data_16266 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16266 _Entry.Title ; Solution Structure of RPP29-RPP21 complex from Pyrococcus furiosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-28 _Entry.Accession_date 2009-04-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Yiren Xu . . . 16266 2 Mark Foster . P. . 16266 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16266 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 490 16266 '15N chemical shifts' 114 16266 '1H chemical shifts' 744 16266 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-11-13 2009-04-28 update BMRB 'complete entry citation' 16266 1 . . 2009-09-11 2009-04-28 original author 'original release' 16266 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16266 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19733182 _Citation.Full_citation . _Citation.Title 'Solution structure of an archaeal RNase P binary protein complex: formation of the 30-kDa complex between Pyrococcus furiosus RPP21 and RPP29 is accompanied by coupled protein folding and highlights critical features for protein-protein and protein-RNA interactions.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 393 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1043 _Citation.Page_last 1055 _Citation.Year 2009 _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 Yiren Xu . . . 16266 1 2 Carlos Amero . D. . 16266 1 3 Dileep Pulukkunat . K. . 16266 1 4 Venkat Gopalan . . . 16266 1 5 Mark Foster . P. . 16266 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 16266 1 'RNase P' 16266 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16266 _Assembly.ID 1 _Assembly.Name 'Pfu RPP29-RPP21 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 29770 _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'Subunit 1' 1 $Pfu_RPP29 A . yes native no no . . . 16266 1 2 'Subunit 2' 2 $Pfu_RPP21 B . yes native no no . . . 16266 1 3 'ZINC ION' 3 $ZN C . no native no no . . . 16266 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pfu_RPP29 _Entity.Sf_category entity _Entity.Sf_framecode Pfu_RPP29 _Entity.Entry_ID 16266 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pfu_RPP29 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MWRNSEERENRTSGRSQGSY QEIIGRTWIFRGAHRGRVNK KNIVWHELIGLKVRVVNSTH PGYVGIEGYVIDETRNMLVI AGENKVWKVPKDVCIFEFET WDGTKIKISGEKLVGRPEMR LKKRWRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-18 are not present in the solution structure ensemble.' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14953.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 15935 . Pfu_Rpp29 . . . . . 87.40 111 99.10 99.10 1.34e-71 . . . . 16266 1 2 no PDB 2KI7 . "The Solution Structure Of Rpp29-Rpp21 Complex From Pyrococcus Furiosus" . . . . . 100.00 127 100.00 100.00 1.42e-84 . . . . 16266 1 3 no GB AAL81940 . "hypothetical protein PF1816 [Pyrococcus furiosus DSM 3638]" . . . . . 100.00 127 100.00 100.00 1.42e-84 . . . . 16266 1 4 no REF WP_048059096 . "ribonuclease P [Pyrococcus furiosus]" . . . . . 77.95 99 98.99 100.00 1.51e-62 . . . . 16266 1 5 no SP Q8U007 . "RecName: Full=Ribonuclease P protein component 1; Short=RNase P component 1; AltName: Full=Rpp29" . . . . . 100.00 127 100.00 100.00 1.42e-84 . . . . 16266 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 . MET . 16266 1 2 . TRP . 16266 1 3 . ARG . 16266 1 4 . ASN . 16266 1 5 . SER . 16266 1 6 . GLU . 16266 1 7 . GLU . 16266 1 8 . ARG . 16266 1 9 . GLU . 16266 1 10 . ASN . 16266 1 11 . ARG . 16266 1 12 . THR . 16266 1 13 . SER . 16266 1 14 . GLY . 16266 1 15 . ARG . 16266 1 16 . SER . 16266 1 17 . GLN . 16266 1 18 . GLY . 16266 1 19 . SER . 16266 1 20 . TYR . 16266 1 21 . GLN . 16266 1 22 . GLU . 16266 1 23 . ILE . 16266 1 24 . ILE . 16266 1 25 . GLY . 16266 1 26 . ARG . 16266 1 27 . THR . 16266 1 28 . TRP . 16266 1 29 . ILE . 16266 1 30 . PHE . 16266 1 31 . ARG . 16266 1 32 . GLY . 16266 1 33 . ALA . 16266 1 34 . HIS . 16266 1 35 . ARG . 16266 1 36 . GLY . 16266 1 37 . ARG . 16266 1 38 . VAL . 16266 1 39 . ASN . 16266 1 40 . LYS . 16266 1 41 . LYS . 16266 1 42 . ASN . 16266 1 43 . ILE . 16266 1 44 . VAL . 16266 1 45 . TRP . 16266 1 46 . HIS . 16266 1 47 . GLU . 16266 1 48 . LEU . 16266 1 49 . ILE . 16266 1 50 . GLY . 16266 1 51 . LEU . 16266 1 52 . LYS . 16266 1 53 . VAL . 16266 1 54 . ARG . 16266 1 55 . VAL . 16266 1 56 . VAL . 16266 1 57 . ASN . 16266 1 58 . SER . 16266 1 59 . THR . 16266 1 60 . HIS . 16266 1 61 . PRO . 16266 1 62 . GLY . 16266 1 63 . TYR . 16266 1 64 . VAL . 16266 1 65 . GLY . 16266 1 66 . ILE . 16266 1 67 . GLU . 16266 1 68 . GLY . 16266 1 69 . TYR . 16266 1 70 . VAL . 16266 1 71 . ILE . 16266 1 72 . ASP . 16266 1 73 . GLU . 16266 1 74 . THR . 16266 1 75 . ARG . 16266 1 76 . ASN . 16266 1 77 . MET . 16266 1 78 . LEU . 16266 1 79 . VAL . 16266 1 80 . ILE . 16266 1 81 . ALA . 16266 1 82 . GLY . 16266 1 83 . GLU . 16266 1 84 . ASN . 16266 1 85 . LYS . 16266 1 86 . VAL . 16266 1 87 . TRP . 16266 1 88 . LYS . 16266 1 89 . VAL . 16266 1 90 . PRO . 16266 1 91 . LYS . 16266 1 92 . ASP . 16266 1 93 . VAL . 16266 1 94 . CYS . 16266 1 95 . ILE . 16266 1 96 . PHE . 16266 1 97 . GLU . 16266 1 98 . PHE . 16266 1 99 . GLU . 16266 1 100 . THR . 16266 1 101 . TRP . 16266 1 102 . ASP . 16266 1 103 . GLY . 16266 1 104 . THR . 16266 1 105 . LYS . 16266 1 106 . ILE . 16266 1 107 . LYS . 16266 1 108 . ILE . 16266 1 109 . SER . 16266 1 110 . GLY . 16266 1 111 . GLU . 16266 1 112 . LYS . 16266 1 113 . LEU . 16266 1 114 . VAL . 16266 1 115 . GLY . 16266 1 116 . ARG . 16266 1 117 . PRO . 16266 1 118 . GLU . 16266 1 119 . MET . 16266 1 120 . ARG . 16266 1 121 . LEU . 16266 1 122 . LYS . 16266 1 123 . LYS . 16266 1 124 . ARG . 16266 1 125 . TRP . 16266 1 126 . ARG . 16266 1 127 . LYS . 16266 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 . MET 1 1 16266 1 . TRP 2 2 16266 1 . ARG 3 3 16266 1 . ASN 4 4 16266 1 . SER 5 5 16266 1 . GLU 6 6 16266 1 . GLU 7 7 16266 1 . ARG 8 8 16266 1 . GLU 9 9 16266 1 . ASN 10 10 16266 1 . ARG 11 11 16266 1 . THR 12 12 16266 1 . SER 13 13 16266 1 . GLY 14 14 16266 1 . ARG 15 15 16266 1 . SER 16 16 16266 1 . GLN 17 17 16266 1 . GLY 18 18 16266 1 . SER 19 19 16266 1 . TYR 20 20 16266 1 . GLN 21 21 16266 1 . GLU 22 22 16266 1 . ILE 23 23 16266 1 . ILE 24 24 16266 1 . GLY 25 25 16266 1 . ARG 26 26 16266 1 . THR 27 27 16266 1 . TRP 28 28 16266 1 . ILE 29 29 16266 1 . PHE 30 30 16266 1 . ARG 31 31 16266 1 . GLY 32 32 16266 1 . ALA 33 33 16266 1 . HIS 34 34 16266 1 . ARG 35 35 16266 1 . GLY 36 36 16266 1 . ARG 37 37 16266 1 . VAL 38 38 16266 1 . ASN 39 39 16266 1 . LYS 40 40 16266 1 . LYS 41 41 16266 1 . ASN 42 42 16266 1 . ILE 43 43 16266 1 . VAL 44 44 16266 1 . TRP 45 45 16266 1 . HIS 46 46 16266 1 . GLU 47 47 16266 1 . LEU 48 48 16266 1 . ILE 49 49 16266 1 . GLY 50 50 16266 1 . LEU 51 51 16266 1 . LYS 52 52 16266 1 . VAL 53 53 16266 1 . ARG 54 54 16266 1 . VAL 55 55 16266 1 . VAL 56 56 16266 1 . ASN 57 57 16266 1 . SER 58 58 16266 1 . THR 59 59 16266 1 . HIS 60 60 16266 1 . PRO 61 61 16266 1 . GLY 62 62 16266 1 . TYR 63 63 16266 1 . VAL 64 64 16266 1 . GLY 65 65 16266 1 . ILE 66 66 16266 1 . GLU 67 67 16266 1 . GLY 68 68 16266 1 . TYR 69 69 16266 1 . VAL 70 70 16266 1 . ILE 71 71 16266 1 . ASP 72 72 16266 1 . GLU 73 73 16266 1 . THR 74 74 16266 1 . ARG 75 75 16266 1 . ASN 76 76 16266 1 . MET 77 77 16266 1 . LEU 78 78 16266 1 . VAL 79 79 16266 1 . ILE 80 80 16266 1 . ALA 81 81 16266 1 . GLY 82 82 16266 1 . GLU 83 83 16266 1 . ASN 84 84 16266 1 . LYS 85 85 16266 1 . VAL 86 86 16266 1 . TRP 87 87 16266 1 . LYS 88 88 16266 1 . VAL 89 89 16266 1 . PRO 90 90 16266 1 . LYS 91 91 16266 1 . ASP 92 92 16266 1 . VAL 93 93 16266 1 . CYS 94 94 16266 1 . ILE 95 95 16266 1 . PHE 96 96 16266 1 . GLU 97 97 16266 1 . PHE 98 98 16266 1 . GLU 99 99 16266 1 . THR 100 100 16266 1 . TRP 101 101 16266 1 . ASP 102 102 16266 1 . GLY 103 103 16266 1 . THR 104 104 16266 1 . LYS 105 105 16266 1 . ILE 106 106 16266 1 . LYS 107 107 16266 1 . ILE 108 108 16266 1 . SER 109 109 16266 1 . GLY 110 110 16266 1 . GLU 111 111 16266 1 . LYS 112 112 16266 1 . LEU 113 113 16266 1 . VAL 114 114 16266 1 . GLY 115 115 16266 1 . ARG 116 116 16266 1 . PRO 117 117 16266 1 . GLU 118 118 16266 1 . MET 119 119 16266 1 . ARG 120 120 16266 1 . LEU 121 121 16266 1 . LYS 122 122 16266 1 . LYS 123 123 16266 1 . ARG 124 124 16266 1 . TRP 125 125 16266 1 . ARG 126 126 16266 1 . LYS 127 127 16266 1 stop_ save_ save_Pfu_RPP21 _Entity.Sf_category entity _Entity.Sf_framecode Pfu_RPP21 _Entity.Entry_ID 16266 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Pfu_RPP21 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAKYNEKKEKKRIAKERIDI LFSLAERVFPYSPELAKRYV ELALLVQQKAKVKIPRKWKR RYCKKCHAFLVPGINARVRL RQKRMPHIVVKCLECGHIMR YPYIKEIKKRRIEKMEYGGL VPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-8 and 106-123 are not present in the solution structure ensemble. Last six residues are leftover after cleavage of His-tag. ; _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14751.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 15776 . Rpp21 . . . . . 100.00 123 99.19 99.19 7.05e-79 . . . . 16266 2 2 no BMRB 15935 . Pfu_Rpp21 . . . . . 99.19 122 99.18 99.18 4.98e-78 . . . . 16266 2 3 no PDB 2K3R . "Pfu Rpp21 Structure And Assignments" . . . . . 100.00 123 99.19 99.19 7.05e-79 . . . . 16266 2 4 no PDB 2KI7 . "The Solution Structure Of Rpp29-Rpp21 Complex From Pyrococcus Furiosus" . . . . . 100.00 123 99.19 99.19 7.05e-79 . . . . 16266 2 5 no GB AAL81737 . "hypothetical protein PF1613 [Pyrococcus furiosus DSM 3638]" . . . . . 95.12 117 99.15 99.15 6.28e-74 . . . . 16266 2 6 no GB AFN05027 . "ribonuclease P protein component 4 [Pyrococcus furiosus COM1]" . . . . . 95.12 117 99.15 99.15 6.28e-74 . . . . 16266 2 7 no REF NP_579342 . "ribonuclease P protein component 4 [Pyrococcus furiosus DSM 3638]" . . . . . 95.12 117 99.15 99.15 6.28e-74 . . . . 16266 2 8 no REF WP_011012760 . "ribonuclease P [Pyrococcus furiosus]" . . . . . 95.12 117 99.15 99.15 6.28e-74 . . . . 16266 2 9 no REF YP_006493319 . "ribonuclease P protein component 4 [Pyrococcus furiosus COM1]" . . . . . 95.12 117 99.15 99.15 6.28e-74 . . . . 16266 2 10 no SP Q8U0H6 . "RecName: Full=Ribonuclease P protein component 4; Short=RNase P component 4; AltName: Full=Rpp21 [Pyrococcus furiosus DSM 3638]" . . . . . 95.12 117 99.15 99.15 6.28e-74 . . . . 16266 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 . MET . 16266 2 2 . ALA . 16266 2 3 . LYS . 16266 2 4 . TYR . 16266 2 5 . ASN . 16266 2 6 . GLU . 16266 2 7 . LYS . 16266 2 8 . LYS . 16266 2 9 . GLU . 16266 2 10 . LYS . 16266 2 11 . LYS . 16266 2 12 . ARG . 16266 2 13 . ILE . 16266 2 14 . ALA . 16266 2 15 . LYS . 16266 2 16 . GLU . 16266 2 17 . ARG . 16266 2 18 . ILE . 16266 2 19 . ASP . 16266 2 20 . ILE . 16266 2 21 . LEU . 16266 2 22 . PHE . 16266 2 23 . SER . 16266 2 24 . LEU . 16266 2 25 . ALA . 16266 2 26 . GLU . 16266 2 27 . ARG . 16266 2 28 . VAL . 16266 2 29 . PHE . 16266 2 30 . PRO . 16266 2 31 . TYR . 16266 2 32 . SER . 16266 2 33 . PRO . 16266 2 34 . GLU . 16266 2 35 . LEU . 16266 2 36 . ALA . 16266 2 37 . LYS . 16266 2 38 . ARG . 16266 2 39 . TYR . 16266 2 40 . VAL . 16266 2 41 . GLU . 16266 2 42 . LEU . 16266 2 43 . ALA . 16266 2 44 . LEU . 16266 2 45 . LEU . 16266 2 46 . VAL . 16266 2 47 . GLN . 16266 2 48 . GLN . 16266 2 49 . LYS . 16266 2 50 . ALA . 16266 2 51 . LYS . 16266 2 52 . VAL . 16266 2 53 . LYS . 16266 2 54 . ILE . 16266 2 55 . PRO . 16266 2 56 . ARG . 16266 2 57 . LYS . 16266 2 58 . TRP . 16266 2 59 . LYS . 16266 2 60 . ARG . 16266 2 61 . ARG . 16266 2 62 . TYR . 16266 2 63 . CYS . 16266 2 64 . LYS . 16266 2 65 . LYS . 16266 2 66 . CYS . 16266 2 67 . HIS . 16266 2 68 . ALA . 16266 2 69 . PHE . 16266 2 70 . LEU . 16266 2 71 . VAL . 16266 2 72 . PRO . 16266 2 73 . GLY . 16266 2 74 . ILE . 16266 2 75 . ASN . 16266 2 76 . ALA . 16266 2 77 . ARG . 16266 2 78 . VAL . 16266 2 79 . ARG . 16266 2 80 . LEU . 16266 2 81 . ARG . 16266 2 82 . GLN . 16266 2 83 . LYS . 16266 2 84 . ARG . 16266 2 85 . MET . 16266 2 86 . PRO . 16266 2 87 . HIS . 16266 2 88 . ILE . 16266 2 89 . VAL . 16266 2 90 . VAL . 16266 2 91 . LYS . 16266 2 92 . CYS . 16266 2 93 . LEU . 16266 2 94 . GLU . 16266 2 95 . CYS . 16266 2 96 . GLY . 16266 2 97 . HIS . 16266 2 98 . ILE . 16266 2 99 . MET . 16266 2 100 . ARG . 16266 2 101 . TYR . 16266 2 102 . PRO . 16266 2 103 . TYR . 16266 2 104 . ILE . 16266 2 105 . LYS . 16266 2 106 . GLU . 16266 2 107 . ILE . 16266 2 108 . LYS . 16266 2 109 . LYS . 16266 2 110 . ARG . 16266 2 111 . ARG . 16266 2 112 . ILE . 16266 2 113 . GLU . 16266 2 114 . LYS . 16266 2 115 . MET . 16266 2 116 . GLU . 16266 2 117 . TYR . 16266 2 118 . GLY . 16266 2 119 . GLY . 16266 2 120 . LEU . 16266 2 121 . VAL . 16266 2 122 . PRO . 16266 2 123 . ARG . 16266 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 . MET 1 1 16266 2 . ALA 2 2 16266 2 . LYS 3 3 16266 2 . TYR 4 4 16266 2 . ASN 5 5 16266 2 . GLU 6 6 16266 2 . LYS 7 7 16266 2 . LYS 8 8 16266 2 . GLU 9 9 16266 2 . LYS 10 10 16266 2 . LYS 11 11 16266 2 . ARG 12 12 16266 2 . ILE 13 13 16266 2 . ALA 14 14 16266 2 . LYS 15 15 16266 2 . GLU 16 16 16266 2 . ARG 17 17 16266 2 . ILE 18 18 16266 2 . ASP 19 19 16266 2 . ILE 20 20 16266 2 . LEU 21 21 16266 2 . PHE 22 22 16266 2 . SER 23 23 16266 2 . LEU 24 24 16266 2 . ALA 25 25 16266 2 . GLU 26 26 16266 2 . ARG 27 27 16266 2 . VAL 28 28 16266 2 . PHE 29 29 16266 2 . PRO 30 30 16266 2 . TYR 31 31 16266 2 . SER 32 32 16266 2 . PRO 33 33 16266 2 . GLU 34 34 16266 2 . LEU 35 35 16266 2 . ALA 36 36 16266 2 . LYS 37 37 16266 2 . ARG 38 38 16266 2 . TYR 39 39 16266 2 . VAL 40 40 16266 2 . GLU 41 41 16266 2 . LEU 42 42 16266 2 . ALA 43 43 16266 2 . LEU 44 44 16266 2 . LEU 45 45 16266 2 . VAL 46 46 16266 2 . GLN 47 47 16266 2 . GLN 48 48 16266 2 . LYS 49 49 16266 2 . ALA 50 50 16266 2 . LYS 51 51 16266 2 . VAL 52 52 16266 2 . LYS 53 53 16266 2 . ILE 54 54 16266 2 . PRO 55 55 16266 2 . ARG 56 56 16266 2 . LYS 57 57 16266 2 . TRP 58 58 16266 2 . LYS 59 59 16266 2 . ARG 60 60 16266 2 . ARG 61 61 16266 2 . TYR 62 62 16266 2 . CYS 63 63 16266 2 . LYS 64 64 16266 2 . LYS 65 65 16266 2 . CYS 66 66 16266 2 . HIS 67 67 16266 2 . ALA 68 68 16266 2 . PHE 69 69 16266 2 . LEU 70 70 16266 2 . VAL 71 71 16266 2 . PRO 72 72 16266 2 . GLY 73 73 16266 2 . ILE 74 74 16266 2 . ASN 75 75 16266 2 . ALA 76 76 16266 2 . ARG 77 77 16266 2 . VAL 78 78 16266 2 . ARG 79 79 16266 2 . LEU 80 80 16266 2 . ARG 81 81 16266 2 . GLN 82 82 16266 2 . LYS 83 83 16266 2 . ARG 84 84 16266 2 . MET 85 85 16266 2 . PRO 86 86 16266 2 . HIS 87 87 16266 2 . ILE 88 88 16266 2 . VAL 89 89 16266 2 . VAL 90 90 16266 2 . LYS 91 91 16266 2 . CYS 92 92 16266 2 . LEU 93 93 16266 2 . GLU 94 94 16266 2 . CYS 95 95 16266 2 . GLY 96 96 16266 2 . HIS 97 97 16266 2 . ILE 98 98 16266 2 . MET 99 99 16266 2 . ARG 100 100 16266 2 . TYR 101 101 16266 2 . PRO 102 102 16266 2 . TYR 103 103 16266 2 . ILE 104 104 16266 2 . LYS 105 105 16266 2 . GLU 106 106 16266 2 . ILE 107 107 16266 2 . LYS 108 108 16266 2 . LYS 109 109 16266 2 . ARG 110 110 16266 2 . ARG 111 111 16266 2 . ILE 112 112 16266 2 . GLU 113 113 16266 2 . LYS 114 114 16266 2 . MET 115 115 16266 2 . GLU 116 116 16266 2 . TYR 117 117 16266 2 . GLY 118 118 16266 2 . GLY 119 119 16266 2 . LEU 120 120 16266 2 . VAL 121 121 16266 2 . PRO 122 122 16266 2 . ARG 123 123 16266 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 16266 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _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_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 . ZN . 