data_4263 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4263 _Entry.Title ; dNumb PTB Domain Complexed with a Phosphotyrosine Peptide, NMR, Ensemble of Structures. ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1998-10-30 _Entry.Accession_date 1998-10-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 C. Zwahlen . . . 4263 2 S. Li . C. . 4263 3 S. Vincent . J.F. . 4263 4 C. Mcglade . J. . 4263 5 L. Kay . E. . 4263 6 T. Pawson . . . 4263 7 J. Forman-Kay . D. . 4263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 638 4263 '15N chemical shifts' 171 4263 '1H chemical shifts' 916 4263 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 3 . . 2008-07-11 1998-10-30 update BMRB 'Updating non-standard residue' 4263 2 . . 2008-03-24 . update BMRB . 4263 1 . . 1999-10-05 1998-10-30 original author . 4263 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4263 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99061335 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Li, S. C., Zwahlen, C., Vincent, S. J., McGlade, C. J., Kay, L. E., Pawson, T., and Forman-Kay, J. D., "Structure of a Numb PTB Domain-peptide Complex Suggests a Basis for Diverse Binding Specificity," Nat. Struct. Biol. 5, 1075-1083 (1998). ; _Citation.Title ; Structure of a Numb PTB Domain-peptide Complex: A Basis for Diverse Binding Specificity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1075 _Citation.Page_last 1083 _Citation.Year 1998 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Zwahlen . . . 4263 1 2 S. Li . C. . 4263 1 3 S. Vincent . J.F. . 4263 1 4 C. Mcglade . J. . 4263 1 5 L. Kay . E. . 4263 1 6 T. Pawson . . . 4263 1 7 J. Forman-Kay . D. . 4263 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Asymmetric Cell Division' 4263 1 Complex 4263 1 'Phosphotyrosine Binding Domain (PTB)' 4263 1 'Signal Transduction' 4263 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4263 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 9207069 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Li SC, Songyang Z, Vincent SJ, Zwahlen C, Wiley S, Cantley L, Kay LE, Forman-Kay J, Pawson T, "High-affinity binding of the Drosophila Numb phosphotyrosine-binding domain to peptides containing a Gly-Pro-(p)Tyr motif," Proc Natl Acad Sci U S A 1997 Jul 8;94(14):7204-9 ; _Citation.Title ; High-affinity binding of the Drosophila Numb phosphotyrosine-binding domain to peptides containing a Gly-Pro-(p)Tyr motif ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 94 _Citation.Journal_issue 14 _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 7204 _Citation.Page_last 7209 _Citation.Year 1997 _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 S. Li S. C. . 4263 2 2 Z. Songyang Z. . . 4263 2 3 S. Vincent S. J. . 4263 2 4 C. Zwahlen C. . . 4263 2 5 S. Wiley S. . . 4263 2 6 L. Cantley L. . . 4263 2 7 L. Kay L. E. . 4263 2 8 J. Forman-Kay J. . . 4263 2 9 T. Pawson T. . . 4263 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_dNumb_PTB_complex_GPpY _Assembly.Sf_category assembly _Assembly.Sf_framecode dNumb_PTB_complex_GPpY _Assembly.Entry_ID 4263 _Assembly.ID 1 _Assembly.Name 'PTB domain of Drosophila Numb protein/GPpY_peptide complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 4263 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 dNumb_PTB_one 1 $dNumb_PTB . . . native . . 1 . . 4263 1 2 GPpY_peptide_one 2 $GPpY_peptide . . . native . . 2 . . 4263 1 3 dNumb_PTB_two 1 $dNumb_PTB . . . native . . 1 . . 4263 1 4 GPpY_peptide_two 2 $GPpY_peptide . . . native . . 2 . . 4263 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1DDM . 'Chain A, Solution Structure Of The Numb Ptb Domain Complexed To A Nak Peptide' . . . . 4263 1 yes PDB 2NMB . 'Chain A, Dnumb Ptb Domain Complexed With A Phosphotyrosine Peptide, Nmr, Ensemble Of Structures' . . . . 4263 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'dNumb PTB/GPpY complex' abbreviation 4263 1 'PTB domain of Drosophila Numb protein/GPpY_peptide complex' system 4263 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dNumb_PTB _Entity.Sf_category entity _Entity.Sf_framecode dNumb_PTB _Entity.Entry_ID 4263 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PTB domain of Drosophila Numb protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSPGIPDRVPESSKPHQWQA DEEAVRSATCSFSVKYLGCV EVFESRGMQVCEEALKVLRQ SRRRPVRGLLHVSGDGLRVV DDETKGLIVDQTIEKVSFCA PDRNHERGFSYICRDGTTRR WMCHGFLACKDSGERLSHAV GCAFAVCLERKQRRTRAAAS ; _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 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4683 . "dNumb PTB" . . . . . 100.00 171 100.00 100.00 8.33e-112 . . . . 4263 1 2 no PDB 1DDM . "Solution Structure Of The Numb Ptb Domain Complexed To A Nak Peptide" . . . . . 84.38 135 100.00 100.00 8.62e-93 . . . . 4263 1 3 no PDB 2NMB . "Dnumb Ptb Domain Complexed With A Phosphotyrosine Peptide, Nmr, Ensemble Of Structures" . . . . . 100.00 160 100.00 100.00 5.54e-112 . . . . 4263 1 4 no GB AAA28730 . "numb peptide (put.); putative [Drosophila melanogaster]" . . . . . 93.75 556 98.67 99.33 1.44e-102 . . . . 4263 1 5 no GB AAF52776 . "numb, isoform A [Drosophila melanogaster]" . . . . . 93.75 556 98.67 99.33 1.68e-102 . . . . 4263 1 6 no GB AAK93152 . "LD25907p [Drosophila melanogaster]" . . . . . 68.13 458 98.17 99.08 5.31e-71 . . . . 4263 1 7 no GB AAN10693 . "numb, isoform B [Drosophila melanogaster]" . . . . . 93.75 515 98.67 99.33 6.51e-103 . . . . 4263 1 8 no GB ACL68752 . "RE15808p [Drosophila melanogaster]" . . . . . 93.75 556 98.67 99.33 1.68e-102 . . . . 4263 1 9 no REF NP_001260291 . "numb, isoform D [Drosophila melanogaster]" . . . . . 93.75 556 98.67 99.33 1.68e-102 . . . . 4263 1 10 no REF NP_523523 . "numb, isoform A [Drosophila melanogaster]" . . . . . 93.75 556 98.67 99.33 1.68e-102 . . . . 4263 1 11 no REF NP_723460 . "numb, isoform B [Drosophila melanogaster]" . . . . . 93.75 515 98.67 99.33 6.51e-103 . . . . 4263 1 12 no REF XP_001357245 . "GA17683 [Drosophila pseudoobscura pseudoobscura]" . . . . . 93.75 559 98.67 99.33 9.83e-103 . . . . 4263 1 13 no REF XP_001964877 . "GF22745 [Drosophila ananassae]" . . . . . 93.75 556 98.00 98.67 9.80e-102 . . . . 4263 1 14 no SP P16554 . "RecName: Full=Protein numb" . . . . . 93.75 556 98.67 99.33 1.68e-102 . . . . 4263 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'dNumb PTB' abbreviation 4263 1 none variant 4263 1 'PTB domain of Drosophila Numb protein' common 4263 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 . 4263 1 2 . SER . 4263 1 3 . PRO . 4263 1 4 . GLY . 4263 1 5 . ILE . 4263 1 6 . PRO . 4263 1 7 . ASP . 4263 1 8 . ARG . 4263 1 9 . VAL . 4263 1 10 . PRO . 4263 1 11 . GLU . 4263 1 12 . SER . 4263 1 13 . SER . 4263 1 14 . LYS . 4263 1 15 . PRO . 4263 1 16 . HIS . 4263 1 17 . GLN . 4263 1 18 . TRP . 4263 1 19 . GLN . 4263 1 20 . ALA . 4263 1 21 . ASP . 4263 1 22 . GLU . 4263 1 23 . GLU . 4263 1 24 . ALA . 4263 1 25 . VAL . 4263 1 26 . ARG . 4263 1 27 . SER . 4263 1 28 . ALA . 4263 1 29 . THR . 4263 1 30 . CYS . 4263 1 31 . SER . 4263 1 32 . PHE . 4263 1 33 . SER . 4263 1 34 . VAL . 4263 1 35 . LYS . 4263 1 36 . TYR . 4263 1 37 . LEU . 4263 1 38 . GLY . 4263 1 39 . CYS . 4263 1 40 . VAL . 4263 1 41 . GLU . 4263 1 42 . VAL . 4263 1 43 . PHE . 4263 1 44 . GLU . 4263 1 45 . SER . 4263 1 46 . ARG . 4263 1 47 . GLY . 4263 1 48 . MET . 4263 1 49 . GLN . 4263 1 50 . VAL . 4263 1 51 . CYS . 4263 1 52 . GLU . 4263 1 53 . GLU . 4263 1 54 . ALA . 4263 1 55 . LEU . 4263 1 56 . LYS . 4263 1 57 . VAL . 4263 1 58 . LEU . 4263 1 59 . ARG . 4263 1 60 . GLN . 4263 1 61 . SER . 4263 1 62 . ARG . 4263 1 63 . ARG . 4263 1 64 . ARG . 4263 1 65 . PRO . 4263 1 66 . VAL . 4263 1 67 . ARG . 4263 1 68 . GLY . 4263 1 69 . LEU . 4263 1 70 . LEU . 4263 1 71 . HIS . 4263 1 72 . VAL . 4263 1 73 . SER . 4263 1 74 . GLY . 4263 1 75 . ASP . 4263 1 76 . GLY . 4263 1 77 . LEU . 4263 1 78 . ARG . 4263 1 79 . VAL . 4263 1 80 . VAL . 4263 1 81 . ASP . 4263 1 82 . ASP . 4263 1 83 . GLU . 4263 1 84 . THR . 4263 1 85 . LYS . 4263 1 86 . GLY . 4263 1 87 . LEU . 4263 1 88 . ILE . 4263 1 89 . VAL . 4263 1 90 . ASP . 4263 1 91 . GLN . 4263 1 92 . THR . 4263 1 93 . ILE . 4263 1 94 . GLU . 4263 1 95 . LYS . 4263 1 96 . VAL . 4263 1 97 . SER . 4263 1 98 . PHE . 4263 1 99 . CYS . 4263 1 100 . ALA . 4263 1 101 . PRO . 4263 1 102 . ASP . 4263 1 103 . ARG . 4263 1 104 . ASN . 4263 1 105 . HIS . 4263 1 106 . GLU . 4263 1 107 . ARG . 4263 1 108 . GLY . 4263 1 109 . PHE . 4263 1 110 . SER . 4263 1 111 . TYR . 4263 1 112 . ILE . 4263 1 113 . CYS . 4263 1 114 . ARG . 4263 1 115 . ASP . 4263 1 116 . GLY . 4263 1 117 . THR . 4263 1 118 . THR . 4263 1 119 . ARG . 4263 1 120 . ARG . 4263 1 121 . TRP . 4263 1 122 . MET . 4263 1 123 . CYS . 4263 1 124 . HIS . 4263 1 125 . GLY . 4263 1 126 . PHE . 4263 1 127 . LEU . 4263 1 128 . ALA . 4263 1 129 . CYS . 4263 1 130 . LYS . 4263 1 131 . ASP . 4263 1 132 . SER . 4263 1 133 . GLY . 4263 1 134 . GLU . 4263 1 135 . ARG . 4263 1 136 . LEU . 4263 1 137 . SER . 4263 1 138 . HIS . 4263 1 139 . ALA . 4263 1 140 . VAL . 4263 1 141 . GLY . 4263 1 142 . CYS . 4263 1 143 . ALA . 4263 1 144 . PHE . 4263 1 145 . ALA . 4263 1 146 . VAL . 4263 1 147 . CYS . 4263 1 148 . LEU . 4263 1 149 . GLU . 4263 1 150 . ARG . 4263 1 151 . LYS . 4263 1 152 . GLN . 4263 1 153 . ARG . 4263 1 154 . ARG . 4263 1 155 . THR . 4263 1 156 . ARG . 4263 1 157 . ALA . 4263 1 158 . ALA . 4263 1 159 . ALA . 4263 1 160 . SER . 4263 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 4263 1 . SER 2 2 4263 1 . PRO 3 3 4263 1 . GLY 4 4 4263 1 . ILE 5 5 4263 1 . PRO 6 6 4263 1 . ASP 7 7 4263 1 . ARG 8 8 4263 1 . VAL 9 9 4263 1 . PRO 10 10 4263 1 . GLU 11 11 4263 1 . SER 12 12 4263 1 . SER 13 13 4263 1 . LYS 14 14 4263 1 . PRO 15 15 4263 1 . HIS 16 16 4263 1 . GLN 17 17 4263 1 . TRP 18 18 4263 1 . GLN 19 19 4263 1 . ALA 20 20 4263 1 . ASP 21 21 4263 1 . GLU 22 22 4263 1 . GLU 23 23 4263 1 . ALA 24 24 4263 1 . VAL 25 25 4263 1 . ARG 26 26 4263 1 . SER 27 27 4263 1 . ALA 28 28 4263 1 . THR 29 29 4263 1 . CYS 30 30 4263 1 . SER 31 31 4263 1 . PHE 32 32 4263 1 . SER 33 33 4263 1 . VAL 34 34 4263 1 . LYS 35 35 4263 1 . TYR 36 36 4263 1 . LEU 37 37 4263 1 . GLY 38 38 4263 1 . CYS 39 39 4263 1 . VAL 40 40 4263 1 . GLU 41 41 4263 1 . VAL 42 42 4263 1 . PHE 43 43 4263 1 . GLU 44 44 4263 1 . SER 45 45 4263 1 . ARG 46 46 4263 1 . GLY 47 47 4263 1 . MET 48 48 4263 1 . GLN 49 49 4263 1 . VAL 50 50 4263 1 . CYS 51 51 4263 1 . GLU 52 52 4263 1 . GLU 53 53 4263 1 . ALA 54 54 4263 1 . LEU 55 55 4263 1 . LYS 56 56 4263 1 . VAL 57 57 4263 1 . LEU 58 58 4263 1 . ARG 59 59 4263 1 . GLN 60 60 4263 1 . SER 61 61 4263 1 . ARG 62 62 4263 1 . ARG 63 63 4263 1 . ARG 64 64 4263 1 . PRO 65 65 4263 1 . VAL 66 66 4263 1 . ARG 67 67 4263 1 . GLY 68 68 4263 1 . LEU 69 69 4263 1 . LEU 70 70 4263 1 . HIS 71 71 4263 1 . VAL 72 72 4263 1 . SER 73 73 4263 1 . GLY 74 74 4263 1 . ASP 75 75 4263 1 . GLY 76 76 4263 1 . LEU 77 77 4263 1 . ARG 78 78 4263 1 . VAL 79 79 4263 1 . VAL 80 80 4263 1 . ASP 81 81 4263 1 . ASP 82 82 4263 1 . GLU 83 83 4263 1 . THR 84 84 4263 1 . LYS 85 85 4263 1 . GLY 86 86 4263 1 . LEU 87 87 4263 1 . ILE 88 88 4263 1 . VAL 89 89 4263 1 . ASP 90 90 4263 1 . GLN 91 91 4263 1 . THR 92 92 4263 1 . ILE 93 93 4263 1 . GLU 94 94 4263 1 . LYS 95 95 4263 1 . VAL 96 96 4263 1 . SER 97 97 4263 1 . PHE 98 98 4263 1 . CYS 99 99 4263 1 . ALA 100 100 4263 1 . PRO 101 101 4263 1 . ASP 102 102 4263 1 . ARG 103 103 4263 1 . ASN 104 104 4263 1 . HIS 105 105 4263 1 . GLU 106 106 4263 1 . ARG 107 107 4263 1 . GLY 108 108 4263 1 . PHE 109 109 4263 1 . SER 110 110 4263 1 . TYR 111 111 4263 1 . ILE 112 112 4263 1 . CYS 113 113 4263 1 . ARG 114 114 4263 1 . ASP 115 115 4263 1 . GLY 116 116 4263 1 . THR 117 117 4263 1 . THR 118 118 4263 1 . ARG 119 119 4263 1 . ARG 120 120 4263 1 . TRP 121 121 4263 1 . MET 122 122 4263 1 . CYS 123 123 4263 1 . HIS 124 124 4263 1 . GLY 125 125 4263 1 . PHE 126 126 4263 1 . LEU 127 127 4263 1 . ALA 128 128 4263 1 . CYS 129 129 4263 1 . LYS 130 130 4263 1 . ASP 131 131 4263 1 . SER 132 132 4263 1 . GLY 133 133 4263 1 . GLU 134 134 4263 1 . ARG 135 135 4263 1 . LEU 136 136 4263 1 . SER 137 137 4263 1 . HIS 138 138 4263 1 . ALA 139 139 4263 1 . VAL 140 140 4263 1 . GLY 141 141 4263 1 . CYS 142 142 4263 1 . ALA 143 143 4263 1 . PHE 144 144 4263 1 . ALA 145 145 4263 1 . VAL 146 146 4263 1 . CYS 147 147 4263 1 . LEU 148 148 4263 1 . GLU 149 149 4263 1 . ARG 150 150 4263 1 . LYS 151 151 4263 1 . GLN 152 152 4263 1 . ARG 153 153 4263 1 . ARG 154 154 4263 1 . THR 155 155 4263 1 . ARG 156 156 4263 1 . ALA 157 157 4263 1 . ALA 158 158 4263 1 . ALA 159 159 4263 1 . SER 160 160 4263 1 stop_ save_ save_GPpY_peptide _Entity.Sf_category entity _Entity.Sf_framecode GPpY_peptide _Entity.Entry_ID 4263 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'GPpY peptide' _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 AYIGPXL _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'GPpY peptide' abbreviation 4263 2 'GPpY peptide' common 4263 2 'PTR, GPpY-containing peptide, where p(Y) = Phosphorylated Tyrosine' variant 4263 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 4263 2 2 . TYR . 4263 2 3 . ILE . 4263 2 4 . GLY . 4263 2 5 . PRO . 4263 2 6 . PTR . 4263 2 7 . LEU . 4263 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 4263 2 . TYR 2 2 4263 2 . ILE 3 3 4263 2 . GLY 4 4 4263 2 . PRO 5 5 4263 2 . PTR 6 6 4263 2 . LEU 7 7 4263 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4263 _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 $dNumb_PTB . 7227 organism . 'Drosophila melanogaster' 'Fruit Fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . numb . . . . 4263 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 4263 _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 $dNumb_PTB . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . . . . . . . . 4263 1 2 2 $GPpY_peptide . chemically_synthesized . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4263 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 4263 _Chem_comp.ID PTR _Chem_comp.Provenance . _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code PTR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code Y _Chem_comp.Three_letter_code PTR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID TYR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 15:53:56 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 4263 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4263 PTR DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 4263 PTR InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.03 4263 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 4263 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 4263 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 4263 PTR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4263 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 4263 PTR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 4263 PTR CA . CA . . C . . S 0 . . . . no no . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 4263 PTR C . C . . C . . N 0 . . . . no no . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 4263 PTR O . O . . O . . N 0 . . . . no no . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 4263 PTR OXT . OXT . . O . . N 0 . . . . no yes . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 4263 PTR CB . CB . . C . . N 0 . . . . no no . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 4263 PTR CG . CG . . C . . N 0 . . . . yes no . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 4263 PTR CD1 . CD1 . . C . . N 0 . . . . yes no . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 4263 PTR CD2 . CD2 . . C . . N 0 . . . . yes no . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 4263 PTR CE1 . CE1 . . C . . N 0 . . . . yes no . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 4263 PTR CE2 . CE2 . . C . . N 0 . . . . yes no . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 4263 PTR CZ . CZ . . C . . N 0 . . . . yes no . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 4263 PTR OH . OH . . O . . N 0 . . . . no no . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 4263 PTR P . P . . P . . N 0 . . . . no no . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 4263 PTR O1P . O1P . . O . . N 0 . . . . no no . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 4263 PTR O2P . O2P . . O . . N 0 . . . . no no . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 4263 PTR O3P . O3P . . O . . N 0 . . . . no no . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 4263 PTR H . H . . H . . N 0 . . . . no no . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 4263 PTR HN2 . HN2 . . H . . N 0 . . . . no yes . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 4263 PTR HA . HA . . H . . N 0 . . . . no no . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 4263 PTR HXT . HXT . . H . . N 0 . . . . no yes . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 4263 PTR HB2 . HB2 . . H . . N 0 . . . . no no . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 4263 PTR HB3 . HB3 . . H . . N 0 . . . . no no . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 4263 PTR HD1 . HD1 . . H . . N 0 . . . . no no . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 4263 PTR HD2 . HD2 . . H . . N 0 . . . . no no . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 4263 PTR HE1 . HE1 . . H . . N 0 . . . . no no . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 4263 PTR HE2 . HE2 . . H . . N 0 . . . . no no . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 4263 PTR HO2P . HO2P . . H . . N 0 . . . . no no . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 4263 PTR HO3P . HO3P . . H . . N 0 . . . . no no . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 4263 PTR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 4263 PTR 2 . SING N H no N 2 . 4263 PTR 3 . SING N HN2 no N 3 . 4263 PTR 4 . SING CA C no N 4 . 4263 PTR 5 . SING CA CB no N 5 . 4263 PTR 6 . SING CA HA no N 6 . 4263 PTR 7 . DOUB C O no N 7 . 4263 PTR 8 . SING C OXT no N 8 . 4263 PTR 9 . SING OXT HXT no N 9 . 4263 PTR 10 . SING CB CG no N 10 . 4263 PTR 11 . SING CB HB2 no N 11 . 4263 PTR 12 . SING CB HB3 no N 12 . 4263 PTR 13 . DOUB CG CD1 yes N 13 . 4263 PTR 14 . SING CG CD2 yes N 14 . 4263 PTR 15 . SING CD1 CE1 yes N 15 . 