 15 122.676 0.2 . 1 . . . . . . . . 4959 1 1635 . 1 1 146 146 GLU H H 1 8.207 0.03 . 1 . . . . . . . . 4959 1 1636 . 1 1 146 146 GLU CA C 13 54.303 0.3 . 1 . . . . . . . . 4959 1 1637 . 1 1 146 146 GLU HA H 1 4.300 0.03 . 1 . . . . . . . . 4959 1 1638 . 1 1 146 146 GLU CB C 13 28.214 0.3 . 1 . . . . . . . . 4959 1 1639 . 1 1 146 146 GLU HB2 H 1 1.956 0.03 . 2 . . . . . . . . 4959 1 1640 . 1 1 146 146 GLU HB3 H 1 2.084 0.03 . 2 . . . . . . . . 4959 1 1641 . 1 1 146 146 GLU CG C 13 34.006 0.3 . 1 . . . . . . . . 4959 1 1642 . 1 1 146 146 GLU HG2 H 1 2.287 0.03 . 1 . . . . . . . . 4959 1 1643 . 1 1 146 146 GLU HG3 H 1 2.287 0.03 . 1 . . . . . . . . 4959 1 1644 . 1 1 146 146 GLU C C 13 174.071 0.3 . 1 . . . . . . . . 4959 1 1645 . 1 1 147 147 GLU N N 15 123.560 0.2 . 1 . . . . . . . . 4959 1 1646 . 1 1 147 147 GLU H H 1 8.310 0.03 . 1 . . . . . . . . 4959 1 1647 . 1 1 147 147 GLU CA C 13 54.303 0.3 . 1 . . . . . . . . 4959 1 1648 . 1 1 147 147 GLU HA H 1 4.327 0.03 . 1 . . . . . . . . 4959 1 1649 . 1 1 147 147 GLU CB C 13 27.971 0.3 . 1 . . . . . . . . 4959 1 1650 . 1 1 147 147 GLU HB2 H 1 1.962 0.03 . 2 . . . . . . . . 4959 1 1651 . 1 1 147 147 GLU HB3 H 1 2.084 0.03 . 2 . . . . . . . . 4959 1 1652 . 1 1 147 147 GLU CG C 13 34.016 0.3 . 1 . . . . . . . . 4959 1 1653 . 1 1 147 147 GLU HG2 H 1 2.284 0.03 . 1 . . . . . . . . 4959 1 1654 . 1 1 147 147 GLU HG3 H 1 2.284 0.03 . 1 . . . . . . . . 4959 1 1655 . 1 1 147 147 GLU C C 13 173.225 0.3 . 1 . . . . . . . . 4959 1 1656 . 1 1 148 148 ARG N N 15 128.700 0.2 . 1 . . . . . . . . 4959 1 1657 . 1 1 148 148 ARG H H 1 7.884 0.03 . 1 . . . . . . . . 4959 1 1658 . 1 1 148 148 ARG CA C 13 55.146 0.3 . 1 . . . . . . . . 4959 1 1659 . 1 1 148 148 ARG HA H 1 4.198 0.03 . 1 . . . . . . . . 4959 1 1660 . 1 1 148 148 ARG CB C 13 29.207 0.3 . 1 . . . . . . . . 4959 1 1661 . 1 1 148 148 ARG HB2 H 1 1.717 0.03 . 2 . . . . . . . . 4959 1 1662 . 1 1 148 148 ARG HB3 H 1 1.859 0.03 . 2 . . . . . . . . 4959 1 1663 . 1 1 148 148 ARG CG C 13 24.990 0.3 . 1 . . . . . . . . 4959 1 1664 . 1 1 148 148 ARG HG2 H 1 1.612 0.03 . 1 . . . . . . . . 4959 1 1665 . 1 1 148 148 ARG HG3 H 1 1.612 0.03 . 1 . . . . . . . . 4959 1 1666 . 1 1 148 148 ARG CD C 13 41.177 0.3 . 1 . . . . . . . . 4959 1 1667 . 1 1 148 148 ARG HD2 H 1 3.198 0.03 . 1 . . . . . . . . 4959 1 1668 . 1 1 148 148 ARG HD3 H 1 3.198 0.03 . 1 . . . . . . . . 4959 1 stop_ save_