16266 3 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 16266 _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 $Pfu_RPP29 . 2261 organism . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Eukaryota . Pyrococcus furiosus DSM3638 . . . . . . . . . . . . . . . . . . . . 16266 1 2 2 $Pfu_RPP21 . 2261 organism . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Eukaryota . Pyrococcus furiosus DSM3638 . . . . . . . . . . . . . . . . . . . . 16266 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 16266 _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 $Pfu_RPP29 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3Rosetta . . . . . . . . . . . . . . . pET33b . . . . . . 16266 1 2 2 $Pfu_RPP21 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3Rosetta . . . . . . . . . . . . . . . pET33b . . . . . . 16266 1 3 3 $ZN . 'obtained from a vendor' 'Escherichia coli' . . . Escherichia coli BL21DE3Rosetta . . . . . . . . . . . . . . . . . . . . . . 16266 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 16266 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-15 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _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 . _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 . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 Tue Nov 18 21:04:59 2008 ; _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 InChI=1/Zn/q+2 InChI InChI 1.02b 16266 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 16266 ZN [Zn++] SMILES CACTVS 3.341 16266 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 16266 ZN [Zn+2] SMILES ACDLabs 10.04 16266 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 16266 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16266 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 16266 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16266 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 16266 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16266 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'Pfu RPP29' '[U-100% 13C; U-100% 15N]' . . 1 $Pfu_RPP29 . . 1.25 . . mM . . . . 16266 1 2 'Pfu RPP21' 'natural abundance' . . 2 $Pfu_RPP21 . . 1.5 . . mM . . . . 16266 1 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16266 1 4 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16266 1 5 'Zinc chloride' 'natural abundance' . . 3 $ZN . . 0.3 . . mM . . . . 16266 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16266 1 7 D2O '[U-99.8% 2H]' . . . . . . 10 . . % . . . . 16266 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16266 1 9 DSS 'natural abundance' . . . . . . 3 . . mM . . . . 16266 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16266 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'Pfu RPP29' '[U-100% 13C; U-100% 15N]' . . 1 $Pfu_RPP29 . . 1.25 . . mM . . . . 16266 2 2 'Pfu RPP21' 'natural abundance' . . 2 $Pfu_RPP21 . . 1.5 . . mM . . . . 16266 2 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16266 2 4 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16266 2 5 'Zinc chloride' 'natural abundance' . . 3 $ZN . . 0.3 . . % . . . . 16266 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16266 2 7 D2O '[U-99.8% 2H]' . . . . . . 100 . . % . . . . 16266 2 8 DSS 'natural abundance' . . . . . . 3 . . mM . . . . 16266 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16266 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'Pfu RPP21' '[U-100% 13C; U-100% 15N]' . . 1 $Pfu_RPP29 . . 1 . . mM . . . . 16266 3 2 'Pfu RPP29' 'natural abundance' . . 2 $Pfu_RPP21 . . 1.2 . . mM . . . . 16266 3 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16266 3 4 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16266 3 5 'Zinc chloride' 'natural abundance' . . 3 $ZN . . 0.3 . . mM . . . . 16266 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16266 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16266 3 8 D2O '[U-99.8% 2H]' . . . . . . 10 . . % . . . . 16266 3 9 DSS 'natural abundance' . . . . . . 3 . . mM . . . . 16266 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16266 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'Pfu RPP21' '[U-100% 13C; U-100% 15N]' . . 1 $Pfu_RPP29 . . 1 . . mM . . . . 16266 4 2 'Pfu RPP29' 'natural abundance' . . 2 $Pfu_RPP21 . . 1.2 . . mM . . . . 16266 4 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16266 4 4 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16266 4 5 'Zinc chloride' 'natural abundance' . . 3 $ZN . . 0.3 . . mM . . . . 16266 4 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16266 4 7 D2O '[U-99.8% 2H]' . . . . . . 100 . . % . . . . 16266 4 8 DSS 'natural abundance' . . . . . . 3 . . mM . . . . 16266 4 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 16266 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'For sample_1 and sample_3' 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' 0.047 . M 16266 1 pH 5.8 . pH 16266 1 pressure 1 . atm 16266 1 temperature 328 . K 16266 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16266 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'For sample_2 and sample_4' 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' 0.047 . M 16266 2 pH 6.21 . pH 16266 2 pressure 1 . atm 16266 2 temperature 328 . K 16266 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16266 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16266 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 16266 1 processing 16266 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16266 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16266 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16266 2 'peak picking' 16266 2 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16266 _Software.ID 3 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16266 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16266 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16266 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details 'Computer Aided Resonance Assignments' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller R., Wuthrich K.' ETH http://www.nmr.ch/ 16266 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16266 4 'data analysis' 16266 4 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 16266 _Software.ID 5 _Software.Name SANE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 16266 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16266 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16266 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16266 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16266 6 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16266 _Software.ID 7 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16266 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16266 7 refinement 16266 7 'structure solution' 16266 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16266 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16266 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16266 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 'with cryo probe' . . 16266 1 2 spectrometer_2 Bruker DRX . 800 'with cryo probe' . . 16266 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 16266 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 6 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 8 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 11 '3D C(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 12 '3D C(CO)NH TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 13 '3D H(C)(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 14 '3D H(C)(CO)NH TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16266 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16266 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16266 1 17 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16266 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16266 1 19 '3D 13C-filtered/edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16266 1 20 '3D 13C-filtered/edited NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16266 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 16266 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144952 . . . . . . . . . 16266 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16266 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132905 . . . . . . . . . 16266 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_complex_ppm _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode complex_ppm _Assigned_chem_shift_list.Entry_ID 16266 _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 $DSS _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 '2D 1H-15N HSQC' . . . 16266 1 2 '2D 1H-15N HSQC' . . . 16266 1 5 '3D HNCO' . . . 16266 1 6 '3D HNCO' . . . 16266 1 7 '3D HNCACB' . . . 16266 1 8 '3D HNCACB' . . . 16266 1 9 '3D CBCA(CO)NH' . . . 16266 1 10 '3D CBCA(CO)NH' . . . 16266 1 11 '3D C(CO)NH TOCSY' . . . 16266 1 12 '3D C(CO)NH TOCSY' . . . 16266 1 13 '3D H(C)(CO)NH TOCSY' . . . 16266 1 14 '3D H(C)(CO)NH TOCSY' . . . 16266 1 15 '3D 1H-15N NOESY' . . . 16266 1 16 '3D 1H-15N NOESY' . . . 16266 1 17 '3D 1H-13C NOESY' . . . 16266 1 18 '3D 1H-13C NOESY' . . . 16266 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRDraw . . 16266 1 2 $NMRView . . 16266 1 4 $CARA . . 16266 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 2 2 TRP HA H 1 4.754 0.02 . 1 . . . . 2 W HA . 16266 1 2 . 1 1 2 2 TRP HB2 H 1 3.370 0.02 . 2 . . . . 2 W HB1 . 16266 1 3 . 1 1 2 2 TRP HB3 H 1 3.292 0.02 . 2 . . . . 2 W HB2 . 16266 1 4 . 1 1 2 2 TRP HD1 H 1 7.171 0.02 . 1 . . . . 2 W HD1 . 16266 1 5 . 1 1 2 2 TRP HE3 H 1 7.298 0.02 . 1 . . . . 2 W HE3 . 16266 1 6 . 1 1 2 2 TRP C C 13 175.646 0.3 . 1 . . . . 2 W C . 16266 1 7 . 1 1 2 2 TRP CA C 13 57.661 0.3 . 1 . . . . 2 W CA . 16266 1 8 . 1 1 2 2 TRP CB C 13 29.918 0.3 . 1 . . . . 2 W CB . 16266 1 9 . 1 1 3 3 ARG H H 1 8.124 0.02 . 1 . . . . 3 R HN . 16266 1 10 . 1 1 3 3 ARG HA H 1 4.223 0.02 . 1 . . . . 3 R HA . 16266 1 11 . 1 1 3 3 ARG C C 13 175.470 0.3 . 1 . . . . 3 R C . 16266 1 12 . 1 1 3 3 ARG CA C 13 55.998 0.3 . 1 . . . . 3 R CA . 16266 1 13 . 1 1 3 3 ARG CB C 13 31.159 0.3 . 1 . . . . 3 R CB . 16266 1 14 . 1 1 3 3 ARG CD C 13 43.744 0.3 . 1 . . . . 3 R CD . 16266 1 15 . 1 1 3 3 ARG CG C 13 27.276 0.3 . 1 . . . . 3 R CG . 16266 1 16 . 1 1 3 3 ARG N N 15 123.446 0.3 . 1 . . . . 3 R N . 16266 1 17 . 1 1 4 4 ASN H H 1 8.229 0.02 . 1 . . . . 4 N HN . 16266 1 18 . 1 1 4 4 ASN C C 13 172.119 0.3 . 1 . . . . 4 N C . 16266 1 19 . 1 1 4 4 ASN CA C 13 57.055 0.3 . 1 . . . . 4 N CA . 16266 1 20 . 1 1 4 4 ASN CB C 13 39.293 0.3 . 1 . . . . 4 N CB . 16266 1 21 . 1 1 4 4 ASN N N 15 120.055 0.3 . 1 . . . . 4 N N . 16266 1 22 . 1 1 5 5 SER HA H 1 4.437 0.02 . 1 . . . . 5 S HA . 16266 1 23 . 1 1 5 5 SER HB2 H 1 3.915 0.02 . 2 . . . . 5 S HB1 . 16266 1 24 . 1 1 5 5 SER HB3 H 1 3.838 0.02 . 2 . . . . 5 S HB2 . 16266 1 25 . 1 1 5 5 SER C C 13 174.694 0.3 . 1 . . . . 5 S C . 16266 1 26 . 1 1 5 5 SER CA C 13 59.069 0.3 . 1 . . . . 5 S CA . 16266 1 27 . 1 1 5 5 SER CB C 13 63.603 0.3 . 1 . . . . 5 S CB . 16266 1 28 . 1 1 6 6 GLU H H 1 8.371 0.02 . 1 . . . . 6 E HN . 16266 1 29 . 1 1 6 6 GLU HA H 1 4.277 0.02 . 1 . . . . 6 E HA . 16266 1 30 . 1 1 6 6 GLU HB2 H 1 2.072 0.02 . 2 . . . . 6 E HB1 . 16266 1 31 . 1 1 6 6 GLU HB3 H 1 1.952 0.02 . 2 . . . . 6 E HB2 . 16266 1 32 . 1 1 6 6 GLU HG2 H 1 2.239 0.02 . 2 . . . . 6 E HG1 . 16266 1 33 . 1 1 6 6 GLU C C 13 176.711 0.3 . 1 . . . . 6 E C . 16266 1 34 . 1 1 6 6 GLU CA C 13 57.022 0.3 . 1 . . . . 6 E CA . 16266 1 35 . 1 1 6 6 GLU CB C 13 30.070 0.3 . 1 . . . . 6 E CB . 16266 1 36 . 1 1 6 6 GLU CG C 13 36.295 0.3 . 1 . . . . 6 E CG . 16266 1 37 . 1 1 6 6 GLU N N 15 122.733 0.3 . 1 . . . . 6 E N . 16266 1 38 . 1 1 7 7 GLU H H 1 8.224 0.02 . 1 . . . . 7 E HN . 16266 1 39 . 1 1 7 7 GLU HA H 1 4.326 0.02 . 1 . . . . 7 E HA . 16266 1 40 . 1 1 7 7 GLU HB2 H 1 2.059 0.02 . 2 . . . . 7 E HB1 . 16266 1 41 . 1 1 7 7 GLU HB3 H 1 1.952 0.02 . 2 . . . . 7 E HB2 . 16266 1 42 . 1 1 7 7 GLU HG2 H 1 2.254 0.02 . 2 . . . . 7 E HG1 . 16266 1 43 . 1 1 7 7 GLU C C 13 176.711 0.3 . 1 . . . . 7 E C . 16266 1 44 . 1 1 7 7 GLU CA C 13 57.055 0.3 . 1 . . . . 7 E CA . 16266 1 45 . 1 1 7 7 GLU CB C 13 30.065 0.3 . 1 . . . . 7 E CB . 16266 1 46 . 1 1 7 7 GLU CG C 13 36.318 0.3 . 1 . . . . 7 E CG . 16266 1 47 . 1 1 7 7 GLU N N 15 121.662 0.3 . 1 . . . . 7 E N . 16266 1 48 . 1 1 8 8 ARG H H 1 8.136 0.02 . 1 . . . . 8 R HN . 16266 1 49 . 1 1 8 8 ARG HA H 1 4.248 0.02 . 1 . . . . 8 R HA . 16266 1 50 . 1 1 8 8 ARG HB2 H 1 1.842 0.02 . 2 . . . . 8 R HB1 . 16266 1 51 . 1 1 8 8 ARG HB3 H 1 1.752 0.02 . 2 . . . . 8 R HB2 . 16266 1 52 . 1 1 8 8 ARG HD2 H 1 3.156 0.02 . 2 . . . . 8 R HD1 . 16266 1 53 . 1 1 8 8 ARG HG2 H 1 1.577 0.02 . 2 . . . . 8 R HG1 . 16266 1 54 . 1 1 8 8 ARG C C 13 176.455 0.3 . 1 . . . . 8 R C . 16266 1 55 . 1 1 8 8 ARG CA C 13 56.544 0.3 . 1 . . . . 8 R CA . 16266 1 56 . 1 1 8 8 ARG CB C 13 30.614 0.3 . 1 . . . . 8 R CB . 16266 1 57 . 1 1 8 8 ARG CD C 13 43.744 0.3 . 1 . . . . 8 R CD . 16266 1 58 . 1 1 8 8 ARG CG C 13 27.091 0.3 . 1 . . . . 8 R CG . 16266 1 59 . 1 1 8 8 ARG N N 15 121.513 0.3 . 1 . . . . 8 R N . 16266 1 60 . 1 1 9 9 GLU H H 1 8.284 0.02 . 1 . . . . 9 E HN . 16266 1 61 . 1 1 9 9 GLU HA H 1 4.253 0.02 . 1 . . . . 9 E HA . 16266 1 62 . 1 1 9 9 GLU HB2 H 1 2.020 0.02 . 2 . . . . 9 E HB1 . 16266 1 63 . 1 1 9 9 GLU HB3 H 1 1.956 0.02 . 2 . . . . 9 E HB2 . 16266 1 64 . 1 1 9 9 GLU HG2 H 1 2.238 0.02 . 2 . . . . 9 E HG1 . 16266 1 65 . 1 1 9 9 GLU C C 13 176.283 0.3 . 1 . . . . 9 E C . 16266 1 66 . 1 1 9 9 GLU CA C 13 56.954 0.3 . 1 . . . . 9 E CA . 16266 1 67 . 1 1 9 9 GLU CB C 13 30.345 0.3 . 1 . . . . 9 E CB . 16266 1 68 . 1 1 9 9 GLU CG C 13 36.463 0.3 . 1 . . . . 9 E CG . 16266 1 69 . 1 1 9 9 GLU N N 15 121.224 0.3 . 1 . . . . 9 E N . 16266 1 70 . 1 1 10 10 ASN H H 1 8.346 0.02 . 1 . . . . 10 N HN . 16266 1 71 . 1 1 10 10 ASN HA H 1 4.770 0.02 . 1 . . . . 10 N HA . 16266 1 72 . 1 1 10 10 ASN HB2 H 1 2.909 0.02 . 2 . . . . 10 N HB1 . 16266 1 73 . 1 1 10 10 ASN HB3 H 1 2.834 0.02 . 2 . . . . 10 N HB2 . 16266 1 74 . 1 1 10 10 ASN C C 13 175.340 0.3 . 1 . . . . 10 N C . 16266 1 75 . 1 1 10 10 ASN CA C 13 53.358 0.3 . 1 . . . . 10 N CA . 16266 1 76 . 1 1 10 10 ASN CB C 13 38.818 0.3 . 1 . . . . 10 N CB . 16266 1 77 . 1 1 10 10 ASN N N 15 120.166 0.3 . 1 . . . . 10 N N . 16266 1 78 . 1 1 11 11 ARG H H 1 8.321 0.02 . 1 . . . . 11 R HN . 16266 1 79 . 1 1 11 11 ARG HA H 1 4.464 0.02 . 1 . . . . 11 R HA . 16266 1 80 . 1 1 11 11 ARG HB2 H 1 1.988 0.02 . 2 . . . . 11 R HB1 . 16266 1 81 . 1 1 11 11 ARG HB3 H 1 1.875 0.02 . 2 . . . . 11 R HB2 . 16266 1 82 . 1 1 11 11 ARG HD2 H 1 3.283 0.02 . 2 . . . . 11 R HD1 . 16266 1 83 . 1 1 11 11 ARG HG2 H 1 1.680 0.02 . 2 . . . . 11 R HG1 . 16266 1 84 . 1 1 11 11 ARG C C 13 176.636 0.3 . 1 . . . . 11 R C . 16266 1 85 . 1 1 11 11 ARG CA C 13 56.477 0.3 . 1 . . . . 11 R CA . 16266 1 86 . 1 1 11 11 ARG CB C 13 30.614 0.3 . 1 . . . . 11 R CB . 16266 1 87 . 1 1 11 11 ARG CD C 13 43.744 0.3 . 1 . . . . 11 R CD . 16266 1 88 . 1 1 11 11 ARG CG C 13 27.093 0.3 . 1 . . . . 11 R CG . 16266 1 89 . 1 1 11 11 ARG N N 15 121.876 0.3 . 1 . . . . 11 R N . 16266 1 90 . 1 1 12 12 THR H H 1 8.235 0.02 . 1 . . . . 12 T HN . 16266 1 91 . 1 1 12 12 THR HA H 1 4.445 0.02 . 1 . . . . 12 T HA . 16266 1 92 . 1 1 12 12 THR HB H 1 4.344 0.02 . 1 . . . . 12 T HB . 16266 1 93 . 1 1 12 12 THR HG21 H 1 1.269 0.02 . 1 . . . . 12 T HG21 . 16266 1 94 . 1 1 12 12 THR HG22 H 1 1.269 0.02 . 1 . . . . 12 T HG21 . 16266 1 95 . 1 1 12 12 THR HG23 H 1 1.269 0.02 . 1 . . . . 12 T HG21 . 16266 1 96 . 1 1 12 12 THR CA C 13 61.832 0.3 . 