4263 PTR 16 . SING CD1 HD1 no N 16 . 4263 PTR 17 . DOUB CD2 CE2 yes N 17 . 4263 PTR 18 . SING CD2 HD2 no N 18 . 4263 PTR 19 . DOUB CE1 CZ yes N 19 . 4263 PTR 20 . SING CE1 HE1 no N 20 . 4263 PTR 21 . SING CE2 CZ yes N 21 . 4263 PTR 22 . SING CE2 HE2 no N 22 . 4263 PTR 23 . SING CZ OH no N 23 . 4263 PTR 24 . SING OH P no N 24 . 4263 PTR 25 . DOUB P O1P no N 25 . 4263 PTR 26 . SING P O2P no N 26 . 4263 PTR 27 . SING P O3P no N 27 . 4263 PTR 28 . SING O2P HO2P no N 28 . 4263 PTR 29 . SING O3P HO3P no N 29 . 4263 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4263 _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 'PTB domain of Drosophila Numb protein' '[U-100% 13C; U-100% 15N]' . . 1 $dNumb_PTB . . 1.2 . . mM . . . . 4263 1 2 'GPpY peptide' ; [99% 12C; 99% 14N]-pY, ALA [100% 13C, 100% 15N]-TYR, ILE, GLY, PRO, LEU ; . . 2 $GPpY_peptide . . 1.2 . . mM . . . . 4263 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 4263 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.22 0.02 n/a 4263 1 pH 6.0 0.1 n/a 4263 1 pressure 1 . bar 4263 1 temperature 303 0.5 K 4263 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 4263 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data processing' 4263 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4263 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis, Peak picking, Semi-automated assignment' 4263 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4263 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.158 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure calculation' 4263 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 4263 _Software.ID 4 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure calculation' 4263 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4263 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4263 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4263 _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_1 Varian 'Unity Plus' . 500 . . . 4263 1 2 NMR_spectrometer_2 Varian Inova . 600 . . . 4263 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 4263 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . 1 $NMR_applied_experiment . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 4263 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 4263 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 ; HNCACB CBCACONNH HAHBCBCACONNH CCCTOCSYCONNH HCCTOCSYCONNH HCCHTOCSY N-NOESY HSQC CN-NOESY C-HSQC-NOESY VAL-CB-NOESY, HALF-FILTER-NOESY FILTER-NOESY FILTER-TOCSY ; save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_set_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_set_1 _Chem_shift_reference.Entry_ID 4263 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.730 internal direct 1 internal cylindrical parallel_to_Bo . . . . . . 4263 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4263 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_set_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4263 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 PRO HA H 1 4.45 0.05 . 1 . . . . . . . . 4263 1 2 . 1 1 3 3 PRO HB2 H 1 1.98 0.05 . 2 . . . . . . . . 4263 1 3 . 1 1 3 3 PRO HB3 H 1 2.32 0.05 . 2 . . . . . . . . 4263 1 4 . 1 1 3 3 PRO HG2 H 1 2.07 0.05 . 1 . . . . . . . . 4263 1 5 . 1 1 3 3 PRO HG3 H 1 2.07 0.05 . 1 . . . . . . . . 4263 1 6 . 1 1 3 3 PRO HD2 H 1 3.76 0.05 . 2 . . . . . . . . 4263 1 7 . 1 1 3 3 PRO HD3 H 1 3.86 0.05 . 2 . . . . . . . . 4263 1 8 . 1 1 3 3 PRO C C 13 177.14 0.1 . 1 . . . . . . . . 4263 1 9 . 1 1 3 3 PRO CA C 13 63.42 0.1 . 1 . . . . . . . . 4263 1 10 . 1 1 3 3 PRO CB C 13 31.81 0.1 . 1 . . . . . . . . 4263 1 11 . 1 1 3 3 PRO CG C 13 27.20 0.1 . 1 . . . . . . . . 4263 1 12 . 1 1 3 3 PRO CD C 13 50.54 0.1 . 1 . . . . . . . . 4263 1 13 . 1 1 4 4 GLY H H 1 8.43 0.05 . 1 . . . . . . . . 4263 1 14 . 1 1 4 4 GLY HA2 H 1 3.93 0.05 . 1 . . . . . . . . 4263 1 15 . 1 1 4 4 GLY HA3 H 1 3.93 0.05 . 1 . . . . . . . . 4263 1 16 . 1 1 4 4 GLY C C 13 173.39 0.1 . 1 . . . . . . . . 4263 1 17 . 1 1 4 4 GLY CA C 13 44.88 0.1 . 1 . . . . . . . . 4263 1 18 . 1 1 4 4 GLY N N 15 109.73 0.1 . 1 . . . . . . . . 4263 1 19 . 1 1 5 5 ILE H H 1 7.94 0.05 . 1 . . . . . . . . 4263 1 20 . 1 1 5 5 ILE HA H 1 4.51 0.05 . 1 . . . . . . . . 4263 1 21 . 1 1 5 5 ILE HB H 1 1.88 0.05 . 1 . . . . . . . . 4263 1 22 . 1 1 5 5 ILE HG12 H 1 1.48 0.05 . 2 . . . . . . . . 4263 1 23 . 1 1 5 5 ILE HG13 H 1 1.16 0.05 . 2 . . . . . . . . 4263 1 24 . 1 1 5 5 ILE HG21 H 1 0.97 0.05 . 1 . . . . . . . . 4263 1 25 . 1 1 5 5 ILE HG22 H 1 0.97 0.05 . 1 . . . . . . . . 4263 1 26 . 1 1 5 5 ILE HG23 H 1 0.97 0.05 . 1 . . . . . . . . 4263 1 27 . 1 1 5 5 ILE HD11 H 1 0.88 0.05 . 1 . . . . . . . . 4263 1 28 . 1 1 5 5 ILE HD12 H 1 0.88 0.05 . 1 . . . . . . . . 4263 1 29 . 1 1 5 5 ILE HD13 H 1 0.88 0.05 . 1 . . . . . . . . 4263 1 30 . 1 1 5 5 ILE C C 13 174.29 0.1 . 1 . . . . . . . . 4263 1 31 . 1 1 5 5 ILE CA C 13 58.23 0.1 . 1 . . . . . . . . 4263 1 32 . 1 1 5 5 ILE CB C 13 38.46 0.1 . 1 . . . . . . . . 4263 1 33 . 1 1 5 5 ILE CG1 C 13 26.72 0.1 . 1 . . . . . . . . 4263 1 34 . 1 1 5 5 ILE CG2 C 13 16.96 0.1 . 1 . . . . . . . . 4263 1 35 . 1 1 5 5 ILE CD1 C 13 12.51 0.1 . 1 . . . . . . . . 4263 1 36 . 1 1 5 5 ILE N N 15 121.82 0.1 . 1 . . . . . . . . 4263 1 37 . 1 1 6 6 PRO HA H 1 4.44 0.05 . 1 . . . . . . . . 4263 1 38 . 1 1 6 6 PRO HB2 H 1 2.30 0.05 . 2 . . . . . . . . 4263 1 39 . 1 1 6 6 PRO HB3 H 1 1.91 0.05 . 2 . . . . . . . . 4263 1 40 . 1 1 6 6 PRO HG2 H 1 1.93 0.05 . 2 . . . . . . . . 4263 1 41 . 1 1 6 6 PRO HG3 H 1 2.06 0.05 . 2 . . . . . . . . 4263 1 42 . 1 1 6 6 PRO HD2 H 1 3.70 0.05 . 2 . . . . . . . . 4263 1 43 . 1 1 6 6 PRO HD3 H 1 3.87 0.05 . 2 . . . . . . . . 4263 1 44 . 1 1 6 6 PRO C C 13 176.30 0.1 . 1 . . . . . . . . 4263 1 45 . 1 1 6 6 PRO CA C 13 62.94 0.1 . 1 . . . . . . . . 4263 1 46 . 1 1 6 6 PRO CB C 13 31.99 0.1 . 1 . . . . . . . . 4263 1 47 . 1 1 6 6 PRO CG C 13 27.11 0.1 . 1 . . . . . . . . 4263 1 48 . 1 1 6 6 PRO CD C 13 50.75 0.1 . 1 . . . . . . . . 4263 1 49 . 1 1 7 7 ASP H H 1 8.34 0.05 . 1 . . . . . . . . 4263 1 50 . 1 1 7 7 ASP HA H 1 4.55 0.05 . 1 . . . . . . . . 4263 1 51 . 1 1 7 7 ASP HB2 H 1 2.69 0.05 . 2 . . . . . . . . 4263 1 52 . 1 1 7 7 ASP HB3 H 1 2.61 0.05 . 2 . . . . . . . . 4263 1 53 . 1 1 7 7 ASP C C 13 175.78 0.1 . 1 . . . . . . . . 4263 1 54 . 1 1 7 7 ASP CA C 13 54.28 0.1 . 1 . . . . . . . . 4263 1 55 . 1 1 7 7 ASP CB C 13 40.99 0.1 . 1 . . . . . . . . 4263 1 56 . 1 1 7 7 ASP N N 15 120.76 0.1 . 1 . . . . . . . . 4263 1 57 . 1 1 8 8 ARG H H 1 8.15 0.05 . 1 . . . . . . . . 4263 1 58 . 1 1 8 8 ARG HA H 1 4.38 0.05 . 1 . . . . . . . . 4263 1 59 . 1 1 8 8 ARG HB2 H 1 1.76 0.05 . 2 . . . . . . . . 4263 1 60 . 1 1 8 8 ARG HB3 H 1 1.83 0.05 . 2 . . . . . . . . 4263 1 61 . 1 1 8 8 ARG HG2 H 1 1.61 0.05 . 1 . . . . . . . . 4263 1 62 . 1 1 8 8 ARG HG3 H 1 1.61 0.05 . 1 . . . . . . . . 4263 1 63 . 1 1 8 8 ARG HD2 H 1 3.20 0.05 . 1 . . . . . . . . 4263 1 64 . 1 1 8 8 ARG HD3 H 1 3.20 0.05 . 1 . . . . . . . . 4263 1 65 . 1 1 8 8 ARG C C 13 175.68 0.1 . 1 . . . . . . . . 4263 1 66 . 1 1 8 8 ARG CA C 13 55.49 0.1 . 1 . . . . . . . . 4263 1 67 . 1 1 8 8 ARG CB C 13 30.88 0.1 . 1 . . . . . . . . 4263 1 68 . 1 1 8 8 ARG CG C 13 26.79 0.1 . 1 . . . . . . . . 4263 1 69 . 1 1 8 8 ARG CD C 13 43.13 0.1 . 1 . . . . . . . . 4263 1 70 . 1 1 8 8 ARG N N 15 120.97 0.1 . 1 . . . . . . . . 4263 1 71 . 1 1 9 9 VAL H H 1 8.26 0.05 . 1 . . . . . . . . 4263 1 72 . 1 1 9 9 VAL HA H 1 4.40 0.05 . 1 . . . . . . . . 4263 1 73 . 1 1 9 9 VAL HB H 1 2.11 0.05 . 1 . . . . . . . . 4263 1 74 . 1 1 9 9 VAL HG11 H 1 0.99 0.05 . 2 . . . . . . . . 4263 1 75 . 1 1 9 9 VAL HG12 H 1 0.99 0.05 . 2 . . . . . . . . 4263 1 76 . 1 1 9 9 VAL HG13 H 1 0.99 0.05 . 2 . . . . . . . . 4263 1 77 . 1 1 9 9 VAL HG21 H 1 0.96 0.05 . 2 . . . . . . . . 4263 1 78 . 1 1 9 9 VAL HG22 H 1 0.96 0.05 . 2 . . . . . . . . 4263 1 79 . 1 1 9 9 VAL HG23 H 1 0.96 0.05 . 2 . . . . . . . . 4263 1 80 . 1 1 9 9 VAL CA C 13 59.75 0.1 . 1 . . . . . . . . 4263 1 81 . 1 1 9 9 VAL CB C 13 32.26 0.1 . 1 . . . . . . . . 4263 1 82 . 1 1 9 9 VAL CG1 C 13 20.89 0.1 . 2 . . . . . . . . 4263 1 83 . 1 1 9 9 VAL CG2 C 13 20.24 0.1 . 2 . . . . . . . . 4263 1 84 . 1 1 9 9 VAL N N 15 123.52 0.1 . 1 . . . . . . . . 4263 1 85 . 1 1 10 10 PRO HA H 1 4.41 0.05 . 1 . . . . . . . . 4263 1 86 . 1 1 10 10 PRO HB2 H 1 1.94 0.05 . 2 . . . . . . . . 4263 1 87 . 1 1 10 10 PRO HB3 H 1 2.32 0.05 . 2 . . . . . . . . 4263 1 88 . 1 1 10 10 PRO HG2 H 1 2.02 0.05 . 1 . . . . . . . . 4263 1 89 . 1 1 10 10 PRO HG3 H 1 2.02 0.05 . 1 . . . . . . . . 4263 1 90 . 1 1 10 10 PRO HD2 H 1 3.89 0.05 . 2 . . . . . . . . 4263 1 91 . 1 1 10 10 PRO HD3 H 1 3.68 0.05 . 2 . . . . . . . . 4263 1 92 . 1 1 10 10 PRO C C 13 176.85 0.1 . 1 . . . . . . . . 4263 1 93 . 1 1 10 10 PRO CA C 13 62.96 0.1 . 1 . . . . . . . . 4263 1 94 . 1 1 10 10 PRO CB C 13 31.97 0.1 . 1 . . . . . . . . 4263 1 95 . 1 1 10 10 PRO CG C 13 27.30 0.1 . 1 . . . . . . . . 4263 1 96 . 1 1 10 10 PRO CD C 13 50.75 0.1 . 1 . . . . . . . . 4263 1 97 . 1 1 11 11 GLU H H 1 8.60 0.05 . 1 . . . . . . . . 4263 1 98 . 1 1 11 11 GLU HA H 1 4.22 0.05 . 1 . . . . . . . . 4263 1 99 . 1 1 11 11 GLU HB2 H 1 2.07 0.05 . 2 . . . . . . . . 4263 1 100 . 1 1 11 11 GLU HB3 H 1 2.00 0.05 . 2 . . . . . . . . 4263 1 101 . 1 1 11 11 GLU HG2 H 1 2.32 0.05 . 1 . . . . . . . . 4263 1 102 . 1 1 11 11 GLU HG3 H 1 2.32 0.05 . 1 . . . . . . . . 4263 1 103 . 1 1 11 11 GLU C C 13 176.64 0.1 . 1 . . . . . . . . 4263 1 104 . 1 1 11 11 GLU CA C 13 56.88 0.1 . 1 . . . . . . . . 4263 1 105 . 1 1 11 11 GLU CB C 13 29.85 0.1 . 1 . . . . . . . . 4263 1 106 . 1 1 11 11 GLU CG C 13 36.08 0.1 . 1 . . . . . . . . 4263 1 107 . 1 1 11 11 GLU N N 15 122.03 0.1 . 1 . . . . . . . . 4263 1 108 . 1 1 12 12 SER H H 1 8.32 0.05 . 1 . . . . . . . . 4263 1 109 . 1 1 12 12 SER HA H 1 4.44 0.05 . 1 . . . . . . . . 4263 1 110 . 1 1 12 12 SER HB2 H 1 3.87 0.05 . 2 . . . . . . . . 4263 1 111 . 1 1 12 12 SER HB3 H 1 3.93 0.05 . 2 . . . . . . . . 4263 1 112 . 1 1 12 12 SER C C 13 174.38 0.1 . 1 . . . . . . . . 4263 1 113 . 1 1 12 12 SER CA C 13 58.13 0.1 . 1 . . . . . . . . 4263 1 114 . 1 1 12 12 SER CB C 13 63.50 0.1 . 1 . . . . . . . . 4263 1 115 . 1 1 12 12 SER N N 15 116.30 0.1 . 1 . . . . . . . . 4263 1 116 . 1 1 13 13 SER H H 1 8.25 0.05 . 1 . . . . . . . . 4263 1 117 . 1 1 13 13 SER HA H 1 4.47 0.05 . 1 . . . . . . . . 4263 1 118 . 1 1 13 13 SER HB2 H 1 3.88 0.05 . 1 . . . . . . . . 4263 1 119 . 1 1 13 13 SER HB3 H 1 3.88 0.05 . 1 . . . . . . . . 4263 1 120 . 1 1 13 13 SER C C 13 173.83 0.1 . 1 . . . . . . . . 4263 1 121 . 1 1 13 13 SER CA C 13 58.05 0.1 . 1 . . . . . . . . 4263 1 122 . 1 1 13 13 SER CB C 13 63.59 0.1 . 1 . . . . . . . . 4263 1 123 . 1 1 13 13 SER N N 15 118.00 0.1 . 1 . . . . . . . . 4263 1 124 . 1 1 14 14 LYS H H 1 8.12 0.05 . 1 . . . . . . . . 4263 1 125 . 1 1 14 14 LYS HA H 1 4.43 0.05 . 1 . . . . . . . . 4263 1 126 . 1 1 14 14 LYS HB2 H 1 1.63 0.05 . 1 . . . . . . . . 4263 1 127 . 1 1 14 14 LYS HB3 H 1 1.63 0.05 . 1 . . . . . . . . 4263 1 128 . 1 1 14 14 LYS HG2 H 1 1.31 0.05 . 2 . . . . . . . . 4263 1 129 . 1 1 14 14 LYS HG3 H 1 1.23 0.05 . 2 . . . . . . . . 4263 1 130 . 1 1 14 14 LYS HD2 H 1 1.61 0.05 . 1 . . . . . . . . 4263 1 131 . 1 1 14 14 LYS HD3 H 1 1.61 0.05 . 1 . . . . . . . . 4263 1 132 . 1 1 14 14 LYS HE2 H 1 2.88 0.05 . 1 . . . . . . . . 4263 1 133 . 1 1 14 14 LYS HE3 H 1 2.88 0.05 . 1 . . . . . . . . 4263 1 134 . 1 1 14 14 LYS CA C 13 55.07 0.1 . 1 . . . . . . . . 4263 1 135 . 1 1 14 14 LYS CB C 13 31.93 0.1 . 1 . . . . . . . . 4263 1 136 . 1 1 14 14 LYS CG C 13 24.52 0.1 . 1 . . . . . . . . 4263 1 137 . 1 1 14 14 LYS CD C 13 29.03 0.1 . 1 . . . . . . . . 4263 1 138 . 1 1 14 14 LYS CE C 13 42.02 0.1 . 1 . . . . . . . . 4263 1 139 . 1 1 14 14 LYS N N 15 124.15 0.1 . 1 . . . . . . . . 4263 1 140 . 1 1 15 15 PRO HA H 1 4.21 0.05 . 1 . . . . . . . . 4263 1 141 . 1 1 15 15 PRO HB2 H 1 1.59 0.05 . 2 . . . . . . . . 4263 1 142 . 1 1 15 15 PRO HB3 H 1 2.17 0.05 . 2 . . . . . . . . 4263 1 143 . 1 1 15 15 PRO HG2 H 1 1.77 0.05 . 1 . . . . . . . . 4263 1 144 . 1 1 15 15 PRO HG3 H 1 1.77 0.05 . 1 . . . . . . . . 4263 1 145 . 1 1 15 15 PRO HD2 H 1 3.63 0.05 . 1 . . . . . . . . 4263 1 146 . 1 1 15 15 PRO HD3 H 1 3.63 0.05 . 1 . . . . . . . . 4263 1 147 . 1 1 15 15 PRO C C 13 177.31 0.1 . 1 . . . . . . . . 4263 1 148 . 1 1 15 15 PRO CA C 13 63.21 0.1 . 1 . . . . . . . . 4263 1 149 . 1 1 15 15 PRO CB C 13 31.52 0.1 . 1 . . . . . . . . 4263 1 150 . 1 1 15 15 PRO CG C 13 27.19 0.1 . 1 . . . . . . . . 4263 1 151 . 1 1 15 15 PRO CD C 13 49.87 0.1 . 1 . . . . . . . . 4263 1 152 . 1 1 16 16 HIS H H 1 8.34 0.05 . 1 . . . . . . . . 4263 1 153 . 1 1 16 16 HIS HA H 1 4.38 0.05 . 1 . . . . . . . . 4263 1 154 . 1 1 16 16 HIS HB2 H 1 3.08 0.05 . 2 . . . . . . . . 4263 1 155 . 1 1 16 16 HIS HB3 H 1 3.01 0.05 . 2 . . . . . . . . 4263 1 156 . 1 1 16 16 HIS HD2 H 1 7.14 0.05 . 1 . . . . . . . . 4263 1 157 . 1 1 16 16 HIS C C 13 176.04 0.1 . 1 . . . . . . . . 4263 1 158 . 1 1 16 16 HIS CA C 13 56.92 0.1 . 1 . . . . . . . . 4263 1 159 . 1 1 16 16 HIS CB C 13 29.24 0.1 . 1 . . . . . . . . 4263 1 160 . 1 1 16 16 HIS N N 15 119.91 0.1 . 1 . . . . . . . . 4263 1 161 . 1 1 17 17 GLN H H 1 8.37 0.05 . 1 . . . . . . . . 4263 1 162 . 1 1 17 17 GLN HA H 1 4.06 0.05 . 1 . . . . . . . . 4263 1 163 . 1 1 17 17 GLN HB2 H 1 1.87 0.05 . 2 . . . . . . . . 4263 1 164 . 1 1 17 17 GLN HB3 H 1 1.80 0.05 . 2 . . . . . . . . 4263 1 165 . 1 1 17 17 GLN HG2 H 1 2.05 0.05 . 2 . . . . . . . . 4263 1 166 . 1 1 17 17 GLN HG3 H 1 1.98 0.05 . 2 . . . . . . . . 4263 1 167 . 1 1 17 17 GLN HE21 H 1 7.13 0.05 . 1 . . . . . . . . 4263 1 168 . 1 1 17 17 GLN HE22 H 1 6.81 0.05 . 1 . . . . . . . . 4263 1 169 . 1 1 17 17 GLN C C 13 176.42 0.1 . 1 . . . . . . . . 4263 1 170 . 1 1 17 17 GLN CA C 13 57.46 0.1 . 1 . . . . . . . . 4263 1 171 . 1 1 17 17 GLN CB C 13 28.85 0.1 . 1 . . . . . . . . 4263 1 172 . 1 1 17 17 GLN CG C 13 33.38 0.1 . 1 . . . . . . . . 4263 1 173 . 1 1 17 17 GLN N N 15 121.81 0.1 . 1 . . . . . . . . 4263 1 174 . 1 1 17 17 GLN NE2 N 15 112.36 0.1 . 1 . . . . . . . . 4263 1 175 . 1 1 18 18 TRP H H 1 8.56 0.05 . 1 . . . . . . . . 4263 1 176 . 1 1 18 18 TRP HA H 1 4.75 0.05 . 1 . . . . . . . . 4263 1 177 . 1 1 18 18 TRP HB2 H 1 3.22 0.05 . 2 . . . . . . . . 4263 1 178 . 1 1 18 18 TRP HB3 H 1 3.00 0.05 . 2 . . . . . . . . 4263 1 179 . 1 1 18 18 TRP HD1 H 1 6.96 0.05 . 1 . . . . . . . . 4263 1 180 . 1 1 18 18 TRP HE1 H 1 10.22 0.05 . 1 . . . . . . . . 4263 1 181 . 1 1 18 18 TRP HE3 H 1 6.96 0.05 . 1 . . . . . . . . 4263 1 182 . 1 1 18 18 TRP HZ2 H 1 7.31 0.05 . 1 . . . . . . . . 4263 1 183 . 1 1 18 18 TRP C C 13 177.93 0.1 . 1 . . . . . . . . 4263 1 184 . 1 1 18 18 TRP CA C 13 57.49 0.1 . 1 . . . . . . . . 4263 1 185 . 1 1 18 18 TRP CB C 13 27.93 0.1 . 1 . . . . . . . . 4263 1 186 . 1 1 18 18 TRP N N 15 120.33 0.1 . 1 . . . . . . . . 4263 1 187 . 1 1 18 18 TRP NE1 N 15 128.90 0.1 . 1 . . . . . . . . 4263 1 188 . 1 1 19 19 GLN H H 1 7.97 0.05 . 1 . . . . . . . . 4263 1 189 . 1 1 19 19 GLN HA H 1 4.15 0.05 . 1 . . . . . . . . 4263 1 190 . 1 1 19 19 GLN HB2 H 1 2.10 0.05 . 2 . . . . . . . . 4263 1 191 . 1 1 19 19 GLN HB3 H 1 2.19 0.05 . 2 . . . . . . . . 4263 1 192 . 1 1 19 19 GLN HG2 H 1 2.40 0.05 . 1 . . . . . . . . 4263 1 193 . 1 1 19 19 GLN HG3 H 1 2.40 0.05 . 1 . . . . . . . . 4263 1 194 . 1 1 19 19 GLN C C 13 178.09 0.1 . 1 . . . . . . . . 4263 1 195 . 1 1 19 19 GLN CA C 13 58.90 0.1 . 1 . . . . . . . . 4263 1 196 . 1 1 19 19 GLN CB C 13 28.02 0.1 . 1 . . . . . . . . 4263 1 197 . 1 1 19 19 GLN CG C 13 33.56 0.1 . 1 . . . . . . . . 4263 1 198 . 1 1 19 19 GLN N N 15 121.18 0.1 . 1 . . . . . . . . 4263 1 199 . 1 1 20 20 ALA H H 1 8.37 0.05 . 1 . . . . . . . . 4263 1 200 . 1 1 20 20 ALA HA H 1 4.24 0.05 . 1 . . . . . . . . 4263 1 201 . 1 1 20 20 ALA HB1 H 1 1.50 0.05 . 1 . . . . . . . . 4263 1 202 . 1 1 20 20 ALA HB2 H 1 1.50 0.05 . 1 . . . . . . . . 4263 1 203 . 1 1 20 20 ALA HB3 H 1 1.50 0.05 . 1 . . . . . . . . 4263 1 204 . 1 1 20 20 ALA C C 13 180.17 0.1 . 1 . . . . . . . . 4263 1 205 . 1 1 20 20 ALA CA C 13 54.42 0.1 . 1 . . . . . . . . 4263 1 206 . 1 1 20 20 ALA CB C 13 17.84 0.1 . 1 . . . . . . . . 4263 1 207 . 1 1 20 20 ALA N N 15 122.24 0.1 . 1 . . . . . . . . 4263 1 208 . 1 1 21 21 ASP H H 1 8.21 0.05 . 1 . . . . . . . . 4263 1 209 . 1 1 21 21 ASP HA H 1 4.49 0.05 . 1 . . . . . . . . 4263 1 210 . 1 1 21 21 ASP HB2 H 1 2.67 0.05 . 2 . . . . . . . . 4263 1 211 . 1 1 21 21 ASP HB3 H 1 3.00 0.05 . 2 . . . . . . . . 4263 1 212 . 1 1 21 21 ASP C C 13 177.33 0.1 . 1 . . . . . . . . 4263 1 213 . 1 1 21 21 ASP CA C 13 56.10 0.1 . 1 . . . . . . . . 4263 1 214 . 1 1 21 21 ASP CB C 13 39.34 0.1 . 1 . . . . . . . . 4263 1 215 . 1 1 21 21 ASP N N 15 119.69 0.1 . 1 . . . . . . . . 4263 1 216 . 1 1 22 22 GLU H H 1 7.90 0.05 . 1 . . . . . . . . 4263 1 217 . 1 1 22 22 GLU HA H 1 3.87 0.05 . 1 . . . . . . . . 4263 1 218 . 1 1 22 22 GLU HB2 H 1 2.30 0.05 . 1 . . . . . . . . 4263 1 219 . 1 1 22 22 GLU HB3 H 1 2.30 0.05 . 1 . . . . . . . . 4263 1 220 . 1 1 22 22 GLU HG2 H 1 2.21 0.05 . 1 . . . . . . . . 4263 1 221 . 1 1 22 22 GLU HG3 H 1 2.21 0.05 . 1 . . . . . . . . 4263 1 222 . 1 1 22 22 GLU C C 13 178.17 0.1 . 1 . . . . . . . . 4263 1 223 . 1 1 22 22 GLU CA C 13 60.03 0.1 . 1 . . . . . . . . 4263 1 224 . 1 1 22 22 GLU CB C 13 28.71 0.1 . 1 . . . . . . . . 4263 1 225 . 1 1 22 22 GLU CG C 13 36.15 0.1 . 1 . . . . . . . . 4263 1 226 . 1 1 22 22 GLU N N 15 120.33 0.1 . 1 . . . . . . . . 4263 1 227 . 1 1 23 23 GLU H H 1 7.73 0.05 . 1 . . . . . . . . 4263 1 228 . 1 1 23 23 GLU HA H 1 3.98 0.05 . 1 . . . . . . . . 4263 1 229 . 1 1 23 23 GLU HB2 H 1 2.11 0.05 . 1 . . . . . . . . 4263 1 230 . 1 1 23 23 GLU HB3 H 1 2.11 0.05 . 1 . . . . . . . . 4263 1 231 . 1 1 23 23 GLU HG2 H 1 2.37 0.05 . 1 . . . . . . . . 4263 1 232 . 1 1 23 23 GLU HG3 H 1 2.37 0.05 . 1 . . . . . . . . 4263 1 233 . 1 1 23 23 GLU C C 13 178.78 0.1 . 1 . . . . . . . . 4263 1 234 . 1 1 23 23 GLU CA C 13 58.77 0.1 . 1 . . . . . . . . 4263 1 235 . 1 1 23 23 GLU CB C 13 28.87 0.1 . 1 . . . . . . . . 4263 1 236 . 1 1 23 23 GLU CG C 13 35.85 0.1 . 1 . . . . . . . . 4263 1 237 . 1 1 23 23 GLU N N 15 118.21 0.1 . 1 . . . . . . . . 4263 1 238 . 1 1 24 24 ALA H H 1 7.86 0.05 . 1 . . . . . . . . 4263 1 239 . 1 1 24 24 ALA HA H 1 4.08 0.05 . 1 . . . . . . . . 4263 1 240 . 1 1 24 24 ALA HB1 H 1 1.36 0.05 . 1 . . . . . . . . 4263 1 241 . 1 1 24 24 ALA HB2 H 1 1.36 0.05 . 1 . . . . . . . . 4263 1 242 . 1 1 24 24 ALA HB3 H 1 1.36 0.05 . 1 . . . . . . . . 4263 1 243 . 1 1 24 24 ALA C C 13 179.32 0.1 . 1 . . . . . . . . 4263 1 244 . 1 1 24 24 ALA CA C 13 54.30 0.1 . 1 . . . . . . . . 4263 1 245 . 1 1 24 24 ALA CB C 13 17.52 0.1 . 1 . . . . . . . . 4263 1 246 . 1 1 24 24 ALA N N 15 123.52 0.1 . 1 . . . . . . . . 4263 1 247 . 1 1 25 25 VAL H H 1 8.57 0.05 . 1 . . . . . . . . 4263 1 248 . 1 1 25 25 VAL HA H 1 3.70 0.05 . 1 . . . . . . . . 4263 1 249 . 1 1 25 25 VAL HB H 1 2.11 0.05 . 1 . . . . . . . . 4263 1 250 . 1 1 25 25 VAL HG11 H 1 0.56 0.05 . 1 . . . . . . . . 4263 1 251 . 1 1 25 25 VAL HG12 H 1 0.56 0.05 . 1 . . . . . . . . 4263 1 252 . 1 1 25 25 VAL HG13 H 1 0.56 0.05 . 1 . . . . . . . . 4263 1 253 . 1 1 25 25 VAL HG21 H 1 1.00 0.05 . 1 . . . . . . . . 4263 1 254 . 1 1 25 25 VAL HG22 H 1 1.00 0.05 . 1 . . . . . . . . 4263 1 255 . 1 1 25 25 VAL HG23 H 1 1.00 0.05 . 1 . . . . . . . . 4263 1 256 . 1 1 25 25 VAL C C 13 179.24 0.1 . 1 . . . . . . . . 4263 1 257 . 1 1 25 25 VAL CA C 13 66.26 0.1 . 1 . . . . . . . . 4263 1 258 . 1 1 25 25 VAL CB C 13 31.39 0.1 . 1 . . . . . . . . 4263 1 259 . 1 1 25 25 VAL CG1 C 13 20.20 0.1 . 1 . . . . . . . . 4263 1 260 . 1 1 25 25 VAL CG2 C 13 23.34 0.1 . 1 . . . . . . . . 4263 1 261 . 1 1 25 25 VAL N N 15 121.18 0.1 . 1 . . . . . . . . 4263 1 262 . 1 1 26 26 ARG H H 1 8.08 0.05 . 1 . . . . . . . . 4263 1 263 . 1 1 26 26 ARG HA H 1 3.88 0.05 . 1 . . . . . . . . 4263 1 264 . 1 1 26 26 ARG HB2 H 1 1.86 0.05 . 2 . . . . . . . . 4263 1 265 . 1 1 26 26 ARG HB3 H 1 1.74 0.05 . 2 . . . . . . . . 4263 1 266 . 1 1 26 26 ARG HG2 H 1 1.52 0.05 . 1 . . . . . . . . 4263 1 267 . 1 1 26 26 ARG HG3 H 1 1.52 0.05 . 1 . . . . . . . . 4263 1 268 . 1 1 26 26 ARG HD2 H 1 3.10 0.05 . 1 . . . . . . . . 4263 1 269 . 1 1 26 26 ARG HD3 H 1 3.10 0.05 . 1 . . . . . . . . 4263 1 270 . 1 1 26 26 ARG C C 13 177.69 0.1 . 1 . . . . . . . . 4263 1 271 . 1 1 26 26 ARG CA C 13 60.03 0.1 . 1 . . . . . . . . 4263 1 272 . 1 1 26 26 ARG CB C 13 29.87 0.1 . 1 . . . . . . . . 4263 1 273 . 1 1 26 26 ARG CG C 13 29.76 0.1 . 1 . . . . . . . . 4263 1 274 . 1 1 26 26 ARG CD C 13 42.72 0.1 . 1 . . . . . . . . 4263 1 275 . 1 1 26 26 ARG N N 15 119.03 0.1 . 1 . . . . . . . . 4263 1 276 . 1 1 27 27 SER H H 1 8.02 0.05 . 1 . . . . . . . . 4263 1 277 . 1 1 27 27 SER HA H 1 4.48 0.05 . 1 . . . . . . . . 4263 1 278 . 1 1 27 27 SER HB2 H 1 3.93 0.05 . 2 . . . . . . . . 4263 1 279 . 1 1 27 27 SER HB3 H 1 3.87 0.05 . 2 . . . . . . . . 4263 1 280 . 1 1 27 27 SER C C 13 172.81 0.1 . 1 . . . . . . . . 4263 1 281 . 1 1 27 27 SER CA C 13 58.05 0.1 . 1 . . . . . . . . 4263 1 282 . 1 1 27 27 SER CB C 13 63.59 0.1 . 1 . . . . . . . . 4263 1 283 . 1 1 27 27 SER N N 15 112.48 0.1 . 1 . . . . . . . . 4263 1 284 . 1 1 28 28 ALA H H 1 8.12 0.05 . 1 . . . . . . . . 4263 1 285 . 1 1 28 28 ALA HA H 1 4.16 0.05 . 1 . . . . . . . . 4263 1 286 . 1 1 28 28 ALA HB1 H 1 1.54 0.05 . 1 . . . . . . . . 4263 1 287 . 1 1 28 28 ALA HB2 H 1 1.54 0.05 . 1 . . . . . . . . 4263 1 288 . 1 1 28 28 ALA HB3 H 1 1.54 0.05 . 1 . . . . . . . . 4263 1 289 . 1 1 28 28 ALA C C 13 176.20 0.1 . 1 . . . . . . . . 4263 1 290 . 1 1 28 28 ALA CA C 13 53.12 0.1 . 1 . . . . . . . . 4263 1 291 . 1 1 28 28 ALA CB C 13 16.83 0.1 . 1 . . . . . . . . 4263 1 292 . 1 1 28 28 ALA N N 15 124.15 0.1 . 1 . . . . . . . . 4263 1 293 . 1 1 29 29 THR H H 1 8.59 0.05 . 1 . . . . . . . . 4263 1 294 . 1 1 29 29 THR HA H 1 4.53 0.05 . 1 . . . . . . . . 4263 1 295 . 1 1 29 29 THR HB H 1 4.34 0.05 . 1 . . . . . . . . 4263 1 296 . 1 1 29 29 THR HG21 H 1 1.06 0.05 . 1 . . . . . . . . 4263 1 297 . 1 1 29 29 THR HG22 H 1 1.06 0.05 . 1 . . . . . . . . 4263 1 298 . 1 1 29 29 THR HG23 H 1 1.06 0.05 . 1 . . . . . . . . 4263 1 299 . 1 1 29 29 THR C C 13 173.61 0.1 . 1 . . . . . . . . 4263 1 300 . 1 1 29 29 THR CA C 13 60.74 0.1 . 1 . . . . . . . . 4263 1 301 . 1 1 29 29 THR CB C 13 69.57 0.1 . 1 . . . . . . . . 4263 1 302 . 1 1 29 29 THR CG2 C 13 21.31 0.1 . 1 . . . . . . . . 4263 1 303 . 1 1 29 29 THR N N 15 108.03 0.1 . 1 . . . . . . . . 4263 1 304 . 1 1 30 30 CYS H H 1 7.45 0.05 . 1 . . . . . . . . 4263 1 305 . 1 1 30 30 CYS HA H 1 4.22 0.05 . 1 . . . . . . . . 4263 1 306 . 1 1 30 30 CYS HB2 H 1 2.20 0.05 . 2 . . . . . . . . 4263 1 307 . 1 1 30 30 CYS HB3 H 1 3.08 0.05 . 2 . . . . . . . . 4263 1 308 . 1 1 30 30 CYS C C 13 173.00 0.1 . 1 . . . . . . . . 4263 1 309 . 1 1 30 30 CYS CA C 13 58.34 0.1 . 1 . . . . . . . . 4263 1 310 . 1 1 30 30 CYS CB C 13 27.39 0.1 . 1 . . . . . . . . 4263 1 311 . 1 1 30 30 CYS N N 15 124.15 0.1 . 1 . . . . . . . . 4263 1 312 . 1 1 31 31 SER H H 1 8.00 0.05 . 1 . . . . . . . . 4263 1 313 . 1 1 31 31 SER HA H 1 5.43 0.05 . 1 . . . . . . . . 4263 1 314 . 1 1 31 31 SER HB2 H 1 3.42 0.05 . 2 . . . . . . . . 4263 1 315 . 1 1 31 31 SER HB3 H 1 3.03 0.05 . 2 . . . . . . . . 4263 1 316 . 1 1 31 31 SER C C 13 172.07 0.1 . 1 . . . . . . . . 4263 1 317 . 1 1 31 31 SER CA C 13 56.49 0.1 . 1 . . . . . . . . 4263 1 318 . 1 1 31 31 SER CB C 13 65.51 0.1 . 1 . . . . . . . . 4263 1 319 . 1 1 31 31 SER N N 15 124.58 0.1 . 1 . . . . . . . . 4263 1 320 . 1 1 32 32 PHE H H 1 8.58 0.05 . 1 . . . . . . . . 4263 1 321 . 1 1 32 32 PHE HA H 1 5.02 0.05 . 1 . . . . . . . . 4263 1 322 . 1 1 32 32 PHE HB2 H 1 2.33 0.05 . 2 . . . . . . . . 4263 1 323 . 1 1 32 32 PHE HB3 H 1 2.91 0.05 . 2 . . . . . . . . 4263 1 324 . 1 1 32 32 PHE HD1 H 1 6.94 0.05 . 1 . . . . . . . . 4263 1 325 . 1 1 32 32 PHE HD2 H 1 6.94 0.05 . 1 . . . . . . . . 4263 1 326 . 1 1 32 32 PHE HE1 H 1 6.95 0.05 . 1 . . . . . . . . 4263 1 327 . 1 1 32 32 PHE HE2 H 1 6.95 0.05 . 1 . . . . . . . . 4263 1 328 . 1 1 32 32 PHE C C 13 175.29 0.1 . 1 . . . . . . . . 4263 1 329 . 1 1 32 32 PHE CA C 13 55.51 0.1 . 1 . . . . . . . . 4263 1 330 . 1 1 32 32 PHE CB C 13 43.86 0.1 . 1 . . . . . . . . 4263 1 331 . 1 1 32 32 PHE N N 15 116.30 0.1 . 1 . . . . . . . . 4263 1 332 . 1 1 33 33 SER H H 1 9.37 0.05 . 1 . . . . . . . . 4263 1 333 . 1 1 33 33 SER HA H 1 4.95 0.05 . 1 . . . . . . . . 4263 1 334 . 1 1 33 33 SER HB2 H 1 3.97 0.05 . 1 . . . . . . . . 4263 1 335 . 1 1 33 33 SER HB3 H 1 3.97 0.05 . 1 . . . . . . . . 4263 1 336 . 1 1 33 33 SER C C 13 175.67 0.1 . 1 . . . . . . . . 4263 1 337 . 1 1 33 33 SER CA C 13 58.88 0.1 . 1 . . . . . . . . 4263 1 338 . 1 1 33 33 SER CB C 13 62.85 0.1 . 1 . . . . . . . . 4263 1 339 . 1 1 33 33 SER N N 15 119.70 0.1 . 1 . . . . . . . . 4263 1 340 . 1 1 34 34 VAL H H 1 9.18 0.05 . 1 . . . . . . . . 4263 1 341 . 1 1 34 34 VAL HA H 1 5.46 0.05 . 1 . . . . . . . . 4263 1 342 . 1 1 34 34 VAL HB H 1 2.38 0.05 . 1 . . . . . . . . 4263 1 343 . 1 1 34 34 VAL HG11 H 1 0.93 0.05 . 1 . . . . . . . . 4263 1 344 . 1 1 34 34 VAL HG12 H 1 0.93 0.05 . 1 . . . . . . . . 4263 1 345 . 1 1 34 34 VAL HG13 H 1 0.93 0.05 . 1 . . . . . . . . 4263 1 346 . 1 1 34 34 VAL HG21 H 1 0.93 0.05 . 1 . . . . . . . . 4263 1 347 . 1 1 34 34 VAL HG22 H 1 0.93 0.05 . 1 . . . . . . . . 4263 1 348 . 1 1 34 34 VAL HG23 H 1 0.93 0.05 . 1 . . . . . . . . 4263 1 349 . 1 1 34 34 VAL C C 13 174.52 0.1 . 1 . . . . . . . . 4263 1 350 . 1 1 34 34 VAL CA C 13 60.06 0.1 . 1 . . . . . . . . 4263 1 351 . 1 1 34 34 VAL CB C 13 37.85 0.1 . 1 . . . . . . . . 4263 1 352 . 1 1 34 34 VAL CG1 C 13 22.16 0.1 . 1 . . . . . . . . 4263 1 353 . 1 1 34 34 VAL CG2 C 13 17.69 0.1 . 1 . . . . . . . . 4263 1 354 . 1 1 34 34 VAL N N 15 120.76 0.1 . 1 . . . . . . . . 4263 1 355 . 1 1 35 35 LYS H H 1 9.16 0.05 . 1 . . . . . . . . 4263 1 356 . 1 1 35 35 LYS HA H 1 4.99 0.05 . 1 . . . . . . . . 4263 1 357 . 1 1 35 35 LYS HB2 H 1 1.86 0.05 . 2 . . . . . . . . 4263 1 358 . 1 1 35 35 LYS HB3 H 1 1.45 0.05 . 2 . . . . . . . . 4263 1 359 . 1 1 35 35 LYS HG2 H 1 1.22 0.05 . 1 . . . . . . . . 4263 1 360 . 1 1 35 35 LYS HG3 H 1 1.22 0.05 . 1 . . . . . . . . 4263 1 361 . 1 1 35 35 LYS HD2 H 1 1.61 0.05 . 1 . . . . . . . . 4263 1 362 . 1 1 35 35 LYS HD3 H 1 1.61 0.05 . 1 . . . . . . . . 4263 1 363 . 1 1 35 35 LYS C C 13 175.60 0.1 . 1 . . . . . . . . 4263 1 364 . 1 1 35 35 LYS CA C 13 55.37 0.1 . 1 . . . . . . . . 4263 1 365 . 1 1 35 35 LYS CB C 13 33.58 0.1 . 1 . . . . . . . . 4263 1 366 . 1 1 35 35 LYS CG C 13 25.77 0.1 . 1 . . . . . . . . 4263 1 367 . 1 1 35 35 LYS CD C 13 29.65 0.1 . 1 . . . . . . . . 4263 1 368 . 1 1 35 35 LYS N N 15 119.06 0.1 . 1 . . . . . . . . 4263 1 369 . 1 1 36 36 TYR H H 1 9.67 0.05 . 1 . . . . . . . . 4263 1 370 . 1 1 36 36 TYR HA H 1 4.75 0.05 . 1 . . . . . . . . 4263 1 371 . 1 1 36 36 TYR HB2 H 1 2.77 0.05 . 2 . . . . . . . . 4263 1 372 . 1 1 36 36 TYR HB3 H 1 2.87 0.05 . 2 . . . . . . . . 4263 1 373 . 1 1 36 36 TYR HD1 H 1 6.43 0.05 . 1 . . . . . . . . 4263 1 374 . 1 1 36 36 TYR HD2 H 1 6.43 0.05 . 1 . . . . . . . . 4263 1 375 . 1 1 36 36 TYR HE1 H 1 6.59 0.05 . 1 . . . . . . . . 4263 1 376 . 1 1 36 36 TYR HE2 H 1 6.59 0.05 . 1 . . . . . . . . 4263 1 377 . 1 1 36 36 TYR C C 13 175.28 0.1 . 1 . . . . . . . . 4263 1 378 . 1 1 36 36 TYR CA C 13 56.06 0.1 . 1 . . . . . . . . 4263 1 379 . 1 1 36 36 TYR CB C 13 38.60 0.1 . 1 . . . . . . . . 4263 1 380 . 1 1 36 36 TYR N N 15 125.00 0.1 . 1 . . . . . . . . 4263 1 381 . 1 1 37 37 LEU H H 1 8.35 0.05 . 1 . . . . . . . . 4263 1 382 . 1 1 37 37 LEU HA H 1 3.99 0.05 . 1 . . . . . . . . 4263 1 383 . 1 1 37 37 LEU HB2 H 1 1.34 0.05 . 1 . . . . . . . . 4263 1 384 . 1 1 37 37 LEU HB3 H 1 1.34 0.05 . 1 . . . . . . . . 4263 1 385 . 1 1 37 37 LEU HG H 1 1.01 0.05 . 1 . . . . . . . . 4263 1 386 . 1 1 37 37 LEU HD11 H 1 0.56 0.05 . 1 . . . . . . . . 4263 1 387 . 1 1 37 37 LEU HD12 H 1 0.56 0.05 . 1 . . . . . . . . 4263 1 388 . 1 1 37 37 LEU HD13 H 1 0.56 0.05 . 1 . . . . . . . . 4263 1 389 . 1 1 37 37 LEU HD21 H 1 0.62 0.05 . 1 . . . . . . . . 4263 1 390 . 1 1 37 37 LEU HD22 H 1 0.62 0.05 . 1 . . . . . . . . 4263 1 391 . 1 1 37 37 LEU HD23 H 1 0.62 0.05 . 1 . . . . . . . . 4263 1 392 . 1 1 37 37 LEU C C 13 175.14 0.1 . 1 . . . . . . . . 4263 1 393 . 1 1 37 37 LEU CA C 13 54.42 0.1 . 1 . . . . . . . . 4263 1 394 . 1 1 37 37 LEU CB C 13 42.47 0.1 . 1 . . . . . . . . 4263 1 395 . 1 1 37 37 LEU CG C 13 21.83 0.1 . 1 . . . . . . . . 4263 1 396 . 1 1 37 37 LEU CD1 C 13 25.63 0.1 . 1 . . . . . . . . 4263 1 397 . 1 1 37 37 LEU CD2 C 13 21.45 0.1 . 1 . . . . . . . . 4263 1 398 . 1 1 37 37 LEU N N 15 127.55 0.1 . 1 . . . . . . . . 4263 1 399 . 1 1 38 38 GLY H H 1 5.12 0.05 . 1 . . . . . . . . 4263 1 400 . 1 1 38 38 GLY HA2 H 1 2.83 0.05 . 2 . . . . . . . . 4263 1 401 . 1 1 38 38 GLY HA3 H 1 4.11 0.05 . 2 . . . . . . . . 4263 1 402 . 1 1 38 38 GLY C C 13 169.95 0.1 . 1 . . . . . . . . 4263 1 403 . 1 1 38 38 GLY CA C 13 43.17 0.1 . 1 . . . . . . . . 4263 1 404 . 1 1 38 38 GLY N N 15 102.94 0.1 . 1 . . . . . . . . 4263 1 405 . 1 1 39 39 CYS H H 1 7.90 0.05 . 1 . . . . . . . . 4263 1 406 . 1 1 39 39 CYS HA H 1 5.77 0.05 . 1 . . . . . . . . 4263 1 407 . 1 1 39 39 CYS HB2 H 1 1.65 0.05 . 2 . . . . . . . . 4263 1 408 . 1 1 39 39 CYS HB3 H 1 1.57 0.05 . 2 . . . . . . . . 4263 1 409 . 1 1 39 39 CYS C C 13 173.13 0.1 . 1 . . . . . . . . 4263 1 410 . 1 1 39 39 CYS CA C 13 52.99 0.1 . 1 . . . . . . . . 4263 1 411 . 1 1 39 39 CYS CB C 13 30.33 0.1 . 1 . . . . . . . . 4263 1 412 . 1 1 39 39 CYS N N 15 111.00 0.1 . 1 . . . . . . . . 4263 1 413 . 1 1 40 40 VAL H H 1 8.35 0.05 . 1 . . . . . . . . 4263 1 414 . 1 1 40 40 VAL HA H 1 4.38 0.05 . 1 . . . . . . . . 4263 1 415 . 1 1 40 40 VAL HB H 1 1.95 0.05 . 1 . . . . . . . . 4263 1 416 . 1 1 40 40 VAL HG11 H 1 0.78 0.05 . 1 . . . . . . . . 4263 1 417 . 1 1 40 40 VAL HG12 H 1 0.78 0.05 . 1 . . . . . . . . 4263 1 418 . 1 1 40 40 VAL HG13 H 1 0.78 0.05 . 1 . . . . . . . . 4263 1 419 . 1 1 40 40 VAL HG21 H 1 0.89 0.05 . 1 . . . . . . . . 4263 1 420 . 1 1 40 40 VAL HG22 H 1 0.89 0.05 . 1 . . . . . . . . 4263 1 421 . 1 1 40 40 VAL HG23 H 1 0.89 0.05 . 1 . . . . . . . . 4263 1 422 . 1 1 40 40 VAL C C 13 172.40 0.1 . 1 . . . . . . . . 4263 1 423 . 1 1 40 40 VAL CA C 13 58.87 0.1 . 1 . . . . . . . . 4263 1 424 . 1 1 40 40 VAL CB C 13 35.62 0.1 . 1 . . . . . . . . 4263 1 425 . 1 1 40 40 VAL CG1 C 13 20.46 0.1 . 1 . . . . . . . . 4263 1 426 . 1 1 40 40 VAL CG2 C 13 20.09 0.1 . 1 . . . . . . . . 4263 1 427 . 1 1 40 40 VAL N N 15 117.79 0.1 . 1 . . . . . . . . 4263 1 428 . 1 1 41 41 GLU H H 1 8.41 0.05 . 1 . . . . . . . . 4263 1 429 . 1 1 41 41 GLU HA H 1 5.02 0.05 . 1 . . . . . . . . 4263 1 430 . 1 1 41 41 GLU HB2 H 1 1.71 0.05 . 1 . . . . . . . . 4263 1 431 . 1 1 41 41 GLU HB3 H 1 1.71 0.05 . 1 . . . . . . . . 4263 1 432 . 1 1 41 41 GLU C C 13 175.98 0.1 . 1 . . . . . . . . 4263 1 433 . 1 1 41 41 GLU CA C 13 56.60 0.1 . 1 . . . . . . . . 4263 1 434 . 1 1 41 41 GLU CB C 13 29.22 0.1 . 1 . . . . . . . . 4263 1 435 . 1 1 41 41 GLU CG C 13 35.85 0.1 . 1 . . . . . . . . 4263 1 436 . 1 1 41 41 GLU N N 15 127.97 0.1 . 1 . . . . . . . . 4263 1 437 . 1 1 42 42 VAL H H 1 8.27 0.05 . 1 . . . . . . . . 4263 1 438 . 1 1 42 42 VAL HA H 1 4.41 0.05 . 1 . . . . . . . . 4263 1 439 . 1 1 42 42 VAL HB H 1 2.22 0.05 . 1 . . . . . . . . 4263 1 440 . 1 1 42 42 VAL HG11 H 1 0.79 0.05 . 1 . . . . . . . . 4263 1 441 . 1 1 42 42 VAL HG12 H 1 0.79 0.05 . 1 . . . . . . . . 4263 1 442 . 1 1 42 42 VAL HG13 H 1 0.79 0.05 . 1 . . . . . . . . 4263 1 443 . 1 1 42 42 VAL HG21 H 1 0.67 0.05 . 1 . . . . . . . . 4263 1 444 . 1 1 42 42 VAL HG22 H 1 0.67 0.05 . 1 . . . . . . . . 4263 1 445 . 1 1 42 42 VAL HG23 H 1 0.67 0.05 . 1 . . . . . . . . 4263 1 446 . 1 1 42 42 VAL C C 13 174.82 0.1 . 1 . . . . . . . . 4263 1 447 . 1 1 42 42 VAL CA C 13 58.30 0.1 . 1 . . . . . . . . 4263 1 448 . 1 1 42 42 VAL CB C 13 34.98 0.1 . 1 . . . . . . . . 4263 1 449 . 1 1 42 42 VAL CG1 C 13 23.59 0.1 . 1 . . . . . . . . 4263 1 450 . 1 1 42 42 VAL CG2 C 13 18.62 0.1 . 1 . . . . . . . . 4263 1 451 . 1 1 42 42 VAL N N 15 118.42 0.1 . 1 . . . . . . . . 4263 1 452 . 1 1 43 43 PHE H H 1 8.71 0.05 . 1 . . . . . . . . 4263 1 453 . 1 1 43 43 PHE HA H 1 4.88 0.05 . 1 . . . . . . . . 4263 1 454 . 1 1 43 43 PHE HB2 H 1 3.58 0.05 . 2 . . . . . . . . 4263 1 455 . 1 1 43 43 PHE HB3 H 1 2.76 0.05 . 2 . . . . . . . . 4263 1 456 . 1 1 43 43 PHE HD1 H 1 7.32 0.05 . 1 . . . . . . . . 4263 1 457 . 1 1 43 43 PHE HD2 H 1 7.32 0.05 . 1 . . . . . . . . 4263 1 458 . 1 1 43 43 PHE HE1 H 1 7.32 0.05 . 1 . . . . . . . . 4263 1 459 . 1 1 43 43 PHE HE2 H 1 7.32 0.05 . 1 . . . . . . . . 4263 1 460 . 1 1 43 43 PHE C C 13 174.68 0.1 . 1 . . . . . . . . 4263 1 461 . 1 1 43 43 PHE CA C 13 58.02 0.1 . 1 . . . . . . . . 4263 1 462 . 1 1 43 43 PHE CB C 13 39.32 0.1 . 1 . . . . . . . . 4263 1 463 . 1 1 43 43 PHE N N 15 116.09 0.1 . 1 . . . . . . . . 4263 1 464 . 1 1 44 44 GLU H H 1 7.18 0.05 . 1 . . . . . . . . 4263 1 465 . 1 1 44 44 GLU HA H 1 4.29 0.05 . 1 . . . . . . . . 4263 1 466 . 1 1 44 44 GLU HB2 H 1 2.04 0.05 . 2 . . . . . . . . 4263 1 467 . 1 1 44 44 GLU HB3 H 1 1.63 0.05 . 2 . . . . . . . . 4263 1 468 . 1 1 44 44 GLU HG2 H 1 2.20 0.05 . 1 . . . . . . . . 4263 1 469 . 1 1 44 44 GLU HG3 H 1 2.20 0.05 . 1 . . . . . . . . 4263 1 470 . 1 1 44 44 GLU C C 13 173.06 0.1 . 1 . . . . . . . . 4263 1 471 . 1 1 44 44 GLU CA C 13 53.99 0.1 . 1 . . . . . . . . 4263 1 472 . 1 1 44 44 GLU CB C 13 34.11 0.1 . 1 . . . . . . . . 4263 1 473 . 1 1 44 44 GLU CG C 13 36.17 0.1 . 1 . . . . . . . . 4263 1 474 . 1 1 44 44 GLU N N 15 117.79 0.1 . 1 . . . . . . . . 4263 1 475 . 1 1 45 45 SER H H 1 7.58 0.05 . 1 . . . . . . . . 4263 1 476 . 1 1 45 45 SER HA H 1 2.98 0.05 . 1 . . . . . . . . 4263 1 477 . 1 1 45 45 SER HB2 H 1 1.48 0.05 . 2 . . . . . . . . 4263 1 478 . 1 1 45 45 SER HB3 H 1 2.86 0.05 . 2 . . . . . . . . 4263 1 479 . 1 1 45 45 SER C C 13 173.43 0.1 . 1 . . . . . . . . 4263 1 480 . 1 1 45 45 SER CA C 13 57.68 0.1 . 1 . . . . . . . . 4263 1 481 . 1 1 45 45 SER CB C 13 63.03 0.1 . 1 . . . . . . . . 4263 1 482 . 1 1 45 45 SER N N 15 110.15 0.1 . 1 . . . . . . . . 4263 1 483 . 1 1 46 46 ARG H H 1 6.83 0.05 . 1 . . . . . . . . 4263 1 484 . 1 1 46 46 ARG HA H 1 3.56 0.05 . 1 . . . . . . . . 4263 1 485 . 1 1 46 46 ARG HB2 H 1 1.42 0.05 . 2 . . . . . . . . 4263 1 486 . 1 1 46 46 ARG HB3 H 1 1.06 0.05 . 2 . . . . . . . . 4263 1 487 . 1 1 46 46 ARG HG2 H 1 1.33 0.05 . 1 . . . . . . . . 4263 1 488 . 1 1 46 46 ARG HG3 H 1 1.33 0.05 . 1 . . . . . . . . 4263 1 489 . 1 1 46 46 ARG HD2 H 1 3.04 0.05 . 1 . . . . . . . . 4263 1 490 . 1 1 46 46 ARG HD3 H 1 3.04 0.05 . 1 . . . . . . . . 4263 1 491 . 1 1 46 46 ARG C C 13 173.17 0.1 . 1 . . . . . . . . 4263 1 492 . 1 1 46 46 ARG CA C 13 53.66 0.1 . 1 . . . . . . . . 4263 1 493 . 1 1 46 46 ARG CB C 13 33.67 0.1 . 1 . . . . . . . . 4263 1 494 . 1 1 46 46 ARG CG C 13 25.20 0.1 . 1 . . . . . . . . 4263 1 495 . 1 1 46 46 ARG CD C 13 43.78 0.1 . 1 . . . . . . . . 4263 1 496 . 1 1 46 46 ARG N N 15 114.39 0.1 . 1 . . . . . . . . 4263 1 497 . 1 1 47 47 GLY H H 1 3.15 0.05 . 1 . . . . . . . . 4263 1 498 . 1 1 47 47 GLY HA2 H 1 4.28 0.05 . 2 . . . . . . . . 4263 1 499 . 1 1 47 47 GLY HA3 H 1 3.31 0.05 . 2 . . . . . . . . 4263 1 500 . 1 1 47 47 GLY C C 13 173.48 0.1 . 1 . . . . . . . . 4263 1 501 . 1 1 47 47 GLY CA C 13 44.41 0.1 . 1 . . . . . . . . 4263 1 502 . 1 1 47 47 GLY N N 15 103.79 0.1 . 1 . . . . . . . . 4263 1 503 . 1 1 48 48 MET H H 1 9.10 0.05 . 1 . . . . . . . . 4263 1 504 . 1 1 48 48 MET HA H 1 4.03 0.05 . 1 . . . . . . . . 4263 1 505 . 1 1 48 48 MET HB2 H 1 2.16 0.05 . 2 . . . . . . . . 4263 1 506 . 1 1 48 48 MET HB3 H 1 2.11 0.05 . 2 . . . . . . . . 4263 1 507 . 1 1 48 48 MET HG2 H 1 2.87 0.05 . 2 . . . . . . . . 4263 1 508 . 1 1 48 48 MET HG3 H 1 2.66 0.05 . 2 . . . . . . . . 4263 1 509 . 1 1 48 48 MET HE1 H 1 2.21 0.05 . 1 . . . . . . . . 4263 1 510 . 1 1 48 48 MET HE2 H 1 2.21 0.05 . 1 . . . . . . . . 4263 1 511 . 1 1 48 48 MET HE3 H 1 2.21 0.05 . 1 . . . . . . . . 4263 1 512 . 1 1 48 48 MET CA C 13 59.92 0.1 . 1 . . . . . . . . 4263 1 513 . 1 1 48 48 MET CB C 13 32.59 0.1 . 1 . . . . . . . . 4263 1 514 . 1 1 48 48 MET CG C 13 32.80 0.1 . 1 . . . . . . . . 4263 1 515 . 1 1 48 48 MET CE C 13 17.04 0.1 . 1 . . . . . . . . 4263 1 516 . 1 1 48 48 MET N N 15 128.18 0.1 . 1 . . . . . . . . 4263 1 517 . 1 1 49 49 GLN H H 1 8.84 0.05 . 1 . . . . . . . . 4263 1 518 . 1 1 49 49 GLN HA H 1 4.16 0.05 . 1 . . . . . . . . 4263 1 519 . 1 1 49 49 GLN HB2 H 1 2.43 0.05 . 2 . . . . . . . . 4263 1 520 . 1 1 49 49 GLN HB3 H 1 2.07 0.05 . 2 . . . . . . . . 