1 . . . . 12 T CA . 16266 1 97 . 1 1 12 12 THR CB C 13 69.548 0.3 . 1 . . . . 12 T CB . 16266 1 98 . 1 1 12 12 THR CG2 C 13 21.559 0.3 . 1 . . . . 12 T CG2 . 16266 1 99 . 1 1 12 12 THR N N 15 114.437 0.3 . 1 . . . . 12 T N . 16266 1 100 . 1 1 13 13 SER HA H 1 4.456 0.02 . 1 . . . . 13 S HA . 16266 1 101 . 1 1 13 13 SER HB2 H 1 3.973 0.02 . 2 . . . . 13 S HB1 . 16266 1 102 . 1 1 13 13 SER C C 13 175.079 0.3 . 1 . . . . 13 S C . 16266 1 103 . 1 1 13 13 SER CA C 13 58.559 0.3 . 1 . . . . 13 S CA . 16266 1 104 . 1 1 13 13 SER CB C 13 63.894 0.3 . 1 . . . . 13 S CB . 16266 1 105 . 1 1 14 14 GLY H H 1 8.431 0.02 . 1 . . . . 14 G HN . 16266 1 106 . 1 1 14 14 GLY HA2 H 1 4.042 0.02 . 2 . . . . 14 G HA1 . 16266 1 107 . 1 1 14 14 GLY HA3 H 1 4.047 0.02 . 2 . . . . 14 G HA2 . 16266 1 108 . 1 1 14 14 GLY C C 13 174.220 0.3 . 1 . . . . 14 G C . 16266 1 109 . 1 1 14 14 GLY CA C 13 45.492 0.3 . 1 . . . . 14 G CA . 16266 1 110 . 1 1 14 14 GLY N N 15 110.860 0.3 . 1 . . . . 14 G N . 16266 1 111 . 1 1 15 15 ARG H H 1 8.107 0.02 . 1 . . . . 15 R HN . 16266 1 112 . 1 1 15 15 ARG HA H 1 4.432 0.02 . 1 . . . . 15 R HA . 16266 1 113 . 1 1 15 15 ARG HB2 H 1 1.925 0.02 . 2 . . . . 15 R HB1 . 16266 1 114 . 1 1 15 15 ARG HB3 H 1 1.817 0.02 . 2 . . . . 15 R HB2 . 16266 1 115 . 1 1 15 15 ARG HD2 H 1 3.217 0.02 . 2 . . . . 15 R HD1 . 16266 1 116 . 1 1 15 15 ARG HG2 H 1 1.671 0.02 . 2 . . . . 15 R HG1 . 16266 1 117 . 1 1 15 15 ARG CA C 13 56.175 0.3 . 1 . . . . 15 R CA . 16266 1 118 . 1 1 15 15 ARG CB C 13 30.945 0.3 . 1 . . . . 15 R CB . 16266 1 119 . 1 1 15 15 ARG N N 15 120.815 0.3 . 1 . . . . 15 R N . 16266 1 120 . 1 1 17 17 GLN HA H 1 4.330 0.02 . 1 . . . . 17 Q HA . 16266 1 121 . 1 1 17 17 GLN HB2 H 1 2.160 0.02 . 2 . . . . 17 Q HB1 . 16266 1 122 . 1 1 17 17 GLN HB3 H 1 2.023 0.02 . 2 . . . . 17 Q HB2 . 16266 1 123 . 1 1 17 17 GLN HG2 H 1 2.398 0.02 . 2 . . . . 17 Q HG1 . 16266 1 124 . 1 1 17 17 GLN C C 13 176.539 0.3 . 1 . . . . 17 Q C . 16266 1 125 . 1 1 17 17 GLN CA C 13 56.781 0.3 . 1 . . . . 17 Q CA . 16266 1 126 . 1 1 17 17 GLN CB C 13 29.519 0.3 . 1 . . . . 17 Q CB . 16266 1 127 . 1 1 17 17 GLN CG C 13 33.767 0.3 . 1 . . . . 17 Q CG . 16266 1 128 . 1 1 18 18 GLY H H 1 8.343 0.02 . 1 . . . . 18 G HN . 16266 1 129 . 1 1 18 18 GLY HA2 H 1 3.894 0.02 . 2 . . . . 18 G HA1 . 16266 1 130 . 1 1 18 18 GLY C C 13 177.743 0.3 . 1 . . . . 18 G C . 16266 1 131 . 1 1 18 18 GLY CA C 13 45.497 0.3 . 1 . . . . 18 G CA . 16266 1 132 . 1 1 18 18 GLY N N 15 109.925 0.3 . 1 . . . . 18 G N . 16266 1 133 . 1 1 19 19 SER H H 1 8.005 0.02 . 1 . . . . 19 S HN . 16266 1 134 . 1 1 19 19 SER HA H 1 4.329 0.02 . 1 . . . . 19 S HA . 16266 1 135 . 1 1 19 19 SER HB2 H 1 3.720 0.02 . 2 . . . . 19 S HB1 . 16266 1 136 . 1 1 19 19 SER C C 13 175.168 0.3 . 1 . . . . 19 S C . 16266 1 137 . 1 1 19 19 SER CA C 13 58.852 0.3 . 1 . . . . 19 S CA . 16266 1 138 . 1 1 19 19 SER CB C 13 63.604 0.3 . 1 . . . . 19 S CB . 16266 1 139 . 1 1 19 19 SER N N 15 115.090 0.3 . 1 . . . . 19 S N . 16266 1 140 . 1 1 20 20 TYR H H 1 8.040 0.02 . 1 . . . . 20 Y HN . 16266 1 141 . 1 1 20 20 TYR HA H 1 4.439 0.02 . 1 . . . . 20 Y HA . 16266 1 142 . 1 1 20 20 TYR HB2 H 1 3.132 0.02 . 2 . . . . 20 Y HB1 . 16266 1 143 . 1 1 20 20 TYR HB3 H 1 3.013 0.02 . 2 . . . . 20 Y HB2 . 16266 1 144 . 1 1 20 20 TYR HD1 H 1 6.913 0.02 . 3 . . . . 20 Y HD1 . 16266 1 145 . 1 1 20 20 TYR HE1 H 1 6.694 0.02 . 3 . . . . 20 Y HE1 . 16266 1 146 . 1 1 20 20 TYR C C 13 176.111 0.3 . 1 . . . . 20 Y C . 16266 1 147 . 1 1 20 20 TYR CA C 13 57.966 0.3 . 1 . . . . 20 Y CA . 16266 1 148 . 1 1 20 20 TYR CB C 13 37.472 0.3 . 1 . . . . 20 Y CB . 16266 1 149 . 1 1 20 20 TYR N N 15 118.675 0.3 . 1 . . . . 20 Y N . 16266 1 150 . 1 1 21 21 GLN H H 1 7.909 0.02 . 1 . . . . 21 Q HN . 16266 1 151 . 1 1 21 21 GLN HA H 1 3.903 0.02 . 1 . . . . 21 Q HA . 16266 1 152 . 1 1 21 21 GLN HB2 H 1 2.196 0.02 . 2 . . . . 21 Q HB1 . 16266 1 153 . 1 1 21 21 GLN HB3 H 1 2.145 0.02 . 2 . . . . 21 Q HB2 . 16266 1 154 . 1 1 21 21 GLN HG2 H 1 2.472 0.02 . 2 . . . . 21 Q HG1 . 16266 1 155 . 1 1 21 21 GLN C C 13 178.003 0.3 . 1 . . . . 21 Q C . 16266 1 156 . 1 1 21 21 GLN CA C 13 58.523 0.3 . 1 . . . . 21 Q CA . 16266 1 157 . 1 1 21 21 GLN CB C 13 28.438 0.3 . 1 . . . . 21 Q CB . 16266 1 158 . 1 1 21 21 GLN CG C 13 33.700 0.3 . 1 . . . . 21 Q CG . 16266 1 159 . 1 1 21 21 GLN N N 15 117.056 0.3 . 1 . . . . 21 Q N . 16266 1 160 . 1 1 22 22 GLU H H 1 8.965 0.02 . 1 . . . . 22 E HN . 16266 1 161 . 1 1 22 22 GLU HA H 1 4.267 0.02 . 1 . . . . 22 E HA . 16266 1 162 . 1 1 22 22 GLU HB2 H 1 2.320 0.02 . 2 . . . . 22 E HB1 . 16266 1 163 . 1 1 22 22 GLU HB3 H 1 2.021 0.02 . 2 . . . . 22 E HB2 . 16266 1 164 . 1 1 22 22 GLU HG2 H 1 2.605 0.02 . 2 . . . . 22 E HG1 . 16266 1 165 . 1 1 22 22 GLU C C 13 176.451 0.3 . 1 . . . . 22 E C . 16266 1 166 . 1 1 22 22 GLU CA C 13 58.273 0.3 . 1 . . . . 22 E CA . 16266 1 167 . 1 1 22 22 GLU CB C 13 29.412 0.3 . 1 . . . . 22 E CB . 16266 1 168 . 1 1 22 22 GLU CG C 13 36.591 0.3 . 1 . . . . 22 E CG . 16266 1 169 . 1 1 22 22 GLU N N 15 117.289 0.3 . 1 . . . . 22 E N . 16266 1 170 . 1 1 23 23 ILE H H 1 7.596 0.02 . 1 . . . . 23 I HN . 16266 1 171 . 1 1 23 23 ILE HA H 1 4.161 0.02 . 1 . . . . 23 I HA . 16266 1 172 . 1 1 23 23 ILE HB H 1 2.041 0.02 . 1 . . . . 23 I HB . 16266 1 173 . 1 1 23 23 ILE HD11 H 1 0.814 0.02 . 1 . . . . 23 I HD11 . 16266 1 174 . 1 1 23 23 ILE HD12 H 1 0.814 0.02 . 1 . . . . 23 I HD11 . 16266 1 175 . 1 1 23 23 ILE HD13 H 1 0.814 0.02 . 1 . . . . 23 I HD11 . 16266 1 176 . 1 1 23 23 ILE HG12 H 1 1.541 0.02 . 2 . . . . 23 I HG11 . 16266 1 177 . 1 1 23 23 ILE HG21 H 1 0.974 0.02 . 1 . . . . 23 I HG21 . 16266 1 178 . 1 1 23 23 ILE HG22 H 1 0.974 0.02 . 1 . . . . 23 I HG21 . 16266 1 179 . 1 1 23 23 ILE HG23 H 1 0.974 0.02 . 1 . . . . 23 I HG21 . 16266 1 180 . 1 1 23 23 ILE C C 13 176.195 0.3 . 1 . . . . 23 I C . 16266 1 181 . 1 1 23 23 ILE CA C 13 58.120 0.3 . 1 . . . . 23 I CA . 16266 1 182 . 1 1 23 23 ILE CB C 13 38.461 0.3 . 1 . . . . 23 I CB . 16266 1 183 . 1 1 23 23 ILE CD1 C 13 11.916 0.3 . 1 . . . . 23 I CD1 . 16266 1 184 . 1 1 23 23 ILE CG1 C 13 28.871 0.3 . 1 . . . . 23 I CG1 . 16266 1 185 . 1 1 23 23 ILE CG2 C 13 19.961 0.3 . 1 . . . . 23 I CG2 . 16266 1 186 . 1 1 23 23 ILE N N 15 114.005 0.3 . 1 . . . . 23 I N . 16266 1 187 . 1 1 24 24 ILE H H 1 7.178 0.02 . 1 . . . . 24 I HN . 16266 1 188 . 1 1 24 24 ILE HA H 1 3.740 0.02 . 1 . . . . 24 I HA . 16266 1 189 . 1 1 24 24 ILE HB H 1 1.929 0.02 . 1 . . . . 24 I HB . 16266 1 190 . 1 1 24 24 ILE HD11 H 1 0.841 0.02 . 1 . . . . 24 I HD11 . 16266 1 191 . 1 1 24 24 ILE HD12 H 1 0.841 0.02 . 1 . . . . 24 I HD11 . 16266 1 192 . 1 1 24 24 ILE HD13 H 1 0.841 0.02 . 1 . . . . 24 I HD11 . 16266 1 193 . 1 1 24 24 ILE HG12 H 1 1.630 0.02 . 2 . . . . 24 I HG11 . 16266 1 194 . 1 1 24 24 ILE HG21 H 1 0.849 0.02 . 1 . . . . 24 I HG21 . 16266 1 195 . 1 1 24 24 ILE HG22 H 1 0.849 0.02 . 1 . . . . 24 I HG21 . 16266 1 196 . 1 1 24 24 ILE HG23 H 1 0.849 0.02 . 1 . . . . 24 I HG21 . 16266 1 197 . 1 1 24 24 ILE C C 13 177.831 0.3 . 1 . . . . 24 I C . 16266 1 198 . 1 1 24 24 ILE CA C 13 63.318 0.3 . 1 . . . . 24 I CA . 16266 1 199 . 1 1 24 24 ILE CB C 13 36.590 0.3 . 1 . . . . 24 I CB . 16266 1 200 . 1 1 24 24 ILE CD1 C 13 12.540 0.3 . 1 . . . . 24 I CD1 . 16266 1 201 . 1 1 24 24 ILE CG1 C 13 28.567 0.3 . 1 . . . . 24 I CG1 . 16266 1 202 . 1 1 24 24 ILE CG2 C 13 17.291 0.3 . 1 . . . . 24 I CG2 . 16266 1 203 . 1 1 24 24 ILE N N 15 122.099 0.3 . 1 . . . . 24 I N . 16266 1 204 . 1 1 25 25 GLY H H 1 8.618 0.02 . 1 . . . . 25 G HN . 16266 1 205 . 1 1 25 25 GLY HA2 H 1 4.390 0.02 . 2 . . . . 25 G HA1 . 16266 1 206 . 1 1 25 25 GLY HA3 H 1 4.168 0.02 . 2 . . . . 25 G HA2 . 16266 1 207 . 1 1 25 25 GLY C C 13 175.210 0.3 . 1 . . . . 25 G C . 16266 1 208 . 1 1 25 25 GLY CA C 13 45.798 0.3 . 1 . . . . 25 G CA . 16266 1 209 . 1 1 25 25 GLY N N 15 115.531 0.3 . 1 . . . . 25 G N . 16266 1 210 . 1 1 26 26 ARG H H 1 8.277 0.02 . 1 . . . . 26 R HN . 16266 1 211 . 1 1 26 26 ARG HA H 1 4.477 0.02 . 1 . . . . 26 R HA . 16266 1 212 . 1 1 26 26 ARG HB2 H 1 1.349 0.02 . 2 . . . . 26 R HB1 . 16266 1 213 . 1 1 26 26 ARG HB3 H 1 1.149 0.02 . 2 . . . . 26 R HB2 . 16266 1 214 . 1 1 26 26 ARG HD2 H 1 2.483 0.02 . 2 . . . . 26 R HD1 . 16266 1 215 . 1 1 26 26 ARG HD3 H 1 2.811 0.02 . 2 . . . . 26 R HD2 . 16266 1 216 . 1 1 26 26 ARG HG2 H 1 1.305 0.02 . 2 . . . . 26 R HG1 . 16266 1 217 . 1 1 26 26 ARG HG3 H 1 1.155 0.02 . 2 . . . . 26 R HG2 . 16266 1 218 . 1 1 26 26 ARG C C 13 175.944 0.3 . 1 . . . . 26 R C . 16266 1 219 . 1 1 26 26 ARG CA C 13 54.408 0.3 . 1 . . . . 26 R CA . 16266 1 220 . 1 1 26 26 ARG CB C 13 29.501 0.3 . 1 . . . . 26 R CB . 16266 1 221 . 1 1 26 26 ARG CD C 13 43.713 0.3 . 1 . . . . 26 R CD . 16266 1 222 . 1 1 26 26 ARG CG C 13 27.087 0.3 . 1 . . . . 26 R CG . 16266 1 223 . 1 1 26 26 ARG N N 15 119.689 0.3 . 1 . . . . 26 R N . 16266 1 224 . 1 1 27 27 THR H H 1 7.923 0.02 . 1 . . . . 27 T HN . 16266 1 225 . 1 1 27 27 THR HA H 1 3.792 0.02 . 1 . . . . 27 T HA . 16266 1 226 . 1 1 27 27 THR HB H 1 4.549 0.02 . 1 . . . . 27 T HB . 16266 1 227 . 1 1 27 27 THR HG21 H 1 1.412 0.02 . 1 . . . . 27 T HG21 . 16266 1 228 . 1 1 27 27 THR HG22 H 1 1.412 0.02 . 1 . . . . 27 T HG21 . 16266 1 229 . 1 1 27 27 THR HG23 H 1 1.412 0.02 . 1 . . . . 27 T HG21 . 16266 1 230 . 1 1 27 27 THR C C 13 175.251 0.3 . 1 . . . . 27 T C . 16266 1 231 . 1 1 27 27 THR CA C 13 64.791 0.3 . 1 . . . . 27 T CA . 16266 1 232 . 1 1 27 27 THR CB C 13 68.354 0.3 . 1 . . . . 27 T CB . 16266 1 233 . 1 1 27 27 THR CG2 C 13 23.228 0.3 . 1 . . . . 27 T CG2 . 16266 1 234 . 1 1 27 27 THR N N 15 109.195 0.3 . 1 . . . . 27 T N . 16266 1 235 . 1 1 28 28 TRP H H 1 7.389 0.02 . 1 . . . . 28 W HN . 16266 1 236 . 1 1 28 28 TRP HA H 1 4.441 0.02 . 1 . . . . 28 W HA . 16266 1 237 . 1 1 28 28 TRP HB2 H 1 3.604 0.02 . 2 . . . . 28 W HB1 . 16266 1 238 . 1 1 28 28 TRP HB3 H 1 3.366 0.02 . 2 . . . . 28 W HB2 . 16266 1 239 . 1 1 28 28 TRP HD1 H 1 7.471 0.02 . 1 . . . . 28 W HD1 . 16266 1 240 . 1 1 28 28 TRP C C 13 178.519 0.3 . 1 . . . . 28 W C . 16266 1 241 . 1 1 28 28 TRP CA C 13 57.789 0.3 . 1 . . . . 28 W CA . 16266 1 242 . 1 1 28 28 TRP CB C 13 27.387 0.3 . 1 . . . . 28 W CB . 16266 1 243 . 1 1 28 28 TRP N N 15 120.127 0.3 . 1 . . . . 28 W N . 16266 1 244 . 1 1 29 29 ILE H H 1 6.832 0.02 . 1 . . . . 29 I HN . 16266 1 245 . 1 1 29 29 ILE HA H 1 3.612 0.02 . 1 . . . . 29 I HA . 16266 1 246 . 1 1 29 29 ILE HB H 1 1.297 0.02 . 1 . . . . 29 I HB . 16266 1 247 . 1 1 29 29 ILE HD11 H 1 0.372 0.02 . 1 . . . . 29 I HD11 . 16266 1 248 . 1 1 29 29 ILE HD12 H 1 0.372 0.02 . 1 . . . . 29 I HD11 . 16266 1 249 . 1 1 29 29 ILE HD13 H 1 0.372 0.02 . 1 . . . . 29 I HD11 . 16266 1 250 . 1 1 29 29 ILE HG12 H 1 0.219 0.02 . 2 . . . . 29 I HG11 . 16266 1 251 . 1 1 29 29 ILE HG21 H 1 -0.046 0.02 . 1 . . . . 29 I HG21 . 16266 1 252 . 1 1 29 29 ILE HG22 H 1 -0.046 0.02 . 1 . . . . 29 I HG21 . 16266 1 253 . 1 1 29 29 ILE HG23 H 1 -0.046 0.02 . 1 . . . . 29 I HG21 . 16266 1 254 . 1 1 29 29 ILE C C 13 176.023 0.3 . 1 . . . . 29 I C . 16266 1 255 . 1 1 29 29 ILE CA C 13 63.773 0.3 . 1 . . . . 29 I CA . 16266 1 256 . 1 1 29 29 ILE CB C 13 37.567 0.3 . 1 . . . . 29 I CB . 16266 1 257 . 1 1 29 29 ILE CD1 C 13 14.618 0.3 . 1 . . . . 29 I CD1 . 16266 1 258 . 1 1 29 29 ILE CG1 C 13 25.617 0.3 . 1 . . . . 29 I CG1 . 16266 1 259 . 1 1 29 29 ILE CG2 C 13 15.927 0.3 . 1 . . . . 29 I CG2 . 16266 1 260 . 1 1 29 29 ILE N N 15 119.913 0.3 . 1 . . . . 29 I N . 16266 1 261 . 1 1 30 30 PHE H H 1 7.329 0.02 . 1 . . . . 30 F HN . 16266 1 262 . 1 1 30 30 PHE HA H 1 3.912 0.02 . 1 . . . . 30 F HA . 16266 1 263 . 1 1 30 30 PHE HB2 H 1 2.590 0.02 . 2 . . . . 30 F HB1 . 16266 1 264 . 1 1 30 30 PHE HB3 H 1 2.033 0.02 . 2 . . . . 30 F HB2 . 16266 1 265 . 1 1 30 30 PHE HD1 H 1 6.978 0.02 . 3 . . . . 30 F HD1 . 16266 1 266 . 1 1 30 30 PHE HE1 H 1 7.169 0.02 . 3 . . . . 30 F HE1 . 16266 1 267 . 1 1 30 30 PHE HZ H 1 7.304 0.02 . 1 . . . . 30 F HZ . 16266 1 268 . 1 1 30 30 PHE C C 13 177.101 0.3 . 1 . . . . 30 F C . 16266 1 269 . 1 1 30 30 PHE CA C 13 59.436 0.3 . 1 . . . . 30 F CA . 16266 1 270 . 1 1 30 30 PHE CB C 13 38.734 0.3 . 1 . . . . 30 F CB . 16266 1 271 . 1 1 30 30 PHE N N 15 116.638 0.3 . 1 . . . . 30 F N . 16266 1 272 . 1 1 31 31 ARG H H 1 7.399 0.02 . 1 . . . . 31 R HN . 16266 1 273 . 1 1 31 31 ARG HA H 1 4.287 0.02 . 1 . . . . 31 R HA . 16266 1 274 . 1 1 31 31 ARG HB2 H 1 2.317 0.02 . 2 . . . . 31 R HB1 . 16266 1 275 . 1 1 31 31 ARG HB3 H 1 2.020 0.02 . 2 . . . . 31 R HB2 . 16266 1 276 . 1 1 31 31 ARG HD2 H 1 3.733 0.02 . 2 . . . . 31 R HD1 . 16266 1 277 . 1 1 31 31 ARG HD3 H 1 3.603 0.02 . 2 . . . . 31 R HD2 . 16266 1 278 . 1 1 31 31 ARG C C 13 176.539 0.3 . 1 . . . . 31 R C . 16266 1 279 . 1 1 31 31 ARG CA C 13 58.852 0.3 . 1 . . . . 31 R CA . 16266 1 280 . 1 1 31 31 ARG CB C 13 29.461 0.3 . 1 . . . . 31 R CB . 16266 1 281 . 1 1 31 31 ARG N N 15 122.099 0.3 . 1 . . . . 31 R N . 16266 1 282 . 1 1 32 32 GLY H H 1 8.346 0.02 . 1 . . . . 32 G HN . 16266 1 283 . 1 1 32 32 GLY HA2 H 1 4.284 0.02 . 2 . . . . 32 G HA1 . 16266 1 284 . 1 1 32 32 GLY HA3 H 1 3.629 0.02 . 2 . . . . 32 G HA2 . 16266 1 285 . 1 1 32 32 GLY C C 13 173.791 0.3 . 1 . . . . 32 G C . 16266 1 286 . 1 1 32 32 GLY CA C 13 45.793 0.3 . 1 . . . . 32 G CA . 16266 1 287 . 1 1 32 32 GLY N N 15 109.964 0.3 . 1 . . . . 32 G N . 16266 1 288 . 1 1 33 33 ALA H H 1 7.510 0.02 . 1 . . . . 33 A HN . 16266 1 289 . 1 1 33 33 ALA HA H 1 4.193 0.02 . 1 . . . . 33 A HA . 16266 1 290 . 1 1 33 33 ALA HB1 H 1 1.367 0.02 . 1 . . . . 33 A HB1 . 16266 1 291 . 1 1 33 33 ALA HB2 H 1 1.367 0.02 . 1 . . . . 33 A HB1 . 16266 1 292 . 1 1 33 33 ALA HB3 H 1 1.367 0.02 . 1 . . . . 33 A HB1 . 16266 1 293 . 1 1 33 33 ALA C C 13 176.672 0.3 . 1 . . . . 33 A C . 16266 1 294 . 1 1 33 33 ALA CA C 13 54.401 0.3 . 1 . . . . 33 A CA . 16266 1 295 . 1 1 33 33 ALA CB C 13 19.368 0.3 . 1 . . . . 33 A CB . 16266 1 296 . 1 1 33 33 ALA N N 15 122.266 0.3 . 1 . . . . 33 A N . 16266 1 297 . 1 1 34 34 HIS H H 1 8.759 0.02 . 1 . . . . 34 H HN . 16266 1 298 . 1 1 34 34 HIS HA H 1 4.529 0.02 . 1 . . . . 34 H HA . 16266 1 299 . 1 1 34 34 HIS HB2 H 1 3.421 0.02 . 2 . . . . 34 H HB1 . 16266 1 300 . 1 1 34 34 HIS HB3 H 1 2.797 0.02 . 2 . . . . 34 H HB2 . 16266 1 301 . 1 1 34 34 HIS HD2 H 1 7.729 0.02 . 1 . . . . 34 H HD2 . 16266 1 302 . 1 1 34 34 HIS C C 13 175.767 0.3 . 1 . . . . 34 H C . 16266 1 303 . 1 1 34 34 HIS CA C 13 54.997 0.3 . 1 . . . . 34 H CA . 16266 1 304 . 1 1 34 34 HIS CB C 13 31.089 0.3 . 1 . . . . 34 H CB . 16266 1 305 . 1 1 34 34 HIS N N 15 119.038 0.3 . 1 . . . . 34 H N . 16266 1 306 . 1 1 35 35 ARG H H 1 8.142 0.02 . 1 . . . . 35 R HN . 16266 1 307 . 1 1 35 35 ARG HA H 1 4.700 0.02 . 1 . . . . 35 R HA . 16266 1 308 . 1 1 35 35 ARG HB2 H 1 1.454 0.02 . 2 . . . . 35 R HB1 . 16266 1 309 . 1 1 35 35 ARG HB3 H 1 1.411 0.02 . 2 . . . . 35 R HB2 . 16266 1 310 . 1 1 35 35 ARG HD2 H 1 2.640 0.02 . 2 . . . . 35 R HD1 . 16266 1 311 . 1 1 35 35 ARG HD3 H 1 2.531 0.02 . 2 . . . . 35 R HD2 . 16266 1 312 . 1 1 35 35 ARG HG2 H 1 1.153 0.02 . 2 . . . . 35 R HG1 . 16266 1 313 . 1 1 35 35 ARG HG3 H 1 0.570 0.02 . 2 . . . . 35 R HG2 . 16266 1 314 . 1 1 35 35 ARG C C 13 177.572 0.3 . 1 . . . . 35 R C . 16266 1 315 . 1 1 35 35 ARG CA C 13 54.103 0.3 . 1 . . . . 35 R CA . 16266 1 316 . 1 1 35 35 ARG CB C 13 29.112 0.3 . 1 . . . . 35 R CB . 16266 1 317 . 1 1 35 35 ARG CD C 13 43.122 0.3 . 1 . . . . 35 R CD . 16266 1 318 . 1 1 35 35 ARG CG C 13 26.360 0.3 . 1 . . . . 35 R CG . 16266 1 319 . 1 1 35 35 ARG N N 15 127.785 0.3 . 1 . . . . 35 R N . 16266 1 320 . 1 1 36 36 GLY H H 1 9.352 0.02 . 1 . . . . 36 G HN . 