4263 1 521 . 1 1 49 49 GLN HG2 H 1 2.46 0.05 . 1 . . . . . . . . 4263 1 522 . 1 1 49 49 GLN HG3 H 1 2.46 0.05 . 1 . . . . . . . . 4263 1 523 . 1 1 49 49 GLN C C 13 177.49 0.1 . 1 . . . . . . . . 4263 1 524 . 1 1 49 49 GLN CA C 13 58.77 0.1 . 1 . . . . . . . . 4263 1 525 . 1 1 49 49 GLN CB C 13 27.37 0.1 . 1 . . . . . . . . 4263 1 526 . 1 1 49 49 GLN CG C 13 33.89 0.1 . 1 . . . . . . . . 4263 1 527 . 1 1 49 49 GLN N N 15 118.42 0.1 . 1 . . . . . . . . 4263 1 528 . 1 1 50 50 VAL H H 1 6.86 0.05 . 1 . . . . . . . . 4263 1 529 . 1 1 50 50 VAL HA H 1 3.61 0.05 . 1 . . . . . . . . 4263 1 530 . 1 1 50 50 VAL HB H 1 1.96 0.05 . 1 . . . . . . . . 4263 1 531 . 1 1 50 50 VAL HG11 H 1 0.81 0.05 . 1 . . . . . . . . 4263 1 532 . 1 1 50 50 VAL HG12 H 1 0.81 0.05 . 1 . . . . . . . . 4263 1 533 . 1 1 50 50 VAL HG13 H 1 0.81 0.05 . 1 . . . . . . . . 4263 1 534 . 1 1 50 50 VAL HG21 H 1 0.85 0.05 . 1 . . . . . . . . 4263 1 535 . 1 1 50 50 VAL HG22 H 1 0.85 0.05 . 1 . . . . . . . . 4263 1 536 . 1 1 50 50 VAL HG23 H 1 0.85 0.05 . 1 . . . . . . . . 4263 1 537 . 1 1 50 50 VAL C C 13 178.84 0.1 . 1 . . . . . . . . 4263 1 538 . 1 1 50 50 VAL CA C 13 65.21 0.1 . 1 . . . . . . . . 4263 1 539 . 1 1 50 50 VAL CB C 13 31.17 0.1 . 1 . . . . . . . . 4263 1 540 . 1 1 50 50 VAL CG1 C 13 20.79 0.1 . 1 . . . . . . . . 4263 1 541 . 1 1 50 50 VAL CG2 C 13 22.31 0.1 . 1 . . . . . . . . 4263 1 542 . 1 1 50 50 VAL N N 15 120.12 0.1 . 1 . . . . . . . . 4263 1 543 . 1 1 51 51 CYS H H 1 7.12 0.05 . 1 . . . . . . . . 4263 1 544 . 1 1 51 51 CYS HA H 1 4.18 0.05 . 1 . . . . . . . . 4263 1 545 . 1 1 51 51 CYS HB2 H 1 3.00 0.05 . 2 . . . . . . . . 4263 1 546 . 1 1 51 51 CYS HB3 H 1 3.16 0.05 . 2 . . . . . . . . 4263 1 547 . 1 1 51 51 CYS C C 13 176.19 0.1 . 1 . . . . . . . . 4263 1 548 . 1 1 51 51 CYS CA C 13 63.35 0.1 . 1 . . . . . . . . 4263 1 549 . 1 1 51 51 CYS CB C 13 27.09 0.1 . 1 . . . . . . . . 4263 1 550 . 1 1 51 51 CYS N N 15 118.63 0.1 . 1 . . . . . . . . 4263 1 551 . 1 1 52 52 GLU H H 1 8.45 0.05 . 1 . . . . . . . . 4263 1 552 . 1 1 52 52 GLU HA H 1 3.87 0.05 . 1 . . . . . . . . 4263 1 553 . 1 1 52 52 GLU HB2 H 1 1.97 0.05 . 1 . . . . . . . . 4263 1 554 . 1 1 52 52 GLU HB3 H 1 1.97 0.05 . 1 . . . . . . . . 4263 1 555 . 1 1 52 52 GLU HG2 H 1 2.55 0.05 . 2 . . . . . . . . 4263 1 556 . 1 1 52 52 GLU HG3 H 1 2.50 0.05 . 2 . . . . . . . . 4263 1 557 . 1 1 52 52 GLU C C 13 180.10 0.1 . 1 . . . . . . . . 4263 1 558 . 1 1 52 52 GLU CA C 13 59.46 0.1 . 1 . . . . . . . . 4263 1 559 . 1 1 52 52 GLU CB C 13 29.22 0.1 . 1 . . . . . . . . 4263 1 560 . 1 1 52 52 GLU CG C 13 36.89 0.1 . 1 . . . . . . . . 4263 1 561 . 1 1 52 52 GLU N N 15 119.69 0.1 . 1 . . . . . . . . 4263 1 562 . 1 1 53 53 GLU H H 1 8.18 0.05 . 1 . . . . . . . . 4263 1 563 . 1 1 53 53 GLU HA H 1 4.04 0.05 . 1 . . . . . . . . 4263 1 564 . 1 1 53 53 GLU HB2 H 1 2.11 0.05 . 1 . . . . . . . . 4263 1 565 . 1 1 53 53 GLU HB3 H 1 2.11 0.05 . 1 . . . . . . . . 4263 1 566 . 1 1 53 53 GLU HG2 H 1 2.43 0.05 . 2 . . . . . . . . 4263 1 567 . 1 1 53 53 GLU HG3 H 1 2.38 0.05 . 2 . . . . . . . . 4263 1 568 . 1 1 53 53 GLU C C 13 178.46 0.1 . 1 . . . . . . . . 4263 1 569 . 1 1 53 53 GLU CA C 13 58.66 0.1 . 1 . . . . . . . . 4263 1 570 . 1 1 53 53 GLU CB C 13 28.78 0.1 . 1 . . . . . . . . 4263 1 571 . 1 1 53 53 GLU CG C 13 35.96 0.1 . 1 . . . . . . . . 4263 1 572 . 1 1 53 53 GLU N N 15 119.69 0.1 . 1 . . . . . . . . 4263 1 573 . 1 1 54 54 ALA H H 1 7.62 0.05 . 1 . . . . . . . . 4263 1 574 . 1 1 54 54 ALA HA H 1 4.02 0.05 . 1 . . . . . . . . 4263 1 575 . 1 1 54 54 ALA HB1 H 1 1.32 0.05 . 1 . . . . . . . . 4263 1 576 . 1 1 54 54 ALA HB2 H 1 1.32 0.05 . 1 . . . . . . . . 4263 1 577 . 1 1 54 54 ALA HB3 H 1 1.32 0.05 . 1 . . . . . . . . 4263 1 578 . 1 1 54 54 ALA C C 13 179.32 0.1 . 1 . . . . . . . . 4263 1 579 . 1 1 54 54 ALA CA C 13 54.75 0.1 . 1 . . . . . . . . 4263 1 580 . 1 1 54 54 ALA CB C 13 18.70 0.1 . 1 . . . . . . . . 4263 1 581 . 1 1 54 54 ALA N N 15 123.30 0.1 . 1 . . . . . . . . 4263 1 582 . 1 1 55 55 LEU H H 1 8.52 0.05 . 1 . . . . . . . . 4263 1 583 . 1 1 55 55 LEU HA H 1 3.80 0.05 . 1 . . . . . . . . 4263 1 584 . 1 1 55 55 LEU HB2 H 1 1.51 0.05 . 2 . . . . . . . . 4263 1 585 . 1 1 55 55 LEU HB3 H 1 1.77 0.05 . 2 . . . . . . . . 4263 1 586 . 1 1 55 55 LEU HG H 1 1.53 0.05 . 1 . . . . . . . . 4263 1 587 . 1 1 55 55 LEU HD11 H 1 0.87 0.05 . 1 . . . . . . . . 4263 1 588 . 1 1 55 55 LEU HD12 H 1 0.87 0.05 . 1 . . . . . . . . 4263 1 589 . 1 1 55 55 LEU HD13 H 1 0.87 0.05 . 1 . . . . . . . . 4263 1 590 . 1 1 55 55 LEU HD21 H 1 0.84 0.05 . 1 . . . . . . . . 4263 1 591 . 1 1 55 55 LEU HD22 H 1 0.84 0.05 . 1 . . . . . . . . 4263 1 592 . 1 1 55 55 LEU HD23 H 1 0.84 0.05 . 1 . . . . . . . . 4263 1 593 . 1 1 55 55 LEU C C 13 178.72 0.1 . 1 . . . . . . . . 4263 1 594 . 1 1 55 55 LEU CA C 13 57.88 0.1 . 1 . . . . . . . . 4263 1 595 . 1 1 55 55 LEU CB C 13 41.23 0.1 . 1 . . . . . . . . 4263 1 596 . 1 1 55 55 LEU CG C 13 27.86 0.1 . 1 . . . . . . . . 4263 1 597 . 1 1 55 55 LEU CD1 C 13 25.17 0.1 . 1 . . . . . . . . 4263 1 598 . 1 1 55 55 LEU CD2 C 13 25.05 0.1 . 1 . . . . . . . . 4263 1 599 . 1 1 55 55 LEU N N 15 118.64 0.1 . 1 . . . . . . . . 4263 1 600 . 1 1 56 56 LYS H H 1 7.55 0.05 . 1 . . . . . . . . 4263 1 601 . 1 1 56 56 LYS HA H 1 3.86 0.05 . 1 . . . . . . . . 4263 1 602 . 1 1 56 56 LYS HB2 H 1 1.94 0.05 . 1 . . . . . . . . 4263 1 603 . 1 1 56 56 LYS HB3 H 1 1.94 0.05 . 1 . . . . . . . . 4263 1 604 . 1 1 56 56 LYS HG2 H 1 1.32 0.05 . 1 . . . . . . . . 4263 1 605 . 1 1 56 56 LYS HG3 H 1 1.32 0.05 . 1 . . . . . . . . 4263 1 606 . 1 1 56 56 LYS HD2 H 1 1.61 0.05 . 2 . . . . . . . . 4263 1 607 . 1 1 56 56 LYS HD3 H 1 1.69 0.05 . 2 . . . . . . . . 4263 1 608 . 1 1 56 56 LYS HE2 H 1 2.88 0.05 . 2 . . . . . . . . 4263 1 609 . 1 1 56 56 LYS HE3 H 1 2.94 0.05 . 2 . . . . . . . . 4263 1 610 . 1 1 56 56 LYS C C 13 179.06 0.1 . 1 . . . . . . . . 4263 1 611 . 1 1 56 56 LYS CA C 13 60.15 0.1 . 1 . . . . . . . . 4263 1 612 . 1 1 56 56 LYS CB C 13 32.09 0.1 . 1 . . . . . . . . 4263 1 613 . 1 1 56 56 LYS CG C 13 25.04 0.1 . 1 . . . . . . . . 4263 1 614 . 1 1 56 56 LYS CD C 13 29.55 0.1 . 1 . . . . . . . . 4263 1 615 . 1 1 56 56 LYS CE C 13 41.72 0.1 . 1 . . . . . . . . 4263 1 616 . 1 1 56 56 LYS N N 15 118.84 0.1 . 1 . . . . . . . . 4263 1 617 . 1 1 57 57 VAL H H 1 7.44 0.05 . 1 . . . . . . . . 4263 1 618 . 1 1 57 57 VAL HA H 1 3.65 0.05 . 1 . . . . . . . . 4263 1 619 . 1 1 57 57 VAL HB H 1 2.28 0.05 . 1 . . . . . . . . 4263 1 620 . 1 1 57 57 VAL HG11 H 1 0.92 0.05 . 1 . . . . . . . . 4263 1 621 . 1 1 57 57 VAL HG12 H 1 0.92 0.05 . 1 . . . . . . . . 4263 1 622 . 1 1 57 57 VAL HG13 H 1 0.92 0.05 . 1 . . . . . . . . 4263 1 623 . 1 1 57 57 VAL HG21 H 1 1.07 0.05 . 1 . . . . . . . . 4263 1 624 . 1 1 57 57 VAL HG22 H 1 1.07 0.05 . 1 . . . . . . . . 4263 1 625 . 1 1 57 57 VAL HG23 H 1 1.07 0.05 . 1 . . . . . . . . 4263 1 626 . 1 1 57 57 VAL C C 13 179.89 0.1 . 1 . . . . . . . . 4263 1 627 . 1 1 57 57 VAL CA C 13 65.87 0.1 . 1 . . . . . . . . 4263 1 628 . 1 1 57 57 VAL CB C 13 31.28 0.1 . 1 . . . . . . . . 4263 1 629 . 1 1 57 57 VAL CG1 C 13 21.14 0.1 . 1 . . . . . . . . 4263 1 630 . 1 1 57 57 VAL CG2 C 13 22.38 0.1 . 1 . . . . . . . . 4263 1 631 . 1 1 57 57 VAL N N 15 119.27 0.1 . 1 . . . . . . . . 4263 1 632 . 1 1 58 58 LEU H H 1 8.55 0.05 . 1 . . . . . . . . 4263 1 633 . 1 1 58 58 LEU HA H 1 3.84 0.05 . 1 . . . . . . . . 4263 1 634 . 1 1 58 58 LEU HB2 H 1 1.06 0.05 . 1 . . . . . . . . 4263 1 635 . 1 1 58 58 LEU HB3 H 1 1.06 0.05 . 1 . . . . . . . . 4263 1 636 . 1 1 58 58 LEU HG H 1 0.73 0.05 . 1 . . . . . . . . 4263 1 637 . 1 1 58 58 LEU HD11 H 1 0.47 0.05 . 1 . . . . . . . . 4263 1 638 . 1 1 58 58 LEU HD12 H 1 0.47 0.05 . 1 . . . . . . . . 4263 1 639 . 1 1 58 58 LEU HD13 H 1 0.47 0.05 . 1 . . . . . . . . 4263 1 640 . 1 1 58 58 LEU HD21 H 1 0.40 0.05 . 1 . . . . . . . . 4263 1 641 . 1 1 58 58 LEU HD22 H 1 0.40 0.05 . 1 . . . . . . . . 4263 1 642 . 1 1 58 58 LEU HD23 H 1 0.40 0.05 . 1 . . . . . . . . 4263 1 643 . 1 1 58 58 LEU C C 13 179.99 0.1 . 1 . . . . . . . . 4263 1 644 . 1 1 58 58 LEU CA C 13 57.55 0.1 . 1 . . . . . . . . 4263 1 645 . 1 1 58 58 LEU CB C 13 42.05 0.1 . 1 . . . . . . . . 4263 1 646 . 1 1 58 58 LEU CG C 13 25.09 0.1 . 1 . . . . . . . . 4263 1 647 . 1 1 58 58 LEU CD1 C 13 25.55 0.1 . 1 . . . . . . . . 4263 1 648 . 1 1 58 58 LEU CD2 C 13 22.74 0.1 . 1 . . . . . . . . 4263 1 649 . 1 1 58 58 LEU N N 15 122.03 0.1 . 1 . . . . . . . . 4263 1 650 . 1 1 59 59 ARG H H 1 8.45 0.05 . 1 . . . . . . . . 4263 1 651 . 1 1 59 59 ARG HA H 1 4.00 0.05 . 1 . . . . . . . . 4263 1 652 . 1 1 59 59 ARG HB2 H 1 1.87 0.05 . 1 . . . . . . . . 4263 1 653 . 1 1 59 59 ARG HB3 H 1 1.87 0.05 . 1 . . . . . . . . 4263 1 654 . 1 1 59 59 ARG HG2 H 1 1.44 0.05 . 1 . . . . . . . . 4263 1 655 . 1 1 59 59 ARG HG3 H 1 1.44 0.05 . 1 . . . . . . . . 4263 1 656 . 1 1 59 59 ARG HD2 H 1 3.08 0.05 . 2 . . . . . . . . 4263 1 657 . 1 1 59 59 ARG HD3 H 1 3.01 0.05 . 2 . . . . . . . . 4263 1 658 . 1 1 59 59 ARG C C 13 177.19 0.1 . 1 . . . . . . . . 4263 1 659 . 1 1 59 59 ARG CA C 13 58.85 0.1 . 1 . . . . . . . . 4263 1 660 . 1 1 59 59 ARG CB C 13 30.42 0.1 . 1 . . . . . . . . 4263 1 661 . 1 1 59 59 ARG CG C 13 29.29 0.1 . 1 . . . . . . . . 4263 1 662 . 1 1 59 59 ARG CD C 13 43.56 0.1 . 1 . . . . . . . . 4263 1 663 . 1 1 59 59 ARG N N 15 118.21 0.1 . 1 . . . . . . . . 4263 1 664 . 1 1 60 60 GLN H H 1 7.52 0.05 . 1 . . . . . . . . 4263 1 665 . 1 1 60 60 GLN HA H 1 4.36 0.05 . 1 . . . . . . . . 4263 1 666 . 1 1 60 60 GLN HB2 H 1 2.12 0.05 . 2 . . . . . . . . 4263 1 667 . 1 1 60 60 GLN HB3 H 1 2.23 0.05 . 2 . . . . . . . . 4263 1 668 . 1 1 60 60 GLN HG2 H 1 2.42 0.05 . 2 . . . . . . . . 4263 1 669 . 1 1 60 60 GLN HG3 H 1 2.57 0.05 . 2 . . . . . . . . 4263 1 670 . 1 1 60 60 GLN HE21 H 1 7.34 0.05 . 1 . . . . . . . . 4263 1 671 . 1 1 60 60 GLN HE22 H 1 6.83 0.05 . 1 . . . . . . . . 4263 1 672 . 1 1 60 60 GLN C C 13 175.88 0.1 . 1 . . . . . . . . 4263 1 673 . 1 1 60 60 GLN CA C 13 55.47 0.1 . 1 . . . . . . . . 4263 1 674 . 1 1 60 60 GLN CB C 13 28.68 0.1 . 1 . . . . . . . . 4263 1 675 . 1 1 60 60 GLN CG C 13 33.92 0.1 . 1 . . . . . . . . 4263 1 676 . 1 1 60 60 GLN N N 15 116.73 0.1 . 1 . . . . . . . . 4263 1 677 . 1 1 60 60 GLN NE2 N 15 111.56 0.1 . 1 . . . . . . . . 4263 1 678 . 1 1 61 61 SER H H 1 7.31 0.05 . 1 . . . . . . . . 4263 1 679 . 1 1 61 61 SER HA H 1 4.30 0.05 . 1 . . . . . . . . 4263 1 680 . 1 1 61 61 SER HB2 H 1 3.96 0.05 . 2 . . . . . . . . 4263 1 681 . 1 1 61 61 SER HB3 H 1 4.05 0.05 . 2 . . . . . . . . 4263 1 682 . 1 1 61 61 SER C C 13 174.58 0.1 . 1 . . . . . . . . 4263 1 683 . 1 1 61 61 SER CA C 13 58.77 0.1 . 1 . . . . . . . . 4263 1 684 . 1 1 61 61 SER CB C 13 63.89 0.1 . 1 . . . . . . . . 4263 1 685 . 1 1 61 61 SER N N 15 114.61 0.1 . 1 . . . . . . . . 4263 1 686 . 1 1 62 62 ARG H H 1 8.45 0.05 . 1 . . . . . . . . 4263 1 687 . 1 1 62 62 ARG HA H 1 4.27 0.05 . 1 . . . . . . . . 4263 1 688 . 1 1 62 62 ARG HB2 H 1 2.01 0.05 . 2 . . . . . . . . 4263 1 689 . 1 1 62 62 ARG HB3 H 1 1.81 0.05 . 2 . . . . . . . . 4263 1 690 . 1 1 62 62 ARG HG2 H 1 1.70 0.05 . 1 . . . . . . . . 4263 1 691 . 1 1 62 62 ARG HG3 H 1 1.70 0.05 . 1 . . . . . . . . 4263 1 692 . 1 1 62 62 ARG HD2 H 1 3.22 0.05 . 1 . . . . . . . . 4263 1 693 . 1 1 62 62 ARG HD3 H 1 3.22 0.05 . 1 . . . . . . . . 4263 1 694 . 1 1 62 62 ARG C C 13 176.07 0.1 . 1 . . . . . . . . 4263 1 695 . 1 1 62 62 ARG CA C 13 56.03 0.1 . 1 . . . . . . . . 4263 1 696 . 1 1 62 62 ARG CB C 13 29.08 0.1 . 1 . . . . . . . . 4263 1 697 . 1 1 62 62 ARG CG C 13 27.16 0.1 . 1 . . . . . . . . 4263 1 698 . 1 1 62 62 ARG CD C 13 42.98 0.1 . 1 . . . . . . . . 4263 1 699 . 1 1 62 62 ARG N N 15 121.82 0.1 . 1 . . . . . . . . 4263 1 700 . 1 1 63 63 ARG H H 1 7.91 0.05 . 1 . . . . . . . . 4263 1 701 . 1 1 63 63 ARG HA H 1 4.23 0.05 . 1 . . . . . . . . 4263 1 702 . 1 1 63 63 ARG HB2 H 1 1.69 0.05 . 1 . . . . . . . . 4263 1 703 . 1 1 63 63 ARG HB3 H 1 1.69 0.05 . 1 . . . . . . . . 4263 1 704 . 1 1 63 63 ARG HG2 H 1 1.56 0.05 . 1 . . . . . . . . 4263 1 705 . 1 1 63 63 ARG HG3 H 1 1.56 0.05 . 1 . . . . . . . . 4263 1 706 . 1 1 63 63 ARG HD2 H 1 3.16 0.05 . 1 . . . . . . . . 4263 1 707 . 1 1 63 63 ARG HD3 H 1 3.16 0.05 . 1 . . . . . . . . 4263 1 708 . 1 1 63 63 ARG HE H 1 7.17 0.05 . 1 . . . . . . . . 4263 1 709 . 1 1 63 63 ARG C C 13 176.01 0.1 . 1 . . . . . . . . 4263 1 710 . 1 1 63 63 ARG CA C 13 55.49 0.1 . 1 . . . . . . . . 4263 1 711 . 1 1 63 63 ARG CB C 13 30.62 0.1 . 1 . . . . . . . . 4263 1 712 . 1 1 63 63 ARG CG C 13 26.94 0.1 . 1 . . . . . . . . 4263 1 713 . 1 1 63 63 ARG CD C 13 43.19 0.1 . 1 . . . . . . . . 4263 1 714 . 1 1 63 63 ARG N N 15 121.39 0.1 . 1 . . . . . . . . 4263 1 715 . 1 1 63 63 ARG NE N 15 112.67 0.1 . 1 . . . . . . . . 4263 1 716 . 1 1 64 64 ARG H H 1 8.65 0.05 . 1 . . . . . . . . 4263 1 717 . 1 1 64 64 ARG HA H 1 4.48 0.05 . 1 . . . . . . . . 4263 1 718 . 1 1 64 64 ARG HB2 H 1 1.81 0.05 . 1 . . . . . . . . 4263 1 719 . 1 1 64 64 ARG HB3 H 1 1.81 0.05 . 1 . . . . . . . . 4263 1 720 . 1 1 64 64 ARG HG2 H 1 1.76 0.05 . 1 . . . . . . . . 4263 1 721 . 1 1 64 64 ARG HG3 H 1 1.76 0.05 . 1 . . . . . . . . 4263 1 722 . 1 1 64 64 ARG HD2 H 1 2.98 0.05 . 1 . . . . . . . . 4263 1 723 . 1 1 64 64 ARG HD3 H 1 2.98 0.05 . 1 . . . . . . . . 4263 1 724 . 1 1 64 64 ARG C C 13 174.19 0.1 . 1 . . . . . . . . 4263 1 725 . 1 1 64 64 ARG CA C 13 54.10 0.1 . 1 . . . . . . . . 4263 1 726 . 1 1 64 64 ARG CB C 13 29.87 0.1 . 1 . . . . . . . . 4263 1 727 . 1 1 64 64 ARG CG C 13 30.14 0.1 . 1 . . . . . . . . 4263 1 728 . 1 1 64 64 ARG CD C 13 42.85 0.1 . 1 . . . . . . . . 4263 1 729 . 1 1 64 64 ARG N N 15 127.33 0.1 . 1 . . . . . . . . 4263 1 730 . 1 1 65 65 PRO HA H 1 4.49 0.05 . 1 . . . . . . . . 4263 1 731 . 1 1 65 65 PRO HB2 H 1 1.59 0.05 . 2 . . . . . . . . 4263 1 732 . 1 1 65 65 PRO HB3 H 1 1.99 0.05 . 2 . . . . . . . . 4263 1 733 . 1 1 65 65 PRO HG2 H 1 1.96 0.05 . 1 . . . . . . . . 4263 1 734 . 1 1 65 65 PRO HG3 H 1 1.96 0.05 . 1 . . . . . . . . 4263 1 735 . 1 1 65 65 PRO C C 13 175.86 0.1 . 1 . . . . . . . . 4263 1 736 . 1 1 65 65 PRO CA C 13 62.31 0.1 . 1 . . . . . . . . 4263 1 737 . 1 1 65 65 PRO CB C 13 32.76 0.1 . 1 . . . . . . . . 4263 1 738 . 1 1 65 65 PRO CG C 13 26.83 0.1 . 1 . . . . . . . . 4263 1 739 . 1 1 65 65 PRO CD C 13 50.80 0.1 . 1 . . . . . . . . 4263 1 740 . 1 1 66 66 VAL H H 1 8.03 0.05 . 1 . . . . . . . . 4263 1 741 . 1 1 66 66 VAL HA H 1 4.31 0.05 . 1 . . . . . . . . 4263 1 742 . 1 1 66 66 VAL HB H 1 2.17 0.05 . 1 . . . . . . . . 4263 1 743 . 1 1 66 66 VAL HG11 H 1 1.03 0.05 . 1 . . . . . . . . 4263 1 744 . 1 1 66 66 VAL HG12 H 1 1.03 0.05 . 1 . . . . . . . . 4263 1 745 . 1 1 66 66 VAL HG13 H 1 1.03 0.05 . 1 . . . . . . . . 4263 1 746 . 1 1 66 66 VAL HG21 H 1 1.14 0.05 . 1 . . . . . . . . 4263 1 747 . 1 1 66 66 VAL HG22 H 1 1.14 0.05 . 1 . . . . . . . . 4263 1 748 . 1 1 66 66 VAL HG23 H 1 1.14 0.05 . 1 . . . . . . . . 4263 1 749 . 1 1 66 66 VAL C C 13 175.49 0.1 . 1 . . . . . . . . 4263 1 750 . 1 1 66 66 VAL CA C 13 61.49 0.1 . 1 . . . . . . . . 4263 1 751 . 1 1 66 66 VAL CB C 13 34.32 0.1 . 1 . . . . . . . . 4263 1 752 . 1 1 66 66 VAL CG1 C 13 20.92 0.1 . 1 . . . . . . . . 4263 1 753 . 1 1 66 66 VAL CG2 C 13 21.30 0.1 . 1 . . . . . . . . 4263 1 754 . 1 1 66 66 VAL N N 15 121.82 0.1 . 1 . . . . . . . . 4263 1 755 . 1 1 67 67 ARG H H 1 8.99 0.05 . 1 . . . . . . . . 4263 1 756 . 1 1 67 67 ARG HA H 1 4.96 0.05 . 1 . . . . . . . . 4263 1 757 . 1 1 67 67 ARG HB2 H 1 2.04 0.05 . 2 . . . . . . . . 4263 1 758 . 1 1 67 67 ARG HB3 H 1 1.81 0.05 . 2 . . . . . . . . 4263 1 759 . 1 1 67 67 ARG HG2 H 1 1.70 0.05 . 1 . . . . . . . . 4263 1 760 . 1 1 67 67 ARG HG3 H 1 1.70 0.05 . 1 . . . . . . . . 4263 1 761 . 1 1 67 67 ARG HD2 H 1 3.27 0.05 . 1 . . . . . . . . 4263 1 762 . 1 1 67 67 ARG HD3 H 1 3.27 0.05 . 1 . . . . . . . . 4263 1 763 . 1 1 67 67 ARG C C 13 175.94 0.1 . 1 . . . . . . . . 4263 1 764 . 1 1 67 67 ARG CA C 13 55.23 0.1 . 1 . . . . . . . . 4263 1 765 . 1 1 67 67 ARG CB C 13 30.57 0.1 . 1 . . . . . . . . 4263 1 766 . 1 1 67 67 ARG CG C 13 28.03 0.1 . 1 . . . . . . . . 4263 1 767 . 1 1 67 67 ARG CD C 13 43.02 0.1 . 1 . . . . . . . . 4263 1 768 . 1 1 67 67 ARG N N 15 129.67 0.1 . 1 . . . . . . . . 4263 1 769 . 1 1 68 68 GLY H H 1 9.11 0.05 . 1 . . . . . . . . 4263 1 770 . 1 1 68 68 GLY HA2 H 1 4.66 0.05 . 2 . . . . . . . . 4263 1 771 . 1 1 68 68 GLY HA3 H 1 4.23 0.05 . 2 . . . . . . . . 4263 1 772 . 1 1 68 68 GLY C C 13 171.78 0.1 . 1 . . . . . . . . 4263 1 773 . 1 1 68 68 GLY CA C 13 45.99 0.1 . 1 . . . . . . . . 4263 1 774 . 1 1 68 68 GLY N N 15 113.12 0.1 . 1 . . . . . . . . 4263 1 775 . 1 1 69 69 LEU H H 1 8.56 0.05 . 1 . . . . . . . . 4263 1 776 . 1 1 69 69 LEU HA H 1 5.20 0.05 . 1 . . . . . . . . 4263 1 777 . 1 1 69 69 LEU HB2 H 1 1.54 0.05 . 1 . . . . . . . . 4263 1 778 . 1 1 69 69 LEU HB3 H 1 1.54 0.05 . 1 . . . . . . . . 4263 1 779 . 1 1 69 69 LEU HD11 H 1 0.83 0.05 . 1 . . . . . . . . 4263 1 780 . 1 1 69 69 LEU HD12 H 1 0.83 0.05 . 1 . . . . . . . . 4263 1 781 . 1 1 69 69 LEU HD13 H 1 0.83 0.05 . 1 . . . . . . . . 4263 1 782 . 1 1 69 69 LEU HD21 H 1 0.73 0.05 . 1 . . . . . . . . 4263 1 783 . 1 1 69 69 LEU HD22 H 1 0.73 0.05 . 1 . . . . . . . . 4263 1 784 . 1 1 69 69 LEU HD23 H 1 0.73 0.05 . 1 . . . . . . . . 4263 1 785 . 1 1 69 69 LEU C C 13 174.72 0.1 . 1 . . . . . . . . 4263 1 786 . 1 1 69 69 LEU CA C 13 53.01 0.1 . 1 . . . . . . . . 4263 1 787 . 1 1 69 69 LEU CB C 13 45.46 0.1 . 1 . . . . . . . . 4263 1 788 . 1 1 69 69 LEU CD1 C 13 25.21 0.1 . 1 . . . . . . . . 4263 1 789 . 1 1 69 69 LEU CD2 C 13 23.68 0.1 . 1 . . . . . . . . 4263 1 790 . 1 1 69 69 LEU N N 15 123.09 0.1 . 1 . . . . . . . . 4263 1 791 . 1 1 70 70 LEU H H 1 9.06 0.05 . 1 . . . . . . . . 4263 1 792 . 1 1 70 70 LEU HA H 1 5.09 0.05 . 1 . . . . . . . . 4263 1 793 . 1 1 70 70 LEU HB2 H 1 1.88 0.05 . 1 . . . . . . . . 4263 1 794 . 1 1 70 70 LEU HB3 H 1 1.88 0.05 . 1 . . . . . . . . 4263 1 795 . 1 1 70 70 LEU HD11 H 1 0.62 0.05 . 1 . . . . . . . . 4263 1 796 . 1 1 70 70 LEU HD12 H 1 0.62 0.05 . 1 . . . . . . . . 4263 1 797 . 1 1 70 70 LEU HD13 H 1 0.62 0.05 . 1 . . . . . . . . 4263 1 798 . 1 1 70 70 LEU HD21 H 1 0.11 0.05 . 1 . . . . . . . . 4263 1 799 . 1 1 70 70 LEU HD22 H 1 0.11 0.05 . 1 . . . . . . . . 4263 1 800 . 1 1 70 70 LEU HD23 H 1 0.11 0.05 . 1 . . . . . . . . 4263 1 801 . 1 1 70 70 LEU C C 13 174.33 0.1 . 1 . . . . . . . . 4263 1 802 . 1 1 70 70 LEU CA C 13 52.91 0.1 . 1 . . . . . . . . 4263 1 803 . 1 1 70 70 LEU CB C 13 44.32 0.1 . 1 . . . . . . . . 4263 1 804 . 1 1 70 70 LEU CD1 C 13 22.90 0.1 . 1 . . . . . . . . 4263 1 805 . 1 1 70 70 LEU CD2 C 13 25.05 0.1 . 1 . . . . . . . . 4263 1 806 . 1 1 70 70 LEU N N 15 124.15 0.1 . 1 . . . . . . . . 4263 1 807 . 1 1 71 71 HIS H H 1 9.81 0.05 . 1 . . . . . . . . 4263 1 808 . 1 1 71 71 HIS HA H 1 4.97 0.05 . 1 . . . . . . . . 4263 1 809 . 1 1 71 71 HIS HB2 H 1 2.99 0.05 . 1 . . . . . . . . 4263 1 810 . 1 1 71 71 HIS HB3 H 1 2.99 0.05 . 1 . . . . . . . . 4263 1 811 . 1 1 71 71 HIS HD2 H 1 6.68 0.05 . 1 . . . . . . . . 4263 1 812 . 1 1 71 71 HIS HE1 H 1 6.68 0.05 . 1 . . . . . . . . 4263 1 813 . 1 1 71 71 HIS C C 13 175.16 0.1 . 1 . . . . . . . . 4263 1 814 . 1 1 71 71 HIS CA C 13 54.97 0.1 . 1 . . . . . . . . 4263 1 815 . 1 1 71 71 HIS CB C 13 31.69 0.1 . 1 . . . . . . . . 4263 1 816 . 1 1 71 71 HIS N N 15 127.75 0.1 . 1 . . . . . . . . 4263 1 817 . 1 1 72 72 VAL H H 1 8.33 0.05 . 1 . . . . . . . . 4263 1 818 . 1 1 72 72 VAL HA H 1 4.32 0.05 . 1 . . . . . . . . 4263 1 819 . 1 1 72 72 VAL HB H 1 1.80 0.05 . 1 . . . . . . . . 4263 1 820 . 1 1 72 72 VAL HG11 H 1 0.57 0.05 . 1 . . . . . . . . 4263 1 821 . 1 1 72 72 VAL HG12 H 1 0.57 0.05 . 1 . . . . . . . . 4263 1 822 . 1 1 72 72 VAL HG13 H 1 0.57 0.05 . 1 . . . . . . . . 4263 1 823 . 1 1 72 72 VAL HG21 H 1 0.68 0.05 . 1 . . . . . . . . 4263 1 824 . 1 1 72 72 VAL HG22 H 1 0.68 0.05 . 1 . . . . . . . . 4263 1 825 . 1 1 72 72 VAL HG23 H 1 0.68 0.05 . 1 . . . . . . . . 4263 1 826 . 1 1 72 72 VAL C C 13 173.45 0.1 . 1 . . . . . . . . 4263 1 827 . 1 1 72 72 VAL CA C 13 61.53 0.1 . 1 . . . . . . . . 4263 1 828 . 1 1 72 72 VAL CB C 13 33.68 0.1 . 1 . . . . . . . . 4263 1 829 . 1 1 72 72 VAL CG1 C 13 22.44 0.1 . 1 . . . . . . . . 4263 1 830 . 1 1 72 72 VAL CG2 C 13 20.00 0.1 . 1 . . . . . . . . 4263 1 831 . 1 1 72 72 VAL N N 15 123.94 0.1 . 1 . . . . . . . . 4263 1 832 . 1 1 73 73 SER H H 1 8.33 0.05 . 1 . . . . . . . . 4263 1 833 . 1 1 73 73 SER HA H 1 5.17 0.05 . 1 . . . . . . . . 4263 1 834 . 1 1 73 73 SER HB2 H 1 3.99 0.05 . 1 . . . . . . . . 4263 1 835 . 1 1 73 73 SER HB3 H 1 3.99 0.05 . 1 . . . . . . . . 4263 1 836 . 1 1 73 73 SER C C 13 172.84 0.1 . 1 . . . . . . . . 4263 1 837 . 1 1 73 73 SER CA C 13 56.49 0.1 . 1 . . . . . . . . 4263 1 838 . 1 1 73 73 SER CB C 13 67.15 0.1 . 1 . . . . . . . . 4263 1 839 . 1 1 73 73 SER N N 15 121.82 0.1 . 1 . . . . . . . . 4263 1 840 . 1 1 74 74 GLY H H 1 9.13 0.05 . 1 . . . . . . . . 4263 1 841 . 1 1 74 74 GLY HA2 H 1 3.99 0.05 . 2 . . . . . . . . 4263 1 842 . 1 1 74 74 GLY HA3 H 1 3.62 0.05 . 2 . . . . . . . . 4263 1 843 . 1 1 74 74 GLY C C 13 172.36 0.1 . 1 . . . . . . . . 4263 1 844 . 1 1 74 74 GLY CA C 13 45.84 0.1 . 1 . . . . . . . . 4263 1 845 . 1 1 74 74 GLY N N 15 104.85 0.1 . 1 . . . . . . . . 4263 1 846 . 1 1 75 75 ASP H H 1 7.91 0.05 . 1 . . . . . . . . 4263 1 847 . 1 1 75 75 ASP HA H 1 4.83 0.05 . 1 . . . . . . . . 4263 1 848 . 1 1 75 75 ASP HB2 H 1 2.71 0.05 . 2 . . . . . . . . 4263 1 849 . 1 1 75 75 ASP HB3 H 1 2.48 0.05 . 2 . . . . . . . . 4263 1 850 . 1 1 75 75 ASP C C 13 177.03 0.1 . 1 . . . . . . . . 4263 1 851 . 1 1 75 75 ASP CA C 13 53.99 0.1 . 1 . . . . . . . . 4263 1 852 . 1 1 75 75 ASP CB C 13 42.15 0.1 . 1 . . . . . . . . 4263 1 853 . 1 1 75 75 ASP N N 15 114.61 0.1 . 1 . . . . . . . . 4263 1 854 . 1 1 76 76 GLY H H 1 7.54 0.05 . 1 . . . . . . . . 4263 1 855 . 1 1 76 76 GLY HA2 H 1 4.47 0.05 . 2 . . . . . . . . 4263 1 856 . 1 1 76 76 GLY HA3 H 1 4.00 0.05 . 2 . . . . . . . . 4263 1 857 . 1 1 76 76 GLY C C 13 170.20 0.1 . 1 . . . . . . . . 4263 1 858 . 1 1 76 76 GLY CA C 13 46.06 0.1 . 1 . . . . . . . . 4263 1 859 . 1 1 76 76 GLY N N 15 108.45 0.1 . 1 . . . . . . . . 4263 1 860 . 1 1 77 77 LEU H H 1 8.55 0.05 . 1 . . . . . . . . 4263 1 861 . 1 1 77 77 LEU HA H 1 5.31 0.05 . 1 . . . . . . . . 4263 1 862 . 1 1 77 77 LEU HB2 H 1 1.54 0.05 . 1 . . . . . . . . 4263 1 863 . 1 1 77 77 LEU HB3 H 1 1.54 0.05 . 1 . . . . . . . . 4263 1 864 . 1 1 77 77 LEU HG H 1 1.54 0.05 . 1 . . . . . . . . 4263 1 865 . 1 1 77 77 LEU HD11 H 1 0.27 0.05 . 1 . . . . . . . . 4263 1 866 . 1 1 77 77 LEU HD12 H 1 0.27 0.05 . 1 . . . . . . . . 4263 1 867 . 1 1 77 77 LEU HD13 H 1 0.27 0.05 . 1 . . . . . . . . 4263 1 868 . 1 1 77 77 LEU HD21 H 1 0.78 0.05 . 1 . . . . . . . . 4263 1 869 . 1 1 77 77 LEU HD22 H 1 0.78 0.05 . 1 . . . . . . . . 4263 1 870 . 1 1 77 77 LEU HD23 H 1 0.78 0.05 . 1 . . . . . . . . 4263 1 871 . 1 1 77 77 LEU C C 13 175.16 0.1 . 1 . . . . . . . . 4263 1 872 . 1 1 77 77 LEU CA C 13 52.36 0.1 . 1 . . . . . . . . 4263 1 873 . 1 1 77 77 LEU CB C 13 43.01 0.1 . 1 . . . . . . . . 4263 1 874 . 1 1 77 77 LEU CD1 C 13 25.17 0.1 . 1 . . . . . . . . 4263 1 875 . 1 1 77 77 LEU CD2 C 13 21.70 0.1 . 1 . . . . . . . . 4263 1 876 . 1 1 77 77 LEU N N 15 118.21 0.1 . 1 . . . . . . . . 4263 1 877 . 1 1 78 78 ARG H H 1 8.57 0.05 . 1 . . . . . . . . 4263 1 878 . 1 1 78 78 ARG HA H 1 5.31 0.05 . 1 . . . . . . . . 4263 1 879 . 1 1 78 78 ARG HB2 H 1 1.67 0.05 . 1 . . . . . . . . 4263 1 880 . 1 1 78 78 ARG HB3 H 1 1.67 0.05 . 1 . . . . . . . . 4263 1 881 . 1 1 78 78 ARG HG2 H 1 1.62 0.05 . 1 . . . . . . . . 4263 1 882 . 1 1 78 78 ARG HG3 H 1 1.62 0.05 . 1 . . . . . . . . 4263 1 883 . 1 1 78 78 ARG HD2 H 1 2.97 0.05 . 1 . . . . . . . . 4263 1 884 . 1 1 78 78 ARG HD3 H 1 2.97 0.05 . 1 . . . . . . . . 4263 1 885 . 1 1 78 78 ARG HE H 1 7.02 0.05 . 1 . . . . . . . . 4263 1 886 . 1 1 78 78 ARG C C 13 175.07 0.1 . 1 . . . . . . . . 4263 1 887 . 1 1 78 78 ARG CA C 13 53.95 0.1 . 1 . . . . . . . . 4263 1 888 . 1 1 78 78 ARG CB C 13 34.22 0.1 . 1 . . . . . . . . 4263 1 889 . 1 1 78 78 ARG CG C 13 28.53 0.1 . 1 . . . . . . . . 4263 1 890 . 1 1 78 78 ARG CD C 13 43.23 0.1 . 1 . . . . . . . . 4263 1 891 . 1 1 78 78 ARG N N 15 121.82 0.1 . 1 . . . . . . . . 4263 1 892 . 1 1 78 78 ARG NE N 15 112.24 0.1 . 1 . . . . . . . . 4263 1 893 . 1 1 79 79 VAL H H 1 8.87 0.05 . 1 . . . . . . . . 4263 1 894 . 1 1 79 79 VAL HA H 1 5.35 0.05 . 1 . . . . . . . . 4263 1 895 . 1 1 79 79 VAL HB H 1 1.69 0.05 . 1 . . . . . . . . 4263 1 896 . 1 1 79 79 VAL HG11 H 1 0.62 0.05 . 1 . . . . . . . . 4263 1 897 . 1 1 79 79 VAL HG12 H 1 0.62 0.05 . 1 . . . . . . . . 4263 1 898 . 1 1 79 79 VAL HG13 H 1 0.62 0.05 . 1 . . . . . . . . 4263 1 899 . 1 1 79 79 VAL HG21 H 1 0.87 0.05 . 1 . . . . . . . . 4263 1 900 . 1 1 79 79 VAL HG22 H 1 0.87 0.05 . 1 . . . . . . . . 4263 1 901 . 1 1 79 79 VAL HG23 H 1 0.87 0.05 . 1 . . . . . . . . 4263 1 902 . 1 1 79 79 VAL C C 13 174.48 0.1 . 1 . . . . . . . . 4263 1 903 . 1 1 79 79 VAL CA C 13 60.21 0.1 . 1 . . . . . . . . 4263 1 904 . 1 1 79 79 VAL CB C 13 32.92 0.1 . 1 . . . . . . . . 4263 1 905 . 1 1 79 79 VAL CG1 C 13 20.25 0.1 . 1 . . . . . . . . 4263 1 906 . 1 1 79 79 VAL CG2 C 13 21.88 0.1 . 1 . . . . . . . . 4263 1 907 . 1 1 79 79 VAL N N 15 122.45 0.1 . 1 . . . . . . . . 4263 1 908 . 1 1 80 80 VAL H H 1 8.73 0.05 . 1 . . . . . . . . 4263 1 909 . 1 1 80 80 VAL HA H 1 4.86 0.05 . 1 . . . . . . . . 4263 1 910 . 1 1 80 80 VAL HB H 1 1.91 0.05 . 1 . . . . . . . . 4263 1 911 . 1 1 80 80 VAL HG11 H 1 0.81 0.05 . 1 . . . . . . . . 4263 1 912 . 1 1 80 80 VAL HG12 H 1 0.81 0.05 . 1 . . . . . . . . 4263 1 913 . 1 1 80 80 VAL HG13 H 1 0.81 0.05 . 1 . . . . . . . . 4263 1 914 . 1 1 80 80 VAL HG21 H 1 0.91 0.05 . 1 . . . . . . . . 4263 1 915 . 1 1 80 80 VAL HG22 H 1 0.91 0.05 . 1 . . . . . . . . 4263 1 916 . 1 1 80 80 VAL HG23 H 1 0.91 0.05 . 1 . . . . . . . . 4263 1 917 . 1 1 80 80 VAL C C 13 175.99 0.1 . 1 . . . . . . . . 4263 1 918 . 1 1 80 80 VAL CA C 13 59.82 0.1 . 1 . . . . . . . . 4263 1 919 . 1 1 80 80 VAL CB C 13 34.95 0.1 . 1 . . . . . . . . 4263 1 920 . 1 1 80 80 VAL CG1 C 13 20.30 0.1 . 1 . . . . . . . . 4263 1 921 . 1 1 80 80 VAL CG2 C 13 21.04 0.1 . 1 . . . . . . . . 4263 1 922 . 1 1 80 80 VAL N N 15 128.18 0.1 . 1 . . . . . . . . 4263 1 923 . 1 1 81 81 ASP H H 1 8.90 0.05 . 1 . . . . . . . . 4263 1 924 . 1 1 81 81 ASP HA H 1 4.48 0.05 . 1 . . . . . . . . 4263 1 925 . 1 1 81 81 ASP HB2 H 1 2.62 0.05 . 2 . . . . . . . . 4263 1 926 . 1 1 81 81 ASP HB3 H 1 2.97 0.05 . 2 . . . . . . . . 4263 1 927 . 1 1 81 81 ASP C C 13 176.81 0.1 . 1 . . . . . . . . 4263 1 928 . 1 1 81 81 ASP CA C 13 54.26 0.1 . 1 . . . . . . . . 4263 1 929 . 1 1 81 81 ASP CB C 13 42.95 0.1 . 1 . . . . . . . . 4263 1 930 . 1 1 81 81 ASP N N 15 129.03 0.1 . 1 . . . . . . . . 4263 1 931 . 1 1 82 82 ASP H H 1 9.12 0.05 . 1 . . . . . . . . 4263 1 932 . 1 1 82 82 ASP HA H 1 4.49 0.05 . 1 . . . . . . . . 4263 1 933 . 1 1 82 82 ASP HB2 H 1 2.59 0.05 . 1 . . . . . . . . 4263 1 934 . 1 1 82 82 ASP HB3 H 1 2.59 0.05 . 1 . . . . . . . . 4263 1 935 . 1 1 82 82 ASP C C 13 177.42 0.1 . 1 . . . . . . . . 4263 1 936 . 1 1 82 82 ASP CA C 13 56.98 0.1 . 1 . . . . . . . . 4263 1 937 . 1 1 82 82 ASP CB C 13 41.84 0.1 . 1 . . . . . . . . 4263 1 938 . 1 1 82 82 ASP N N 15 127.54 0.1 . 1 . . . . . . . . 4263 1 939 . 1 1 83 83 GLU H H 1 8.81 0.05 . 1 . . . . . . . . 4263 1 940 . 1 1 83 83 GLU HA H 1 4.24 0.05 . 1 . . . . . . . . 4263 1 941 . 1 1 83 83 GLU HB2 H 1 2.24 0.05 . 1 . . . . . . . . 4263 1 942 . 1 1 83 83 GLU HB3 H 1 2.24 0.05 . 1 . . . . . . . . 4263 1 943 . 1 1 83 83 GLU HG2 H 1 2.42 0.05 . 1 . . . . . . . . 4263 1 944 . 1 1 83 83 GLU HG3 H 1 2.42 0.05 . 1 . . . . . . . . 4263 1 945 . 1 1 83 83 GLU C C 13 178.13 0.1 . 1 . . . . . . . . 4263 1 946 . 1 1 83 83 GLU CA C 13 58.66 0.1 . 1 . . . . . . . . 4263 1 947 . 1 1 83 83 GLU CB C 13 29.98 0.1 . 1 . . . . . . . . 4263 1 948 . 1 1 83 83 GLU CG C 13 36.17 0.1 . 1 . . . . . . . . 4263 1 949 . 1 1 83 83 GLU N N 15 118.42 0.1 . 1 . . . . . . . . 4263 1 950 . 1 1 84 84 THR H H 1 8.09 0.05 . 1 . . . . . . . . 4263 1 951 . 1 1 84 84 THR HA H 1 4.37 0.05 . 1 . . . . . . . . 4263 1 952 . 1 1 84 84 THR HB H 1 4.37 0.05 . 1 . . . . . . . . 4263 1 953 . 1 1 84 84 THR HG21 H 1 1.26 0.05 . 1 . . . . . . . . 4263 1 954 . 1 1 84 84 THR HG22 H 1 1.26 0.05 . 1 . . . . . . . . 4263 1 955 . 1 1 84 84 THR HG23 H 1 1.26 0.05 . 1 . . . . . . . . 4263 1 956 . 1 1 84 84 THR C C 13 175.95 0.1 . 1 . . . . . . . . 4263 1 957 . 1 1 84 84 THR CA C 13 61.49 0.1 . 1 . . . . . . . . 4263 1 958 . 1 1 84 84 THR CB C 13 70.76 0.1 . 1 . . . . . . . . 4263 1 959 . 1 1 84 84 THR CG2 C 13 21.19 0.1 . 1 . . . . . . . . 4263 1 960 . 1 1 84 84 THR N N 15 107.39 0.1 . 1 . . . . . . . . 4263 1 961 . 1 1 85 85 LYS H H 1 8.07 0.05 . 1 . . . . . . . . 4263 1 962 . 1 1 85 85 LYS HA H 1 4.10 0.05 . 1 . . . . . . . . 4263 1 963 . 1 1 85 85 LYS HB2 H 1 2.21 0.05 . 2 . . . . . . . . 4263 1 964 . 1 1 85 85 LYS HB3 H 1 1.97 0.05 . 2 . . . . . . . . 4263 1 965 . 1 1 85 85 LYS HG2 H 1 1.43 0.05 . 2 . . . . . . . . 4263 1 966 . 1 1 85 85 LYS HG3 H 1 1.32 0.05 . 2 . . . . . . . . 4263 1 967 . 1 1 85 85 LYS HD2 H 1 1.72 0.05 . 2 . . . . . . . . 4263 1 968 . 1 1 85 85 LYS HD3 H 1 1.58 0.05 . 2 . . . . . . . . 4263 1 969 . 1 1 85 85 LYS HE2 H 1 3.00 0.05 . 1 . . . . . . . . 4263 1 970 . 1 1 85 85 LYS HE3 H 1 3.00 0.05 . 1 . . . . . . . . 4263 1 971 . 1 1 85 85 LYS C C 13 175.69 0.1 . 1 . . . . . . . . 4263 1 972 . 1 1 85 85 LYS CA C 13 56.78 0.1 . 1 . . . . . . . . 4263 1 973 . 1 1 85 85 LYS CB C 13 28.57 0.1 . 1 . . . . . . . . 4263 1 974 . 1 1 85 85 LYS CG C 13 24.55 0.1 . 1 . . . . . . . . 4263 1 975 . 1 1 85 85 LYS CD C 13 28.57 0.1 . 1 . . . . . . . . 4263 1 976 . 1 1 85 85 LYS CE C 13 42.42 0.1 . 1 . . . . . . . . 4263 1 977 . 1 1 85 85 LYS N N 15 116.73 0.1 . 1 . . . . . . . . 4263 1 978 . 1 1 86 86 GLY H H 1 8.38 0.05 . 1 . . . . . . . . 4263 1 979 . 1 1 86 86 GLY HA2 H 1 3.57 0.05 . 2 . . . . . . . . 4263 1 980 . 1 1 86 86 GLY HA3 H 1 4.15 0.05 . 2 . . . . . . . . 4263 1 981 . 1 1 86 86 GLY C C 13 172.29 0.1 . 1 . . . . . . . . 4263 1 982 . 1 1 86 86 GLY CA C 13 44.24 0.1 . 1 . . . . . . . . 4263 1 983 . 1 1 86 86 GLY N N 15 107.39 0.1 . 1 . . . . . . . . 4263 1 984 . 1 1 87 87 LEU H H 1 8.44 0.05 . 1 . . . . . . . . 4263 1 985 . 1 1 87 87 LEU HA H 1 4.54 0.05 . 1 . . . . . . . . 4263 1 986 . 1 1 87 87 LEU HB2 H 1 1.67 0.05 . 2 . . . . . . . . 4263 1 987 . 1 1 87 87 LEU HB3 H 1 1.51 0.05 . 2 . . . . . . . . 4263 1 988 . 1 1 87 87 LEU HG H 1 1.48 0.05 . 1 . . . . . . . . 4263 1 989 . 1 1 87 87 LEU HD11 H 1 0.84 0.05 . 1 . . . . . . . . 4263 1 990 . 1 1 87 87 LEU HD12 H 1 0.84 0.05 . 1 . . . . . . . . 4263 1 991 . 1 1 87 87 LEU HD13 H 1 0.84 0.05 . 1 . . . . . . . . 4263 1 992 . 1 1 87 87 LEU HD21 H 1 0.83 0.05 . 1 . . . . . . . . 4263 1 993 . 1 1 87 87 LEU HD22 H 1 0.83 0.05 . 1 . . . . . . . . 4263 1 994 . 1 1 87 87 LEU HD23 H 1 0.83 0.05 . 1 . . . . . . . . 4263 1 995 . 1 1 87 87 LEU C C 13 176.54 0.1 . 1 . . . . . . . . 4263 1 996 . 1 1 87 87 LEU CA C 13 54.64 0.1 . 1 . . . . . . . . 4263 1 997 . 1 1 87 87 LEU CB C 13 41.76 0.1 . 1 . . . . . . . . 4263 1 998 . 1 1 87 87 LEU CD1 C 13 24.23 0.1 . 1 . . . . . . . . 4263 1 999 . 1 1 87 87 LEU CD2 C 13 25.64 0.1 . 1 . . . . . . . . 4263 1 1000 . 1 1 87 87 LEU N N 15 123.94 0.1 . 1 . . . . . . . . 4263 1 1001 . 1 1 88 88 ILE H H 1 8.81 0.05 . 1 . . . . . . . . 4263 1 1002 . 1 1 88 88 ILE HA H 1 4.27 0.05 . 1 . . . . . . . . 4263 1 1003 . 1 1 88 88 ILE HB H 1 1.77 0.05 . 1 . . . . . . . . 4263 1 1004 . 1 1 88 88 ILE HG12 H 1 1.32 0.05 . 1 . . . . . . . . 4263 1 1005 . 1 1 88 88 ILE HG13 H 1 1.32 0.05 . 1 . . . . . . . . 4263 1 1006 . 1 1 88 88 ILE HG21 H 1 0.98 0.05 . 1 . . . . . . . . 4263 1 1007 . 1 1 88 88 ILE HG22 H 1 0.98 0.05 . 1 . . . . . . . . 4263 1 1008 . 1 1 88 88 ILE HG23 H 1 0.98 0.05 . 1 . . . . . . . . 4263 1 1009 . 1 1 88 88 ILE HD11 H 1 0.85 0.05 . 1 . . . . . . . . 4263 1 1010 . 1 1 88 88 ILE HD12 H 1 0.85 0.05 . 1 . . . . . . . . 4263 1 1011 . 1 1 88 88 ILE HD13 H 1 0.85 0.05 . 1 . . . . . . . . 4263 1 1012 . 1 1 88 88 ILE C C 13 175.93 0.1 . 1 . . . . . . . . 4263 1 1013 . 1 1 88 88 ILE CA C 13 61.43 0.1 . 1 . . . . . . . . 4263 1 1014 . 1 1 88 88 ILE CB C 13 38.52 0.1 . 1 . . . . . . . . 4263 1 1015 . 1 1 88 88 ILE CG1 C 13 27.16 0.1 . 1 . . . . . . . . 4263 1 1016 . 1 1 88 88 ILE CG2 C 13 18.03 0.1 . 1 . . . . . . . . 4263 1 1017 . 1 1 88 88 ILE CD1 C 13 12.82 0.1 . 1 . . . . . . . . 4263 1 1018 . 1 1 88 88 ILE N N 15 125.42 0.1 . 1 . . . . . . . . 4263 1 1019 . 1 1 89 89 VAL H H 1 7.27 0.05 . 1 . . . . . . . . 4263 1 1020 . 1 1 89 89 VAL HA H 1 4.08 0.05 . 1 . . . . . . . . 4263 1 1021 . 1 1 89 89 VAL HB H 1 1.56 0.05 . 1 . . . . . . . . 4263 1 1022 . 1 1 89 89 VAL HG11 H 1 0.81 0.05 . 1 . . . . . . . . 4263 1 1023 . 1 1 89 89 VAL HG12 H 1 0.81 0.05 . 1 . . . . . . . . 4263 1 1024 . 1 1 89 89 VAL HG13 H 1 0.81 0.05 . 1 . . . . . . . . 4263 1 1025 . 1 1 89 89 VAL HG21 H 1 0.58 0.05 . 1 . . . . . . . . 4263 1 1026 . 1 1 89 89 VAL HG22 H 1 0.58 0.05 . 1 . . . . . . . . 4263 1 1027 . 1 1 89 89 VAL HG23 H 1 0.58 0.05 . 1 . . . . . . . . 4263 1 1028 . 1 1 89 89 VAL C C 13 173.41 0.1 . 1 . . . . . . . . 4263 1 1029 . 1 1 89 89 VAL CA C 13 61.71 0.1 . 1 . . . . . . . . 4263 1 1030 . 1 1 89 89 VAL CB C 13 36.36 0.1 . 1 . . . . . . . . 4263 1 1031 . 1 1 89 89 VAL CG1 C 13 20.79 0.1 . 1 . . . . . . . . 4263 1 1032 . 1 1 89 89 VAL CG2 C 13 20.94 0.1 . 1 . . . . . . . . 4263 1 1033 . 1 1 89 89 VAL N N 15 118.85 0.1 . 1 . . . . . . . . 4263 1 1034 . 1 1 90 90 ASP H H 1 8.68 0.05 . 1 . . . . . . . . 4263 1 1035 . 1 1 90 90 ASP HA H 1 4.91 0.05 . 1 . . . . . . . . 4263 1 1036 . 1 1 90 90 ASP HB2 H 1 2.29 0.05 . 2 . . . . . . . . 4263 1 1037 . 1 1 90 90 ASP HB3 H 1 2.85 0.05 . 2 . . . . . . . . 4263 1 1038 . 1 1 90 90 ASP C C 13 173.68 0.1 . 1 . . . . . . . . 4263 1 1039 . 1 1 90 90 ASP CA C 13 53.01 0.1 . 1 . . . . . . . . 4263 1 1040 . 1 1 90 90 ASP CB C 13 41.45 0.1 . 1 . . . . . . . . 4263 1 1041 . 1 1 90 90 ASP N N 15 127.54 0.1 . 1 . . . . . . . . 4263 1 1042 . 1 1 91 91 GLN H H 1 8.81 0.05 . 1 . . . . . . . . 4263 1 1043 . 1 1 91 91 GLN HA H 1 4.44 0.05 . 1 . . . . . . . . 4263 1 1044 . 1 1 91 91 GLN C C 13 175.04 0.1 . 1 . . . . . . . . 4263 1 1045 . 1 1 91 91 GLN CA C 13 53.01 0.1 . 1 . . . . . . . . 4263 1 1046 . 1 1 91 91 GLN CB C 13 32.04 0.1 . 1 . . . . . . . . 4263 1 1047 . 1 1 91 91 GLN CG C 13 33.23 0.1 . 1 . . . . . . . . 4263 1 1048 . 1 1 91 91 GLN N N 15 124.57 0.1 . 1 . . . . . . . . 4263 1 1049 . 1 1 92 92 THR H H 1 8.73 0.05 . 1 . . . . . . . . 4263 1 1050 . 1 1 92 92 THR HA H 1 4.60 0.05 . 1 . . . . . . . . 4263 1 1051 . 1 1 92 92 THR HB H 1 4.38 0.05 . 1 . . . . . . . . 4263 1 1052 . 1 1 92 92 THR HG21 H 1 1.34 0.05 . 1 . . . . . . . . 4263 1 1053 . 1 1 92 92 THR HG22 H 1 1.34 0.05 . 1 . . . . . . . . 4263 1 1054 . 1 1 92 92 THR HG23 H 1 1.34 0.05 . 1 . . . . . . . . 4263 1 1055 . 1 1 92 92 THR C C 13 177.00 0.1 . 1 . . . . . . . . 4263 1 1056 . 1 1 92 92 THR CA C 13 61.66 0.1 . 1 . . . . . . . . 4263 1 1057 . 1 1 92 92 THR CB C 13 68.12 0.1 . 1 . . . . . . . . 4263 1 1058 . 1 1 92 92 THR CG2 C 13 21.40 0.1 . 1 . . . . . . . . 4263 1 1059 . 1 1 92 92 THR N N 15 124.78 0.1 . 1 . . . . . . . . 4263 1 1060 . 1 1 93 93 ILE H H 1 8.46 0.05 . 1 . . . . . . . . 4263 1 1061 . 1 1 93 93 ILE HA H 1 3.92 0.05 . 1 . . . . . . . . 4263 1 1062 . 1 1 93 93 ILE HB H 1 1.64 0.05 . 1 . . . . . . . . 4263 1 1063 . 1 1 93 93 ILE HG12 H 1 1.36 0.05 . 2 . . . . . . . . 4263 1 1064 . 1 1 93 93 ILE HG13 H 1 1.63 0.05 . 2 . . . . . . . . 4263 1 1065 . 1 1 93 93 ILE HG21 H 1 1.16 0.05 . 1 . . . . . . . . 4263 1 1066 . 1 1 93 93 ILE HG22 H 1 1.16 0.05 . 1 . . . . . . . . 4263 1 1067 . 1 1 93 93 ILE HG23 H 1 1.16 0.05 . 1 . . . . . . . . 4263 1 1068 . 1 1 93 93 ILE HD11 H 1 0.86 0.05 . 1 . . . . . . . . 4263 1 1069 . 1 1 93 93 ILE HD12 H 1 0.86 0.05 . 1 . . . . . . . . 4263 1 1070 . 1 1 93 93 ILE HD13 H 1 0.86 0.05 . 1 . . . . . . . . 4263 1 1071 . 1 1 93 93 ILE C C 13 176.08 0.1 . 1 . . . . . . . . 4263 1 1072 . 1 1 93 93 ILE CA C 13 61.38 0.1 . 1 . . . . . . . . 4263 1 1073 . 1 1 93 93 ILE CB C 13 37.93 0.1 . 1 . . . . . . . . 4263 1 1074 . 1 1 93 93 ILE CG1 C 13 28.78 0.1 . 1 . . . . . . . . 4263 1 1075 . 1 1 93 93 ILE CG2 C 13 19.10 0.1 . 1 . . . . . . . . 4263 1 1076 . 1 1 93 93 ILE CD1 C 13 13.03 0.1 . 1 . . . . . . . . 4263 1 1077 . 1 1 93 93 ILE N N 15 131.15 0.1 . 1 . . . . . . . . 4263 1 1078 . 1 1 94 94 GLU H H 1 8.58 0.05 . 1 . . . . . . . . 4263 1 1079 . 1 1 94 94 GLU HA H 1 3.96 0.05 . 1 . . . . . . . . 4263 1 1080 . 1 1 94 94 GLU HB2 H 1 2.02 0.05 . 2 . . . . . . . . 4263 1 1081 . 