16266 1 321 . 1 1 36 36 GLY HA2 H 1 4.291 0.02 . 2 . . . . 36 G HA1 . 16266 1 322 . 1 1 36 36 GLY HA3 H 1 3.247 0.02 . 2 . . . . 36 G HA2 . 16266 1 323 . 1 1 36 36 GLY C C 13 173.876 0.3 . 1 . . . . 36 G C . 16266 1 324 . 1 1 36 36 GLY CA C 13 45.644 0.3 . 1 . . . . 36 G CA . 16266 1 325 . 1 1 36 36 GLY N N 15 109.626 0.3 . 1 . . . . 36 G N . 16266 1 326 . 1 1 37 37 ARG H H 1 9.384 0.02 . 1 . . . . 37 R HN . 16266 1 327 . 1 1 37 37 ARG HA H 1 4.688 0.02 . 1 . . . . 37 R HA . 16266 1 328 . 1 1 37 37 ARG HB2 H 1 2.077 0.02 . 2 . . . . 37 R HB1 . 16266 1 329 . 1 1 37 37 ARG HD2 H 1 3.380 0.02 . 2 . . . . 37 R HD1 . 16266 1 330 . 1 1 37 37 ARG HD3 H 1 3.321 0.02 . 2 . . . . 37 R HD2 . 16266 1 331 . 1 1 37 37 ARG HG2 H 1 1.885 0.02 . 2 . . . . 37 R HG1 . 16266 1 332 . 1 1 37 37 ARG HG3 H 1 1.812 0.02 . 2 . . . . 37 R HG2 . 16266 1 333 . 1 1 37 37 ARG C C 13 175.081 0.3 . 1 . . . . 37 R C . 16266 1 334 . 1 1 37 37 ARG CA C 13 55.742 0.3 . 1 . . . . 37 R CA . 16266 1 335 . 1 1 37 37 ARG CB C 13 28.138 0.3 . 1 . . . . 37 R CB . 16266 1 336 . 1 1 37 37 ARG CD C 13 43.419 0.3 . 1 . . . . 37 R CD . 16266 1 337 . 1 1 37 37 ARG CG C 13 27.389 0.3 . 1 . . . . 37 R CG . 16266 1 338 . 1 1 37 37 ARG N N 15 127.132 0.3 . 1 . . . . 37 R N . 16266 1 339 . 1 1 38 38 VAL H H 1 7.605 0.02 . 1 . . . . 38 V HN . 16266 1 340 . 1 1 38 38 VAL HA H 1 4.591 0.02 . 1 . . . . 38 V HA . 16266 1 341 . 1 1 38 38 VAL HB H 1 1.617 0.02 . 1 . . . . 38 V HB . 16266 1 342 . 1 1 38 38 VAL HG11 H 1 0.680 0.02 . 2 . . . . 38 V HG11 . 16266 1 343 . 1 1 38 38 VAL HG12 H 1 0.680 0.02 . 2 . . . . 38 V HG11 . 16266 1 344 . 1 1 38 38 VAL HG13 H 1 0.680 0.02 . 2 . . . . 38 V HG11 . 16266 1 345 . 1 1 38 38 VAL HG21 H 1 0.379 0.02 . 2 . . . . 38 V HG21 . 16266 1 346 . 1 1 38 38 VAL HG22 H 1 0.379 0.02 . 2 . . . . 38 V HG21 . 16266 1 347 . 1 1 38 38 VAL HG23 H 1 0.379 0.02 . 2 . . . . 38 V HG21 . 16266 1 348 . 1 1 38 38 VAL C C 13 174.391 0.3 . 1 . . . . 38 V C . 16266 1 349 . 1 1 38 38 VAL CA C 13 60.092 0.3 . 1 . . . . 38 V CA . 16266 1 350 . 1 1 38 38 VAL CB C 13 33.328 0.3 . 1 . . . . 38 V CB . 16266 1 351 . 1 1 38 38 VAL CG1 C 13 21.748 0.3 . 2 . . . . 38 V CG1 . 16266 1 352 . 1 1 38 38 VAL CG2 C 13 20.559 0.3 . 2 . . . . 38 V CG2 . 16266 1 353 . 1 1 38 38 VAL N N 15 126.253 0.3 . 1 . . . . 38 V N . 16266 1 354 . 1 1 39 39 ASN H H 1 9.007 0.02 . 1 . . . . 39 N HN . 16266 1 355 . 1 1 39 39 ASN HA H 1 4.736 0.02 . 1 . . . . 39 N HA . 16266 1 356 . 1 1 39 39 ASN HB2 H 1 3.190 0.02 . 2 . . . . 39 N HB1 . 16266 1 357 . 1 1 39 39 ASN HB3 H 1 2.895 0.02 . 2 . . . . 39 N HB2 . 16266 1 358 . 1 1 39 39 ASN C C 13 174.562 0.3 . 1 . . . . 39 N C . 16266 1 359 . 1 1 39 39 ASN CA C 13 51.577 0.3 . 1 . . . . 39 N CA . 16266 1 360 . 1 1 39 39 ASN CB C 13 40.749 0.3 . 1 . . . . 39 N CB . 16266 1 361 . 1 1 39 39 ASN N N 15 123.411 0.3 . 1 . . . . 39 N N . 16266 1 362 . 1 1 40 40 LYS H H 1 8.510 0.02 . 1 . . . . 40 K HN . 16266 1 363 . 1 1 40 40 LYS HA H 1 3.909 0.02 . 1 . . . . 40 K HA . 16266 1 364 . 1 1 40 40 LYS HB2 H 1 1.982 0.02 . 2 . . . . 40 K HB1 . 16266 1 365 . 1 1 40 40 LYS HB3 H 1 1.901 0.02 . 2 . . . . 40 K HB2 . 16266 1 366 . 1 1 40 40 LYS HD2 H 1 1.817 0.02 . 2 . . . . 40 K HD1 . 16266 1 367 . 1 1 40 40 LYS HE2 H 1 3.130 0.02 . 2 . . . . 40 K HE1 . 16266 1 368 . 1 1 40 40 LYS HG2 H 1 1.611 0.02 . 2 . . . . 40 K HG1 . 16266 1 369 . 1 1 40 40 LYS HG3 H 1 1.454 0.02 . 2 . . . . 40 K HG2 . 16266 1 370 . 1 1 40 40 LYS C C 13 176.629 0.3 . 1 . . . . 40 K C . 16266 1 371 . 1 1 40 40 LYS CA C 13 59.141 0.3 . 1 . . . . 40 K CA . 16266 1 372 . 1 1 40 40 LYS CB C 13 32.301 0.3 . 1 . . . . 40 K CB . 16266 1 373 . 1 1 40 40 LYS CD C 13 29.466 0.3 . 1 . . . . 40 K CD . 16266 1 374 . 1 1 40 40 LYS CE C 13 41.933 0.3 . 1 . . . . 40 K CE . 16266 1 375 . 1 1 40 40 LYS CG C 13 25.031 0.3 . 1 . . . . 40 K CG . 16266 1 376 . 1 1 40 40 LYS N N 15 116.303 0.3 . 1 . . . . 40 K N . 16266 1 377 . 1 1 41 41 LYS H H 1 7.907 0.02 . 1 . . . . 41 K HN . 16266 1 378 . 1 1 41 41 LYS HA H 1 4.172 0.02 . 1 . . . . 41 K HA . 16266 1 379 . 1 1 41 41 LYS HB2 H 1 1.750 0.02 . 2 . . . . 41 K HB1 . 16266 1 380 . 1 1 41 41 LYS HD2 H 1 1.538 0.02 . 2 . . . . 41 K HD1 . 16266 1 381 . 1 1 41 41 LYS HE2 H 1 2.789 0.02 . 2 . . . . 41 K HE1 . 16266 1 382 . 1 1 41 41 LYS HG2 H 1 1.262 0.02 . 2 . . . . 41 K HG1 . 16266 1 383 . 1 1 41 41 LYS HG3 H 1 1.186 0.02 . 2 . . . . 41 K HG2 . 16266 1 384 . 1 1 41 41 LYS C C 13 177.229 0.3 . 1 . . . . 41 K C . 16266 1 385 . 1 1 41 41 LYS CA C 13 57.392 0.3 . 1 . . . . 41 K CA . 16266 1 386 . 1 1 41 41 LYS CB C 13 32.667 0.3 . 1 . . . . 41 K CB . 16266 1 387 . 1 1 41 41 LYS CD C 13 28.872 0.3 . 1 . . . . 41 K CD . 16266 1 388 . 1 1 41 41 LYS CE C 13 42.246 0.3 . 1 . . . . 41 K CE . 16266 1 389 . 1 1 41 41 LYS CG C 13 25.012 0.3 . 1 . . . . 41 K CG . 16266 1 390 . 1 1 41 41 LYS N N 15 117.066 0.3 . 1 . . . . 41 K N . 16266 1 391 . 1 1 42 42 ASN H H 1 7.962 0.02 . 1 . . . . 42 N HN . 16266 1 392 . 1 1 42 42 ASN HA H 1 4.392 0.02 . 1 . . . . 42 N HA . 16266 1 393 . 1 1 42 42 ASN HB2 H 1 3.552 0.02 . 2 . . . . 42 N HB1 . 16266 1 394 . 1 1 42 42 ASN HB3 H 1 2.932 0.02 . 2 . . . . 42 N HB2 . 16266 1 395 . 1 1 42 42 ASN C C 13 179.805 0.3 . 1 . . . . 42 N C . 16266 1 396 . 1 1 42 42 ASN CA C 13 52.335 0.3 . 1 . . . . 42 N CA . 16266 1 397 . 1 1 42 42 ASN CB C 13 39.348 0.3 . 1 . . . . 42 N CB . 16266 1 398 . 1 1 42 42 ASN N N 15 114.442 0.3 . 1 . . . . 42 N N . 16266 1 399 . 1 1 43 43 ILE H H 1 7.806 0.02 . 1 . . . . 43 I HN . 16266 1 400 . 1 1 43 43 ILE HA H 1 3.747 0.02 . 1 . . . . 43 I HA . 16266 1 401 . 1 1 43 43 ILE HB H 1 1.826 0.02 . 1 . . . . 43 I HB . 16266 1 402 . 1 1 43 43 ILE HD11 H 1 0.158 0.02 . 1 . . . . 43 I HD11 . 16266 1 403 . 1 1 43 43 ILE HD12 H 1 0.158 0.02 . 1 . . . . 43 I HD11 . 16266 1 404 . 1 1 43 43 ILE HD13 H 1 0.158 0.02 . 1 . . . . 43 I HD11 . 16266 1 405 . 1 1 43 43 ILE HG12 H 1 0.696 0.02 . 2 . . . . 43 I HG11 . 16266 1 406 . 1 1 43 43 ILE HG21 H 1 0.760 0.02 . 1 . . . . 43 I HG21 . 16266 1 407 . 1 1 43 43 ILE HG22 H 1 0.760 0.02 . 1 . . . . 43 I HG21 . 16266 1 408 . 1 1 43 43 ILE HG23 H 1 0.760 0.02 . 1 . . . . 43 I HG21 . 16266 1 409 . 1 1 43 43 ILE C C 13 174.219 0.3 . 1 . . . . 43 I C . 16266 1 410 . 1 1 43 43 ILE CA C 13 64.505 0.3 . 1 . . . . 43 I CA . 16266 1 411 . 1 1 43 43 ILE CB C 13 36.595 0.3 . 1 . . . . 43 I CB . 16266 1 412 . 1 1 43 43 ILE CD1 C 13 14.024 0.3 . 1 . . . . 43 I CD1 . 16266 1 413 . 1 1 43 43 ILE CG1 C 13 21.645 0.3 . 1 . . . . 43 I CG1 . 16266 1 414 . 1 1 43 43 ILE CG2 C 13 16.704 0.3 . 1 . . . . 43 I CG2 . 16266 1 415 . 1 1 43 43 ILE N N 15 121.001 0.3 . 1 . . . . 43 I N . 16266 1 416 . 1 1 44 44 VAL H H 1 6.154 0.02 . 1 . . . . 44 V HN . 16266 1 417 . 1 1 44 44 VAL HA H 1 3.497 0.02 . 1 . . . . 44 V HA . 16266 1 418 . 1 1 44 44 VAL HB H 1 1.733 0.02 . 1 . . . . 44 V HB . 16266 1 419 . 1 1 44 44 VAL HG11 H 1 0.595 0.02 . 2 . . . . 44 V HG11 . 16266 1 420 . 1 1 44 44 VAL HG12 H 1 0.595 0.02 . 2 . . . . 44 V HG11 . 16266 1 421 . 1 1 44 44 VAL HG13 H 1 0.595 0.02 . 2 . . . . 44 V HG11 . 16266 1 422 . 1 1 44 44 VAL HG21 H 1 0.168 0.02 . 2 . . . . 44 V HG21 . 16266 1 423 . 1 1 44 44 VAL HG22 H 1 0.168 0.02 . 2 . . . . 44 V HG21 . 16266 1 424 . 1 1 44 44 VAL HG23 H 1 0.168 0.02 . 2 . . . . 44 V HG21 . 16266 1 425 . 1 1 44 44 VAL C C 13 176.282 0.3 . 1 . . . . 44 V C . 16266 1 426 . 1 1 44 44 VAL CA C 13 63.606 0.3 . 1 . . . . 44 V CA . 16266 1 427 . 1 1 44 44 VAL CB C 13 30.614 0.3 . 1 . . . . 44 V CB . 16266 1 428 . 1 1 44 44 VAL CG1 C 13 21.449 0.3 . 2 . . . . 44 V CG1 . 16266 1 429 . 1 1 44 44 VAL CG2 C 13 18.484 0.3 . 2 . . . . 44 V CG2 . 16266 1 430 . 1 1 44 44 VAL N N 15 110.500 0.3 . 1 . . . . 44 V N . 16266 1 431 . 1 1 45 45 TRP H H 1 7.419 0.02 . 1 . . . . 45 W HN . 16266 1 432 . 1 1 45 45 TRP HA H 1 4.716 0.02 . 1 . . . . 45 W HA . 16266 1 433 . 1 1 45 45 TRP HB2 H 1 3.381 0.02 . 2 . . . . 45 W HB1 . 16266 1 434 . 1 1 45 45 TRP HB3 H 1 3.306 0.02 . 2 . . . . 45 W HB2 . 16266 1 435 . 1 1 45 45 TRP HD1 H 1 7.471 0.02 . 1 . . . . 45 W HD1 . 16266 1 436 . 1 1 45 45 TRP HE3 H 1 7.729 0.02 . 1 . . . . 45 W HE3 . 16266 1 437 . 1 1 45 45 TRP HZ3 H 1 6.866 0.02 . 1 . . . . 45 W HZ3 . 16266 1 438 . 1 1 45 45 TRP C C 13 175.422 0.3 . 1 . . . . 45 W C . 16266 1 439 . 1 1 45 45 TRP CA C 13 56.188 0.3 . 1 . . . . 45 W CA . 16266 1 440 . 1 1 45 45 TRP CB C 13 31.245 0.3 . 1 . . . . 45 W CB . 16266 1 441 . 1 1 45 45 TRP N N 15 118.601 0.3 . 1 . . . . 45 W N . 16266 1 442 . 1 1 46 46 HIS H H 1 7.582 0.02 . 1 . . . . 46 H HN . 16266 1 443 . 1 1 46 46 HIS HA H 1 4.227 0.02 . 1 . . . . 46 H HA . 16266 1 444 . 1 1 46 46 HIS HB2 H 1 3.027 0.02 . 2 . . . . 46 H HB1 . 16266 1 445 . 1 1 46 46 HIS HB3 H 1 2.938 0.02 . 2 . . . . 46 H HB2 . 16266 1 446 . 1 1 46 46 HIS HD2 H 1 6.784 0.02 . 1 . . . . 46 H HD2 . 16266 1 447 . 1 1 46 46 HIS HE1 H 1 7.384 0.02 . 1 . . . . 46 H HE1 . 16266 1 448 . 1 1 46 46 HIS C C 13 177.485 0.3 . 1 . . . . 46 H C . 16266 1 449 . 1 1 46 46 HIS CA C 13 56.799 0.3 . 1 . . . . 46 H CA . 16266 1 450 . 1 1 46 46 HIS CB C 13 32.017 0.3 . 1 . . . . 46 H CB . 16266 1 451 . 1 1 46 46 HIS N N 15 122.648 0.3 . 1 . . . . 46 H N . 16266 1 452 . 1 1 47 47 GLU H H 1 7.948 0.02 . 1 . . . . 47 E HN . 16266 1 453 . 1 1 47 47 GLU HA H 1 4.098 0.02 . 1 . . . . 47 E HA . 16266 1 454 . 1 1 47 47 GLU HB2 H 1 2.228 0.02 . 2 . . . . 47 E HB1 . 16266 1 455 . 1 1 47 47 GLU HG2 H 1 2.358 0.02 . 2 . . . . 47 E HG1 . 16266 1 456 . 1 1 47 47 GLU HG3 H 1 2.060 0.02 . 2 . . . . 47 E HG2 . 16266 1 457 . 1 1 47 47 GLU C C 13 175.596 0.3 . 1 . . . . 47 E C . 16266 1 458 . 1 1 47 47 GLU CA C 13 56.482 0.3 . 1 . . . . 47 E CA . 16266 1 459 . 1 1 47 47 GLU CB C 13 31.839 0.3 . 1 . . . . 47 E CB . 16266 1 460 . 1 1 47 47 GLU CG C 13 37.291 0.3 . 1 . . . . 47 E CG . 16266 1 461 . 1 1 47 47 GLU N N 15 120.485 0.3 . 1 . . . . 47 E N . 16266 1 462 . 1 1 48 48 LEU H H 1 9.304 0.02 . 1 . . . . 48 L HN . 16266 1 463 . 1 1 48 48 LEU HA H 1 4.218 0.02 . 1 . . . . 48 L HA . 16266 1 464 . 1 1 48 48 LEU HB2 H 1 1.583 0.02 . 2 . . . . 48 L HB1 . 16266 1 465 . 1 1 48 48 LEU HB3 H 1 1.116 0.02 . 2 . . . . 48 L HB2 . 16266 1 466 . 1 1 48 48 LEU HD11 H 1 0.671 0.02 . 2 . . . . 48 L HD11 . 16266 1 467 . 1 1 48 48 LEU HD12 H 1 0.671 0.02 . 2 . . . . 48 L HD11 . 16266 1 468 . 1 1 48 48 LEU HD13 H 1 0.671 0.02 . 2 . . . . 48 L HD11 . 16266 1 469 . 1 1 48 48 LEU HD21 H 1 0.035 0.02 . 2 . . . . 48 L HD21 . 16266 1 470 . 1 1 48 48 LEU HD22 H 1 0.035 0.02 . 2 . . . . 48 L HD21 . 16266 1 471 . 1 1 48 48 LEU HD23 H 1 0.035 0.02 . 2 . . . . 48 L HD21 . 16266 1 472 . 1 1 48 48 LEU C C 13 177.743 0.3 . 1 . . . . 48 L C . 16266 1 473 . 1 1 48 48 LEU CA C 13 55.043 0.3 . 1 . . . . 48 L CA . 16266 1 474 . 1 1 48 48 LEU CB C 13 41.948 0.3 . 1 . . . . 48 L CB . 16266 1 475 . 1 1 48 48 LEU CD1 C 13 26.496 0.3 . 2 . . . . 48 L CD1 . 16266 1 476 . 1 1 48 48 LEU CD2 C 13 20.851 0.3 . 2 . . . . 48 L CD2 . 16266 1 477 . 1 1 48 48 LEU N N 15 128.658 0.3 . 1 . . . . 48 L N . 16266 1 478 . 1 1 49 49 ILE H H 1 8.028 0.02 . 1 . . . . 49 I HN . 16266 1 479 . 1 1 49 49 ILE HA H 1 3.279 0.02 . 1 . . . . 49 I HA . 16266 1 480 . 1 1 49 49 ILE HB H 1 1.775 0.02 . 1 . . . . 49 I HB . 16266 1 481 . 1 1 49 49 ILE HD11 H 1 1.077 0.02 . 1 . . . . 49 I HD11 . 16266 1 482 . 1 1 49 49 ILE HD12 H 1 1.077 0.02 . 1 . . . . 49 I HD11 . 16266 1 483 . 1 1 49 49 ILE HD13 H 1 1.077 0.02 . 1 . . . . 49 I HD11 . 16266 1 484 . 1 1 49 49 ILE HG12 H 1 0.431 0.02 . 2 . . . . 49 I HG11 . 16266 1 485 . 1 1 49 49 ILE HG21 H 1 0.579 0.02 . 1 . . . . 49 I HG21 . 16266 1 486 . 1 1 49 49 ILE HG22 H 1 0.579 0.02 . 1 . . . . 49 I HG21 . 16266 1 487 . 1 1 49 49 ILE HG23 H 1 0.579 0.02 . 1 . . . . 49 I HG21 . 16266 1 488 . 1 1 49 49 ILE C C 13 174.821 0.3 . 1 . . . . 49 I C . 16266 1 489 . 1 1 49 49 ILE CA C 13 63.901 0.3 . 1 . . . . 49 I CA . 16266 1 490 . 1 1 49 49 ILE CB C 13 37.775 0.3 . 1 . . . . 49 I CB . 16266 1 491 . 1 1 49 49 ILE CD1 C 13 14.321 0.3 . 1 . . . . 49 I CD1 . 16266 1 492 . 1 1 49 49 ILE CG1 C 13 30.057 0.3 . 1 . . . . 49 I CG1 . 16266 1 493 . 1 1 49 49 ILE CG2 C 13 17.594 0.3 . 1 . . . . 49 I CG2 . 16266 1 494 . 1 1 49 49 ILE N N 15 120.341 0.3 . 1 . . . . 49 I N . 16266 1 495 . 1 1 50 50 GLY H H 1 9.038 0.02 . 1 . . . . 50 G HN . 16266 1 496 . 1 1 50 50 GLY HA2 H 1 4.717 0.02 . 2 . . . . 50 G HA1 . 16266 1 497 . 1 1 50 50 GLY HA3 H 1 3.491 0.02 . 2 . . . . 50 G HA2 . 16266 1 498 . 1 1 50 50 GLY C C 13 175.084 0.3 . 1 . . . . 50 G C . 16266 1 499 . 1 1 50 50 GLY CA C 13 44.599 0.3 . 1 . . . . 50 G CA . 16266 1 500 . 1 1 50 50 GLY N N 15 110.284 0.3 . 1 . . . . 50 G N . 16266 1 501 . 1 1 51 51 LEU H H 1 8.400 0.02 . 1 . . . . 51 L HN . 16266 1 502 . 1 1 51 51 LEU HA H 1 4.723 0.02 . 1 . . . . 51 L HA . 16266 1 503 . 1 1 51 51 LEU HB2 H 1 2.230 0.02 . 2 . . . . 51 L HB1 . 16266 1 504 . 1 1 51 51 LEU HB3 H 1 1.542 0.02 . 2 . . . . 51 L HB2 . 16266 1 505 . 1 1 51 51 LEU HD11 H 1 0.513 0.02 . 2 . . . . 51 L HD11 . 16266 1 506 . 1 1 51 51 LEU HD12 H 1 0.513 0.02 . 2 . . . . 51 L HD11 . 16266 1 507 . 1 1 51 51 LEU HD13 H 1 0.513 0.02 . 2 . . . . 51 L HD11 . 16266 1 508 . 1 1 51 51 LEU HD21 H 1 0.194 0.02 . 2 . . . . 51 L HD21 . 16266 1 509 . 1 1 51 51 LEU HD22 H 1 0.194 0.02 . 2 . . . . 51 L HD21 . 16266 1 510 . 1 1 51 51 LEU HD23 H 1 0.194 0.02 . 2 . . . . 51 L HD21 . 16266 1 511 . 1 1 51 51 LEU HG H 1 1.308 0.02 . 1 . . . . 51 L HG . 16266 1 512 . 1 1 51 51 LEU C C 13 177.147 0.3 . 1 . . . . 51 L C . 16266 1 513 . 1 1 51 51 LEU CA C 13 54.350 0.3 . 1 . . . . 51 L CA . 16266 1 514 . 1 1 51 51 LEU CB C 13 42.985 0.3 . 1 . . . . 51 L CB . 16266 1 515 . 1 1 51 51 LEU CD1 C 13 26.335 0.3 . 2 . . . . 51 L CD1 . 16266 1 516 . 1 1 51 51 LEU CD2 C 13 21.350 0.3 . 2 . . . . 51 L CD2 . 16266 1 517 . 1 1 51 51 LEU CG C 13 26.611 0.3 . 1 . . . . 51 L CG . 16266 1 518 . 1 1 51 51 LEU N N 15 120.471 0.3 . 1 . . . . 51 L N . 16266 1 519 . 1 1 52 52 LYS H H 1 7.505 0.02 . 1 . . . . 52 K HN . 16266 1 520 . 1 1 52 52 LYS HA H 1 4.250 0.02 . 1 . . . . 52 K HA . 16266 1 521 . 1 1 52 52 LYS HB2 H 1 1.769 0.02 . 2 . . . . 52 K HB1 . 16266 1 522 . 1 1 52 52 LYS HB3 H 1 1.493 0.02 . 2 . . . . 52 K HB2 . 16266 1 523 . 1 1 52 52 LYS HD2 H 1 1.399 0.02 . 2 . . . . 52 K HD1 . 16266 1 524 . 1 1 52 52 LYS HE2 H 1 2.738 0.02 . 2 . . . . 52 K HE1 . 16266 1 525 . 1 1 52 52 LYS HE3 H 1 2.807 0.02 . 2 . . . . 52 K HE2 . 16266 1 526 . 1 1 52 52 LYS HG2 H 1 1.032 0.02 . 2 . . . . 52 K HG1 . 16266 1 527 . 1 1 52 52 LYS C C 13 174.995 0.3 . 1 . . . . 52 K C . 16266 1 528 . 1 1 52 52 LYS CA C 13 55.589 0.3 . 1 . . . . 52 K CA . 16266 1 529 . 1 1 52 52 LYS CB C 13 33.025 0.3 . 1 . . . . 52 K CB . 16266 1 530 . 1 1 52 52 LYS CD C 13 28.581 0.3 . 1 . . . . 52 K CD . 16266 1 531 . 1 1 52 52 LYS CE C 13 41.919 0.3 . 1 . . . . 52 K CE . 16266 1 532 . 1 1 52 52 LYS CG C 13 25.011 0.3 . 1 . . . . 52 K CG . 16266 1 533 . 1 1 52 52 LYS N N 15 122.406 0.3 . 1 . . . . 52 K N . 16266 1 534 . 1 1 53 53 VAL H H 1 9.075 0.02 . 1 . . . . 53 V HN . 16266 1 535 . 1 1 53 53 VAL HA H 1 5.071 0.02 . 1 . . . . 53 V HA . 16266 1 536 . 1 1 53 53 VAL HB H 1 1.538 0.02 . 1 . . . . 53 V HB . 16266 1 537 . 1 1 53 53 VAL HG11 H 1 -0.021 0.02 . 2 . . . . 53 V HG11 . 16266 1 538 . 1 1 53 53 VAL HG12 H 1 -0.021 0.02 . 2 . . . . 53 V HG11 . 16266 1 539 . 1 1 53 53 VAL HG13 H 1 -0.021 0.02 . 2 . . . . 53 V HG11 . 16266 1 540 . 1 1 53 53 VAL HG21 H 1 0.520 0.02 . 2 . . . . 53 V HG21 . 16266 1 541 . 1 1 53 53 VAL HG22 H 1 0.520 0.02 . 2 . . . . 53 V HG21 . 16266 1 542 . 1 1 53 53 VAL HG23 H 1 0.520 0.02 . 2 . . . . 53 V HG21 . 16266 1 543 . 1 1 53 53 VAL C C 13 171.170 0.3 . 1 . . . . 53 V C . 16266 1 544 . 1 1 53 53 VAL CA C 13 58.523 0.3 . 