1 1 94 94 GLU HB3 H 1 2.12 0.05 . 2 . . . . . . . . 4263 1 1082 . 1 1 94 94 GLU HG2 H 1 2.28 0.05 . 2 . . . . . . . . 4263 1 1083 . 1 1 94 94 GLU HG3 H 1 2.32 0.05 . 2 . . . . . . . . 4263 1 1084 . 1 1 94 94 GLU C C 13 176.36 0.1 . 1 . . . . . . . . 4263 1 1085 . 1 1 94 94 GLU CA C 13 58.77 0.1 . 1 . . . . . . . . 4263 1 1086 . 1 1 94 94 GLU CB C 13 29.22 0.1 . 1 . . . . . . . . 4263 1 1087 . 1 1 94 94 GLU CG C 13 37.04 0.1 . 1 . . . . . . . . 4263 1 1088 . 1 1 94 94 GLU N N 15 116.73 0.1 . 1 . . . . . . . . 4263 1 1089 . 1 1 95 95 LYS H H 1 6.64 0.05 . 1 . . . . . . . . 4263 1 1090 . 1 1 95 95 LYS HA H 1 4.47 0.05 . 1 . . . . . . . . 4263 1 1091 . 1 1 95 95 LYS HB2 H 1 1.47 0.05 . 1 . . . . . . . . 4263 1 1092 . 1 1 95 95 LYS HB3 H 1 1.47 0.05 . 1 . . . . . . . . 4263 1 1093 . 1 1 95 95 LYS C C 13 174.42 0.1 . 1 . . . . . . . . 4263 1 1094 . 1 1 95 95 LYS CA C 13 53.99 0.1 . 1 . . . . . . . . 4263 1 1095 . 1 1 95 95 LYS CB C 13 32.51 0.1 . 1 . . . . . . . . 4263 1 1096 . 1 1 95 95 LYS CG C 13 25.09 0.1 . 1 . . . . . . . . 4263 1 1097 . 1 1 95 95 LYS CD C 13 28.63 0.1 . 1 . . . . . . . . 4263 1 1098 . 1 1 95 95 LYS CE C 13 42.04 0.1 . 1 . . . . . . . . 4263 1 1099 . 1 1 95 95 LYS N N 15 112.90 0.1 . 1 . . . . . . . . 4263 1 1100 . 1 1 96 96 VAL H H 1 7.71 0.05 . 1 . . . . . . . . 4263 1 1101 . 1 1 96 96 VAL HA H 1 4.42 0.05 . 1 . . . . . . . . 4263 1 1102 . 1 1 96 96 VAL HB H 1 2.42 0.05 . 1 . . . . . . . . 4263 1 1103 . 1 1 96 96 VAL HG11 H 1 1.36 0.05 . 1 . . . . . . . . 4263 1 1104 . 1 1 96 96 VAL HG12 H 1 1.36 0.05 . 1 . . . . . . . . 4263 1 1105 . 1 1 96 96 VAL HG13 H 1 1.36 0.05 . 1 . . . . . . . . 4263 1 1106 . 1 1 96 96 VAL HG21 H 1 0.91 0.05 . 1 . . . . . . . . 4263 1 1107 . 1 1 96 96 VAL HG22 H 1 0.91 0.05 . 1 . . . . . . . . 4263 1 1108 . 1 1 96 96 VAL HG23 H 1 0.91 0.05 . 1 . . . . . . . . 4263 1 1109 . 1 1 96 96 VAL C C 13 174.48 0.1 . 1 . . . . . . . . 4263 1 1110 . 1 1 96 96 VAL CA C 13 62.95 0.1 . 1 . . . . . . . . 4263 1 1111 . 1 1 96 96 VAL CB C 13 32.04 0.1 . 1 . . . . . . . . 4263 1 1112 . 1 1 96 96 VAL CG1 C 13 23.90 0.1 . 1 . . . . . . . . 4263 1 1113 . 1 1 96 96 VAL CG2 C 13 23.04 0.1 . 1 . . . . . . . . 4263 1 1114 . 1 1 96 96 VAL N N 15 121.39 0.1 . 1 . . . . . . . . 4263 1 1115 . 1 1 97 97 SER H H 1 9.55 0.05 . 1 . . . . . . . . 4263 1 1116 . 1 1 97 97 SER HA H 1 4.41 0.05 . 1 . . . . . . . . 4263 1 1117 . 1 1 97 97 SER CA C 13 58.88 0.1 . 1 . . . . . . . . 4263 1 1118 . 1 1 97 97 SER CB C 13 65.29 0.1 . 1 . . . . . . . . 4263 1 1119 . 1 1 97 97 SER N N 15 121.39 0.1 . 1 . . . . . . . . 4263 1 1120 . 1 1 98 98 PHE H H 1 8.07 0.05 . 1 . . . . . . . . 4263 1 1121 . 1 1 98 98 PHE HA H 1 5.55 0.05 . 1 . . . . . . . . 4263 1 1122 . 1 1 98 98 PHE HB2 H 1 2.58 0.05 . 1 . . . . . . . . 4263 1 1123 . 1 1 98 98 PHE HB3 H 1 2.58 0.05 . 1 . . . . . . . . 4263 1 1124 . 1 1 98 98 PHE HE1 H 1 6.90 0.05 . 1 . . . . . . . . 4263 1 1125 . 1 1 98 98 PHE HE2 H 1 6.90 0.05 . 1 . . . . . . . . 4263 1 1126 . 1 1 98 98 PHE C C 13 173.58 0.1 . 1 . . . . . . . . 4263 1 1127 . 1 1 98 98 PHE CA C 13 58.33 0.1 . 1 . . . . . . . . 4263 1 1128 . 1 1 98 98 PHE CB C 13 44.84 0.1 . 1 . . . . . . . . 4263 1 1129 . 1 1 98 98 PHE N N 15 126.69 0.1 . 1 . . . . . . . . 4263 1 1130 . 1 1 99 99 CYS H H 1 8.73 0.05 . 1 . . . . . . . . 4263 1 1131 . 1 1 99 99 CYS HA H 1 5.41 0.05 . 1 . . . . . . . . 4263 1 1132 . 1 1 99 99 CYS HB2 H 1 3.65 0.05 . 2 . . . . . . . . 4263 1 1133 . 1 1 99 99 CYS HB3 H 1 2.75 0.05 . 2 . . . . . . . . 4263 1 1134 . 1 1 99 99 CYS C C 13 170.02 0.1 . 1 . . . . . . . . 4263 1 1135 . 1 1 99 99 CYS CA C 13 57.03 0.1 . 1 . . . . . . . . 4263 1 1136 . 1 1 99 99 CYS CB C 13 32.08 0.1 . 1 . . . . . . . . 4263 1 1137 . 1 1 99 99 CYS N N 15 122.03 0.1 . 1 . . . . . . . . 4263 1 1138 . 1 1 100 100 ALA H H 1 8.56 0.05 . 1 . . . . . . . . 4263 1 1139 . 1 1 100 100 ALA HA H 1 4.94 0.05 . 1 . . . . . . . . 4263 1 1140 . 1 1 100 100 ALA HB1 H 1 1.55 0.05 . 1 . . . . . . . . 4263 1 1141 . 1 1 100 100 ALA HB2 H 1 1.55 0.05 . 1 . . . . . . . . 4263 1 1142 . 1 1 100 100 ALA HB3 H 1 1.55 0.05 . 1 . . . . . . . . 4263 1 1143 . 1 1 100 100 ALA C C 13 174.49 0.1 . 1 . . . . . . . . 4263 1 1144 . 1 1 100 100 ALA CA C 13 51.27 0.1 . 1 . . . . . . . . 4263 1 1145 . 1 1 100 100 ALA CB C 13 22.37 0.1 . 1 . . . . . . . . 4263 1 1146 . 1 1 100 100 ALA N N 15 119.69 0.1 . 1 . . . . . . . . 4263 1 1147 . 1 1 101 101 PRO HA H 1 5.20 0.05 . 1 . . . . . . . . 4263 1 1148 . 1 1 101 101 PRO HB2 H 1 3.98 0.05 . 1 . . . . . . . . 4263 1 1149 . 1 1 101 101 PRO HB3 H 1 3.98 0.05 . 1 . . . . . . . . 4263 1 1150 . 1 1 101 101 PRO C C 13 173.50 0.1 . 1 . . . . . . . . 4263 1 1151 . 1 1 101 101 PRO CA C 13 61.45 0.1 . 1 . . . . . . . . 4263 1 1152 . 1 1 101 101 PRO CB C 13 30.92 0.1 . 1 . . . . . . . . 4263 1 1153 . 1 1 101 101 PRO CG C 13 26.32 0.1 . 1 . . . . . . . . 4263 1 1154 . 1 1 101 101 PRO CD C 13 50.09 0.1 . 1 . . . . . . . . 4263 1 1155 . 1 1 102 102 ASP H H 1 8.22 0.05 . 1 . . . . . . . . 4263 1 1156 . 1 1 102 102 ASP HA H 1 4.47 0.05 . 1 . . . . . . . . 4263 1 1157 . 1 1 102 102 ASP HB2 H 1 3.37 0.05 . 1 . . . . . . . . 4263 1 1158 . 1 1 102 102 ASP HB3 H 1 3.37 0.05 . 1 . . . . . . . . 4263 1 1159 . 1 1 102 102 ASP C C 13 177.11 0.1 . 1 . . . . . . . . 4263 1 1160 . 1 1 102 102 ASP CA C 13 53.23 0.1 . 1 . . . . . . . . 4263 1 1161 . 1 1 102 102 ASP CB C 13 44.17 0.1 . 1 . . . . . . . . 4263 1 1162 . 1 1 102 102 ASP N N 15 121.18 0.1 . 1 . . . . . . . . 4263 1 1163 . 1 1 103 103 ARG H H 1 8.90 0.05 . 1 . . . . . . . . 4263 1 1164 . 1 1 103 103 ARG HA H 1 4.10 0.05 . 1 . . . . . . . . 4263 1 1165 . 1 1 103 103 ARG HB2 H 1 1.83 0.05 . 1 . . . . . . . . 4263 1 1166 . 1 1 103 103 ARG HB3 H 1 1.83 0.05 . 1 . . . . . . . . 4263 1 1167 . 1 1 103 103 ARG HG2 H 1 1.83 0.05 . 1 . . . . . . . . 4263 1 1168 . 1 1 103 103 ARG HG3 H 1 1.83 0.05 . 1 . . . . . . . . 4263 1 1169 . 1 1 103 103 ARG HD2 H 1 3.31 0.05 . 1 . . . . . . . . 4263 1 1170 . 1 1 103 103 ARG HD3 H 1 3.31 0.05 . 1 . . . . . . . . 4263 1 1171 . 1 1 103 103 ARG HE H 1 7.17 0.05 . 1 . . . . . . . . 4263 1 1172 . 1 1 103 103 ARG C C 13 176.81 0.1 . 1 . . . . . . . . 4263 1 1173 . 1 1 103 103 ARG CA C 13 58.21 0.1 . 1 . . . . . . . . 4263 1 1174 . 1 1 103 103 ARG CB C 13 30.24 0.1 . 1 . . . . . . . . 4263 1 1175 . 1 1 103 103 ARG CG C 13 26.72 0.1 . 1 . . . . . . . . 4263 1 1176 . 1 1 103 103 ARG CD C 13 43.34 0.1 . 1 . . . . . . . . 4263 1 1177 . 1 1 103 103 ARG N N 15 126.06 0.1 . 1 . . . . . . . . 4263 1 1178 . 1 1 103 103 ARG NE N 15 112.69 0.1 . 1 . . . . . . . . 4263 1 1179 . 1 1 104 104 ASN H H 1 8.74 0.05 . 1 . . . . . . . . 4263 1 1180 . 1 1 104 104 ASN HA H 1 4.74 0.05 . 1 . . . . . . . . 4263 1 1181 . 1 1 104 104 ASN HB2 H 1 2.67 0.05 . 2 . . . . . . . . 4263 1 1182 . 1 1 104 104 ASN HB3 H 1 2.82 0.05 . 2 . . . . . . . . 4263 1 1183 . 1 1 104 104 ASN C C 13 174.57 0.1 . 1 . . . . . . . . 4263 1 1184 . 1 1 104 104 ASN CA C 13 53.35 0.1 . 1 . . . . . . . . 4263 1 1185 . 1 1 104 104 ASN CB C 13 39.50 0.1 . 1 . . . . . . . . 4263 1 1186 . 1 1 104 104 ASN N N 15 114.81 0.1 . 1 . . . . . . . . 4263 1 1187 . 1 1 105 105 HIS H H 1 7.69 0.05 . 1 . . . . . . . . 4263 1 1188 . 1 1 105 105 HIS HA H 1 4.56 0.05 . 1 . . . . . . . . 4263 1 1189 . 1 1 105 105 HIS HB2 H 1 3.31 0.05 . 2 . . . . . . . . 4263 1 1190 . 1 1 105 105 HIS HB3 H 1 3.04 0.05 . 2 . . . . . . . . 4263 1 1191 . 1 1 105 105 HIS HD2 H 1 7.01 0.05 . 1 . . . . . . . . 4263 1 1192 . 1 1 105 105 HIS HE1 H 1 7.01 0.05 . 1 . . . . . . . . 4263 1 1193 . 1 1 105 105 HIS C C 13 175.48 0.1 . 1 . . . . . . . . 4263 1 1194 . 1 1 105 105 HIS CA C 13 56.60 0.1 . 1 . . . . . . . . 4263 1 1195 . 1 1 105 105 HIS CB C 13 32.26 0.1 . 1 . . . . . . . . 4263 1 1196 . 1 1 105 105 HIS N N 15 120.75 0.1 . 1 . . . . . . . . 4263 1 1197 . 1 1 106 106 GLU H H 1 9.11 0.05 . 1 . . . . . . . . 4263 1 1198 . 1 1 106 106 GLU HA H 1 4.42 0.05 . 1 . . . . . . . . 4263 1 1199 . 1 1 106 106 GLU HB2 H 1 2.82 0.05 . 2 . . . . . . . . 4263 1 1200 . 1 1 106 106 GLU HB3 H 1 2.15 0.05 . 2 . . . . . . . . 4263 1 1201 . 1 1 106 106 GLU HG2 H 1 2.38 0.05 . 1 . . . . . . . . 4263 1 1202 . 1 1 106 106 GLU HG3 H 1 2.38 0.05 . 1 . . . . . . . . 4263 1 1203 . 1 1 106 106 GLU C C 13 177.25 0.1 . 1 . . . . . . . . 4263 1 1204 . 1 1 106 106 GLU CA C 13 59.17 0.1 . 1 . . . . . . . . 4263 1 1205 . 1 1 106 106 GLU CB C 13 29.54 0.1 . 1 . . . . . . . . 4263 1 1206 . 1 1 106 106 GLU CG C 13 35.85 0.1 . 1 . . . . . . . . 4263 1 1207 . 1 1 106 106 GLU N N 15 127.97 0.1 . 1 . . . . . . . . 4263 1 1208 . 1 1 107 107 ARG H H 1 9.87 0.05 . 1 . . . . . . . . 4263 1 1209 . 1 1 107 107 ARG HA H 1 4.72 0.05 . 1 . . . . . . . . 4263 1 1210 . 1 1 107 107 ARG HB2 H 1 1.81 0.05 . 1 . . . . . . . . 4263 1 1211 . 1 1 107 107 ARG HB3 H 1 1.81 0.05 . 1 . . . . . . . . 4263 1 1212 . 1 1 107 107 ARG HG2 H 1 1.81 0.05 . 1 . . . . . . . . 4263 1 1213 . 1 1 107 107 ARG HG3 H 1 1.81 0.05 . 1 . . . . . . . . 4263 1 1214 . 1 1 107 107 ARG HD2 H 1 3.19 0.05 . 1 . . . . . . . . 4263 1 1215 . 1 1 107 107 ARG HD3 H 1 3.19 0.05 . 1 . . . . . . . . 4263 1 1216 . 1 1 107 107 ARG HE H 1 7.29 0.05 . 1 . . . . . . . . 4263 1 1217 . 1 1 107 107 ARG C C 13 176.23 0.1 . 1 . . . . . . . . 4263 1 1218 . 1 1 107 107 ARG CA C 13 55.29 0.1 . 1 . . . . . . . . 4263 1 1219 . 1 1 107 107 ARG CB C 13 29.54 0.1 . 1 . . . . . . . . 4263 1 1220 . 1 1 107 107 ARG CG C 13 28.15 0.1 . 1 . . . . . . . . 4263 1 1221 . 1 1 107 107 ARG CD C 13 42.92 0.1 . 1 . . . . . . . . 4263 1 1222 . 1 1 107 107 ARG N N 15 118.63 0.1 . 1 . . . . . . . . 4263 1 1223 . 1 1 107 107 ARG NE N 15 113.10 0.1 . 1 . . . . . . . . 4263 1 1224 . 1 1 108 108 GLY H H 1 8.47 0.05 . 1 . . . . . . . . 4263 1 1225 . 1 1 108 108 GLY HA2 H 1 3.59 0.05 . 1 . . . . . . . . 4263 1 1226 . 1 1 108 108 GLY HA3 H 1 3.59 0.05 . 1 . . . . . . . . 4263 1 1227 . 1 1 108 108 GLY C C 13 172.73 0.1 . 1 . . . . . . . . 4263 1 1228 . 1 1 108 108 GLY CA C 13 45.95 0.1 . 1 . . . . . . . . 4263 1 1229 . 1 1 108 108 GLY N N 15 107.18 0.1 . 1 . . . . . . . . 4263 1 1230 . 1 1 109 109 PHE H H 1 8.82 0.05 . 1 . . . . . . . . 4263 1 1231 . 1 1 109 109 PHE HA H 1 5.13 0.05 . 1 . . . . . . . . 4263 1 1232 . 1 1 109 109 PHE HB2 H 1 2.37 0.05 . 2 . . . . . . . . 4263 1 1233 . 1 1 109 109 PHE HB3 H 1 3.45 0.05 . 2 . . . . . . . . 4263 1 1234 . 1 1 109 109 PHE HE1 H 1 6.94 0.05 . 1 . . . . . . . . 4263 1 1235 . 1 1 109 109 PHE HE2 H 1 6.94 0.05 . 1 . . . . . . . . 4263 1 1236 . 1 1 109 109 PHE C C 13 171.45 0.1 . 1 . . . . . . . . 4263 1 1237 . 1 1 109 109 PHE CA C 13 56.89 0.1 . 1 . . . . . . . . 4263 1 1238 . 1 1 109 109 PHE CB C 13 43.85 0.1 . 1 . . . . . . . . 4263 1 1239 . 1 1 109 109 PHE N N 15 124.15 0.1 . 1 . . . . . . . . 4263 1 1240 . 1 1 110 110 SER H H 1 7.65 0.05 . 1 . . . . . . . . 4263 1 1241 . 1 1 110 110 SER HA H 1 5.35 0.05 . 1 . . . . . . . . 4263 1 1242 . 1 1 110 110 SER HB2 H 1 3.62 0.05 . 1 . . . . . . . . 4263 1 1243 . 1 1 110 110 SER HB3 H 1 3.62 0.05 . 1 . . . . . . . . 4263 1 1244 . 1 1 110 110 SER C C 13 171.33 0.1 . 1 . . . . . . . . 4263 1 1245 . 1 1 110 110 SER CA C 13 57.46 0.1 . 1 . . . . . . . . 4263 1 1246 . 1 1 110 110 SER CB C 13 67.28 0.1 . 1 . . . . . . . . 4263 1 1247 . 1 1 110 110 SER N N 15 120.54 0.1 . 1 . . . . . . . . 4263 1 1248 . 1 1 111 111 TYR H H 1 8.12 0.05 . 1 . . . . . . . . 4263 1 1249 . 1 1 111 111 TYR HA H 1 5.47 0.05 . 1 . . . . . . . . 4263 1 1250 . 1 1 111 111 TYR HB2 H 1 3.64 0.05 . 2 . . . . . . . . 4263 1 1251 . 1 1 111 111 TYR HB3 H 1 2.66 0.05 . 2 . . . . . . . . 4263 1 1252 . 1 1 111 111 TYR HD1 H 1 6.90 0.05 . 1 . . . . . . . . 4263 1 1253 . 1 1 111 111 TYR HD2 H 1 6.90 0.05 . 1 . . . . . . . . 4263 1 1254 . 1 1 111 111 TYR HE1 H 1 6.63 0.05 . 1 . . . . . . . . 4263 1 1255 . 1 1 111 111 TYR HE2 H 1 6.63 0.05 . 1 . . . . . . . . 4263 1 1256 . 1 1 111 111 TYR C C 13 172.27 0.1 . 1 . . . . . . . . 4263 1 1257 . 1 1 111 111 TYR CA C 13 55.84 0.1 . 1 . . . . . . . . 4263 1 1258 . 1 1 111 111 TYR CB C 13 42.04 0.1 . 1 . . . . . . . . 4263 1 1259 . 1 1 111 111 TYR N N 15 112.27 0.1 . 1 . . . . . . . . 4263 1 1260 . 1 1 112 112 ILE H H 1 9.13 0.05 . 1 . . . . . . . . 4263 1 1261 . 1 1 112 112 ILE HA H 1 5.46 0.05 . 1 . . . . . . . . 4263 1 1262 . 1 1 112 112 ILE HB H 1 1.70 0.05 . 1 . . . . . . . . 4263 1 1263 . 1 1 112 112 ILE HG12 H 1 1.73 0.05 . 1 . . . . . . . . 4263 1 1264 . 1 1 112 112 ILE HG13 H 1 1.73 0.05 . 1 . . . . . . . . 4263 1 1265 . 1 1 112 112 ILE HG21 H 1 1.00 0.05 . 1 . . . . . . . . 4263 1 1266 . 1 1 112 112 ILE HG22 H 1 1.00 0.05 . 1 . . . . . . . . 4263 1 1267 . 1 1 112 112 ILE HG23 H 1 1.00 0.05 . 1 . . . . . . . . 4263 1 1268 . 1 1 112 112 ILE HD11 H 1 0.61 0.05 . 1 . . . . . . . . 4263 1 1269 . 1 1 112 112 ILE HD12 H 1 0.61 0.05 . 1 . . . . . . . . 4263 1 1270 . 1 1 112 112 ILE HD13 H 1 0.61 0.05 . 1 . . . . . . . . 4263 1 1271 . 1 1 112 112 ILE C C 13 174.92 0.1 . 1 . . . . . . . . 4263 1 1272 . 1 1 112 112 ILE CA C 13 60.01 0.1 . 1 . . . . . . . . 4263 1 1273 . 1 1 112 112 ILE CB C 13 40.41 0.1 . 1 . . . . . . . . 4263 1 1274 . 1 1 112 112 ILE CG2 C 13 18.25 0.1 . 1 . . . . . . . . 4263 1 1275 . 1 1 112 112 ILE CD1 C 13 13.65 0.1 . 1 . . . . . . . . 4263 1 1276 . 1 1 112 112 ILE N N 15 120.75 0.1 . 1 . . . . . . . . 4263 1 1277 . 1 1 113 113 CYS H H 1 9.72 0.05 . 1 . . . . . . . . 4263 1 1278 . 1 1 113 113 CYS HA H 1 5.95 0.05 . 1 . . . . . . . . 4263 1 1279 . 1 1 113 113 CYS HB2 H 1 3.04 0.05 . 1 . . . . . . . . 4263 1 1280 . 1 1 113 113 CYS HB3 H 1 3.04 0.05 . 1 . . . . . . . . 4263 1 1281 . 1 1 113 113 CYS C C 13 171.95 0.1 . 1 . . . . . . . . 4263 1 1282 . 1 1 113 113 CYS CA C 13 53.45 0.1 . 1 . . . . . . . . 4263 1 1283 . 1 1 113 113 CYS CB C 13 33.30 0.1 . 1 . . . . . . . . 4263 1 1284 . 1 1 113 113 CYS N N 15 121.60 0.1 . 1 . . . . . . . . 4263 1 1285 . 1 1 114 114 ARG H H 1 8.25 0.05 . 1 . . . . . . . . 4263 1 1286 . 1 1 114 114 ARG HA H 1 4.29 0.05 . 1 . . . . . . . . 4263 1 1287 . 1 1 114 114 ARG HB2 H 1 1.34 0.05 . 1 . . . . . . . . 4263 1 1288 . 1 1 114 114 ARG HB3 H 1 1.34 0.05 . 1 . . . . . . . . 4263 1 1289 . 1 1 114 114 ARG HG2 H 1 0.99 0.05 . 1 . . . . . . . . 4263 1 1290 . 1 1 114 114 ARG HG3 H 1 0.99 0.05 . 1 . . . . . . . . 4263 1 1291 . 1 1 114 114 ARG HD2 H 1 2.23 0.05 . 1 . . . . . . . . 4263 1 1292 . 1 1 114 114 ARG HD3 H 1 2.23 0.05 . 1 . . . . . . . . 4263 1 1293 . 1 1 114 114 ARG HE H 1 6.96 0.05 . 1 . . . . . . . . 4263 1 1294 . 1 1 114 114 ARG C C 13 175.42 0.1 . 1 . . . . . . . . 4263 1 1295 . 1 1 114 114 ARG CA C 13 53.55 0.1 . 1 . . . . . . . . 4263 1 1296 . 1 1 114 114 ARG CB C 13 30.41 0.1 . 1 . . . . . . . . 4263 1 1297 . 1 1 114 114 ARG CG C 13 25.24 0.1 . 1 . . . . . . . . 4263 1 1298 . 1 1 114 114 ARG CD C 13 41.41 0.1 . 1 . . . . . . . . 4263 1 1299 . 1 1 114 114 ARG N N 15 120.97 0.1 . 1 . . . . . . . . 4263 1 1300 . 1 1 114 114 ARG NE N 15 112.02 0.1 . 1 . . . . . . . . 4263 1 1301 . 1 1 115 115 ASP H H 1 8.73 0.05 . 1 . . . . . . . . 4263 1 1302 . 1 1 115 115 ASP HA H 1 4.67 0.05 . 1 . . . . . . . . 4263 1 1303 . 1 1 115 115 ASP HB2 H 1 2.46 0.05 . 2 . . . . . . . . 4263 1 1304 . 1 1 115 115 ASP HB3 H 1 2.80 0.05 . 2 . . . . . . . . 4263 1 1305 . 1 1 115 115 ASP C C 13 176.44 0.1 . 1 . . . . . . . . 4263 1 1306 . 1 1 115 115 ASP CA C 13 53.66 0.1 . 1 . . . . . . . . 4263 1 1307 . 1 1 115 115 ASP CB C 13 42.15 0.1 . 1 . . . . . . . . 4263 1 1308 . 1 1 115 115 ASP N N 15 129.03 0.1 . 1 . . . . . . . . 4263 1 1309 . 1 1 116 116 GLY H H 1 8.49 0.05 . 1 . . . . . . . . 4263 1 1310 . 1 1 116 116 GLY HA2 H 1 3.97 0.05 . 2 . . . . . . . . 4263 1 1311 . 1 1 116 116 GLY HA3 H 1 3.82 0.05 . 2 . . . . . . . . 4263 1 1312 . 1 1 116 116 GLY C C 13 175.09 0.1 . 1 . . . . . . . . 4263 1 1313 . 1 1 116 116 GLY CA C 13 46.66 0.1 . 1 . . . . . . . . 4263 1 1314 . 1 1 116 116 GLY N N 15 113.33 0.1 . 1 . . . . . . . . 4263 1 1315 . 1 1 117 117 THR H H 1 8.21 0.05 . 1 . . . . . . . . 4263 1 1316 . 1 1 117 117 THR HA H 1 4.27 0.05 . 1 . . . . . . . . 4263 1 1317 . 1 1 117 117 THR HB H 1 4.31 0.05 . 1 . . . . . . . . 4263 1 1318 . 1 1 117 117 THR HG21 H 1 1.24 0.05 . 1 . . . . . . . . 4263 1 1319 . 1 1 117 117 THR HG22 H 1 1.24 0.05 . 1 . . . . . . . . 4263 1 1320 . 1 1 117 117 THR HG23 H 1 1.24 0.05 . 1 . . . . . . . . 4263 1 1321 . 1 1 117 117 THR C C 13 175.40 0.1 . 1 . . . . . . . . 4263 1 1322 . 1 1 117 117 THR CA C 13 63.99 0.1 . 1 . . . . . . . . 4263 1 1323 . 1 1 117 117 THR CB C 13 68.74 0.1 . 1 . . . . . . . . 4263 1 1324 . 1 1 117 117 THR CG2 C 13 21.63 0.1 . 1 . . . . . . . . 4263 1 1325 . 1 1 117 117 THR N N 15 113.97 0.1 . 1 . . . . . . . . 4263 1 1326 . 1 1 118 118 THR H H 1 7.58 0.05 . 1 . . . . . . . . 4263 1 1327 . 1 1 118 118 THR HA H 1 4.40 0.05 . 1 . . . . . . . . 4263 1 1328 . 1 1 118 118 THR HB H 1 4.25 0.05 . 1 . . . . . . . . 4263 1 1329 . 1 1 118 118 THR HG21 H 1 1.18 0.05 . 1 . . . . . . . . 4263 1 1330 . 1 1 118 118 THR HG22 H 1 1.18 0.05 . 1 . . . . . . . . 4263 1 1331 . 1 1 118 118 THR HG23 H 1 1.18 0.05 . 1 . . . . . . . . 4263 1 1332 . 1 1 118 118 THR C C 13 174.05 0.1 . 1 . . . . . . . . 4263 1 1333 . 1 1 118 118 THR CA C 13 61.27 0.1 . 1 . . . . . . . . 4263 1 1334 . 1 1 118 118 THR CB C 13 70.63 0.1 . 1 . . . . . . . . 4263 1 1335 . 1 1 118 118 THR CG2 C 13 21.29 0.1 . 1 . . . . . . . . 4263 1 1336 . 1 1 118 118 THR N N 15 110.36 0.1 . 1 . . . . . . . . 4263 1 1337 . 1 1 119 119 ARG H H 1 7.93 0.05 . 1 . . . . . . . . 4263 1 1338 . 1 1 119 119 ARG HA H 1 3.69 0.05 . 1 . . . . . . . . 4263 1 1339 . 1 1 119 119 ARG HB2 H 1 1.87 0.05 . 1 . . . . . . . . 4263 1 1340 . 1 1 119 119 ARG HB3 H 1 1.87 0.05 . 1 . . . . . . . . 4263 1 1341 . 1 1 119 119 ARG HG2 H 1 1.47 0.05 . 1 . . . . . . . . 4263 1 1342 . 1 1 119 119 ARG HG3 H 1 1.47 0.05 . 1 . . . . . . . . 4263 1 1343 . 1 1 119 119 ARG HD2 H 1 3.15 0.05 . 1 . . . . . . . . 4263 1 1344 . 1 1 119 119 ARG HD3 H 1 3.15 0.05 . 1 . . . . . . . . 4263 1 1345 . 1 1 119 119 ARG HE H 1 7.15 0.05 . 1 . . . . . . . . 4263 1 1346 . 1 1 119 119 ARG C C 13 174.33 0.1 . 1 . . . . . . . . 4263 1 1347 . 1 1 119 119 ARG CA C 13 56.49 0.1 . 1 . . . . . . . . 4263 1 1348 . 1 1 119 119 ARG CB C 13 26.61 0.1 . 1 . . . . . . . . 4263 1 1349 . 1 1 119 119 ARG CG C 13 26.94 0.1 . 1 . . . . . . . . 4263 1 1350 . 1 1 119 119 ARG CD C 13 42.70 0.1 . 1 . . . . . . . . 4263 1 1351 . 1 1 119 119 ARG N N 15 117.36 0.1 . 1 . . . . . . . . 