1 . . . . 53 V CA . 16266 1 545 . 1 1 53 53 VAL CB C 13 35.698 0.3 . 1 . . . . 53 V CB . 16266 1 546 . 1 1 53 53 VAL CG1 C 13 23.369 0.3 . 2 . . . . 53 V CG1 . 16266 1 547 . 1 1 53 53 VAL CG2 C 13 20.557 0.3 . 2 . . . . 53 V CG2 . 16266 1 548 . 1 1 53 53 VAL N N 15 124.509 0.3 . 1 . . . . 53 V N . 16266 1 549 . 1 1 54 54 ARG H H 1 8.148 0.02 . 1 . . . . 54 R HN . 16266 1 550 . 1 1 54 54 ARG HA H 1 5.329 0.02 . 1 . . . . 54 R HA . 16266 1 551 . 1 1 54 54 ARG HB2 H 1 1.722 0.02 . 2 . . . . 54 R HB1 . 16266 1 552 . 1 1 54 54 ARG HB3 H 1 1.633 0.02 . 2 . . . . 54 R HB2 . 16266 1 553 . 1 1 54 54 ARG HD2 H 1 3.195 0.02 . 2 . . . . 54 R HD1 . 16266 1 554 . 1 1 54 54 ARG HD3 H 1 3.091 0.02 . 2 . . . . 54 R HD2 . 16266 1 555 . 1 1 54 54 ARG HG2 H 1 1.427 0.02 . 2 . . . . 54 R HG1 . 16266 1 556 . 1 1 54 54 ARG HG3 H 1 1.380 0.02 . 2 . . . . 54 R HG2 . 16266 1 557 . 1 1 54 54 ARG C C 13 176.113 0.3 . 1 . . . . 54 R C . 16266 1 558 . 1 1 54 54 ARG CA C 13 53.817 0.3 . 1 . . . . 54 R CA . 16266 1 559 . 1 1 54 54 ARG CB C 13 34.511 0.3 . 1 . . . . 54 R CB . 16266 1 560 . 1 1 54 54 ARG CD C 13 43.122 0.3 . 1 . . . . 54 R CD . 16266 1 561 . 1 1 54 54 ARG CG C 13 27.685 0.3 . 1 . . . . 54 R CG . 16266 1 562 . 1 1 54 54 ARG N N 15 123.625 0.3 . 1 . . . . 54 R N . 16266 1 563 . 1 1 55 55 VAL H H 1 8.659 0.02 . 1 . . . . 55 V HN . 16266 1 564 . 1 1 55 55 VAL HA H 1 4.085 0.02 . 1 . . . . 55 V HA . 16266 1 565 . 1 1 55 55 VAL HB H 1 2.408 0.02 . 1 . . . . 55 V HB . 16266 1 566 . 1 1 55 55 VAL HG11 H 1 0.626 0.02 . 2 . . . . 55 V HG11 . 16266 1 567 . 1 1 55 55 VAL HG12 H 1 0.626 0.02 . 2 . . . . 55 V HG11 . 16266 1 568 . 1 1 55 55 VAL HG13 H 1 0.626 0.02 . 2 . . . . 55 V HG11 . 16266 1 569 . 1 1 55 55 VAL HG21 H 1 0.829 0.02 . 2 . . . . 55 V HG21 . 16266 1 570 . 1 1 55 55 VAL HG22 H 1 0.829 0.02 . 2 . . . . 55 V HG21 . 16266 1 571 . 1 1 55 55 VAL HG23 H 1 0.829 0.02 . 2 . . . . 55 V HG21 . 16266 1 572 . 1 1 55 55 VAL C C 13 176.282 0.3 . 1 . . . . 55 V C . 16266 1 573 . 1 1 55 55 VAL CA C 13 62.814 0.3 . 1 . . . . 55 V CA . 16266 1 574 . 1 1 55 55 VAL CB C 13 30.628 0.3 . 1 . . . . 55 V CB . 16266 1 575 . 1 1 55 55 VAL CG1 C 13 22.338 0.3 . 2 . . . . 55 V CG1 . 16266 1 576 . 1 1 55 55 VAL CG2 C 13 21.027 0.3 . 2 . . . . 55 V CG2 . 16266 1 577 . 1 1 55 55 VAL N N 15 125.383 0.3 . 1 . . . . 55 V N . 16266 1 578 . 1 1 56 56 VAL H H 1 8.057 0.02 . 1 . . . . 56 V HN . 16266 1 579 . 1 1 56 56 VAL HA H 1 4.123 0.02 . 1 . . . . 56 V HA . 16266 1 580 . 1 1 56 56 VAL HB H 1 2.012 0.02 . 1 . . . . 56 V HB . 16266 1 581 . 1 1 56 56 VAL HG11 H 1 0.850 0.02 . 2 . . . . 56 V HG11 . 16266 1 582 . 1 1 56 56 VAL HG12 H 1 0.850 0.02 . 2 . . . . 56 V HG11 . 16266 1 583 . 1 1 56 56 VAL HG13 H 1 0.850 0.02 . 2 . . . . 56 V HG11 . 16266 1 584 . 1 1 56 56 VAL HG21 H 1 0.751 0.02 . 2 . . . . 56 V HG21 . 16266 1 585 . 1 1 56 56 VAL HG22 H 1 0.751 0.02 . 2 . . . . 56 V HG21 . 16266 1 586 . 1 1 56 56 VAL HG23 H 1 0.751 0.02 . 2 . . . . 56 V HG21 . 16266 1 587 . 1 1 56 56 VAL C C 13 175.426 0.3 . 1 . . . . 56 V C . 16266 1 588 . 1 1 56 56 VAL CA C 13 62.786 0.3 . 1 . . . . 56 V CA . 16266 1 589 . 1 1 56 56 VAL CB C 13 32.267 0.3 . 1 . . . . 56 V CB . 16266 1 590 . 1 1 56 56 VAL CG1 C 13 22.042 0.3 . 2 . . . . 56 V CG1 . 16266 1 591 . 1 1 56 56 VAL CG2 C 13 20.262 0.3 . 2 . . . . 56 V CG2 . 16266 1 592 . 1 1 56 56 VAL N N 15 124.936 0.3 . 1 . . . . 56 V N . 16266 1 593 . 1 1 57 57 ASN H H 1 7.527 0.02 . 1 . . . . 57 N HN . 16266 1 594 . 1 1 57 57 ASN HA H 1 4.817 0.02 . 1 . . . . 57 N HA . 16266 1 595 . 1 1 57 57 ASN HB2 H 1 2.600 0.02 . 2 . . . . 57 N HB1 . 16266 1 596 . 1 1 57 57 ASN HB3 H 1 2.538 0.02 . 2 . . . . 57 N HB2 . 16266 1 597 . 1 1 57 57 ASN C C 13 172.973 0.3 . 1 . . . . 57 N C . 16266 1 598 . 1 1 57 57 ASN CA C 13 52.460 0.3 . 1 . . . . 57 N CA . 16266 1 599 . 1 1 57 57 ASN CB C 13 42.070 0.3 . 1 . . . . 57 N CB . 16266 1 600 . 1 1 57 57 ASN N N 15 114.777 0.3 . 1 . . . . 57 N N . 16266 1 601 . 1 1 58 58 SER H H 1 8.193 0.02 . 1 . . . . 58 S HN . 16266 1 602 . 1 1 58 58 SER HA H 1 5.214 0.02 . 1 . . . . 58 S HA . 16266 1 603 . 1 1 58 58 SER HB2 H 1 3.943 0.02 . 2 . . . . 58 S HB1 . 16266 1 604 . 1 1 58 58 SER HB3 H 1 3.635 0.02 . 2 . . . . 58 S HB2 . 16266 1 605 . 1 1 58 58 SER C C 13 174.221 0.3 . 1 . . . . 58 S C . 16266 1 606 . 1 1 58 58 SER CA C 13 56.778 0.3 . 1 . . . . 58 S CA . 16266 1 607 . 1 1 58 58 SER CB C 13 63.906 0.3 . 1 . . . . 58 S CB . 16266 1 608 . 1 1 58 58 SER N N 15 115.531 0.3 . 1 . . . . 58 S N . 16266 1 609 . 1 1 59 59 THR H H 1 8.053 0.02 . 1 . . . . 59 T HN . 16266 1 610 . 1 1 59 59 THR HA H 1 4.305 0.02 . 1 . . . . 59 T HA . 16266 1 611 . 1 1 59 59 THR HB H 1 4.421 0.02 . 1 . . . . 59 T HB . 16266 1 612 . 1 1 59 59 THR HG21 H 1 1.301 0.02 . 1 . . . . 59 T HG21 . 16266 1 613 . 1 1 59 59 THR HG22 H 1 1.301 0.02 . 1 . . . . 59 T HG21 . 16266 1 614 . 1 1 59 59 THR HG23 H 1 1.301 0.02 . 1 . . . . 59 T HG21 . 16266 1 615 . 1 1 59 59 THR C C 13 174.478 0.3 . 1 . . . . 59 T C . 16266 1 616 . 1 1 59 59 THR CA C 13 63.305 0.3 . 1 . . . . 59 T CA . 16266 1 617 . 1 1 59 59 THR CB C 13 68.354 0.3 . 1 . . . . 59 T CB . 16266 1 618 . 1 1 59 59 THR CG2 C 13 22.339 0.3 . 1 . . . . 59 T CG2 . 16266 1 619 . 1 1 59 59 THR N N 15 116.405 0.3 . 1 . . . . 59 T N . 16266 1 620 . 1 1 60 60 HIS H H 1 8.359 0.02 . 1 . . . . 60 H HN . 16266 1 621 . 1 1 60 60 HIS HA H 1 5.167 0.02 . 1 . . . . 60 H HA . 16266 1 622 . 1 1 60 60 HIS HB2 H 1 3.072 0.02 . 2 . . . . 60 H HB1 . 16266 1 623 . 1 1 60 60 HIS HB3 H 1 2.948 0.02 . 2 . . . . 60 H HB2 . 16266 1 624 . 1 1 60 60 HIS HD2 H 1 7.084 0.02 . 1 . . . . 60 H HD2 . 16266 1 625 . 1 1 60 60 HIS HE1 H 1 6.740 0.02 . 1 . . . . 60 H HE1 . 16266 1 626 . 1 1 60 60 HIS CA C 13 52.792 0.3 . 1 . . . . 60 H CA . 16266 1 627 . 1 1 60 60 HIS CB C 13 32.142 0.3 . 1 . . . . 60 H CB . 16266 1 628 . 1 1 60 60 HIS N N 15 123.625 0.3 . 1 . . . . 60 H N . 16266 1 629 . 1 1 61 61 PRO HA H 1 4.277 0.02 . 1 . . . . 61 P HA . 16266 1 630 . 1 1 61 61 PRO HB2 H 1 2.367 0.02 . 2 . . . . 61 P HB1 . 16266 1 631 . 1 1 61 61 PRO HB3 H 1 1.921 0.02 . 2 . . . . 61 P HB2 . 16266 1 632 . 1 1 61 61 PRO HD2 H 1 3.572 0.02 . 2 . . . . 61 P HD1 . 16266 1 633 . 1 1 61 61 PRO HD3 H 1 3.905 0.02 . 2 . . . . 61 P HD2 . 16266 1 634 . 1 1 61 61 PRO HG2 H 1 1.971 0.02 . 2 . . . . 61 P HG1 . 16266 1 635 . 1 1 61 61 PRO HG3 H 1 1.865 0.02 . 2 . . . . 61 P HG2 . 16266 1 636 . 1 1 61 61 PRO C C 13 178.217 0.3 . 1 . . . . 61 P C . 16266 1 637 . 1 1 61 61 PRO CA C 13 64.375 0.3 . 1 . . . . 61 P CA . 16266 1 638 . 1 1 61 61 PRO CB C 13 32.007 0.3 . 1 . . . . 61 P CB . 16266 1 639 . 1 1 61 61 PRO CD C 13 51.132 0.3 . 1 . . . . 61 P CD . 16266 1 640 . 1 1 61 61 PRO CG C 13 27.386 0.3 . 1 . . . . 61 P CG . 16266 1 641 . 1 1 62 62 GLY H H 1 8.421 0.02 . 1 . . . . 62 G HN . 16266 1 642 . 1 1 62 62 GLY HA2 H 1 3.889 0.02 . 2 . . . . 62 G HA1 . 16266 1 643 . 1 1 62 62 GLY HA3 H 1 3.653 0.02 . 2 . . . . 62 G HA2 . 16266 1 644 . 1 1 62 62 GLY C C 13 174.994 0.3 . 1 . . . . 62 G C . 16266 1 645 . 1 1 62 62 GLY CA C 13 45.831 0.3 . 1 . . . . 62 G CA . 16266 1 646 . 1 1 62 62 GLY N N 15 106.132 0.3 . 1 . . . . 62 G N . 16266 1 647 . 1 1 63 63 TYR H H 1 7.327 0.02 . 1 . . . . 63 Y HN . 16266 1 648 . 1 1 63 63 TYR HA H 1 4.846 0.02 . 1 . . . . 63 Y HA . 16266 1 649 . 1 1 63 63 TYR HB2 H 1 3.230 0.02 . 2 . . . . 63 Y HB1 . 16266 1 650 . 1 1 63 63 TYR HB3 H 1 2.750 0.02 . 2 . . . . 63 Y HB2 . 16266 1 651 . 1 1 63 63 TYR HD1 H 1 7.084 0.02 . 3 . . . . 63 Y HD1 . 16266 1 652 . 1 1 63 63 TYR C C 13 175.593 0.3 . 1 . . . . 63 Y C . 16266 1 653 . 1 1 63 63 TYR CA C 13 56.071 0.3 . 1 . . . . 63 Y CA . 16266 1 654 . 1 1 63 63 TYR CB C 13 38.962 0.3 . 1 . . . . 63 Y CB . 16266 1 655 . 1 1 63 63 TYR N N 15 116.628 0.3 . 1 . . . . 63 Y N . 16266 1 656 . 1 1 64 64 VAL H H 1 7.296 0.02 . 1 . . . . 64 V HN . 16266 1 657 . 1 1 64 64 VAL HA H 1 3.180 0.02 . 1 . . . . 64 V HA . 16266 1 658 . 1 1 64 64 VAL HB H 1 2.043 0.02 . 1 . . . . 64 V HB . 16266 1 659 . 1 1 64 64 VAL HG11 H 1 1.014 0.02 . 2 . . . . 64 V HG11 . 16266 1 660 . 1 1 64 64 VAL HG12 H 1 1.014 0.02 . 2 . . . . 64 V HG11 . 16266 1 661 . 1 1 64 64 VAL HG13 H 1 1.014 0.02 . 2 . . . . 64 V HG11 . 16266 1 662 . 1 1 64 64 VAL HG21 H 1 0.889 0.02 . 2 . . . . 64 V HG21 . 16266 1 663 . 1 1 64 64 VAL HG22 H 1 0.889 0.02 . 2 . . . . 64 V HG21 . 16266 1 664 . 1 1 64 64 VAL HG23 H 1 0.889 0.02 . 2 . . . . 64 V HG21 . 16266 1 665 . 1 1 64 64 VAL C C 13 177.312 0.3 . 1 . . . . 64 V C . 16266 1 666 . 1 1 64 64 VAL CA C 13 65.688 0.3 . 1 . . . . 64 V CA . 16266 1 667 . 1 1 64 64 VAL CB C 13 30.957 0.3 . 1 . . . . 64 V CB . 16266 1 668 . 1 1 64 64 VAL CG1 C 13 23.529 0.3 . 2 . . . . 64 V CG1 . 16266 1 669 . 1 1 64 64 VAL CG2 C 13 21.149 0.3 . 2 . . . . 64 V CG2 . 16266 1 670 . 1 1 64 64 VAL N N 15 117.940 0.3 . 1 . . . . 64 V N . 16266 1 671 . 1 1 65 65 GLY H H 1 8.449 0.02 . 1 . . . . 65 G HN . 16266 1 672 . 1 1 65 65 GLY HA2 H 1 4.320 0.02 . 2 . . . . 65 G HA1 . 16266 1 673 . 1 1 65 65 GLY HA3 H 1 3.515 0.02 . 2 . . . . 65 G HA2 . 16266 1 674 . 1 1 65 65 GLY C C 13 174.821 0.3 . 1 . . . . 65 G C . 16266 1 675 . 1 1 65 65 GLY CA C 13 44.599 0.3 . 1 . . . . 65 G CA . 16266 1 676 . 1 1 65 65 GLY N N 15 115.317 0.3 . 1 . . . . 65 G N . 16266 1 677 . 1 1 66 66 ILE H H 1 7.095 0.02 . 1 . . . . 66 I HN . 16266 1 678 . 1 1 66 66 ILE HA H 1 3.193 0.02 . 1 . . . . 66 I HA . 16266 1 679 . 1 1 66 66 ILE HB H 1 1.118 0.02 . 1 . . . . 66 I HB . 16266 1 680 . 1 1 66 66 ILE HD11 H 1 0.347 0.02 . 1 . . . . 66 I HD11 . 16266 1 681 . 1 1 66 66 ILE HD12 H 1 0.347 0.02 . 1 . . . . 66 I HD11 . 16266 1 682 . 1 1 66 66 ILE HD13 H 1 0.347 0.02 . 1 . . . . 66 I HD11 . 16266 1 683 . 1 1 66 66 ILE HG12 H 1 0.981 0.02 . 2 . . . . 66 I HG11 . 16266 1 684 . 1 1 66 66 ILE HG21 H 1 -0.024 0.02 . 1 . . . . 66 I HG21 . 16266 1 685 . 1 1 66 66 ILE HG22 H 1 -0.024 0.02 . 1 . . . . 66 I HG21 . 16266 1 686 . 1 1 66 66 ILE HG23 H 1 -0.024 0.02 . 1 . . . . 66 I HG21 . 16266 1 687 . 1 1 66 66 ILE C C 13 174.308 0.3 . 1 . . . . 66 I C . 16266 1 688 . 1 1 66 66 ILE CA C 13 63.470 0.3 . 1 . . . . 66 I CA . 16266 1 689 . 1 1 66 66 ILE CB C 13 37.775 0.3 . 1 . . . . 66 I CB . 16266 1 690 . 1 1 66 66 ILE CD1 C 13 15.212 0.3 . 1 . . . . 66 I CD1 . 16266 1 691 . 1 1 66 66 ILE CG1 C 13 27.691 0.3 . 1 . . . . 66 I CG1 . 16266 1 692 . 1 1 66 66 ILE CG2 C 13 16.399 0.3 . 1 . . . . 66 I CG2 . 16266 1 693 . 1 1 66 66 ILE N N 15 122.099 0.3 . 1 . . . . 66 I N . 16266 1 694 . 1 1 67 67 GLU H H 1 7.126 0.02 . 1 . . . . 67 E HN . 16266 1 695 . 1 1 67 67 GLU HA H 1 5.343 0.02 . 1 . . . . 67 E HA . 16266 1 696 . 1 1 67 67 GLU HB2 H 1 1.970 0.02 . 2 . . . . 67 E HB1 . 16266 1 697 . 1 1 67 67 GLU HG2 H 1 2.213 0.02 . 2 . . . . 67 E HG1 . 16266 1 698 . 1 1 67 67 GLU HG3 H 1 2.118 0.02 . 2 . . . . 67 E HG2 . 16266 1 699 . 1 1 67 67 GLU C C 13 174.652 0.3 . 1 . . . . 67 E C . 16266 1 700 . 1 1 67 67 GLU CA C 13 54.109 0.3 . 1 . . . . 67 E CA . 16266 1 701 . 1 1 67 67 GLU CB C 13 33.619 0.3 . 1 . . . . 67 E CB . 16266 1 702 . 1 1 67 67 GLU CG C 13 35.995 0.3 . 1 . . . . 67 E CG . 16266 1 703 . 1 1 67 67 GLU N N 15 125.164 0.3 . 1 . . . . 67 E N . 16266 1 704 . 1 1 68 68 GLY H H 1 8.401 0.02 . 1 . . . . 68 G HN . 16266 1 705 . 1 1 68 68 GLY HA2 H 1 4.364 0.02 . 2 . . . . 68 G HA1 . 16266 1 706 . 1 1 68 68 GLY HA3 H 1 4.041 0.02 . 2 . . . . 68 G HA2 . 16266 1 707 . 1 1 68 68 GLY C C 13 171.644 0.3 . 1 . . . . 68 G C . 16266 1 708 . 1 1 68 68 GLY CA C 13 45.680 0.3 . 1 . . . . 68 G CA . 16266 1 709 . 1 1 68 68 GLY N N 15 109.626 0.3 . 1 . . . . 68 G N . 16266 1 710 . 1 1 69 69 TYR H H 1 8.422 0.02 . 1 . . . . 69 Y HN . 16266 1 711 . 1 1 69 69 TYR HA H 1 5.079 0.02 . 1 . . . . 69 Y HA . 16266 1 712 . 1 1 69 69 TYR HB2 H 1 2.265 0.02 . 2 . . . . 69 Y HB1 . 16266 1 713 . 1 1 69 69 TYR HD1 H 1 6.976 0.02 . 3 . . . . 69 Y HD1 . 16266 1 714 . 1 1 69 69 TYR C C 13 176.194 0.3 . 1 . . . . 69 Y C . 16266 1 715 . 1 1 69 69 TYR CA C 13 57.681 0.3 . 1 . . . . 69 Y CA . 16266 1 716 . 1 1 69 69 TYR CB C 13 41.043 0.3 . 1 . . . . 69 Y CB . 16266 1 717 . 1 1 69 69 TYR N N 15 119.689 0.3 . 1 . . . . 69 Y N . 16266 1 718 . 1 1 70 70 VAL H H 1 8.753 0.02 . 1 . . . . 70 V HN . 16266 1 719 . 1 1 70 70 VAL HA H 1 4.143 0.02 . 1 . . . . 70 V HA . 16266 1 720 . 1 1 70 70 VAL HB H 1 2.751 0.02 . 1 . . . . 70 V HB . 16266 1 721 . 1 1 70 70 VAL HG11 H 1 0.895 0.02 . 2 . . . . 70 V HG11 . 16266 1 722 . 1 1 70 70 VAL HG12 H 1 0.895 0.02 . 2 . . . . 70 V HG11 . 16266 1 723 . 1 1 70 70 VAL HG13 H 1 0.895 0.02 . 2 . . . . 70 V HG11 . 16266 1 724 . 1 1 70 70 VAL HG21 H 1 0.988 0.02 . 2 . . . . 70 V HG21 . 16266 1 725 . 1 1 70 70 VAL HG22 H 1 0.988 0.02 . 2 . . . . 70 V HG21 . 16266 1 726 . 1 1 70 70 VAL HG23 H 1 0.988 0.02 . 2 . . . . 70 V HG21 . 16266 1 727 . 1 1 70 70 VAL C C 13 176.540 0.3 . 1 . . . . 70 V C . 16266 1 728 . 1 1 70 70 VAL CA C 13 63.477 0.3 . 1 . . . . 70 V CA . 16266 1 729 . 1 1 70 70 VAL CB C 13 30.952 0.3 . 1 . . . . 70 V CB . 16266 1 730 . 1 1 70 70 VAL CG1 C 13 23.529 0.3 . 2 . . . . 70 V CG1 . 16266 1 731 . 1 1 70 70 VAL CG2 C 13 22.951 0.3 . 2 . . . . 70 V CG2 . 16266 1 732 . 1 1 70 70 VAL N N 15 123.420 0.3 . 1 . . . . 70 V N . 16266 1 733 . 1 1 71 71 ILE H H 1 9.101 0.02 . 1 . . . . 71 I HN . 16266 1 734 . 1 1 71 71 ILE HA H 1 4.834 0.02 . 1 . . . . 71 I HA . 16266 1 735 . 1 1 71 71 ILE HB H 1 2.002 0.02 . 1 . . . . 71 I HB . 16266 1 736 . 1 1 71 71 ILE HD11 H 1 0.680 0.02 . 1 . . . . 71 I HD11 . 16266 1 737 . 1 1 71 71 ILE HD12 H 1 0.680 0.02 . 1 . . . . 71 I HD11 . 16266 1 738 . 1 1 71 71 ILE HD13 H 1 0.680 0.02 . 1 . . . . 71 I HD11 . 16266 1 739 . 1 1 71 71 ILE HG12 H 1 1.003 0.02 . 2 . . . . 71 I HG11 . 16266 1 740 . 1 1 71 71 ILE HG21 H 1 0.475 0.02 . 1 . . . . 71 I HG21 . 16266 1 741 . 1 1 71 71 ILE HG22 H 1 0.475 0.02 . 1 . . . . 71 I HG21 . 16266 1 742 . 1 1 71 71 ILE HG23 H 1 0.475 0.02 . 1 . . . . 71 I HG21 . 16266 1 743 . 1 1 71 71 ILE C C 13 175.418 0.3 . 1 . . . . 71 I C . 16266 1 744 . 1 1 71 71 ILE CA C 13 60.637 0.3 . 1 . . . . 71 I CA . 16266 1 745 . 1 1 71 71 ILE CB C 13 39.853 0.3 . 1 . . . . 71 I CB . 16266 1 746 . 1 1 71 71 ILE CD1 C 13 15.507 0.3 . 1 . . . . 71 I CD1 . 16266 1 747 . 1 1 71 71 ILE CG1 C 13 26.349 0.3 . 1 . . . . 71 I CG1 . 16266 1 748 . 1 1 71 71 ILE CG2 C 13 18.780 0.3 . 1 . . . . 71 I CG2 . 16266 1 749 . 1 1 71 71 ILE N N 15 119.913 0.3 . 1 . . . . 71 I N . 16266 1 750 . 1 1 72 72 ASP H H 1 8.030 0.02 . 1 . . . . 72 D HN . 16266 1 751 . 1 1 72 72 ASP HA H 1 4.964 0.02 . 1 . . . . 72 D HA . 16266 1 752 . 1 1 72 72 ASP HB2 H 1 3.053 0.02 . 2 . . . . 72 D HB1 . 16266 1 753 . 1 1 72 72 ASP HB3 H 1 2.285 0.02 . 2 . . . . 72 D HB2 . 16266 1 754 . 1 1 72 72 ASP C C 13 173.017 0.3 . 1 . . . . 72 D C . 16266 1 755 . 1 1 72 72 ASP CA C 13 53.511 0.3 . 1 . . . . 72 D CA . 16266 1 756 . 1 1 72 72 ASP CB C 13 41.932 0.3 . 1 . . . . 72 D CB . 16266 1 757 . 1 1 72 72 ASP N N 15 118.377 0.3 . 1 . . . . 72 D N . 16266 1 758 . 1 1 73 73 GLU H H 1 9.349 0.02 . 1 . . . . 73 E HN . 16266 1 759 . 1 1 73 73 GLU HA H 1 4.868 0.02 . 1 . . . . 73 E HA . 16266 1 760 . 1 1 73 73 GLU HB2 H 1 1.862 0.02 . 2 . . . . 73 E HB1 . 16266 1 761 . 1 1 73 73 GLU HG2 H 1 2.270 0.02 . 2 . . . . 73 E HG1 . 16266 1 762 . 1 1 73 73 GLU C C 13 173.793 0.3 . 1 . . . . 73 E C . 16266 1 763 . 1 1 73 73 GLU CA C 13 55.521 0.3 . 1 . . . . 73 E CA . 16266 1 764 . 1 1 73 73 GLU CB C 13 33.138 0.3 . 1 . . . . 73 E CB . 16266 1 765 . 1 1 73 73 GLU CG C 13 35.918 0.3 . 1 . . . . 73 E CG . 16266 1 766 . 1 1 73 73 GLU N N 15 123.848 0.3 . 1 . . . . 73 E N . 16266 1 767 . 1 1 74 74 THR H H 1 8.748 0.02 . 1 . . . . 74 T HN . 16266 1 768 . 1 1 74 74 THR HA H 1 4.992 0.02 . 1 . . . . 74 T HA . 16266 1 769 . 1 1 74 74 THR HB H 1 4.799 0.02 . 1 . . . . 74 T HB . 16266 1 770 . 1 1 74 74 THR HG21 H 1 1.130 0.02 . 1 . . . . 74 T HG21 . 16266 1 771 . 1 1 74 74 THR HG22 H 1 1.130 0.02 . 1 . . . . 74 T HG21 . 16266 1 772 . 1 1 74 74 THR HG23 H 1 1.130 0.02 . 1 . . . . 74 T HG21 . 16266 1 773 . 1 1 74 74 THR CA C 13 59.450 0.3 . 1 . . . . 74 T CA . 16266 1 774 . 1 1 74 74 THR CB C 13 70.429 0.3 . 1 . . . . 74 T CB . 16266 1 775 . 1 1 74 74 THR CG2 C 13 21.455 0.3 . 1 . . . . 74 T CG2 . 16266 1 776 . 1 1 74 74 THR N N 15 116.628 0.3 . 1 . . . . 74 T N . 16266 1 777 . 1 1 75 75 ARG HA H 1 3.741 0.02 . 1 . . . . 75 R HA . 16266 1 778 . 1 1 75 75 ARG HB2 H 1 1.884 0.02 . 2 . . . . 75 R HB1 . 16266 1 779 . 1 1 75 75 ARG HD2 H 1 3.352 0.02 . 2 . . . . 75 R HD1 . 16266 1 780 . 1 1 75 75 ARG HG2 H 1 1.983 0.02 . 2 . . . . 75 R HG1 . 16266 1 781 . 1 1 75 75 ARG HG3 H 1 1.583 0.02 . 2 . . . . 75 R HG2 . 16266 1 782 . 1 1 75 75 ARG C C 13 177.140 0.3 . 1 . . . . 75 R C . 16266 1 783 . 1 1 75 75 ARG CA C 13 60.041 0.3 . 1 . . . . 75 R CA . 16266 1 784 . 1 1 75 75 ARG CB C 13 29.930 0.3 . 1 . . . . 75 R CB . 16266 1 785 . 1 1 75 75 ARG CD C 13 43.267 0.3 . 1 . . . . 75 R CD . 16266 1 786 . 1 1 75 75 ARG CG C 13 25.779 0.3 . 1 . . . . 75 R CG . 16266 1 787 . 1 1 76 76 ASN H H 1 8.497 0.02 . 1 . . . . 76 N HN . 16266 1 788 . 1 1 76 76 ASN HA H 1 5.310 0.02 . 1 . . . . 76 N HA . 16266 1 789 . 1 1 76 76 ASN HB2 H 1 2.938 0.02 . 2 . . . . 76 N HB1 . 16266 1 790 . 1 1 76 76 ASN HB3 H 1 2.637 0.02 . 2 . . . . 76 N HB2 . 16266 1 791 . 1 1 76 76 ASN C C 13 175.509 0.3 . 1 . . . . 76 N C . 16266 1 792 . 1 1 76 76 ASN CA C 13 52.320 0.3 . 1 . . . . 76 N CA . 16266 1 793 . 1 1 76 76 ASN CB C 13 40.744 0.3 . 1 . . . . 76 N CB . 16266 1 794 . 1 1 76 76 ASN N N 15 111.053 0.3 . 1 . . . . 76 N N . 16266 1 795 . 1 1 77 77 MET H H 1 7.528 0.02 . 1 . . . . 77 M HN . 16266 1 796 . 1 1 77 77 MET HA H 1 5.392 0.02 . 1 . . . . 77 M HA . 16266 1 797 . 1 1 77 77 MET HB2 H 1 1.999 0.02 . 2 . . . . 77 M HB1 . 16266 1 798 . 1 1 77 77 MET HB3 H 1 1.826 0.02 . 2 . . . . 77 M HB2 . 16266 1 799 . 1 1 77 77 MET HG2 H 1 2.405 0.02 . 2 . . . . 77 M HG1 . 16266 1 800 . 1 1 77 77 MET HG3 H 1 2.218 0.02 . 2 . . . . 77 M HG2 . 16266 1 801 . 1 1 77 77 MET C C 13 174.824 0.3 . 1 . . . . 77 M C . 16266 1 802 . 1 1 77 77 MET CA C 13 54.994 0.3 . 1 . . . . 77 M CA . 16266 1 803 . 1 1 77 77 MET CB C 13 36.753 0.3 . 1 . . . . 77 M CB . 16266 1 804 . 1 1 77 77 MET CG C 13 32.141 0.3 . 1 . . . . 77 M CG . 16266 1 805 . 1 1 77 77 MET N N 15 119.913 0.3 . 1 . . . . 77 M N . 16266 1 806 . 1 1 78 78 LEU H H 1 8.977 0.02 . 1 . . . . 78 L HN . 16266 1 807 . 1 1 78 78 LEU HA H 1 4.803 0.02 . 1 . . . . 78 L HA . 16266 1 808 . 1 1 78 78 LEU HB2 H 1 1.432 0.02 . 2 . . . . 78 L HB1 . 16266 1 809 . 1 1 78 78 LEU HB3 H 1 1.211 0.02 . 2 . . . . 78 L HB2 . 16266 1 810 . 1 1 78 78 LEU HD11 H 1 0.823 0.02 . 2 . . . . 78 L HD11 . 16266 1 811 . 1 1 78 78 LEU HD12 H 1 0.823 0.02 . 2 . . . . 78 L HD11 . 16266 1 812 . 1 1 78 78 LEU HD13 H 1 0.823 0.02 . 2 . . . . 78 L HD11 . 16266 1 813 . 1 1 78 78 LEU HD21 H 1 0.245 0.02 . 2 . . . . 78 L HD21 . 16266 1 814 . 1 1 78 78 LEU HD22 H 1 0.245 0.02 . 2 . . . . 78 L HD21 . 16266 1 815 . 1 1 78 78 LEU HD23 H 1 0.245 0.02 . 2 . . . . 78 L HD21 . 16266 1 816 . 1 1 78 78 LEU HG H 1 1.354 0.02 . 1 . . . . 78 L HG . 16266 1 817 . 1 1 78 78 LEU C C 13 174.563 0.3 . 1 . . . . 78 L C . 16266 1 818 . 1 1 78 78 LEU CA C 13 53.964 0.3 . 1 . . . . 78 L CA . 16266 1 819 . 1 1 78 78 LEU CB C 13 44.903 0.3 . 1 . . . . 78 L CB . 16266 1 820 . 1 1 78 78 LEU CD1 C 13 24.127 0.3 . 2 . . . . 78 L CD1 . 16266 1 821 . 1 1 78 78 LEU CD2 C 13 25.314 0.3 . 2 . . . . 78 L CD2 . 16266 1 822 . 1 1 78 78 LEU CG C 13 26.588 0.3 . 1 . . . . 78 L CG . 16266 1 823 . 1 1 78 78 LEU N N 15 121.224 0.3 . 1 . . . . 78 L N . 16266 1 824 . 1 1 79 79 VAL H H 1 8.115 0.02 . 1 . . . . 79 V HN . 16266 1 825 . 1 1 79 79 VAL HA H 1 4.783 0.02 . 1 . . . . 79 V HA . 16266 1 826 . 1 1 79 79 VAL HB H 1 1.665 0.02 . 1 . . . . 79 V HB . 16266 1 827 . 1 1 79 79 VAL HG11 H 1 0.194 0.02 . 2 . . . . 79 V HG11 . 16266 1 828 . 1 1 79 79 VAL HG12 H 1 0.194 0.02 . 2 . . . . 79 V HG11 . 16266 1 829 . 1 1 79 79 VAL HG13 H 1 0.194 0.02 . 2 . . . . 79 V HG11 . 16266 1 830 . 1 1 79 79 VAL HG21 H 1 0.759 0.02 . 2 . . . . 79 V HG21 . 16266 1 831 . 1 1 79 79 VAL HG22 H 1 0.759 0.02 . 2 . . . . 79 V HG21 . 16266 1 832 . 1 1 79 79 VAL HG23 H 1 0.759 0.02 . 2 . . . . 79 V HG21 . 16266 1 833 . 1 1 79 79 VAL C C 13 175.297 0.3 . 1 . . . . 79 V C . 16266 1 834 . 1 1 79 79 VAL CA C 13 61.821 0.3 . 1 . . . . 79 V CA . 16266 1 835 . 1 1 79 79 VAL CB C 13 31.146 0.3 . 1 . . . . 79 V CB . 16266 1 836 . 1 1 79 79 VAL CG1 C 13 21.151 0.3 . 2 . . . . 79 V CG1 . 16266 1 837 . 1 1 79 79 VAL CG2 C 13 19.975 0.3 . 2 . . . . 79 V CG2 . 16266 1 838 . 1 1 79 79 VAL N N 15 124.062 0.3 . 1 . . . . 79 V N . 16266 1 839 . 1 1 80 80 ILE H H 1 9.342 0.02 . 1 . . . . 80 I HN . 16266 1 840 . 1 1 80 80 ILE HA H 1 4.764 0.02 . 1 . . . . 80 I HA . 16266 1 841 . 1 1 80 80 ILE HB H 1 1.647 0.02 . 1 . . . . 80 I HB . 16266 1 842 . 1 1 80 80 ILE HD11 H 1 0.579 0.02 . 1 . . . . 80 I HD11 . 16266 1 843 . 1 1 80 80 ILE HD12 H 1 0.579 0.02 . 1 . . . . 80 I HD11 . 16266 1 844 . 1 1 80 80 ILE HD13 H 1 0.579 0.02 . 1 . . . . 80 I HD11 . 16266 1 845 . 1 1 80 80 ILE HG12 H 1 1.449 0.02 . 2 . . . . 80 I HG11 . 16266 1 846 . 1 1 80 80 ILE HG21 H 1 0.538 0.02 . 1 . . . . 80 I HG21 . 16266 1 847 . 1 1 80 80 ILE HG22 H 1 0.538 0.02 . 1 . . . . 80 I HG21 . 16266 1 848 . 1 1 80 80 ILE HG23 H 1 0.538 0.02 . 1 . . . . 80 I HG21 . 16266 1 849 . 1 1 80 80 ILE C C 13 174.127 0.3 . 1 . . . . 80 I C . 16266 1 850 . 1 1 80 80 ILE CA C 13 59.897 0.3 . 1 . . . . 80 I CA . 16266 1 851 . 1 1 80 80 ILE CB C 13 42.225 0.3 . 1 . . . . 80 I CB . 16266 1 852 . 1 1 80 80 ILE CD1 C 13 14.024 0.3 . 1 . . . . 80 I CD1 . 16266 1 853 . 1 1 80 80 ILE CG1 C 13 27.400 0.3 . 1 . . . . 80 I CG1 . 16266 1 854 . 1 1 80 80 ILE CG2 C 13 16.562 0.3 . 1 . . . . 80 I CG2 . 16266 1 855 . 1 1 80 80 ILE N N 15 129.970 0.3 . 1 . . . . 80 I N . 16266 1 856 . 1 1 81 81 ALA H H 1 9.478 0.02 . 1 . . . . 81 A HN . 16266 1 857 . 1 1 81 81 ALA HA H 1 5.139 0.02 . 1 . . . . 81 A HA . 16266 1 858 . 1 1 81 81 ALA HB1 H 1 1.366 0.02 . 1 . . . . 81 A HB1 . 16266 1 859 . 1 1 81 81 ALA HB2 H 1 1.366 0.02 . 1 . . . . 81 A HB1 . 16266 1 860 . 1 1 81 81 ALA HB3 H 1 1.366 0.02 . 1 . . . . 81 A HB1 . 16266 1 861 . 1 1 81 81 ALA C C 13 176.970 0.3 . 1 . . . . 81 A C . 16266 1 862 . 1 1 81 81 ALA CA C 13 50.835 0.3 . 1 . . . . 81 A CA . 16266 1 863 . 1 1 81 81 ALA CB C 13 21.451 0.3 . 1 . . . . 81 A CB . 16266 1 864 . 1 1 81 81 ALA N N 15 129.756 0.3 . 1 . . . . 81 A N . 16266 1 865 . 1 1 82 82 GLY H H 1 8.691 0.02 . 1 . . . . 82 G HN . 16266 1 866 . 1 1 82 82 GLY HA2 H 1 5.110 0.02 . 2 . . . . 82 G HA1 . 16266 1 867 . 1 1 82 82 GLY HA3 H 1 4.241 0.02 . 2 . . . . 82 G HA2 . 16266 1 868 . 1 1 82 82 GLY C C 13 173.017 0.3 . 1 . . . . 82 G C . 16266 1 869 . 1 1 82 82 GLY CA C 13 44.166 0.3 . 1 . . . . 82 G CA . 16266 1 870 . 1 1 82 82 GLY N N 15 113.568 0.3 . 1 . . . . 82 G N . 16266 1 871 . 1 1 83 83 GLU H H 1 8.659 0.02 . 1 . . . . 83 E HN . 16266 1 872 . 1 1 83 83 GLU HA H 1 4.286 0.02 . 1 . . . . 83 E HA . 16266 1 873 . 1 1 83 83 GLU HB2 H 1 2.166 0.02 . 2 . . . . 83 E HB1 . 16266 1 874 . 1 1 83 83 GLU HG2 H 1 2.507 0.02 . 2 . . . . 83 E HG1 . 16266 1 875 . 1 1 83 83 GLU HG3 H 1 2.461 0.02 . 2 . . . . 83 E HG2 . 16266 1 876 . 1 1 83 83 GLU C C 13 177.570 0.3 . 1 . . . . 83 E C . 16266 1 877 . 1 1 83 83 GLU CA C 13 59.017 0.3 . 1 . . . . 83 E CA . 16266 1 878 . 1 1 83 83 GLU CB C 13 29.762 0.3 . 1 . . . . 83 E CB . 16266 1 879 . 1 1 83 83 GLU CG C 13 36.293 0.3 . 1 . . . . 83 E CG . 16266 1 880 . 1 1 83 83 GLU N N 15 120.019 0.3 . 1 . . . . 83 E N . 16266 1 881 . 1 1 84 84 ASN H H 1 8.549 0.02 . 1 . . . . 84 N HN . 16266 1 882 . 1 1 84 84 ASN HA H 1 4.821 0.02 . 1 . . . . 84 N HA . 16266 1 883 . 1 1 84 84 ASN HB2 H 1 2.897 0.02 . 2 . . . . 84 N HB1 . 16266 1 884 . 1 1 84 84 ASN C C 13 173.878 0.3 . 1 . . . . 84 N C . 16266 1 885 . 1 1 84 84 ASN CA C 13 52.919 0.3 . 1 . . . . 84 N CA . 16266 1 886 . 1 1 84 84 ASN CB C 13 40.150 0.3 . 1 . . . . 84 N CB . 16266 1 887 . 1 1 84 84 ASN N N 15 112.778 0.3 . 1 . . . . 84 N N . 16266 1 888 . 1 1 85 85 LYS H H 1 7.116 0.02 . 1 . . . . 85 K HN . 16266 1 889 . 1 1 85 85 LYS HA H 1 4.344 0.02 . 1 . . . . 85 K HA . 16266 1 890 . 1 1 85 85 LYS HB2 H 1 1.058 0.02 . 2 . . . . 85 K HB1 . 16266 1 891 . 1 1 85 85 LYS HB3 H 1 0.914 0.02 . 2 . . . . 85 K HB2 . 16266 1 892 . 1 1 85 85 LYS HD2 H 1 1.395 0.02 . 2 . . . . 85 K HD1 . 16266 1 893 . 1 1 85 85 LYS HE2 H 1 2.800 0.02 . 2 . . . . 85 K HE1 . 16266 1 894 . 1 1 85 85 LYS HG2 H 1 0.820 0.02 . 2 . . . . 85 K HG1 . 16266 1 895 . 1 1 85 85 LYS C C 13 173.278 0.3 . 1 . . . . 85 K C . 16266 1 896 . 1 1 85 85 LYS CA C 13 55.292 0.3 . 1 . . . . 85 K CA . 16266 1 897 . 1 1 85 85 LYS CB C 13 36.124 0.3 . 1 . . . . 85 K CB . 16266 1 898 . 1 1 85 85 LYS CD C 13 28.818 0.3 . 1 . . . . 85 K CD . 16266 1 899 . 1 1 85 85 LYS CE C 13 41.928 0.3 . 1 . . . . 85 K CE . 16266 1 900 . 1 1 85 85 LYS CG C 13 23.960 0.3 . 1 . . . . 85 K CG . 16266 1 901 . 1 1 85 85 LYS N N 15 118.377 0.3 . 1 . . . . 85 K N . 16266 1 902 . 1 1 86 86 VAL H H 1 7.781 0.02 . 1 . . . . 86 V HN . 16266 1 903 . 1 1 86 86 VAL HA H 1 4.749 0.02 . 1 . . . . 86 V HA . 16266 1 904 . 1 1 86 86 VAL HB H 1 1.805 0.02 . 1 . . . . 86 V HB . 16266 1 905 . 1 1 86 86 VAL HG11 H 1 0.809 0.02 . 2 . . . . 86 V HG11 . 16266 1 906 . 1 1 86 86 VAL HG12 H 1 0.809 0.02 . 2 . . . . 86 V HG11 . 16266 1 907 . 1 1 86 86 VAL HG13 H 1 0.809 0.02 . 2 . . . . 86 V HG11 . 16266 1 908 . 1 1 86 86 VAL HG21 H 1 0.695 0.02 . 2 . . . . 86 V HG21 . 16266 1 909 . 1 1 86 86 VAL HG22 H 1 0.695 0.02 . 2 . . . . 86 V HG21 . 16266 1 910 . 1 1 86 86 VAL HG23 H 1 0.695 0.02 . 2 . . . . 86 V HG21 . 16266 1 911 . 1 1 86 86 VAL C C 13 174.739 0.3 . 1 . . . . 86 V C . 16266 1 912 . 1 1 86 86 VAL CA C 13 60.716 0.3 . 1 . . . . 86 V CA . 16266 1 913 . 1 1 86 86 VAL CB C 13 33.619 0.3 . 1 . . . . 86 V CB . 16266 1 914 . 1 1 86 86 VAL CG1 C 13 21.748 0.3 . 2 . . . . 86 V CG1 . 16266 1 915 . 1 1 86 86 VAL CG2 C 13 21.590 0.3 . 2 . . . . 86 V CG2 . 16266 1 916 . 1 1 86 86 VAL N N 15 120.127 0.3 . 1 . . . . 86 V N . 16266 1 917 . 1 1 87 87 TRP H H 1 9.558 0.02 . 1 . . . . 87 W HN . 16266 1 918 . 1 1 87 87 TRP HA H 1 4.958 0.02 . 1 . . . . 87 W HA . 16266 1 919 . 1 1 87 87 TRP HB2 H 1 3.134 0.02 . 2 . . . . 87 W HB1 . 16266 1 920 . 1 1 87 87 TRP HB3 H 1 2.951 0.02 . 2 . . . . 87 W HB2 . 16266 1 921 . 1 1 87 87 TRP HD1 H 1 7.234 0.02 . 1 . . . . 87 W HD1 . 16266 1 922 . 1 1 87 87 TRP HE3 H 1 7.555 0.02 . 1 . . . . 87 W HE3 . 16266 1 923 . 1 1 87 87 TRP C C 13 174.909 0.3 . 1 . . . . 87 W C . 16266 1 924 . 1 1 87 87 TRP CA C 13 57.073 0.3 . 1 . . . . 87 W CA . 16266 1 925 . 1 1 87 87 TRP CB C 13 33.028 0.3 . 1 . . . . 87 W CB . 16266 1 926 . 1 1 87 87 TRP N N 15 127.346 0.3 . 1 . . . . 87 W N . 16266 1 927 . 1 1 88 88 LYS H H 1 8.590 0.02 . 1 . . . . 88 K HN . 16266 1 928 . 1 1 88 88 LYS HA H 1 4.856 0.02 . 1 . . . . 88 K HA . 16266 1 929 . 1 1 88 88 LYS HB2 H 1 1.902 0.02 . 2 . . . . 88 K HB1 . 16266 1 930 . 1 1 88 88 LYS HD2 H 1 1.812 0.02 . 2 . . . . 88 K HD1 . 16266 1 931 . 1 1 88 88 LYS HE2 H 1 3.380 0.02 . 2 . . . . 88 K HE1 . 16266 1 932 . 1 1 88 88 LYS HE3 H 1 3.001 0.02 . 2 . . . . 88 K HE2 . 16266 1 933 . 1 1 88 88 LYS HG2 H 1 1.542 0.02 . 2 . . . . 88 K HG1 . 16266 1 934 . 1 1 88 88 LYS HG3 H 1 1.368 0.02 . 2 . . . . 88 K HG2 . 16266 1 935 . 1 1 88 88 LYS C C 13 175.382 0.3 . 1 . . . . 88 K C . 16266 1 936 . 1 1 88 88 LYS CA C 13 55.887 0.3 . 1 . . . . 88 K CA . 16266 1 937 . 1 1 88 88 LYS CB C 13 32.434 0.3 . 1 . . . . 88 K CB . 16266 1 938 . 1 1 88 88 LYS CD C 13 29.658 0.3 . 1 . . . . 88 K CD . 16266 1 939 . 1 1 88 88 LYS CE C 13 42.315 0.3 . 1 . . . . 88 K CE . 16266 1 940 . 1 1 88 88 LYS CG C 13 25.589 0.3 . 1 . . . . 88 K CG . 16266 1 941 . 1 1 88 88 LYS N N 15 123.625 0.3 . 1 . . . . 88 K N . 16266 1 942 . 1 1 89 89 VAL H H 1 8.829 0.02 . 1 . . . . 89 V HN . 16266 1 943 . 1 1 89 89 VAL HA H 1 4.406 0.02 . 1 . . . . 89 V HA . 16266 1 944 . 1 1 89 89 VAL HB H 1 1.846 0.02 . 1 . . . . 89 V HB . 16266 1 945 . 1 1 89 89 VAL HG11 H 1 0.819 0.02 . 2 . . . . 89 V HG11 . 16266 1 946 . 1 1 89 89 VAL HG12 H 1 0.819 0.02 . 2 . . . . 89 V HG11 . 16266 1 947 . 1 1 89 89 VAL HG13 H 1 0.819 0.02 . 2 . . . . 89 V HG11 . 16266 1 948 . 1 1 89 89 VAL HG21 H 1 0.642 0.02 . 2 . . . . 89 V HG21 . 16266 1 949 . 1 1 89 89 VAL HG22 H 1 0.642 0.02 . 2 . . . . 89 V HG21 . 16266 1 950 . 1 1 89 89 VAL HG23 H 1 0.642 0.02 . 2 . . . . 89 V HG21 . 16266 1 951 . 1 1 89 89 VAL CA C 13 58.371 0.3 . 1 . . . . 89 V CA . 16266 1 952 . 1 1 89 89 VAL CB C 13 34.512 0.3 . 1 . . . . 89 V CB . 16266 1 953 . 1 1 89 89 VAL CG1 C 13 22.041 0.3 . 2 . . . . 89 V CG1 . 16266 1 954 . 1 1 89 89 VAL CG2 C 13 22.207 0.3 . 2 . . . . 89 V CG2 . 16266 1 955 . 1 1 89 89 VAL N N 15 124.285 0.3 . 1 . . . . 89 V N . 16266 1 956 . 1 1 90 90 PRO HA H 1 5.073 0.02 . 1 . . . . 90 P HA . 16266 1 957 . 1 1 90 90 PRO HB2 H 1 2.359 0.02 . 2 . . . . 90 P HB1 . 16266 1 958 . 1 1 90 90 PRO HB3 H 1 2.006 0.02 . 2 . . . . 90 P HB2 . 16266 1 959 . 1 1 90 90 PRO HD2 H 1 3.647 0.02 . 2 . . . . 90 P HD1 . 16266 1 960 . 1 1 90 90 PRO HG2 H 1 2.189 0.02 . 2 . . . . 90 P HG1 . 16266 1 961 . 1 1 90 90 PRO C C 13 177.231 0.3 . 1 . . . . 90 P C . 16266 1 962 . 1 1 90 90 PRO CA C 13 61.795 0.3 . 1 . . . . 90 P CA . 16266 1 963 . 1 1 90 90 PRO CB C 13 31.660 0.3 . 1 . . . . 90 P CB . 16266 1 964 . 1 1 91 91 LYS H H 1 8.116 0.02 . 1 . . . . 91 K HN . 16266 1 965 . 1 1 91 91 LYS HA H 1 4.024 0.02 . 1 . . . . 91 K HA . 16266 1 966 . 1 1 91 91 LYS HB2 H 1 2.057 0.02 . 2 . . . . 91 K HB1 . 16266 1 967 . 1 1 91 91 LYS HD2 H 1 1.725 0.02 . 2 . . . . 91 K HD1 . 16266 1 968 . 1 1 91 91 LYS HG2 H 1 1.197 0.02 . 2 . . . . 91 K HG1 . 16266 1 969 . 1 1 91 91 LYS C C 13 178.518 0.3 . 1 . . . . 91 K C . 16266 1 970 . 1 1 91 91 LYS CA C 13 59.621 0.3 . 1 . . . . 91 K CA . 16266 1 971 . 1 1 91 91 LYS CB C 13 34.217 0.3 . 1 . . . . 91 K CB . 16266 1 972 . 1 1 91 91 LYS CG C 13 26.777 0.3 . 1 . . . . 91 K CG . 16266 1 973 . 1 1 91 91 LYS N N 15 121.224 0.3 . 1 . . . . 91 K N . 16266 1 974 . 1 1 92 92 ASP H H 1 8.505 0.02 . 1 . . . . 92 D HN . 16266 1 975 . 1 1 92 92 ASP HA H 1 3.781 0.02 . 1 . . . . 92 D HA . 16266 1 976 . 1 1 92 92 ASP HB2 H 1 2.912 0.02 . 2 . . . . 92 D HB1 . 16266 1 977 . 1 1 92 92 ASP HB3 H 1 2.600 0.02 . 2 . . . . 92 D HB2 . 16266 1 978 . 1 1 92 92 ASP C C 13 176.975 0.3 . 1 . . . . 92 D C . 16266 1 979 . 1 1 92 92 ASP CA C 13 56.773 0.3 . 1 . . . . 92 D CA . 16266 1 980 . 1 1 92 92 ASP CB C 13 39.590 0.3 . 1 . . . . 92 D CB . 16266 1 981 . 1 1 92 92 ASP N N 15 111.815 0.3 . 1 . . . . 92 D N . 16266 1 982 . 1 1 93 93 VAL H H 1 6.691 0.02 . 1 . . . . 93 V HN . 16266 1 983 . 1 1 93 93 VAL HA H 1 4.678 0.02 . 1 . . . . 93 V HA . 16266 1 984 . 1 1 93 93 VAL HB H 1 2.868 0.02 . 1 . . . . 93 V HB . 16266 1 985 . 1 1 93 93 VAL HG11 H 1 0.927 0.02 . 2 . . . . 93 V HG11 . 16266 1 986 . 1 1 93 93 VAL HG12 H 1 0.927 0.02 . 2 . . . . 93 V HG11 . 16266 1 987 . 1 1 93 93 VAL HG13 H 1 0.927 0.02 . 2 . . . . 93 V HG11 . 16266 1 988 . 1 1 93 93 VAL HG21 H 1 0.893 0.02 . 2 . . . . 93 V HG21 . 16266 1 989 . 1 1 93 93 VAL HG22 H 1 0.893 0.02 . 2 . . . . 93 V HG21 . 16266 1 990 . 1 1 93 93 VAL HG23 H 1 0.893 0.02 . 2 . . . . 93 V HG21 . 16266 1 991 . 1 1 93 93 VAL C C 13 176.537 0.3 . 1 . . . . 93 V C . 16266 1 992 . 