4263 1 1352 . 1 1 119 119 ARG NE N 15 111.41 0.1 . 1 . . . . . . . . 4263 1 1353 . 1 1 120 120 ARG H H 1 7.35 0.05 . 1 . . . . . . . . 4263 1 1354 . 1 1 120 120 ARG HA H 1 4.31 0.05 . 1 . . . . . . . . 4263 1 1355 . 1 1 120 120 ARG HB2 H 1 1.62 0.05 . 1 . . . . . . . . 4263 1 1356 . 1 1 120 120 ARG HB3 H 1 1.62 0.05 . 1 . . . . . . . . 4263 1 1357 . 1 1 120 120 ARG HG2 H 1 1.44 0.05 . 1 . . . . . . . . 4263 1 1358 . 1 1 120 120 ARG HG3 H 1 1.44 0.05 . 1 . . . . . . . . 4263 1 1359 . 1 1 120 120 ARG HD2 H 1 3.15 0.05 . 1 . . . . . . . . 4263 1 1360 . 1 1 120 120 ARG HD3 H 1 3.15 0.05 . 1 . . . . . . . . 4263 1 1361 . 1 1 120 120 ARG HE H 1 7.17 0.05 . 1 . . . . . . . . 4263 1 1362 . 1 1 120 120 ARG C C 13 175.40 0.1 . 1 . . . . . . . . 4263 1 1363 . 1 1 120 120 ARG CA C 13 55.06 0.1 . 1 . . . . . . . . 4263 1 1364 . 1 1 120 120 ARG CB C 13 33.60 0.1 . 1 . . . . . . . . 4263 1 1365 . 1 1 120 120 ARG CG C 13 26.83 0.1 . 1 . . . . . . . . 4263 1 1366 . 1 1 120 120 ARG CD C 13 43.67 0.1 . 1 . . . . . . . . 4263 1 1367 . 1 1 120 120 ARG N N 15 118.21 0.1 . 1 . . . . . . . . 4263 1 1368 . 1 1 120 120 ARG NE N 15 112.67 0.1 . 1 . . . . . . . . 4263 1 1369 . 1 1 121 121 TRP H H 1 8.69 0.05 . 1 . . . . . . . . 4263 1 1370 . 1 1 121 121 TRP HA H 1 5.26 0.05 . 1 . . . . . . . . 4263 1 1371 . 1 1 121 121 TRP HB2 H 1 2.64 0.05 . 1 . . . . . . . . 4263 1 1372 . 1 1 121 121 TRP HB3 H 1 2.64 0.05 . 1 . . . . . . . . 4263 1 1373 . 1 1 121 121 TRP HD1 H 1 6.89 0.05 . 1 . . . . . . . . 4263 1 1374 . 1 1 121 121 TRP HE1 H 1 10.01 0.05 . 1 . . . . . . . . 4263 1 1375 . 1 1 121 121 TRP HE3 H 1 6.89 0.05 . 1 . . . . . . . . 4263 1 1376 . 1 1 121 121 TRP HZ2 H 1 7.55 0.05 . 1 . . . . . . . . 4263 1 1377 . 1 1 121 121 TRP HH2 H 1 7.25 0.05 . 1 . . . . . . . . 4263 1 1378 . 1 1 121 121 TRP C C 13 175.14 0.1 . 1 . . . . . . . . 4263 1 1379 . 1 1 121 121 TRP CA C 13 55.18 0.1 . 1 . . . . . . . . 4263 1 1380 . 1 1 121 121 TRP CB C 13 29.59 0.1 . 1 . . . . . . . . 4263 1 1381 . 1 1 121 121 TRP N N 15 123.72 0.1 . 1 . . . . . . . . 4263 1 1382 . 1 1 121 121 TRP NE1 N 15 128.09 0.1 . 1 . . . . . . . . 4263 1 1383 . 1 1 122 122 MET H H 1 9.16 0.05 . 1 . . . . . . . . 4263 1 1384 . 1 1 122 122 MET HA H 1 5.27 0.05 . 1 . . . . . . . . 4263 1 1385 . 1 1 122 122 MET HB2 H 1 1.65 0.05 . 1 . . . . . . . . 4263 1 1386 . 1 1 122 122 MET HB3 H 1 1.65 0.05 . 1 . . . . . . . . 4263 1 1387 . 1 1 122 122 MET HG2 H 1 2.19 0.05 . 1 . . . . . . . . 4263 1 1388 . 1 1 122 122 MET HG3 H 1 2.19 0.05 . 1 . . . . . . . . 4263 1 1389 . 1 1 122 122 MET HE1 H 1 1.78 0.05 . 1 . . . . . . . . 4263 1 1390 . 1 1 122 122 MET HE2 H 1 1.78 0.05 . 1 . . . . . . . . 4263 1 1391 . 1 1 122 122 MET HE3 H 1 1.78 0.05 . 1 . . . . . . . . 4263 1 1392 . 1 1 122 122 MET C C 13 174.13 0.1 . 1 . . . . . . . . 4263 1 1393 . 1 1 122 122 MET CA C 13 51.71 0.1 . 1 . . . . . . . . 4263 1 1394 . 1 1 122 122 MET CB C 13 34.21 0.1 . 1 . . . . . . . . 4263 1 1395 . 1 1 122 122 MET CG C 13 31.69 0.1 . 1 . . . . . . . . 4263 1 1396 . 1 1 122 122 MET CE C 13 16.69 0.1 . 1 . . . . . . . . 4263 1 1397 . 1 1 122 122 MET N N 15 119.90 0.1 . 1 . . . . . . . . 4263 1 1398 . 1 1 123 123 CYS H H 1 9.18 0.05 . 1 . . . . . . . . 4263 1 1399 . 1 1 123 123 CYS HA H 1 5.52 0.05 . 1 . . . . . . . . 4263 1 1400 . 1 1 123 123 CYS HB2 H 1 2.48 0.05 . 1 . . . . . . . . 4263 1 1401 . 1 1 123 123 CYS HB3 H 1 2.48 0.05 . 1 . . . . . . . . 4263 1 1402 . 1 1 123 123 CYS C C 13 173.62 0.1 . 1 . . . . . . . . 4263 1 1403 . 1 1 123 123 CYS CA C 13 56.28 0.1 . 1 . . . . . . . . 4263 1 1404 . 1 1 123 123 CYS CB C 13 29.26 0.1 . 1 . . . . . . . . 4263 1 1405 . 1 1 123 123 CYS N N 15 123.51 0.1 . 1 . . . . . . . . 4263 1 1406 . 1 1 124 124 HIS H H 1 8.71 0.05 . 1 . . . . . . . . 4263 1 1407 . 1 1 124 124 HIS HA H 1 4.62 0.05 . 1 . . . . . . . . 4263 1 1408 . 1 1 124 124 HIS HB2 H 1 2.62 0.05 . 2 . . . . . . . . 4263 1 1409 . 1 1 124 124 HIS HB3 H 1 1.81 0.05 . 2 . . . . . . . . 4263 1 1410 . 1 1 124 124 HIS HD2 H 1 6.65 0.05 . 1 . . . . . . . . 4263 1 1411 . 1 1 124 124 HIS HE1 H 1 6.68 0.05 . 1 . . . . . . . . 4263 1 1412 . 1 1 124 124 HIS C C 13 174.32 0.1 . 1 . . . . . . . . 4263 1 1413 . 1 1 124 124 HIS CA C 13 54.92 0.1 . 1 . . . . . . . . 4263 1 1414 . 1 1 124 124 HIS CB C 13 33.26 0.1 . 1 . . . . . . . . 4263 1 1415 . 1 1 124 124 HIS N N 15 129.66 0.1 . 1 . . . . . . . . 4263 1 1416 . 1 1 125 125 GLY H H 1 7.99 0.05 . 1 . . . . . . . . 4263 1 1417 . 1 1 125 125 GLY HA2 H 1 3.12 0.05 . 2 . . . . . . . . 4263 1 1418 . 1 1 125 125 GLY HA3 H 1 4.92 0.05 . 2 . . . . . . . . 4263 1 1419 . 1 1 125 125 GLY C C 13 171.12 0.1 . 1 . . . . . . . . 4263 1 1420 . 1 1 125 125 GLY CA C 13 44.43 0.1 . 1 . . . . . . . . 4263 1 1421 . 1 1 125 125 GLY N N 15 106.12 0.1 . 1 . . . . . . . . 4263 1 1422 . 1 1 126 126 PHE H H 1 9.15 0.05 . 1 . . . . . . . . 4263 1 1423 . 1 1 126 126 PHE HA H 1 5.44 0.05 . 1 . . . . . . . . 4263 1 1424 . 1 1 126 126 PHE HB2 H 1 2.86 0.05 . 2 . . . . . . . . 4263 1 1425 . 1 1 126 126 PHE HB3 H 1 3.19 0.05 . 2 . . . . . . . . 4263 1 1426 . 1 1 126 126 PHE HD1 H 1 7.32 0.05 . 1 . . . . . . . . 4263 1 1427 . 1 1 126 126 PHE HD2 H 1 7.32 0.05 . 1 . . . . . . . . 4263 1 1428 . 1 1 126 126 PHE HE1 H 1 6.94 0.05 . 1 . . . . . . . . 4263 1 1429 . 1 1 126 126 PHE HE2 H 1 6.94 0.05 . 1 . . . . . . . . 4263 1 1430 . 1 1 126 126 PHE C C 13 174.56 0.1 . 1 . . . . . . . . 4263 1 1431 . 1 1 126 126 PHE CA C 13 56.60 0.1 . 1 . . . . . . . . 4263 1 1432 . 1 1 126 126 PHE CB C 13 43.84 0.1 . 1 . . . . . . . . 4263 1 1433 . 1 1 126 126 PHE N N 15 118.00 0.1 . 1 . . . . . . . . 4263 1 1434 . 1 1 127 127 LEU H H 1 8.90 0.05 . 1 . . . . . . . . 4263 1 1435 . 1 1 127 127 LEU HA H 1 4.96 0.05 . 1 . . . . . . . . 4263 1 1436 . 1 1 127 127 LEU HB2 H 1 1.56 0.05 . 2 . . . . . . . . 4263 1 1437 . 1 1 127 127 LEU HB3 H 1 1.35 0.05 . 2 . . . . . . . . 4263 1 1438 . 1 1 127 127 LEU HG H 1 1.54 0.05 . 1 . . . . . . . . 4263 1 1439 . 1 1 127 127 LEU HD11 H 1 0.78 0.05 . 1 . . . . . . . . 4263 1 1440 . 1 1 127 127 LEU HD12 H 1 0.78 0.05 . 1 . . . . . . . . 4263 1 1441 . 1 1 127 127 LEU HD13 H 1 0.78 0.05 . 1 . . . . . . . . 4263 1 1442 . 1 1 127 127 LEU HD21 H 1 0.55 0.05 . 1 . . . . . . . . 4263 1 1443 . 1 1 127 127 LEU HD22 H 1 0.55 0.05 . 1 . . . . . . . . 4263 1 1444 . 1 1 127 127 LEU HD23 H 1 0.55 0.05 . 1 . . . . . . . . 4263 1 1445 . 1 1 127 127 LEU C C 13 176.34 0.1 . 1 . . . . . . . . 4263 1 1446 . 1 1 127 127 LEU CA C 13 53.23 0.1 . 1 . . . . . . . . 4263 1 1447 . 1 1 127 127 LEU CB C 13 44.07 0.1 . 1 . . . . . . . . 4263 1 1448 . 1 1 127 127 LEU CG C 13 22.36 0.1 . 1 . . . . . . . . 4263 1 1449 . 1 1 127 127 LEU CD1 C 13 25.21 0.1 . 1 . . . . . . . . 4263 1 1450 . 1 1 127 127 LEU CD2 C 13 22.90 0.1 . 1 . . . . . . . . 4263 1 1451 . 1 1 127 127 LEU N N 15 119.48 0.1 . 1 . . . . . . . . 4263 1 1452 . 1 1 128 128 ALA H H 1 9.70 0.05 . 1 . . . . . . . . 4263 1 1453 . 1 1 128 128 ALA HA H 1 4.59 0.05 . 1 . . . . . . . . 4263 1 1454 . 1 1 128 128 ALA HB1 H 1 1.59 0.05 . 1 . . . . . . . . 4263 1 1455 . 1 1 128 128 ALA HB2 H 1 1.59 0.05 . 1 . . . . . . . . 4263 1 1456 . 1 1 128 128 ALA HB3 H 1 1.59 0.05 . 1 . . . . . . . . 4263 1 1457 . 1 1 128 128 ALA C C 13 177.54 0.1 . 1 . . . . . . . . 4263 1 1458 . 1 1 128 128 ALA CA C 13 52.68 0.1 . 1 . . . . . . . . 4263 1 1459 . 1 1 128 128 ALA CB C 13 18.97 0.1 . 1 . . . . . . . . 4263 1 1460 . 1 1 128 128 ALA N N 15 129.24 0.1 . 1 . . . . . . . . 4263 1 1461 . 1 1 129 129 CYS H H 1 8.26 0.05 . 1 . . . . . . . . 4263 1 1462 . 1 1 129 129 CYS HA H 1 4.25 0.05 . 1 . . . . . . . . 4263 1 1463 . 1 1 129 129 CYS HB2 H 1 3.20 0.05 . 2 . . . . . . . . 4263 1 1464 . 1 1 129 129 CYS HB3 H 1 2.64 0.05 . 2 . . . . . . . . 4263 1 1465 . 1 1 129 129 CYS C C 13 175.78 0.1 . 1 . . . . . . . . 4263 1 1466 . 1 1 129 129 CYS CA C 13 61.96 0.1 . 1 . . . . . . . . 4263 1 1467 . 1 1 129 129 CYS CB C 13 28.18 0.1 . 1 . . . . . . . . 4263 1 1468 . 1 1 129 129 CYS N N 15 119.90 0.1 . 1 . . . . . . . . 4263 1 1469 . 1 1 130 130 LYS H H 1 9.38 0.05 . 1 . . . . . . . . 4263 1 1470 . 1 1 130 130 LYS HA H 1 4.58 0.05 . 1 . . . . . . . . 4263 1 1471 . 1 1 130 130 LYS HB2 H 1 1.92 0.05 . 2 . . . . . . . . 4263 1 1472 . 1 1 130 130 LYS HB3 H 1 1.84 0.05 . 2 . . . . . . . . 4263 1 1473 . 1 1 130 130 LYS HG2 H 1 1.38 0.05 . 1 . . . . . . . . 4263 1 1474 . 1 1 130 130 LYS HG3 H 1 1.38 0.05 . 1 . . . . . . . . 4263 1 1475 . 1 1 130 130 LYS HD2 H 1 1.75 0.05 . 1 . . . . . . . . 4263 1 1476 . 1 1 130 130 LYS HD3 H 1 1.75 0.05 . 1 . . . . . . . . 4263 1 1477 . 1 1 130 130 LYS HE2 H 1 3.05 0.05 . 1 . . . . . . . . 4263 1 1478 . 1 1 130 130 LYS HE3 H 1 3.05 0.05 . 1 . . . . . . . . 4263 1 1479 . 1 1 130 130 LYS C C 13 174.16 0.1 . 1 . . . . . . . . 4263 1 1480 . 1 1 130 130 LYS CA C 13 55.62 0.1 . 1 . . . . . . . . 4263 1 1481 . 1 1 130 130 LYS CB C 13 34.71 0.1 . 1 . . . . . . . . 4263 1 1482 . 1 1 130 130 LYS CG C 13 24.22 0.1 . 1 . . . . . . . . 4263 1 1483 . 1 1 130 130 LYS CD C 13 29.00 0.1 . 1 . . . . . . . . 4263 1 1484 . 1 1 130 130 LYS CE C 13 41.93 0.1 . 1 . . . . . . . . 4263 1 1485 . 1 1 130 130 LYS N N 15 116.72 0.1 . 1 . . . . . . . . 4263 1 1486 . 1 1 131 131 ASP H H 1 7.05 0.05 . 1 . . . . . . . . 4263 1 1487 . 1 1 131 131 ASP HA H 1 5.03 0.05 . 1 . . . . . . . . 4263 1 1488 . 1 1 131 131 ASP HB2 H 1 2.42 0.05 . 2 . . . . . . . . 4263 1 1489 . 1 1 131 131 ASP HB3 H 1 2.08 0.05 . 2 . . . . . . . . 4263 1 1490 . 1 1 131 131 ASP C C 13 172.70 0.1 . 1 . . . . . . . . 4263 1 1491 . 1 1 131 131 ASP CA C 13 53.01 0.1 . 1 . . . . . . . . 4263 1 1492 . 1 1 131 131 ASP CB C 13 46.06 0.1 . 1 . . . . . . . . 4263 1 1493 . 1 1 131 131 ASP N N 15 118.63 0.1 . 1 . . . . . . . . 4263 1 1494 . 1 1 132 132 SER H H 1 8.32 0.05 . 1 . . . . . . . . 4263 1 1495 . 1 1 132 132 SER HA H 1 4.59 0.05 . 1 . . . . . . . . 4263 1 1496 . 1 1 132 132 SER HB2 H 1 4.05 0.05 . 2 . . . . . . . . 4263 1 1497 . 1 1 132 132 SER HB3 H 1 4.46 0.05 . 2 . . . . . . . . 4263 1 1498 . 1 1 132 132 SER C C 13 175.92 0.1 . 1 . . . . . . . . 4263 1 1499 . 1 1 132 132 SER CA C 13 56.49 0.1 . 1 . . . . . . . . 4263 1 1500 . 1 1 132 132 SER CB C 13 64.67 0.1 . 1 . . . . . . . . 4263 1 1501 . 1 1 132 132 SER N N 15 111.84 0.1 . 1 . . . . . . . . 4263 1 1502 . 1 1 133 133 GLY H H 1 9.42 0.05 . 1 . . . . . . . . 4263 1 1503 . 1 1 133 133 GLY HA2 H 1 3.52 0.05 . 2 . . . . . . . . 4263 1 1504 . 1 1 133 133 GLY HA3 H 1 4.29 0.05 . 2 . . . . . . . . 4263 1 1505 . 1 1 133 133 GLY C C 13 176.45 0.1 . 1 . . . . . . . . 4263 1 1506 . 1 1 133 133 GLY CA C 13 47.07 0.1 . 1 . . . . . . . . 4263 1 1507 . 1 1 133 133 GLY N N 15 110.15 0.1 . 1 . . . . . . . . 4263 1 1508 . 1 1 134 134 GLU H H 1 8.66 0.05 . 1 . . . . . . . . 4263 1 1509 . 1 1 134 134 GLU HA H 1 3.91 0.05 . 1 . . . . . . . . 4263 1 1510 . 1 1 134 134 GLU HB2 H 1 2.24 0.05 . 1 . . . . . . . . 4263 1 1511 . 1 1 134 134 GLU HB3 H 1 2.24 0.05 . 1 . . . . . . . . 4263 1 1512 . 1 1 134 134 GLU HG2 H 1 2.49 0.05 . 1 . . . . . . . . 4263 1 1513 . 1 1 134 134 GLU HG3 H 1 2.49 0.05 . 1 . . . . . . . . 4263 1 1514 . 1 1 134 134 GLU C C 13 177.41 0.1 . 1 . . . . . . . . 4263 1 1515 . 1 1 134 134 GLU CA C 13 59.54 0.1 . 1 . . . . . . . . 4263 1 1516 . 1 1 134 134 GLU CB C 13 29.33 0.1 . 1 . . . . . . . . 4263 1 1517 . 1 1 134 134 GLU CG C 13 36.72 0.1 . 1 . . . . . . . . 4263 1 1518 . 1 1 134 134 GLU N N 15 120.54 0.1 . 1 . . . . . . . . 4263 1 1519 . 1 1 135 135 ARG H H 1 7.68 0.05 . 1 . . . . . . . . 4263 1 1520 . 1 1 135 135 ARG HA H 1 3.00 0.05 . 1 . . . . . . . . 4263 1 1521 . 1 1 135 135 ARG HD2 H 1 2.99 0.05 . 1 . . . . . . . . 4263 1 1522 . 1 1 135 135 ARG HD3 H 1 2.99 0.05 . 1 . . . . . . . . 4263 1 1523 . 1 1 135 135 ARG C C 13 178.65 0.1 . 1 . . . . . . . . 4263 1 1524 . 1 1 135 135 ARG CA C 13 59.31 0.1 . 1 . . . . . . . . 4263 1 1525 . 1 1 135 135 ARG CB C 13 29.00 0.1 . 1 . . . . . . . . 4263 1 1526 . 1 1 135 135 ARG CG C 13 26.29 0.1 . 1 . . . . . . . . 4263 1 1527 . 1 1 135 135 ARG CD C 13 43.99 0.1 . 1 . . . . . . . . 4263 1 1528 . 1 1 135 135 ARG N N 15 122.03 0.1 . 1 . . . . . . . . 4263 1 1529 . 1 1 136 136 LEU H H 1 6.51 0.05 . 1 . . . . . . . . 4263 1 1530 . 1 1 136 136 LEU HA H 1 2.68 0.05 . 1 . . . . . . . . 4263 1 1531 . 1 1 136 136 LEU HB2 H 1 0.62 0.05 . 1 . . . . . . . . 4263 1 1532 . 1 1 136 136 LEU HB3 H 1 0.62 0.05 . 1 . . . . . . . . 4263 1 1533 . 1 1 136 136 LEU HG H 1 1.29 0.05 . 1 . . . . . . . . 4263 1 1534 . 1 1 136 136 LEU HD11 H 1 -0.11 0.05 . 1 . . . . . . . . 4263 1 1535 . 1 1 136 136 LEU HD12 H 1 -0.11 0.05 . 1 . . . . . . . . 4263 1 1536 . 1 1 136 136 LEU HD13 H 1 -0.11 0.05 . 1 . . . . . . . . 4263 1 1537 . 1 1 136 136 LEU HD21 H 1 0.11 0.05 . 1 . . . . . . . . 4263 1 1538 . 1 1 136 136 LEU HD22 H 1 0.11 0.05 . 1 . . . . . . . . 4263 1 1539 . 1 1 136 136 LEU HD23 H 1 0.11 0.05 . 1 . . . . . . . . 4263 1 1540 . 1 1 136 136 LEU C C 13 176.45 0.1 . 1 . . . . . . . . 4263 1 1541 . 1 1 136 136 LEU CA C 13 59.44 0.1 . 1 . . . . . . . . 4263 1 1542 . 1 1 136 136 LEU CB C 13 39.65 0.1 . 1 . . . . . . . . 4263 1 1543 . 1 1 136 136 LEU CD1 C 13 23.72 0.1 . 1 . . . . . . . . 4263 1 1544 . 1 1 136 136 LEU CD2 C 13 25.40 0.1 . 1 . . . . . . . . 4263 1 1545 . 1 1 136 136 LEU N N 15 122.45 0.1 . 1 . . . . . . . . 4263 1 1546 . 1 1 137 137 SER H H 1 7.72 0.05 . 1 . . . . . . . . 4263 1 1547 . 1 1 137 137 SER HA H 1 4.71 0.05 . 1 . . . . . . . . 4263 1 1548 . 1 1 137 137 SER HB2 H 1 4.00 0.05 . 1 . . . . . . . . 4263 1 1549 . 1 1 137 137 SER HB3 H 1 4.00 0.05 . 1 . . . . . . . . 4263 1 1550 . 1 1 137 137 SER C C 13 175.89 0.1 . 1 . . . . . . . . 4263 1 1551 . 1 1 137 137 SER CA C 13 60.83 0.1 . 1 . . . . . . . . 4263 1 1552 . 1 1 137 137 SER CB C 13 63.44 0.1 . 1 . . . . . . . . 4263 1 1553 . 1 1 137 137 SER N N 15 111.42 0.1 . 1 . . . . . . . . 4263 1 1554 . 1 1 138 138 HIS H H 1 8.07 0.05 . 1 . . . . . . . . 4263 1 1555 . 1 1 138 138 HIS HA H 1 4.05 0.05 . 1 . . . . . . . . 4263 1 1556 . 1 1 138 138 HIS HB2 H 1 2.66 0.05 . 2 . . . . . . . . 4263 1 1557 . 1 1 138 138 HIS HB3 H 1 3.29 0.05 . 2 . . . . . . . . 4263 1 1558 . 1 1 138 138 HIS HD2 H 1 7.17 0.05 . 1 . . . . . . . . 4263 1 1559 . 1 1 138 138 HIS HE1 H 1 7.17 0.05 . 1 . . . . . . . . 4263 1 1560 . 1 1 138 138 HIS C C 13 176.2 0.1 . 1 . . . . . . . . 4263 1 1561 . 1 1 138 138 HIS CA C 13 59.09 0.1 . 1 . . . . . . . . 4263 1 1562 . 1 1 138 138 HIS CB C 13 27.55 0.1 . 1 . . . . . . . . 4263 1 1563 . 1 1 138 138 HIS N N 15 115.66 0.1 . 1 . . . . . . . . 4263 1 1564 . 1 1 139 139 ALA H H 1 7.36 0.05 . 1 . . . . . . . . 4263 1 1565 . 1 1 139 139 ALA HA H 1 3.55 0.05 . 1 . . . . . . . . 4263 1 1566 . 1 1 139 139 ALA HB1 H 1 1.46 0.05 . 1 . . . . . . . . 4263 1 1567 . 1 1 139 139 ALA HB2 H 1 1.46 0.05 . 1 . . . . . . . . 4263 1 1568 . 1 1 139 139 ALA HB3 H 1 1.46 0.05 . 1 . . . . . . . . 4263 1 1569 . 1 1 139 139 ALA C C 13 178.22 0.1 . 1 . . . . . . . . 4263 1 1570 . 1 1 139 139 ALA CA C 13 55.69 0.1 . 1 . . . . . . . . 4263 1 1571 . 1 1 139 139 ALA CB C 13 17.39 0.1 . 1 . . . . . . . . 4263 1 1572 . 1 1 139 139 ALA N N 15 123.09 0.1 . 1 . . . . . . . . 4263 1 1573 . 1 1 140 140 VAL H H 1 7.74 0.05 . 1 . . . . . . . . 4263 1 1574 . 1 1 140 140 VAL HA H 1 2.98 0.05 . 1 . . . . . . . . 4263 1 1575 . 1 1 140 140 VAL HB H 1 2.14 0.05 . 1 . . . . . . . . 4263 1 1576 . 1 1 140 140 VAL HG11 H 1 0.28 0.05 . 1 . . . . . . . . 4263 1 1577 . 1 1 140 140 VAL HG12 H 1 0.28 0.05 . 1 . . . . . . . . 4263 1 1578 . 1 1 140 140 VAL HG13 H 1 0.28 0.05 . 1 . . . . . . . . 4263 1 1579 . 1 1 140 140 VAL HG21 H 1 0.66 0.05 . 1 . . . . . . . . 4263 1 1580 . 1 1 140 140 VAL HG22 H 1 0.66 0.05 . 1 . . . . . . . . 4263 1 1581 . 1 1 140 140 VAL HG23 H 1 0.66 0.05 . 1 . . . . . . . . 4263 1 1582 . 1 1 140 140 VAL C C 13 176.53 0.1 . 1 . . . . . . . . 4263 1 1583 . 1 1 140 140 VAL CA C 13 66.31 0.1 . 1 . . . . . . . . 4263 1 1584 . 1 1 140 140 VAL CB C 13 29.88 0.1 . 1 . . . . . . . . 4263 1 1585 . 1 1 140 140 VAL CG1 C 13 23.92 0.1 . 1 . . . . . . . . 4263 1 1586 . 1 1 140 140 VAL CG2 C 13 23.62 0.1 . 1 . . . . . . . . 4263 1 1587 . 1 1 140 140 VAL N N 15 119.48 0.1 . 1 . . . . . . . . 4263 1 1588 . 1 1 141 141 GLY H H 1 8.33 0.05 . 1 . . . . . . . . 4263 1 1589 . 1 1 141 141 GLY HA2 H 1 2.75 0.05 . 2 . . . . . . . . 4263 1 1590 . 1 1 141 141 GLY HA3 H 1 1.91 0.05 . 2 . . . . . . . . 4263 1 1591 . 1 1 141 141 GLY C C 13 177.43 0.1 . 1 . . . . . . . . 4263 1 1592 . 1 1 141 141 GLY CA C 13 45.73 0.1 . 1 . . . . . . . . 4263 1 1593 . 1 1 141 141 GLY N N 15 108.45 0.1 . 1 . . . . . . . . 4263 1 1594 . 1 1 142 142 CYS H H 1 7.48 0.05 . 1 . . . . . . . . 4263 1 1595 . 1 1 142 142 CYS HA H 1 3.98 0.05 . 1 . . . . . . . . 4263 1 1596 . 1 1 142 142 CYS HB2 H 1 2.58 0.05 . 2 . . . . . . . . 4263 1 1597 . 1 1 142 142 CYS HB3 H 1 3.06 0.05 . 2 . . . . . . . . 4263 1 1598 . 1 1 142 142 CYS C C 13 175.98 0.1 . 1 . . . . . . . . 4263 1 1599 . 1 1 142 142 CYS CA C 13 62.56 0.1 . 1 . . . . . . . . 4263 1 1600 . 1 1 142 142 CYS CB C 13 25.84 0.1 . 1 . . . . . . . . 4263 1 1601 . 1 1 142 142 CYS N N 15 121.39 0.1 . 1 . . . . . . . . 4263 1 1602 . 1 1 143 143 ALA H H 1 7.55 0.05 . 1 . . . . . . . . 4263 1 1603 . 1 1 143 143 ALA HA H 1 3.59 0.05 . 1 . . . . . . . . 4263 1 1604 . 1 1 143 143 ALA HB1 H 1 1.25 0.05 . 1 . . . . . . . . 4263 1 1605 . 1 1 143 143 ALA HB2 H 1 1.25 0.05 . 1 . . . . . . . . 4263 1 1606 . 1 1 143 143 ALA HB3 H 1 1.25 0.05 . 1 . . . . . . . . 4263 1 1607 . 1 1 143 143 ALA C C 13 179.51 0.1 . 1 . . . . . . . . 4263 1 1608 . 1 1 143 143 ALA CA C 13 55.54 0.1 . 1 . . . . . . . . 4263 1 1609 . 1 1 143 143 ALA CB C 13 17.37 0.1 . 1 . . . . . . . . 4263 1 1610 . 1 1 143 143 ALA N N 15 125.42 0.1 . 1 . . . . . . . . 4263 1 1611 . 1 1 144 144 PHE H H 1 8.25 0.05 . 1 . . . . . . . . 4263 1 1612 . 1 1 144 144 PHE HA H 1 4.31 0.05 . 1 . . . . . . . . 4263 1 1613 . 1 1 144 144 PHE HB2 H 1 3.60 0.05 . 2 . . . . . . . . 4263 1 1614 . 1 1 144 144 PHE HB3 H 1 3.35 0.05 . 2 . . . . . . . . 4263 1 1615 . 1 1 144 144 PHE HD1 H 1 7.04 0.05 . 1 . . . . . . . . 4263 1 1616 . 1 1 144 144 PHE HD2 H 1 7.04 0.05 . 1 . . . . . . . . 4263 1 1617 . 1 1 144 144 PHE HE1 H 1 7.05 0.05 . 1 . . . . . . . . 4263 1 1618 . 1 1 144 144 PHE HE2 H 1 7.05 0.05 . 1 . . . . . . . . 4263 1 1619 . 1 1 144 144 PHE C C 13 177.44 0.1 . 1 . . . . . . . . 4263 1 1620 . 1 1 144 144 PHE CA C 13 56.81 0.1 . 1 . . . . . . . . 