1 1 93 93 VAL CA C 13 60.120 0.3 . 1 . . . . 93 V CA . 16266 1 993 . 1 1 93 93 VAL CB C 13 31.093 0.3 . 1 . . . . 93 V CB . 16266 1 994 . 1 1 93 93 VAL CG1 C 13 21.149 0.3 . 2 . . . . 93 V CG1 . 16266 1 995 . 1 1 93 93 VAL CG2 C 13 18.637 0.3 . 2 . . . . 93 V CG2 . 16266 1 996 . 1 1 93 93 VAL N N 15 107.879 0.3 . 1 . . . . 93 V N . 16266 1 997 . 1 1 94 94 CYS H H 1 7.249 0.02 . 1 . . . . 94 C HN . 16266 1 998 . 1 1 94 94 CYS HA H 1 5.062 0.02 . 1 . . . . 94 C HA . 16266 1 999 . 1 1 94 94 CYS HB2 H 1 2.005 0.02 . 2 . . . . 94 C HB1 . 16266 1 1000 . 1 1 94 94 CYS HB3 H 1 1.695 0.02 . 2 . . . . 94 C HB2 . 16266 1 1001 . 1 1 94 94 CYS C C 13 173.103 0.3 . 1 . . . . 94 C C . 16266 1 1002 . 1 1 94 94 CYS CA C 13 58.001 0.3 . 1 . . . . 94 C CA . 16266 1 1003 . 1 1 94 94 CYS CB C 13 31.418 0.3 . 1 . . . . 94 C CB . 16266 1 1004 . 1 1 94 94 CYS N N 15 117.940 0.3 . 1 . . . . 94 C N . 16266 1 1005 . 1 1 95 95 ILE H H 1 8.153 0.02 . 1 . . . . 95 I HN . 16266 1 1006 . 1 1 95 95 ILE HA H 1 4.159 0.02 . 1 . . . . 95 I HA . 16266 1 1007 . 1 1 95 95 ILE HB H 1 1.627 0.02 . 1 . . . . 95 I HB . 16266 1 1008 . 1 1 95 95 ILE HD11 H 1 0.823 0.02 . 1 . . . . 95 I HD11 . 16266 1 1009 . 1 1 95 95 ILE HD12 H 1 0.823 0.02 . 1 . . . . 95 I HD11 . 16266 1 1010 . 1 1 95 95 ILE HD13 H 1 0.823 0.02 . 1 . . . . 95 I HD11 . 16266 1 1011 . 1 1 95 95 ILE HG12 H 1 1.178 0.02 . 2 . . . . 95 I HG11 . 16266 1 1012 . 1 1 95 95 ILE HG13 H 1 1.146 0.02 . 2 . . . . 95 I HG12 . 16266 1 1013 . 1 1 95 95 ILE HG21 H 1 0.733 0.02 . 1 . . . . 95 I HG21 . 16266 1 1014 . 1 1 95 95 ILE HG22 H 1 0.733 0.02 . 1 . . . . 95 I HG21 . 16266 1 1015 . 1 1 95 95 ILE HG23 H 1 0.733 0.02 . 1 . . . . 95 I HG21 . 16266 1 1016 . 1 1 95 95 ILE C C 13 174.736 0.3 . 1 . . . . 95 I C . 16266 1 1017 . 1 1 95 95 ILE CA C 13 61.234 0.3 . 1 . . . . 95 I CA . 16266 1 1018 . 1 1 95 95 ILE CB C 13 38.071 0.3 . 1 . . . . 95 I CB . 16266 1 1019 . 1 1 95 95 ILE CD1 C 13 11.649 0.3 . 1 . . . . 95 I CD1 . 16266 1 1020 . 1 1 95 95 ILE CG1 C 13 27.396 0.3 . 1 . . . . 95 I CG1 . 16266 1 1021 . 1 1 95 95 ILE CG2 C 13 16.997 0.3 . 1 . . . . 95 I CG2 . 16266 1 1022 . 1 1 95 95 ILE N N 15 121.876 0.3 . 1 . . . . 95 I N . 16266 1 1023 . 1 1 96 96 PHE H H 1 8.400 0.02 . 1 . . . . 96 F HN . 16266 1 1024 . 1 1 96 96 PHE HA H 1 5.004 0.02 . 1 . . . . 96 F HA . 16266 1 1025 . 1 1 96 96 PHE HB2 H 1 2.577 0.02 . 2 . . . . 96 F HB1 . 16266 1 1026 . 1 1 96 96 PHE HB3 H 1 2.218 0.02 . 2 . . . . 96 F HB2 . 16266 1 1027 . 1 1 96 96 PHE HD1 H 1 6.831 0.02 . 3 . . . . 96 F HD1 . 16266 1 1028 . 1 1 96 96 PHE HE1 H 1 7.170 0.02 . 3 . . . . 96 F HE1 . 16266 1 1029 . 1 1 96 96 PHE C C 13 174.005 0.3 . 1 . . . . 96 F C . 16266 1 1030 . 1 1 96 96 PHE CA C 13 56.922 0.3 . 1 . . . . 96 F CA . 16266 1 1031 . 1 1 96 96 PHE CB C 13 44.006 0.3 . 1 . . . . 96 F CB . 16266 1 1032 . 1 1 96 96 PHE N N 15 125.820 0.3 . 1 . . . . 96 F N . 16266 1 1033 . 1 1 97 97 GLU H H 1 8.985 0.02 . 1 . . . . 97 E HN . 16266 1 1034 . 1 1 97 97 GLU HA H 1 5.275 0.02 . 1 . . . . 97 E HA . 16266 1 1035 . 1 1 97 97 GLU HB2 H 1 1.807 0.02 . 2 . . . . 97 E HB1 . 16266 1 1036 . 1 1 97 97 GLU HG2 H 1 2.038 0.02 . 2 . . . . 97 E HG1 . 16266 1 1037 . 1 1 97 97 GLU HG3 H 1 1.838 0.02 . 2 . . . . 97 E HG2 . 16266 1 1038 . 1 1 97 97 GLU C C 13 175.596 0.3 . 1 . . . . 97 E C . 16266 1 1039 . 1 1 97 97 GLU CA C 13 55.070 0.3 . 1 . . . . 97 E CA . 16266 1 1040 . 1 1 97 97 GLU CB C 13 33.628 0.3 . 1 . . . . 97 E CB . 16266 1 1041 . 1 1 97 97 GLU CG C 13 38.522 0.3 . 1 . . . . 97 E CG . 16266 1 1042 . 1 1 97 97 GLU N N 15 121.010 0.3 . 1 . . . . 97 E N . 16266 1 1043 . 1 1 98 98 PHE H H 1 9.304 0.02 . 1 . . . . 98 F HN . 16266 1 1044 . 1 1 98 98 PHE HA H 1 5.337 0.02 . 1 . . . . 98 F HA . 16266 1 1045 . 1 1 98 98 PHE HB2 H 1 2.889 0.02 . 2 . . . . 98 F HB1 . 16266 1 1046 . 1 1 98 98 PHE HB3 H 1 2.685 0.02 . 2 . . . . 98 F HB2 . 16266 1 1047 . 1 1 98 98 PHE HD1 H 1 7.084 0.02 . 3 . . . . 98 F HD1 . 16266 1 1048 . 1 1 98 98 PHE C C 13 174.650 0.3 . 1 . . . . 98 F C . 16266 1 1049 . 1 1 98 98 PHE CA C 13 57.363 0.3 . 1 . . . . 98 F CA . 16266 1 1050 . 1 1 98 98 PHE CB C 13 41.936 0.3 . 1 . . . . 98 F CB . 16266 1 1051 . 1 1 98 98 PHE N N 15 128.658 0.3 . 1 . . . . 98 F N . 16266 1 1052 . 1 1 99 99 GLU H H 1 8.721 0.02 . 1 . . . . 99 E HN . 16266 1 1053 . 1 1 99 99 GLU HA H 1 5.457 0.02 . 1 . . . . 99 E HA . 16266 1 1054 . 1 1 99 99 GLU HB2 H 1 1.864 0.02 . 2 . . . . 99 E HB1 . 16266 1 1055 . 1 1 99 99 GLU HB3 H 1 1.804 0.02 . 2 . . . . 99 E HB2 . 16266 1 1056 . 1 1 99 99 GLU HG2 H 1 2.387 0.02 . 2 . . . . 99 E HG1 . 16266 1 1057 . 1 1 99 99 GLU HG3 H 1 1.989 0.02 . 2 . . . . 99 E HG2 . 16266 1 1058 . 1 1 99 99 GLU C C 13 176.368 0.3 . 1 . . . . 99 E C . 16266 1 1059 . 1 1 99 99 GLU CA C 13 54.401 0.3 . 1 . . . . 99 E CA . 16266 1 1060 . 1 1 99 99 GLU CB C 13 33.068 0.3 . 1 . . . . 99 E CB . 16266 1 1061 . 1 1 99 99 GLU CG C 13 36.743 0.3 . 1 . . . . 99 E CG . 16266 1 1062 . 1 1 99 99 GLU N N 15 122.759 0.3 . 1 . . . . 99 E N . 16266 1 1063 . 1 1 100 100 THR H H 1 8.588 0.02 . 1 . . . . 100 T HN . 16266 1 1064 . 1 1 100 100 THR HA H 1 4.603 0.02 . 1 . . . . 100 T HA . 16266 1 1065 . 1 1 100 100 THR HB H 1 4.809 0.02 . 1 . . . . 100 T HB . 16266 1 1066 . 1 1 100 100 THR HG21 H 1 1.118 0.02 . 1 . . . . 100 T HG21 . 16266 1 1067 . 1 1 100 100 THR HG22 H 1 1.118 0.02 . 1 . . . . 100 T HG21 . 16266 1 1068 . 1 1 100 100 THR HG23 H 1 1.118 0.02 . 1 . . . . 100 T HG21 . 16266 1 1069 . 1 1 100 100 THR C C 13 177.144 0.3 . 1 . . . . 100 T C . 16266 1 1070 . 1 1 100 100 THR CA C 13 60.774 0.3 . 1 . . . . 100 T CA . 16266 1 1071 . 1 1 100 100 THR CB C 13 70.136 0.3 . 1 . . . . 100 T CB . 16266 1 1072 . 1 1 100 100 THR CG2 C 13 22.041 0.3 . 1 . . . . 100 T CG2 . 16266 1 1073 . 1 1 100 100 THR N N 15 116.191 0.3 . 1 . . . . 100 T N . 16266 1 1074 . 1 1 101 101 TRP H H 1 9.287 0.02 . 1 . . . . 101 W HN . 16266 1 1075 . 1 1 101 101 TRP HA H 1 4.591 0.02 . 1 . . . . 101 W HA . 16266 1 1076 . 1 1 101 101 TRP HB2 H 1 3.910 0.02 . 2 . . . . 101 W HB1 . 16266 1 1077 . 1 1 101 101 TRP HB3 H 1 3.653 0.02 . 2 . . . . 101 W HB2 . 16266 1 1078 . 1 1 101 101 TRP HD1 H 1 7.554 0.02 . 1 . . . . 101 W HD1 . 16266 1 1079 . 1 1 101 101 TRP HE3 H 1 7.708 0.02 . 1 . . . . 101 W HE3 . 16266 1 1080 . 1 1 101 101 TRP C C 13 176.457 0.3 . 1 . . . . 101 W C . 16266 1 1081 . 1 1 101 101 TRP CA C 13 60.045 0.3 . 1 . . . . 101 W CA . 16266 1 1082 . 1 1 101 101 TRP CB C 13 28.578 0.3 . 1 . . . . 101 W CB . 16266 1 1083 . 1 1 101 101 TRP N N 15 122.220 0.3 . 1 . . . . 101 W N . 16266 1 1084 . 1 1 102 102 ASP H H 1 7.553 0.02 . 1 . . . . 102 D HN . 16266 1 1085 . 1 1 102 102 ASP HA H 1 4.129 0.02 . 1 . . . . 102 D HA . 16266 1 1086 . 1 1 102 102 ASP HB2 H 1 2.710 0.02 . 2 . . . . 102 D HB1 . 16266 1 1087 . 1 1 102 102 ASP HB3 H 1 1.507 0.02 . 2 . . . . 102 D HB2 . 16266 1 1088 . 1 1 102 102 ASP C C 13 176.714 0.3 . 1 . . . . 102 D C . 16266 1 1089 . 1 1 102 102 ASP CA C 13 52.775 0.3 . 1 . . . . 102 D CA . 16266 1 1090 . 1 1 102 102 ASP CB C 13 39.231 0.3 . 1 . . . . 102 D CB . 16266 1 1091 . 1 1 102 102 ASP N N 15 115.763 0.3 . 1 . . . . 102 D N . 16266 1 1092 . 1 1 103 103 GLY H H 1 7.910 0.02 . 1 . . . . 103 G HN . 16266 1 1093 . 1 1 103 103 GLY HA2 H 1 4.216 0.02 . 2 . . . . 103 G HA1 . 16266 1 1094 . 1 1 103 103 GLY HA3 H 1 3.686 0.02 . 2 . . . . 103 G HA2 . 16266 1 1095 . 1 1 103 103 GLY C C 13 174.566 0.3 . 1 . . . . 103 G C . 16266 1 1096 . 1 1 103 103 GLY CA C 13 45.179 0.3 . 1 . . . . 103 G CA . 16266 1 1097 . 1 1 103 103 GLY N N 15 108.311 0.3 . 1 . . . . 103 G N . 16266 1 1098 . 1 1 104 104 THR H H 1 7.691 0.02 . 1 . . . . 104 T HN . 16266 1 1099 . 1 1 104 104 THR HA H 1 4.031 0.02 . 1 . . . . 104 T HA . 16266 1 1100 . 1 1 104 104 THR HB H 1 4.341 0.02 . 1 . . . . 104 T HB . 16266 1 1101 . 1 1 104 104 THR HG21 H 1 1.221 0.02 . 1 . . . . 104 T HG21 . 16266 1 1102 . 1 1 104 104 THR HG22 H 1 1.221 0.02 . 1 . . . . 104 T HG21 . 16266 1 1103 . 1 1 104 104 THR HG23 H 1 1.221 0.02 . 1 . . . . 104 T HG21 . 16266 1 1104 . 1 1 104 104 THR C C 13 173.405 0.3 . 1 . . . . 104 T C . 16266 1 1105 . 1 1 104 104 THR CA C 13 64.307 0.3 . 1 . . . . 104 T CA . 16266 1 1106 . 1 1 104 104 THR CB C 13 68.354 0.3 . 1 . . . . 104 T CB . 16266 1 1107 . 1 1 104 104 THR CG2 C 13 21.446 0.3 . 1 . . . . 104 T CG2 . 16266 1 1108 . 1 1 104 104 THR N N 15 119.913 0.3 . 1 . . . . 104 T N . 16266 1 1109 . 1 1 105 105 LYS H H 1 8.297 0.02 . 1 . . . . 105 K HN . 16266 1 1110 . 1 1 105 105 LYS HA H 1 5.457 0.02 . 1 . . . . 105 K HA . 16266 1 1111 . 1 1 105 105 LYS HB2 H 1 1.790 0.02 . 2 . . . . 105 K HB1 . 16266 1 1112 . 1 1 105 105 LYS HD2 H 1 1.559 0.02 . 2 . . . . 105 K HD1 . 16266 1 1113 . 1 1 105 105 LYS HD3 H 1 1.635 0.02 . 2 . . . . 105 K HD2 . 16266 1 1114 . 1 1 105 105 LYS HE2 H 1 2.951 0.02 . 2 . . . . 105 K HE1 . 16266 1 1115 . 1 1 105 105 LYS HG2 H 1 1.323 0.02 . 2 . . . . 105 K HG1 . 16266 1 1116 . 1 1 105 105 LYS C C 13 177.055 0.3 . 1 . . . . 105 K C . 16266 1 1117 . 1 1 105 105 LYS CA C 13 54.401 0.3 . 1 . . . . 105 K CA . 16266 1 1118 . 1 1 105 105 LYS CB C 13 34.230 0.3 . 1 . . . . 105 K CB . 16266 1 1119 . 1 1 105 105 LYS CD C 13 28.868 0.3 . 1 . . . . 105 K CD . 16266 1 1120 . 1 1 105 105 LYS CE C 13 42.246 0.3 . 1 . . . . 105 K CE . 16266 1 1121 . 1 1 105 105 LYS CG C 13 25.311 0.3 . 1 . . . . 105 K CG . 16266 1 1122 . 1 1 105 105 LYS N N 15 125.597 0.3 . 1 . . . . 105 K N . 16266 1 1123 . 1 1 106 106 ILE H H 1 9.238 0.02 . 1 . . . . 106 I HN . 16266 1 1124 . 1 1 106 106 ILE HA H 1 4.289 0.02 . 1 . . . . 106 I HA . 16266 1 1125 . 1 1 106 106 ILE HB H 1 1.654 0.02 . 1 . . . . 106 I HB . 16266 1 1126 . 1 1 106 106 ILE HD11 H 1 0.573 0.02 . 1 . . . . 106 I HD11 . 16266 1 1127 . 1 1 106 106 ILE HD12 H 1 0.573 0.02 . 1 . . . . 106 I HD11 . 16266 1 1128 . 1 1 106 106 ILE HD13 H 1 0.573 0.02 . 1 . . . . 106 I HD11 . 16266 1 1129 . 1 1 106 106 ILE HG12 H 1 1.402 0.02 . 2 . . . . 106 I HG11 . 16266 1 1130 . 1 1 106 106 ILE HG21 H 1 0.819 0.02 . 1 . . . . 106 I HG21 . 16266 1 1131 . 1 1 106 106 ILE HG22 H 1 0.819 0.02 . 1 . . . . 106 I HG21 . 16266 1 1132 . 1 1 106 106 ILE HG23 H 1 0.819 0.02 . 1 . . . . 106 I HG21 . 16266 1 1133 . 1 1 106 106 ILE C C 13 174.221 0.3 . 1 . . . . 106 I C . 16266 1 1134 . 1 1 106 106 ILE CA C 13 60.631 0.3 . 1 . . . . 106 I CA . 16266 1 1135 . 1 1 106 106 ILE CB C 13 41.927 0.3 . 1 . . . . 106 I CB . 16266 1 1136 . 1 1 106 106 ILE CD1 C 13 15.201 0.3 . 1 . . . . 106 I CD1 . 16266 1 1137 . 1 1 106 106 ILE CG1 C 13 27.705 0.3 . 1 . . . . 106 I CG1 . 16266 1 1138 . 1 1 106 106 ILE CG2 C 13 18.616 0.3 . 1 . . . . 106 I CG2 . 16266 1 1139 . 1 1 106 106 ILE N N 15 124.499 0.3 . 1 . . . . 106 I N . 16266 1 1140 . 1 1 107 107 LYS H H 1 8.650 0.02 . 1 . . . . 107 K HN . 16266 1 1141 . 1 1 107 107 LYS HA H 1 5.608 0.02 . 1 . . . . 107 K HA . 16266 1 1142 . 1 1 107 107 LYS HB2 H 1 1.807 0.02 . 2 . . . . 107 K HB1 . 16266 1 1143 . 1 1 107 107 LYS HD2 H 1 1.812 0.02 . 2 . . . . 107 K HD1 . 16266 1 1144 . 1 1 107 107 LYS HE2 H 1 2.951 0.02 . 2 . . . . 107 K HE1 . 16266 1 1145 . 1 1 107 107 LYS HG2 H 1 1.411 0.02 . 2 . . . . 107 K HG1 . 16266 1 1146 . 1 1 107 107 LYS HG3 H 1 1.244 0.02 . 2 . . . . 107 K HG2 . 16266 1 1147 . 1 1 107 107 LYS C C 13 175.681 0.3 . 1 . . . . 107 K C . 16266 1 1148 . 1 1 107 107 LYS CA C 13 55.248 0.3 . 1 . . . . 107 K CA . 16266 1 1149 . 1 1 107 107 LYS CB C 13 33.618 0.3 . 1 . . . . 107 K CB . 16266 1 1150 . 1 1 107 107 LYS CD C 13 29.590 0.3 . 1 . . . . 107 K CD . 16266 1 1151 . 1 1 107 107 LYS CE C 13 41.770 0.3 . 1 . . . . 107 K CE . 16266 1 1152 . 1 1 107 107 LYS CG C 13 25.336 0.3 . 1 . . . . 107 K CG . 16266 1 1153 . 1 1 107 107 LYS N N 15 130.844 0.3 . 1 . . . . 107 K N . 16266 1 1154 . 1 1 108 108 ILE H H 1 9.448 0.02 . 1 . . . . 108 I HN . 16266 1 1155 . 1 1 108 108 ILE HA H 1 4.741 0.02 . 1 . . . . 108 I HA . 16266 1 1156 . 1 1 108 108 ILE HB H 1 1.816 0.02 . 1 . . . . 108 I HB . 16266 1 1157 . 1 1 108 108 ILE HD11 H 1 0.840 0.02 . 1 . . . . 108 I HD11 . 16266 1 1158 . 1 1 108 108 ILE HD12 H 1 0.840 0.02 . 1 . . . . 108 I HD11 . 16266 1 1159 . 1 1 108 108 ILE HD13 H 1 0.840 0.02 . 1 . . . . 108 I HD11 . 16266 1 1160 . 1 1 108 108 ILE HG12 H 1 1.424 0.02 . 2 . . . . 108 I HG11 . 16266 1 1161 . 1 1 108 108 ILE HG21 H 1 1.115 0.02 . 1 . . . . 108 I HG21 . 16266 1 1162 . 1 1 108 108 ILE HG22 H 1 1.115 0.02 . 1 . . . . 108 I HG21 . 16266 1 1163 . 1 1 108 108 ILE HG23 H 1 1.115 0.02 . 1 . . . . 108 I HG21 . 16266 1 1164 . 1 1 108 108 ILE C C 13 172.670 0.3 . 1 . . . . 108 I C . 16266 1 1165 . 1 1 108 108 ILE CA C 13 59.157 0.3 . 1 . . . . 108 I CA . 16266 1 1166 . 1 1 108 108 ILE CB C 13 42.241 0.3 . 1 . . . . 108 I CB . 16266 1 1167 . 1 1 108 108 ILE CD1 C 13 14.914 0.3 . 1 . . . . 108 I CD1 . 16266 1 1168 . 1 1 108 108 ILE CG1 C 13 28.421 0.3 . 1 . . . . 108 I CG1 . 16266 1 1169 . 1 1 108 108 ILE CG2 C 13 16.407 0.3 . 1 . . . . 108 I CG2 . 16266 1 1170 . 1 1 108 108 ILE N N 15 125.160 0.3 . 1 . . . . 108 I N . 16266 1 1171 . 1 1 109 109 SER H H 1 8.490 0.02 . 1 . . . . 109 S HN . 16266 1 1172 . 1 1 109 109 SER HA H 1 4.437 0.02 . 1 . . . . 109 S HA . 16266 1 1173 . 1 1 109 109 SER HB2 H 1 4.062 0.02 . 2 . . . . 109 S HB1 . 16266 1 1174 . 1 1 109 109 SER HB3 H 1 3.995 0.02 . 2 . . . . 109 S HB2 . 16266 1 1175 . 1 1 109 109 SER C C 13 176.536 0.3 . 1 . . . . 109 S C . 16266 1 1176 . 1 1 109 109 SER CA C 13 58.850 0.3 . 1 . . . . 109 S CA . 16266 1 1177 . 1 1 109 109 SER CB C 13 63.010 0.3 . 1 . . . . 109 S CB . 16266 1 1178 . 1 1 109 109 SER N N 15 122.750 0.3 . 1 . . . . 109 S N . 16266 1 1179 . 1 1 110 110 GLY H H 1 9.292 0.02 . 1 . . . . 110 G HN . 16266 1 1180 . 1 1 110 110 GLY HA2 H 1 5.193 0.02 . 2 . . . . 110 G HA1 . 16266 1 1181 . 1 1 110 110 GLY HA3 H 1 3.755 0.02 . 2 . . . . 110 G HA2 . 16266 1 1182 . 1 1 110 110 GLY C C 13 176.964 0.3 . 1 . . . . 110 G C . 16266 1 1183 . 1 1 110 110 GLY CA C 13 48.168 0.3 . 1 . . . . 110 G CA . 16266 1 1184 . 1 1 110 110 GLY N N 15 116.628 0.3 . 1 . . . . 110 G N . 16266 1 1185 . 1 1 111 111 GLU H H 1 8.576 0.02 . 1 . . . . 111 E HN . 16266 1 1186 . 1 1 111 111 GLU HA H 1 4.080 0.02 . 1 . . . . 111 E HA . 16266 1 1187 . 1 1 111 111 GLU HB2 H 1 2.216 0.02 . 2 . . . . 111 E HB1 . 16266 1 1188 . 1 1 111 111 GLU HB3 H 1 2.153 0.02 . 2 . . . . 111 E HB2 . 16266 1 1189 . 1 1 111 111 GLU HG2 H 1 2.435 0.02 . 2 . . . . 111 E HG1 . 16266 1 1190 . 1 1 111 111 GLU HG3 H 1 2.320 0.02 . 2 . . . . 111 E HG2 . 16266 1 1191 . 1 1 111 111 GLU C C 13 178.867 0.3 . 1 . . . . 111 E C . 16266 1 1192 . 1 1 111 111 GLU CA C 13 59.150 0.3 . 1 . . . . 111 E CA . 16266 1 1193 . 1 1 111 111 GLU CB C 13 28.831 0.3 . 1 . . . . 111 E CB . 16266 1 1194 . 1 1 111 111 GLU CG C 13 35.986 0.3 . 1 . . . . 111 E CG . 16266 1 1195 . 1 1 111 111 GLU N N 15 120.564 0.3 . 1 . . . . 111 E N . 16266 1 1196 . 1 1 112 112 LYS H H 1 7.605 0.02 . 1 . . . . 112 K HN . 16266 1 1197 . 1 1 112 112 LYS HA H 1 4.229 0.02 . 1 . . . . 112 K HA . 16266 1 1198 . 1 1 112 112 LYS HB2 H 1 1.912 0.02 . 2 . . . . 112 K HB1 . 16266 1 1199 . 1 1 112 112 LYS HD2 H 1 1.745 0.02 . 2 . . . . 112 K HD1 . 16266 1 1200 . 1 1 112 112 LYS HE2 H 1 3.001 0.02 . 2 . . . . 112 K HE1 . 16266 1 1201 . 1 1 112 112 LYS HG2 H 1 1.543 0.02 . 2 . . . . 112 K HG1 . 16266 1 1202 . 1 1 112 112 LYS C C 13 176.710 0.3 . 1 . . . . 112 K C . 16266 1 1203 . 1 1 112 112 LYS CA C 13 57.083 0.3 . 1 . . . . 112 K CA . 16266 1 1204 . 1 1 112 112 LYS CB C 13 32.183 0.3 . 1 . . . . 112 K CB . 16266 1 1205 . 1 1 112 112 LYS CD C 13 29.148 0.3 . 1 . . . . 112 K CD . 16266 1 1206 . 1 1 112 112 LYS CE C 13 42.377 0.3 . 1 . . . . 112 K CE . 16266 1 1207 . 