4263 1 1621 . 1 1 144 144 PHE CB C 13 36.62 0.1 . 1 . . . . . . . . 4263 1 1622 . 1 1 144 144 PHE N N 15 116.51 0.1 . 1 . . . . . . . . 4263 1 1623 . 1 1 145 145 ALA H H 1 7.47 0.05 . 1 . . . . . . . . 4263 1 1624 . 1 1 145 145 ALA HA H 1 4.18 0.05 . 1 . . . . . . . . 4263 1 1625 . 1 1 145 145 ALA HB1 H 1 1.58 0.05 . 1 . . . . . . . . 4263 1 1626 . 1 1 145 145 ALA HB2 H 1 1.58 0.05 . 1 . . . . . . . . 4263 1 1627 . 1 1 145 145 ALA HB3 H 1 1.58 0.05 . 1 . . . . . . . . 4263 1 1628 . 1 1 145 145 ALA C C 13 180.50 0.1 . 1 . . . . . . . . 4263 1 1629 . 1 1 145 145 ALA CA C 13 55.07 0.1 . 1 . . . . . . . . 4263 1 1630 . 1 1 145 145 ALA CB C 13 17.49 0.1 . 1 . . . . . . . . 4263 1 1631 . 1 1 145 145 ALA N N 15 121.60 0.1 . 1 . . . . . . . . 4263 1 1632 . 1 1 146 146 VAL H H 1 8.22 0.05 . 1 . . . . . . . . 4263 1 1633 . 1 1 146 146 VAL HA H 1 3.63 0.05 . 1 . . . . . . . . 4263 1 1634 . 1 1 146 146 VAL HB H 1 2.17 0.05 . 1 . . . . . . . . 4263 1 1635 . 1 1 146 146 VAL HG11 H 1 1.01 0.05 . 1 . . . . . . . . 4263 1 1636 . 1 1 146 146 VAL HG12 H 1 1.01 0.05 . 1 . . . . . . . . 4263 1 1637 . 1 1 146 146 VAL HG13 H 1 1.01 0.05 . 1 . . . . . . . . 4263 1 1638 . 1 1 146 146 VAL HG21 H 1 1.08 0.05 . 1 . . . . . . . . 4263 1 1639 . 1 1 146 146 VAL HG22 H 1 1.08 0.05 . 1 . . . . . . . . 4263 1 1640 . 1 1 146 146 VAL HG23 H 1 1.08 0.05 . 1 . . . . . . . . 4263 1 1641 . 1 1 146 146 VAL C C 13 177.43 0.1 . 1 . . . . . . . . 4263 1 1642 . 1 1 146 146 VAL CA C 13 66.04 0.1 . 1 . . . . . . . . 4263 1 1643 . 1 1 146 146 VAL CB C 13 31.48 0.1 . 1 . . . . . . . . 4263 1 1644 . 1 1 146 146 VAL CG1 C 13 21.82 0.1 . 1 . . . . . . . . 4263 1 1645 . 1 1 146 146 VAL CG2 C 13 22.36 0.1 . 1 . . . . . . . . 4263 1 1646 . 1 1 146 146 VAL N N 15 120.54 0.1 . 1 . . . . . . . . 4263 1 1647 . 1 1 147 147 CYS H H 1 8.29 0.05 . 1 . . . . . . . . 4263 1 1648 . 1 1 147 147 CYS HA H 1 4.11 0.05 . 1 . . . . . . . . 4263 1 1649 . 1 1 147 147 CYS HB2 H 1 3.22 0.05 . 1 . . . . . . . . 4263 1 1650 . 1 1 147 147 CYS HB3 H 1 3.22 0.05 . 1 . . . . . . . . 4263 1 1651 . 1 1 147 147 CYS C C 13 177.22 0.1 . 1 . . . . . . . . 4263 1 1652 . 1 1 147 147 CYS CA C 13 62.14 0.1 . 1 . . . . . . . . 4263 1 1653 . 1 1 147 147 CYS CB C 13 26.64 0.1 . 1 . . . . . . . . 4263 1 1654 . 1 1 147 147 CYS N N 15 120.54 0.1 . 1 . . . . . . . . 4263 1 1655 . 1 1 148 148 LEU H H 1 8.23 0.05 . 1 . . . . . . . . 4263 1 1656 . 1 1 148 148 LEU HA H 1 4.11 0.05 . 1 . . . . . . . . 4263 1 1657 . 1 1 148 148 LEU HB2 H 1 1.66 0.05 . 1 . . . . . . . . 4263 1 1658 . 1 1 148 148 LEU HB3 H 1 1.66 0.05 . 1 . . . . . . . . 4263 1 1659 . 1 1 148 148 LEU HG H 1 1.81 0.05 . 1 . . . . . . . . 4263 1 1660 . 1 1 148 148 LEU HD11 H 1 0.92 0.05 . 1 . . . . . . . . 4263 1 1661 . 1 1 148 148 LEU HD12 H 1 0.92 0.05 . 1 . . . . . . . . 4263 1 1662 . 1 1 148 148 LEU HD13 H 1 0.92 0.05 . 1 . . . . . . . . 4263 1 1663 . 1 1 148 148 LEU HD21 H 1 0.92 0.05 . 1 . . . . . . . . 4263 1 1664 . 1 1 148 148 LEU HD22 H 1 0.92 0.05 . 1 . . . . . . . . 4263 1 1665 . 1 1 148 148 LEU HD23 H 1 0.92 0.05 . 1 . . . . . . . . 4263 1 1666 . 1 1 148 148 LEU C C 13 179.40 0.1 . 1 . . . . . . . . 4263 1 1667 . 1 1 148 148 LEU CA C 13 57.98 0.1 . 1 . . . . . . . . 4263 1 1668 . 1 1 148 148 LEU CB C 13 41.41 0.1 . 1 . . . . . . . . 4263 1 1669 . 1 1 148 148 LEU CD1 C 13 24.71 0.1 . 1 . . . . . . . . 4263 1 1670 . 1 1 148 148 LEU CD2 C 13 23.27 0.1 . 1 . . . . . . . . 4263 1 1671 . 1 1 148 148 LEU N N 15 119.48 0.1 . 1 . . . . . . . . 4263 1 1672 . 1 1 149 149 GLU H H 1 8.29 0.05 . 1 . . . . . . . . 4263 1 1673 . 1 1 149 149 GLU HA H 1 4.08 0.05 . 1 . . . . . . . . 4263 1 1674 . 1 1 149 149 GLU HB2 H 1 2.33 0.05 . 2 . . . . . . . . 4263 1 1675 . 1 1 149 149 GLU HB3 H 1 2.14 0.05 . 2 . . . . . . . . 4263 1 1676 . 1 1 149 149 GLU HG2 H 1 2.52 0.05 . 1 . . . . . . . . 4263 1 1677 . 1 1 149 149 GLU HG3 H 1 2.52 0.05 . 1 . . . . . . . . 4263 1 1678 . 1 1 149 149 GLU C C 13 179.24 0.1 . 1 . . . . . . . . 4263 1 1679 . 1 1 149 149 GLU CA C 13 58.99 0.1 . 1 . . . . . . . . 4263 1 1680 . 1 1 149 149 GLU CB C 13 29.33 0.1 . 1 . . . . . . . . 4263 1 1681 . 1 1 149 149 GLU CG C 13 36.02 0.1 . 1 . . . . . . . . 4263 1 1682 . 1 1 149 149 GLU N N 15 121.18 0.1 . 1 . . . . . . . . 4263 1 1683 . 1 1 150 150 ARG H H 1 8.08 0.05 . 1 . . . . . . . . 4263 1 1684 . 1 1 150 150 ARG HA H 1 4.11 0.05 . 1 . . . . . . . . 4263 1 1685 . 1 1 150 150 ARG HB2 H 1 2.02 0.05 . 1 . . . . . . . . 4263 1 1686 . 1 1 150 150 ARG HB3 H 1 2.02 0.05 . 1 . . . . . . . . 4263 1 1687 . 1 1 150 150 ARG HG2 H 1 1.71 0.05 . 1 . . . . . . . . 4263 1 1688 . 1 1 150 150 ARG HG3 H 1 1.71 0.05 . 1 . . . . . . . . 4263 1 1689 . 1 1 150 150 ARG HD2 H 1 3.16 0.05 . 1 . . . . . . . . 4263 1 1690 . 1 1 150 150 ARG HD3 H 1 3.16 0.05 . 1 . . . . . . . . 4263 1 1691 . 1 1 150 150 ARG HE H 1 7.30 0.05 . 1 . . . . . . . . 4263 1 1692 . 1 1 150 150 ARG C C 13 178.45 0.1 . 1 . . . . . . . . 4263 1 1693 . 1 1 150 150 ARG CA C 13 58.88 0.1 . 1 . . . . . . . . 4263 1 1694 . 1 1 150 150 ARG CB C 13 30.15 0.1 . 1 . . . . . . . . 4263 1 1695 . 1 1 150 150 ARG CG C 13 27.68 0.1 . 1 . . . . . . . . 4263 1 1696 . 1 1 150 150 ARG CD C 13 43.97 0.1 . 1 . . . . . . . . 4263 1 1697 . 1 1 150 150 ARG N N 15 119.06 0.1 . 1 . . . . . . . . 4263 1 1698 . 1 1 150 150 ARG NE N 15 112.96 0.1 . 1 . . . . . . . . 4263 1 1699 . 1 1 151 151 LYS H H 1 8.01 0.05 . 1 . . . . . . . . 4263 1 1700 . 1 1 151 151 LYS HA H 1 4.16 0.05 . 1 . . . . . . . . 4263 1 1701 . 1 1 151 151 LYS HB2 H 1 2.01 0.05 . 1 . . . . . . . . 4263 1 1702 . 1 1 151 151 LYS HB3 H 1 2.01 0.05 . 1 . . . . . . . . 4263 1 1703 . 1 1 151 151 LYS HG2 H 1 1.52 0.05 . 1 . . . . . . . . 4263 1 1704 . 1 1 151 151 LYS HG3 H 1 1.52 0.05 . 1 . . . . . . . . 4263 1 1705 . 1 1 151 151 LYS HD2 H 1 1.71 0.05 . 1 . . . . . . . . 4263 1 1706 . 1 1 151 151 LYS HD3 H 1 1.71 0.05 . 1 . . . . . . . . 4263 1 1707 . 1 1 151 151 LYS HE2 H 1 3.02 0.05 . 1 . . . . . . . . 4263 1 1708 . 1 1 151 151 LYS HE3 H 1 3.02 0.05 . 1 . . . . . . . . 4263 1 1709 . 1 1 151 151 LYS C C 13 178.01 0.1 . 1 . . . . . . . . 4263 1 1710 . 1 1 151 151 LYS CA C 13 58.39 0.1 . 1 . . . . . . . . 4263 1 1711 . 1 1 151 151 LYS CB C 13 32.55 0.1 . 1 . . . . . . . . 4263 1 1712 . 1 1 151 151 LYS CG C 13 25.05 0.1 . 1 . . . . . . . . 4263 1 1713 . 1 1 151 151 LYS CD C 13 29.33 0.1 . 1 . . . . . . . . 4263 1 1714 . 1 1 151 151 LYS CE C 13 41.93 0.1 . 1 . . . . . . . . 4263 1 1715 . 1 1 151 151 LYS N N 15 119.69 0.1 . 1 . . . . . . . . 4263 1 1716 . 1 1 152 152 GLN H H 1 8.06 0.05 . 1 . . . . . . . . 4263 1 1717 . 1 1 152 152 GLN HA H 1 4.21 0.05 . 1 . . . . . . . . 4263 1 1718 . 1 1 152 152 GLN HB2 H 1 2.19 0.05 . 1 . . . . . . . . 4263 1 1719 . 1 1 152 152 GLN HB3 H 1 2.19 0.05 . 1 . . . . . . . . 4263 1 1720 . 1 1 152 152 GLN HG2 H 1 2.49 0.05 . 1 . . . . . . . . 4263 1 1721 . 1 1 152 152 GLN HG3 H 1 2.49 0.05 . 1 . . . . . . . . 4263 1 1722 . 1 1 152 152 GLN HE21 H 1 7.47 0.05 . 1 . . . . . . . . 4263 1 1723 . 1 1 152 152 GLN HE22 H 1 6.88 0.05 . 1 . . . . . . . . 4263 1 1724 . 1 1 152 152 GLN C C 13 176.84 0.1 . 1 . . . . . . . . 4263 1 1725 . 1 1 152 152 GLN CA C 13 56.92 0.1 . 1 . . . . . . . . 4263 1 1726 . 1 1 152 152 GLN CB C 13 28.46 0.1 . 1 . . . . . . . . 4263 1 1727 . 1 1 152 152 GLN CG C 13 33.89 0.1 . 1 . . . . . . . . 4263 1 1728 . 1 1 152 152 GLN N N 15 118.63 0.1 . 1 . . . . . . . . 4263 1 1729 . 1 1 152 152 GLN NE2 N 15 112.04 0.1 . 1 . . . . . . . . 4263 1 1730 . 1 1 153 153 ARG H H 1 7.97 0.05 . 1 . . . . . . . . 4263 1 1731 . 1 1 153 153 ARG HA H 1 4.25 0.05 . 1 . . . . . . . . 4263 1 1732 . 1 1 153 153 ARG HB2 H 1 1.92 0.05 . 1 . . . . . . . . 4263 1 1733 . 1 1 153 153 ARG HB3 H 1 1.92 0.05 . 1 . . . . . . . . 4263 1 1734 . 1 1 153 153 ARG HG2 H 1 1.70 0.05 . 2 . . . . . . . . 4263 1 1735 . 1 1 153 153 ARG HG3 H 1 1.77 0.05 . 2 . . . . . . . . 4263 1 1736 . 1 1 153 153 ARG HD2 H 1 3.24 0.05 . 1 . . . . . . . . 4263 1 1737 . 1 1 153 153 ARG HD3 H 1 3.24 0.05 . 1 . . . . . . . . 4263 1 1738 . 1 1 153 153 ARG C C 13 176.81 0.1 . 1 . . . . . . . . 4263 1 1739 . 1 1 153 153 ARG CA C 13 57.03 0.1 . 1 . . . . . . . . 4263 1 1740 . 1 1 153 153 ARG CB C 13 30.27 0.1 . 1 . . . . . . . . 4263 1 1741 . 1 1 153 153 ARG CG C 13 27.26 0.1 . 1 . . . . . . . . 4263 1 1742 . 1 1 153 153 ARG CD C 13 43.45 0.1 . 1 . . . . . . . . 4263 1 1743 . 1 1 153 153 ARG N N 15 119.69 0.1 . 1 . . . . . . . . 4263 1 1744 . 1 1 154 154 ARG H H 1 8.07 0.05 . 1 . . . . . . . . 4263 1 1745 . 1 1 154 154 ARG HA H 1 4.37 0.05 . 1 . . . . . . . . 4263 1 1746 . 1 1 154 154 ARG HB2 H 1 1.91 0.05 . 1 . . . . . . . . 4263 1 1747 . 1 1 154 154 ARG HB3 H 1 1.91 0.05 . 1 . . . . . . . . 4263 1 1748 . 1 1 154 154 ARG HG2 H 1 1.72 0.05 . 1 . . . . . . . . 4263 1 1749 . 1 1 154 154 ARG HG3 H 1 1.72 0.05 . 1 . . . . . . . . 4263 1 1750 . 1 1 154 154 ARG HD2 H 1 3.23 0.05 . 1 . . . . . . . . 4263 1 1751 . 1 1 154 154 ARG HD3 H 1 3.23 0.05 . 1 . . . . . . . . 4263 1 1752 . 1 1 154 154 ARG HE H 1 7.17 0.05 . 1 . . . . . . . . 4263 1 1753 . 1 1 154 154 ARG C C 13 176.73 0.1 . 1 . . . . . . . . 4263 1 1754 . 1 1 154 154 ARG CA C 13 56.63 0.1 . 1 . . . . . . . . 4263 1 1755 . 1 1 154 154 ARG CB C 13 30.57 0.1 . 1 . . . . . . . . 4263 1 1756 . 1 1 154 154 ARG CG C 13 27.12 0.1 . 1 . . . . . . . . 4263 1 1757 . 1 1 154 154 ARG CD C 13 43.32 0.1 . 1 . . . . . . . . 4263 1 1758 . 1 1 154 154 ARG N N 15 120.54 0.1 . 1 . . . . . . . . 4263 1 1759 . 1 1 154 154 ARG NE N 15 112.67 0.1 . 1 . . . . . . . . 4263 1 1760 . 1 1 155 155 THR H H 1 8.05 0.05 . 1 . . . . . . . . 4263 1 1761 . 1 1 155 155 THR HA H 1 4.31 0.05 . 1 . . . . . . . . 4263 1 1762 . 1 1 155 155 THR HB H 1 4.26 0.05 . 1 . . . . . . . . 4263 1 1763 . 1 1 155 155 THR HG21 H 1 1.25 0.05 . 1 . . . . . . . . 4263 1 1764 . 1 1 155 155 THR HG22 H 1 1.25 0.05 . 1 . . . . . . . . 4263 1 1765 . 1 1 155 155 THR HG23 H 1 1.25 0.05 . 1 . . . . . . . . 4263 1 1766 . 1 1 155 155 THR C C 13 174.45 0.1 . 1 . . . . . . . . 4263 1 1767 . 1 1 155 155 THR CA C 13 62.29 0.1 . 1 . . . . . . . . 4263 1 1768 . 1 1 155 155 THR CB C 13 69.42 0.1 . 1 . . . . . . . . 4263 1 1769 . 1 1 155 155 THR CG2 C 13 21.51 0.1 . 1 . . . . . . . . 4263 1 1770 . 1 1 155 155 THR N N 15 114.81 0.1 . 1 . . . . . . . . 4263 1 1771 . 1 1 156 156 ARG H H 1 8.19 0.05 . 1 . . . . . . . . 4263 1 1772 . 1 1 156 156 ARG HA H 1 4.34 0.05 . 1 . . . . . . . . 4263 1 1773 . 1 1 156 156 ARG HB2 H 1 1.87 0.05 . 1 . . . . . . . . 4263 1 1774 . 1 1 156 156 ARG HB3 H 1 1.87 0.05 . 1 . . . . . . . . 4263 1 1775 . 1 1 156 156 ARG HG2 H 1 1.69 0.05 . 1 . . . . . . . . 4263 1 1776 . 1 1 156 156 ARG HG3 H 1 1.69 0.05 . 1 . . . . . . . . 4263 1 1777 . 1 1 156 156 ARG HD2 H 1 3.22 0.05 . 1 . . . . . . . . 4263 1 1778 . 1 1 156 156 ARG HD3 H 1 3.22 0.05 . 1 . . . . . . . . 4263 1 1779 . 1 1 156 156 ARG HE H 1 7.17 0.05 . 1 . . . . . . . . 4263 1 1780 . 1 1 156 156 ARG C C 13 175.81 0.1 . 1 . . . . . . . . 4263 1 1781 . 1 1 156 156 ARG CA C 13 56.07 0.1 . 1 . . . . . . . . 4263 1 1782 . 1 1 156 156 ARG CB C 13 30.62 0.1 . 1 . . . . . . . . 4263 1 1783 . 1 1 156 156 ARG CG C 13 26.83 0.1 . 1 . . . . . . . . 4263 1 1784 . 1 1 156 156 ARG CD C 13 43.23 0.1 . 1 . . . . . . . . 4263 1 1785 . 1 1 156 156 ARG N N 15 123.30 0.1 . 1 . . . . . . . . 4263 1 1786 . 1 1 156 156 ARG NE N 15 112.67 0.1 . 1 . . . . . . . . 4263 1 1787 . 1 1 157 157 ALA H H 1 8.22 0.05 . 1 . . . . . . . . 4263 1 1788 . 1 1 157 157 ALA HA H 1 4.30 0.05 . 1 . . . . . . . . 4263 1 1789 . 1 1 157 157 ALA HB1 H 1 1.41 0.05 . 1 . . . . . . . . 4263 1 1790 . 1 1 157 157 ALA HB2 H 1 1.41 0.05 . 1 . . . . . . . . 4263 1 1791 . 1 1 157 157 ALA HB3 H 1 1.41 0.05 . 1 . . . . . . . . 4263 1 1792 . 1 1 157 157 ALA C C 13 177.13 0.1 . 1 . . . . . . . . 4263 1 1793 . 1 1 157 157 ALA CA C 13 52.36 0.1 . 1 . . . . . . . . 4263 1 1794 . 1 1 157 157 ALA CB C 13 19.07 0.1 . 1 . . . . . . . . 4263 1 1795 . 1 1 157 157 ALA N N 15 125.42 0.1 . 1 . . . . . . . . 4263 1 1796 . 1 1 158 158 ALA H H 1 8.16 0.05 . 1 . . . . . . . . 4263 1 1797 . 1 1 158 158 ALA HA H 1 4.31 0.05 . 1 . . . . . . . . 4263 1 1798 . 1 1 158 158 ALA HB1 H 1 1.43 0.05 . 1 . . . . . . . . 4263 1 1799 . 1 1 158 158 ALA HB2 H 1 1.43 0.05 . 1 . . . . . . . . 4263 1 1800 . 1 1 158 158 ALA HB3 H 1 1.43 0.05 . 1 . . . . . . . . 4263 1 1801 . 1 1 158 158 ALA C C 13 177.01 0.1 . 1 . . . . . . . . 4263 1 1802 . 1 1 158 158 ALA CA C 13 52.03 0.1 . 1 . . . . . . . . 4263 1 1803 . 1 1 158 158 ALA CB C 13 19.20 0.1 . 1 . . . . . . . . 4263 1 1804 . 1 1 158 158 ALA N N 15 123.51 0.1 . 1 . . . . . . . . 4263 1 1805 . 1 1 159 159 ALA H H 1 8.21 0.05 . 1 . . . . . . . . 4263 1 1806 . 1 1 159 159 ALA HA H 1 4.38 0.05 . 1 . . . . . . . . 4263 1 1807 . 1 1 159 159 ALA HB1 H 1 1.42 0.05 . 1 . . . . . . . . 4263 1 1808 . 1 1 159 159 ALA HB2 H 1 1.42 0.05 . 1 . . . . . . . . 4263 1 1809 . 1 1 159 159 ALA HB3 H 1 1.42 0.05 . 1 . . . . . . . . 4263 1 1810 . 1 1 159 159 ALA C C 13 176.54 0.1 . 1 . . . . . . . . 4263 1 1811 . 1 1 159 159 ALA CA C 13 52.14 0.1 . 1 . . . . . . . . 4263 1 1812 . 1 1 159 159 ALA CB C 13 19.26 0.1 . 1 . . . . . . . . 4263 1 1813 . 1 1 159 159 ALA N N 15 123.94 0.1 . 1 . . . . . . . . 4263 1 1814 . 1 1 160 160 SER H H 1 7.85 0.05 . 1 . . . . . . . . 4263 1 1815 . 1 1 160 160 SER HA H 1 4.26 0.05 . 1 . . . . . . . . 4263 1 1816 . 1 1 160 160 SER HB2 H 1 3.86 0.05 . 1 . . . . . . . . 4263 1 1817 . 1 1 160 160 SER HB3 H 1 3.86 0.05 . 1 . . . . . . . . 4263 1 1818 . 1 1 160 160 SER CA C 13 59.64 0.1 . 1 . . . . . . . . 4263 1 1819 . 1 1 160 160 SER CB C 13 64.63 0.1 . 1 . . . . . . . . 4263 1 1820 . 1 1 160 160 SER N N 15 120.97 0.1 . 1 . . . . . . . . 4263 1 stop_ save_ save_assigned_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 4263 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_set_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4263 2 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 . 2 2 1 1 ALA H H 1 8.06 0.05 . 1 . . . . . . . . 4263 2 2 . 2 2 1 1 ALA HA H 1 4.92 0.05 . 1 . . . . . . . . 4263 2 3 . 2 2 1 1 ALA HB1 H 1 1.43 0.05 . 1 . . . . . . . . 4263 2 4 . 2 2 1 1 ALA HB2 H 1 1.43 0.05 . 1 . . . . . . . . 4263 2 5 . 2 2 1 1 ALA HB3 H 1 1.43 0.05 . 1 . . . . . . . . 4263 2 6 . 2 2 2 2 TYR H H 1 8.32 0.05 . 1 . . . . . . . . 4263 2 7 . 2 2 2 2 TYR HA H 1 5.82 0.05 . 1 . . . . . . . . 4263 2 8 . 2 2 2 2 TYR HB2 H 1 3.12 0.05 . 2 . . . . . . . . 4263 2 9 . 2 2 2 2 TYR HB3 H 1 3.04 0.05 . 2 . . . . . . . . 4263 2 10 . 2 2 2 2 TYR HD1 H 1 7.02 0.05 . 1 . . . . . . . . 4263 2 11 . 2 2 2 2 TYR HD2 H 1 7.02 0.05 . 1 . . . . . . . . 4263 2 12 . 2 2 2 2 TYR HE1 H 1 6.61 0.05 . 1 . . . . . . . . 4263 2 13 . 2 2 2 2 TYR HE2 H 1 6.61 0.05 . 1 . . . . . . . . 4263 2 14 . 2 2 2 2 TYR CD1 C 13 133.71 0.1 . 1 . . . . . . . . 4263 2 15 . 2 2 2 2 TYR CD2 C 13 133.71 0.1 . 1 . . . . . . . . 4263 2 16 . 2 2 2 2 TYR CE1 C 13 118.03 0.1 . 1 . . . . . . . . 4263 2 17 . 2 2 2 2 TYR CE2 C 13 118.03 0.1 . 1 . . . . . . . . 4263 2 18 . 2 2 2 2 TYR N N 15 117.60 0.1 . 1 . . . . . . . . 4263 2 19 . 2 2 3 3 ILE H H 1 8.42 0.05 . 1 . . . . . . . . 4263 2 20 . 2 2 3 3 ILE HA H 1 4.30 0.05 . 1 . . . . . . . . 4263 2 21 . 2 2 3 3 ILE HB H 1 1.92 0.05 . 1 . . . . . . . . 4263 2 22 . 2 2 3 3 ILE HG12 H 1 1.84 0.05 . 2 . . . . . . . . 4263 2 23 . 2 2 3 3 ILE HG13 H 1 1.39 0.05 . 2 . . . . . . . . 4263 2 24 . 2 2 3 3 ILE HG21 H 1 1.20 0.05 . 1 . . . . . . . . 4263 2 25 . 2 2 3 3 ILE HG22 H 1 1.20 0.05 . 1 . . . . . . . . 4263 2 26 . 2 2 3 3 ILE HG23 H 1 1.20 0.05 . 1 . . . . . . . . 4263 2 27 . 2 2 3 3 ILE HD11 H 1 1.03 0.05 . 1 . . . . . . . . 4263 2 28 . 2 2 3 3 ILE HD12 H 1 1.03 0.05 . 1 . . . . . . . . 4263 2 29 . 2 2 3 3 ILE HD13 H 1 1.03 0.05 . 1 . . . . . . . . 4263 2 30 . 2 2 3 3 ILE CA C 13 61.32 0.1 . 1 . . . . . . . . 4263 2 31 . 2 2 3 3 ILE CB C 13 37.83 0.1 . 1 . . . . . . . . 4263 2 32 . 2 2 3 3 ILE CG1 C 13 28.36 0.1 . 1 . . . . . . . . 4263 2 33 . 2 2 3 3 ILE CG2 C 13 18.18 0.1 . 1 . . . . . . . . 4263 2 34 . 2 2 3 3 ILE CD1 C 13 12.44 0.1 . 1 . . . . . . . . 4263 2 35 . 2 2 3 3 ILE N N 15 121.43 0.1 . 1 . . . . . . . . 4263 2 36 . 2 2 4 4 GLY H H 1 7.71 0.05 . 1 . . . . . . . . 4263 2 37 . 2 2 4 4 GLY HA2 H 1 2.73 0.05 . 2 . . . . . . . . 4263 2 38 . 2 2 4 4 GLY HA3 H 1 2.51 0.05 . 2 . . . . . . . . 4263 2 39 . 2 2 4 4 GLY N N 15 113.75 0.1 . 1 . . . . . . . . 4263 2 40 . 2 2 5 5 PRO HA H 1 4.24 0.05 . 1 . . . . . . . . 4263 2 41 . 2 2 5 5 PRO HB2 H 1 1.97 0.05 . 2 . . . . . . . . 4263 2 42 . 2 2 5 5 PRO HB3 H 1 2.22 0.05 . 2 . . . . . . . . 4263 2 43 . 2 2 5 5 PRO HG2 H 1 1.78 0.05 . 2 . . . . . . . . 4263 2 44 . 2 2 5 5 PRO HG3 H 1 2.08 0.05 . 2 . . . . . . . . 4263 2 45 . 2 2 5 5 PRO HD2 H 1 2.60 0.05 . 2 . . . . . . . . 4263 2 46 . 2 2 5 5 PRO HD3 H 1 3.48 0.05 . 2 . . . . . . . . 4263 2 47 . 2 2 5 5 PRO CA C 13 63.17 0.1 . 1 . . . . . . . . 4263 2 48 . 2 2 5 5 PRO CB C 13 32.59 0.1 . 1 . . . . . . . . 4263 2 49 . 2 2 5 5 PRO CG C 13 27.81 0.1 . 1 . . . . . . . . 4263 2 50 . 2 2 5 5 PRO CD C 13 49.99 0.1 . 1 . . . . . . . . 4263 2 51 . 2 2 6 6 PTR HD1 H 1 7.38 0.05 . 3 . . . . . . . . 4263 2 52 . 2 2 6 6 PTR HD2 H 1 7.38 0.05 . 3 . . . . . . . . 4263 2 53 . 2 2 6 6 PTR HE1 H 1 7.13 0.05 . 3 . . . . . . . . 4263 2 54 . 2 2 6 6 PTR HE2 H 1 7.13 0.05 . 3 . . . . . . . . 4263 2 55 . 2 2 7 7 LEU H H 1 7.07 0.05 . 1 . . . . . . . . 4263 2 56 . 2 2 7 7 LEU HA H 1 4.09 0.05 . 1 . . . . . . . . 4263 2 57 . 2 2 7 7 LEU HB2 H 1 1.47 0.05 . 1 . . . . . . . . 4263 2 58 . 2 2 7 7 LEU HB3 H 1 1.47 0.05 . 1 . . . . . . . . 4263 2 59 . 2 2 7 7 LEU HG H 1 1.54 0.05 . 1 . . . . . . . . 4263 2 60 . 2 2 7 7 LEU HD11 H 1 0.86 0.05 . 1 . . . . . . . . 4263 2 61 . 2 2 7 7 LEU HD12 H 1 0.86 0.05 . 1 . . . . . . . . 4263 2 62 . 2 2 7 7 LEU HD13 H 1 0.86 0.05 . 1 . . . . . . . . 4263 2 63 . 2 2 7 7 LEU HD21 H 1 0.83 0.05 . 1 . . . . . . . . 4263 2 64 . 2 2 7 7 LEU HD22 H 1 0.83 0.05 . 1 . . . . . . . . 4263 2 65 . 2 2 7 7 LEU HD23 H 1 0.83 0.05 . 1 . . . . . . . . 4263 2 66 . 2 2 7 7 LEU CA C 13 56.30 0.1 . 1 . . . . . . . . 4263 2 67 . 2 2 7 7 LEU CB C 13 43.65 0.1 . 1 . . . . . . . . 4263 2 68 . 2 2 7 7 LEU CG C 13 26.98 0.1 . 1 . . . . . . . . 4263 2 69 . 2 2 7 7 LEU CD1 C 13 25.01 0.1 . 1 . . . . . . . . 4263 2 70 . 2 2 7 7 LEU CD2 C 13 24.02 0.1 . 1 . . . . . . . . 4263 2 71 . 2 2 7 7 LEU N N 15 130.28 0.1 . 1 . . . . . . . . 4263 2 stop_ save_