1 1 112 112 LYS CG C 13 25.874 0.3 . 1 . . . . 112 K CG . 16266 1 1208 . 1 1 112 112 LYS N N 15 116.628 0.3 . 1 . . . . 112 K N . 16266 1 1209 . 1 1 113 113 LEU H H 1 7.784 0.02 . 1 . . . . 113 L HN . 16266 1 1210 . 1 1 113 113 LEU HA H 1 4.387 0.02 . 1 . . . . 113 L HA . 16266 1 1211 . 1 1 113 113 LEU HB2 H 1 1.876 0.02 . 2 . . . . 113 L HB1 . 16266 1 1212 . 1 1 113 113 LEU HB3 H 1 1.549 0.02 . 2 . . . . 113 L HB2 . 16266 1 1213 . 1 1 113 113 LEU HD11 H 1 0.929 0.02 . 2 . . . . 113 L HD11 . 16266 1 1214 . 1 1 113 113 LEU HD12 H 1 0.929 0.02 . 2 . . . . 113 L HD11 . 16266 1 1215 . 1 1 113 113 LEU HD13 H 1 0.929 0.02 . 2 . . . . 113 L HD11 . 16266 1 1216 . 1 1 113 113 LEU HD21 H 1 0.725 0.02 . 2 . . . . 113 L HD21 . 16266 1 1217 . 1 1 113 113 LEU HD22 H 1 0.725 0.02 . 2 . . . . 113 L HD21 . 16266 1 1218 . 1 1 113 113 LEU HD23 H 1 0.725 0.02 . 2 . . . . 113 L HD21 . 16266 1 1219 . 1 1 113 113 LEU HG H 1 1.549 0.02 . 1 . . . . 113 L HG . 16266 1 1220 . 1 1 113 113 LEU C C 13 176.195 0.3 . 1 . . . . 113 L C . 16266 1 1221 . 1 1 113 113 LEU CA C 13 52.617 0.3 . 1 . . . . 113 L CA . 16266 1 1222 . 1 1 113 113 LEU CB C 13 42.820 0.3 . 1 . . . . 113 L CB . 16266 1 1223 . 1 1 113 113 LEU CD1 C 13 25.794 0.3 . 2 . . . . 113 L CD1 . 16266 1 1224 . 1 1 113 113 LEU CD2 C 13 22.040 0.3 . 2 . . . . 113 L CD2 . 16266 1 1225 . 1 1 113 113 LEU CG C 13 25.605 0.3 . 1 . . . . 113 L CG . 16266 1 1226 . 1 1 113 113 LEU N N 15 114.219 0.3 . 1 . . . . 113 L N . 16266 1 1227 . 1 1 114 114 VAL H H 1 7.032 0.02 . 1 . . . . 114 V HN . 16266 1 1228 . 1 1 114 114 VAL HA H 1 3.723 0.02 . 1 . . . . 114 V HA . 16266 1 1229 . 1 1 114 114 VAL HB H 1 2.090 0.02 . 1 . . . . 114 V HB . 16266 1 1230 . 1 1 114 114 VAL HG11 H 1 1.291 0.02 . 2 . . . . 114 V HG11 . 16266 1 1231 . 1 1 114 114 VAL HG12 H 1 1.291 0.02 . 2 . . . . 114 V HG11 . 16266 1 1232 . 1 1 114 114 VAL HG13 H 1 1.291 0.02 . 2 . . . . 114 V HG11 . 16266 1 1233 . 1 1 114 114 VAL HG21 H 1 1.027 0.02 . 2 . . . . 114 V HG21 . 16266 1 1234 . 1 1 114 114 VAL HG22 H 1 1.027 0.02 . 2 . . . . 114 V HG21 . 16266 1 1235 . 1 1 114 114 VAL HG23 H 1 1.027 0.02 . 2 . . . . 114 V HG21 . 16266 1 1236 . 1 1 114 114 VAL C C 13 175.430 0.3 . 1 . . . . 114 V C . 16266 1 1237 . 1 1 114 114 VAL CA C 13 65.537 0.3 . 1 . . . . 114 V CA . 16266 1 1238 . 1 1 114 114 VAL CB C 13 32.115 0.3 . 1 . . . . 114 V CB . 16266 1 1239 . 1 1 114 114 VAL CG1 C 13 22.929 0.3 . 2 . . . . 114 V CG1 . 16266 1 1240 . 1 1 114 114 VAL CG2 C 13 21.149 0.3 . 2 . . . . 114 V CG2 . 16266 1 1241 . 1 1 114 114 VAL N N 15 121.773 0.3 . 1 . . . . 114 V N . 16266 1 1242 . 1 1 115 115 GLY H H 1 8.678 0.02 . 1 . . . . 115 G HN . 16266 1 1243 . 1 1 115 115 GLY HA2 H 1 4.313 0.02 . 2 . . . . 115 G HA1 . 16266 1 1244 . 1 1 115 115 GLY HA3 H 1 3.846 0.02 . 2 . . . . 115 G HA2 . 16266 1 1245 . 1 1 115 115 GLY C C 13 172.462 0.3 . 1 . . . . 115 G C . 16266 1 1246 . 1 1 115 115 GLY CA C 13 43.743 0.3 . 1 . . . . 115 G CA . 16266 1 1247 . 1 1 115 115 GLY N N 15 117.503 0.3 . 1 . . . . 115 G N . 16266 1 1248 . 1 1 116 116 ARG H H 1 8.701 0.02 . 1 . . . . 116 R HN . 16266 1 1249 . 1 1 116 116 ARG HA H 1 3.926 0.02 . 1 . . . . 116 R HA . 16266 1 1250 . 1 1 116 116 ARG HB2 H 1 2.346 0.02 . 2 . . . . 116 R HB1 . 16266 1 1251 . 1 1 116 116 ARG HB3 H 1 1.823 0.02 . 2 . . . . 116 R HB2 . 16266 1 1252 . 1 1 116 116 ARG HD2 H 1 3.219 0.02 . 2 . . . . 116 R HD1 . 16266 1 1253 . 1 1 116 116 ARG HG2 H 1 1.983 0.02 . 2 . . . . 116 R HG1 . 16266 1 1254 . 1 1 116 116 ARG CA C 13 56.470 0.3 . 1 . . . . 116 R CA . 16266 1 1255 . 1 1 116 116 ARG CB C 13 29.585 0.3 . 1 . . . . 116 R CB . 16266 1 1256 . 1 1 116 116 ARG CD C 13 43.800 0.3 . 1 . . . . 116 R CD . 16266 1 1257 . 1 1 116 116 ARG N N 15 123.504 0.3 . 1 . . . . 116 R N . 16266 1 1258 . 1 1 117 117 PRO HA H 1 4.242 0.02 . 1 . . . . 117 P HA . 16266 1 1259 . 1 1 117 117 PRO HB2 H 1 2.551 0.02 . 2 . . . . 117 P HB1 . 16266 1 1260 . 1 1 117 117 PRO HB3 H 1 1.946 0.02 . 2 . . . . 117 P HB2 . 16266 1 1261 . 1 1 117 117 PRO HD2 H 1 3.851 0.02 . 2 . . . . 117 P HD1 . 16266 1 1262 . 1 1 117 117 PRO HD3 H 1 3.222 0.02 . 2 . . . . 117 P HD2 . 16266 1 1263 . 1 1 117 117 PRO HG2 H 1 2.322 0.02 . 2 . . . . 117 P HG1 . 16266 1 1264 . 1 1 117 117 PRO C C 13 178.947 0.3 . 1 . . . . 117 P C . 16266 1 1265 . 1 1 117 117 PRO CA C 13 65.684 0.3 . 1 . . . . 117 P CA . 16266 1 1266 . 1 1 117 117 PRO CB C 13 30.949 0.3 . 1 . . . . 117 P CB . 16266 1 1267 . 1 1 117 117 PRO CD C 13 49.655 0.3 . 1 . . . . 117 P CD . 16266 1 1268 . 1 1 117 117 PRO CG C 13 27.774 0.3 . 1 . . . . 117 P CG . 16266 1 1269 . 1 1 118 118 GLU H H 1 10.821 0.02 . 1 . . . . 118 E HN . 16266 1 1270 . 1 1 118 118 GLU HA H 1 4.197 0.02 . 1 . . . . 118 E HA . 16266 1 1271 . 1 1 118 118 GLU C C 13 176.627 0.3 . 1 . . . . 118 E C . 16266 1 1272 . 1 1 118 118 GLU CA C 13 58.045 0.3 . 1 . . . . 118 E CA . 16266 1 1273 . 1 1 118 118 GLU CB C 13 27.101 0.3 . 1 . . . . 118 E CB . 16266 1 1274 . 1 1 118 118 GLU N N 15 119.242 0.3 . 1 . . . . 118 E N . 16266 1 1275 . 1 1 119 119 MET H H 1 7.226 0.02 . 1 . . . . 119 M HN . 16266 1 1276 . 1 1 119 119 MET HA H 1 4.591 0.02 . 1 . . . . 119 M HA . 16266 1 1277 . 1 1 119 119 MET HB2 H 1 2.228 0.02 . 2 . . . . 119 M HB1 . 16266 1 1278 . 1 1 119 119 MET HG2 H 1 2.967 0.02 . 2 . . . . 119 M HG1 . 16266 1 1279 . 1 1 119 119 MET C C 13 180.024 0.3 . 1 . . . . 119 M C . 16266 1 1280 . 1 1 119 119 MET CA C 13 54.695 0.3 . 1 . . . . 119 M CA . 16266 1 1281 . 1 1 119 119 MET CB C 13 31.012 0.3 . 1 . . . . 119 M CB . 16266 1 1282 . 1 1 119 119 MET CG C 13 32.614 0.3 . 1 . . . . 119 M CG . 16266 1 1283 . 1 1 119 119 MET N N 15 119.475 0.3 . 1 . . . . 119 M N . 16266 1 1284 . 1 1 120 120 ARG H H 1 7.877 0.02 . 1 . . . . 120 R HN . 16266 1 1285 . 1 1 120 120 ARG HA H 1 3.988 0.02 . 1 . . . . 120 R HA . 16266 1 1286 . 1 1 120 120 ARG HB2 H 1 1.984 0.02 . 2 . . . . 120 R HB1 . 16266 1 1287 . 1 1 120 120 ARG HB3 H 1 1.837 0.02 . 2 . . . . 120 R HB2 . 16266 1 1288 . 1 1 120 120 ARG HD2 H 1 2.957 0.02 . 2 . . . . 120 R HD1 . 16266 1 1289 . 1 1 120 120 ARG HD3 H 1 2.737 0.02 . 2 . . . . 120 R HD2 . 16266 1 1290 . 1 1 120 120 ARG HG2 H 1 1.571 0.02 . 2 . . . . 120 R HG1 . 16266 1 1291 . 1 1 120 120 ARG HG3 H 1 1.230 0.02 . 2 . . . . 120 R HG2 . 16266 1 1292 . 1 1 120 120 ARG C C 13 177.705 0.3 . 1 . . . . 120 R C . 16266 1 1293 . 1 1 120 120 ARG CA C 13 60.773 0.3 . 1 . . . . 120 R CA . 16266 1 1294 . 1 1 120 120 ARG CB C 13 31.159 0.3 . 1 . . . . 120 R CB . 16266 1 1295 . 1 1 120 120 ARG N N 15 122.099 0.3 . 1 . . . . 120 R N . 16266 1 1296 . 1 1 121 121 LEU H H 1 6.732 0.02 . 1 . . . . 121 L HN . 16266 1 1297 . 1 1 121 121 LEU HA H 1 4.170 0.02 . 1 . . . . 121 L HA . 16266 1 1298 . 1 1 121 121 LEU HB2 H 1 1.740 0.02 . 2 . . . . 121 L HB1 . 16266 1 1299 . 1 1 121 121 LEU HB3 H 1 1.597 0.02 . 2 . . . . 121 L HB2 . 16266 1 1300 . 1 1 121 121 LEU HD11 H 1 1.034 0.02 . 2 . . . . 121 L HD11 . 16266 1 1301 . 1 1 121 121 LEU HD12 H 1 1.034 0.02 . 2 . . . . 121 L HD11 . 16266 1 1302 . 1 1 121 121 LEU HD13 H 1 1.034 0.02 . 2 . . . . 121 L HD11 . 16266 1 1303 . 1 1 121 121 LEU HD21 H 1 0.938 0.02 . 2 . . . . 121 L HD21 . 16266 1 1304 . 1 1 121 121 LEU HD22 H 1 0.938 0.02 . 2 . . . . 121 L HD21 . 16266 1 1305 . 1 1 121 121 LEU HD23 H 1 0.938 0.02 . 2 . . . . 121 L HD21 . 16266 1 1306 . 1 1 121 121 LEU HG H 1 1.611 0.02 . 1 . . . . 121 L HG . 16266 1 1307 . 1 1 121 121 LEU C C 13 176.220 0.3 . 1 . . . . 121 L C . 16266 1 1308 . 1 1 121 121 LEU CA C 13 57.370 0.3 . 1 . . . . 121 L CA . 16266 1 1309 . 1 1 121 121 LEU CB C 13 42.945 0.3 . 1 . . . . 121 L CB . 16266 1 1310 . 1 1 121 121 LEU CD1 C 13 25.908 0.3 . 2 . . . . 121 L CD1 . 16266 1 1311 . 1 1 121 121 LEU CD2 C 13 24.421 0.3 . 2 . . . . 121 L CD2 . 16266 1 1312 . 1 1 121 121 LEU N N 15 114.436 0.3 . 1 . . . . 121 L N . 16266 1 1313 . 1 1 122 122 LYS H H 1 7.555 0.02 . 1 . . . . 122 K HN . 16266 1 1314 . 1 1 122 122 LYS HA H 1 4.338 0.02 . 1 . . . . 122 K HA . 16266 1 1315 . 1 1 122 122 LYS HB2 H 1 2.083 0.02 . 2 . . . . 122 K HB1 . 16266 1 1316 . 1 1 122 122 LYS HD2 H 1 1.912 0.02 . 2 . . . . 122 K HD1 . 16266 1 1317 . 1 1 122 122 LYS HD3 H 1 1.745 0.02 . 2 . . . . 122 K HD2 . 16266 1 1318 . 1 1 122 122 LYS HE2 H 1 3.108 0.02 . 2 . . . . 122 K HE1 . 16266 1 1319 . 1 1 122 122 LYS HG2 H 1 1.597 0.02 . 2 . . . . 122 K HG1 . 16266 1 1320 . 1 1 122 122 LYS HG3 H 1 1.511 0.02 . 2 . . . . 122 K HG2 . 16266 1 1321 . 1 1 122 122 LYS C C 13 176.969 0.3 . 1 . . . . 122 K C . 16266 1 1322 . 1 1 122 122 LYS CA C 13 55.621 0.3 . 1 . . . . 122 K CA . 16266 1 1323 . 1 1 122 122 LYS CB C 13 32.414 0.3 . 1 . . . . 122 K CB . 16266 1 1324 . 1 1 122 122 LYS CD C 13 28.616 0.3 . 1 . . . . 122 K CD . 16266 1 1325 . 1 1 122 122 LYS CE C 13 41.838 0.3 . 1 . . . . 122 K CE . 16266 1 1326 . 1 1 122 122 LYS CG C 13 24.720 0.3 . 1 . . . . 122 K CG . 16266 1 1327 . 1 1 122 122 LYS N N 15 115.754 0.3 . 1 . . . . 122 K N . 16266 1 1328 . 1 1 123 123 LYS H H 1 7.688 0.02 . 1 . . . . 123 K HN . 16266 1 1329 . 1 1 123 123 LYS HA H 1 4.535 0.02 . 1 . . . . 123 K HA . 16266 1 1330 . 1 1 123 123 LYS CA C 13 58.461 0.3 . 1 . . . . 123 K CA . 16266 1 1331 . 1 1 123 123 LYS CB C 13 33.138 0.3 . 1 . . . . 123 K CB . 16266 1 1332 . 1 1 123 123 LYS N N 15 120.843 0.3 . 1 . . . . 123 K N . 16266 1 1333 . 1 1 126 126 ARG HA H 1 4.347 0.02 . 1 . . . . 126 R HA . 16266 1 1334 . 1 1 126 126 ARG HB2 H 1 1.862 0.02 . 2 . . . . 126 R HB1 . 16266 1 1335 . 1 1 126 126 ARG HB3 H 1 1.733 0.02 . 2 . . . . 126 R HB2 . 16266 1 1336 . 1 1 126 126 ARG HD2 H 1 3.195 0.02 . 2 . . . . 126 R HD1 . 16266 1 1337 . 1 1 126 126 ARG HG2 H 1 1.564 0.02 . 2 . . . . 126 R HG1 . 16266 1 1338 . 1 1 126 126 ARG C C 13 174.573 0.3 . 1 . . . . 126 R C . 16266 1 1339 . 1 1 126 126 ARG CA C 13 55.998 0.3 . 1 . . . . 126 R CA . 16266 1 1340 . 1 1 126 126 ARG CB C 13 31.569 0.3 . 1 . . . . 126 R CB . 16266 1 1341 . 1 1 126 126 ARG CD C 13 43.419 0.3 . 1 . . . . 126 R CD . 16266 1 1342 . 1 1 126 126 ARG CG C 13 26.794 0.3 . 1 . . . . 126 R CG . 16266 1 1343 . 1 1 127 127 LYS H H 1 7.741 0.02 . 1 . . . . 127 K HN . 16266 1 1344 . 1 1 127 127 LYS HA H 1 4.050 0.02 . 1 . . . . 127 K HA . 16266 1 1345 . 1 1 127 127 LYS HB2 H 1 1.744 0.02 . 2 . . . . 127 K HB1 . 16266 1 1346 . 1 1 127 127 LYS CA C 13 57.988 0.3 . 1 . . . . 127 K CA . 16266 1 1347 . 1 1 127 127 LYS CB C 13 33.621 0.3 . 1 . . . . 127 K CB . 16266 1 1348 . 1 1 127 127 LYS N N 15 127.991 0.3 . 1 . . . . 127 K N . 16266 1 1349 . 2 2 1 1 MET C C 13 179.364 0.3 . 1 . . . . 301 M C . 16266 1 1350 . 2 2 1 1 MET CA C 13 57.970 0.3 . 1 . . . . 301 M CA . 16266 1 1351 . 2 2 2 2 ALA H H 1 8.331 0.02 . 1 . . . . 302 A HN . 16266 1 1352 . 2 2 2 2 ALA C C 13 179.967 0.3 . 1 . . . . 302 A C . 16266 1 1353 . 2 2 2 2 ALA CA C 13 55.031 0.3 . 1 . . . . 302 A CA . 16266 1 1354 . 2 2 2 2 ALA CB C 13 18.455 0.3 . 1 . . . . 302 A CB . 16266 1 1355 . 2 2 2 2 ALA N N 15 126.174 0.3 . 1 . . . . 302 A N . 16266 1 1356 . 2 2 3 3 LYS H H 1 8.458 0.02 . 1 . . . . 303 K HN . 16266 1 1357 . 2 2 3 3 LYS HB2 H 1 1.721 0.02 . 2 . . . . 303 K HB1 . 16266 1 1358 . 2 2 3 3 LYS CA C 13 57.043 0.3 . 1 . . . . 303 K CA . 16266 1 1359 . 2 2 3 3 LYS N N 15 118.539 0.3 . 1 . . . . 303 K N . 16266 1 1360 . 2 2 9 9 GLU HA H 1 4.305 0.02 . 1 . . . . 309 E HA . 16266 1 1361 . 2 2 9 9 GLU HB2 H 1 2.132 0.02 . 2 . . . . 309 E HB1 . 16266 1 1362 . 2 2 9 9 GLU HG2 H 1 2.392 0.02 . 2 . . . . 309 E HG1 . 16266 1 1363 . 2 2 9 9 GLU HG3 H 1 2.500 0.02 . 2 . . . . 309 E HG2 . 16266 1 1364 . 2 2 9 9 GLU C C 13 178.673 0.3 . 1 . . . . 309 E C . 16266 1 1365 . 2 2 9 9 GLU CA C 13 58.902 0.3 . 1 . . . . 309 E CA . 16266 1 1366 . 2 2 9 9 GLU CB C 13 29.308 0.3 . 1 . . . . 309 E CB . 16266 1 1367 . 2 2 9 9 GLU CG C 13 35.555 0.3 . 1 . . . . 309 E CG . 16266 1 1368 . 2 2 10 10 LYS H H 1 8.147 0.02 . 1 . . . . 310 K HN . 16266 1 1369 . 2 2 10 10 LYS HA H 1 3.658 0.02 . 1 . . . . 310 K HA . 16266 1 1370 . 2 2 10 10 LYS HB2 H 1 1.696 0.02 . 2 . . . . 310 K HB1 . 16266 1 1371 . 2 2 10 10 LYS HG2 H 1 1.590 0.02 . 2 . . . . 310 K HG1 . 16266 1 1372 . 2 2 10 10 LYS C C 13 178.590 0.3 . 1 . . . . 310 K C . 16266 1 1373 . 2 2 10 10 LYS CA C 13 60.240 0.3 . 1 . . . . 310 K CA . 16266 1 1374 . 2 2 10 10 LYS CB C 13 32.122 0.3 . 1 . . . . 310 K CB . 16266 1 1375 . 2 2 10 10 LYS CD C 13 29.234 0.3 . 1 . . . . 310 K CD . 16266 1 1376 . 2 2 10 10 LYS CG C 13 25.287 0.3 . 1 . . . . 310 K CG . 16266 1 1377 . 2 2 10 10 LYS N N 15 118.293 0.3 . 1 . . . . 310 K N . 16266 1 1378 . 2 2 11 11 LYS H H 1 7.624 0.02 . 1 . . . . 311 K HN . 16266 1 1379 . 2 2 11 11 LYS HA H 1 3.978 0.02 . 1 . . . . 311 K HA . 16266 1 1380 . 2 2 11 11 LYS HB2 H 1 2.069 0.02 . 2 . . . . 311 K HB1 . 16266 1 1381 . 2 2 11 11 LYS HB3 H 1 1.890 0.02 . 2 . . . . 311 K HB2 . 16266 1 1382 . 2 2 11 11 LYS HD2 H 1 1.790 0.02 . 2 . . . . 311 K HD1 . 16266 1 1383 . 2 2 11 11 LYS HE2 H 1 3.137 0.02 . 2 . . . . 311 K HE1 . 16266 1 1384 . 2 2 11 11 LYS HG2 H 1 1.718 0.02 . 2 . . . . 311 K HG1 . 16266 1 1385 . 2 2 11 11 LYS HG3 H 1 1.511 0.02 . 2 . . . . 311 K HG2 . 16266 1 1386 . 2 2 11 11 LYS C C 13 178.159 0.3 . 1 . . . . 311 K C . 16266 1 1387 . 2 2 11 11 LYS CA C 13 60.008 0.3 . 1 . . . . 311 K CA . 16266 1 1388 . 2 2 11 11 LYS CB C 13 32.171 0.3 . 1 . . . . 311 K CB . 16266 1 1389 . 2 2 11 11 LYS CD C 13 29.165 0.3 . 1 . . . . 311 K CD . 16266 1 1390 . 2 2 11 11 LYS CG C 13 26.046 0.3 . 1 . . . . 311 K CG . 16266 1 1391 . 2 2 11 11 LYS N N 15 118.842 0.3 . 1 . . . . 311 K N . 16266 1 1392 . 2 2 12 12 ARG H H 1 7.676 0.02 . 1 . . . . 312 R HN . 16266 1 1393 . 2 2 12 12 ARG HA H 1 4.001 0.02 . 1 . . . . 312 R HA . 16266 1 1394 . 2 2 12 12 ARG HB2 H 1 2.157 0.02 . 2 . . . . 312 R HB1 . 16266 1 1395 . 2 2 12 12 ARG HB3 H 1 2.017 0.02 . 2 . . . . 312 R HB2 . 16266 1 1396 . 2 2 12 12 ARG HD2 H 1 3.475 0.02 . 2 . . . . 312 R HD1 . 16266 1 1397 . 2 2 12 12 ARG HD3 H 1 3.316 0.02 . 2 . . . . 312 R HD2 . 16266 1 1398 . 2 2 12 12 ARG HG2 H 1 1.955 0.02 . 2 . . . . 312 R HG1 . 16266 1 1399 . 2 2 12 12 ARG HG3 H 1 1.790 0.02 . 2 . . . . 312 R HG2 . 16266 1 1400 . 2 2 12 12 ARG C C 13 179.624 0.3 . 1 . . . . 312 R C . 16266 1 1401 . 2 2 12 12 ARG CA C 13 60.080 0.3 . 1 . . . . 312 R CA . 16266 1 1402 . 2 2 12 12 ARG CB C 13 29.609 0.3 . 1 . . . . 312 R CB . 16266 1 1403 . 2 2 12 12 ARG CD C 13 43.323 0.3 . 1 . . . . 312 R CD . 16266 1 1404 . 2 2 12 12 ARG CG C 13 27.260 0.3 . 1 . . . . 312 R CG . 16266 1 1405 . 2 2 12 12 ARG N N 15 120.468 0.3 . 1 . . . . 312 R N . 16266 1 1406 . 2 2 13 13 ILE H H 1 8.419 0.02 . 1 . . . . 313 I HN . 16266 1 1407 . 2 2 13 13 ILE HA H 1 3.514 0.02 . 1 . . . . 313 I HA . 16266 1 1408 . 2 2 13 13 ILE HB H 1 1.821 0.02 . 1 . . . . 313 I HB . 16266 1 1409 . 2 2 13 13 ILE HD11 H 1 0.266 0.02 . 1 . . . . 313 I HD11 . 16266 1 1410 . 2 2 13 13 ILE HD12 H 1 0.266 0.02 . 1 . . . . 313 I HD11 . 16266 1 1411 . 2 2 13 13 ILE HD13 H 1 0.266 0.02 . 1 . . . . 313 I HD11 . 16266 1 1412 . 2 2 13 13 ILE HG12 H 1 1.091 0.02 . 2 . . . . 313 I HG11 . 16266 1 1413 . 2 2 13 13 ILE HG21 H 1 1.234 0.02 . 1 . . . . 313 I HG21 . 16266 1 1414 . 2 2 13 13 ILE HG22 H 1 1.234 0.02 . 1 . . . . 313 I HG21 . 16266 1 1415 . 2 2 13 13 ILE HG23 H 1 1.234 0.02 . 1 . . . . 313 I HG21 . 16266 1 1416 . 2 2 13 13 ILE C C 13 177.563 0.3 . 1 . . . . 313 I C . 16266 1 1417 . 2 2 13 13 ILE CA C 13 64.927 0.3 . 1 . . . . 313 I CA . 16266 1 1418 . 2 2 13 13 ILE CB C 13 38.146 0.3 . 1 . . . . 313 I CB . 16266 1 1419 . 2 2 13 13 ILE CD1 C 13 13.662 0.3 . 1 . . . . 313 I CD1 . 16266 1 1420 . 2 2 13 13 ILE CG1 C 13 29.666 0.3 . 1 . . . . 313 I CG1 . 16266 1 1421 . 2 2 13 13 ILE CG2 C 13 15.554 0.3 . 1 . . . . 313 I CG2 . 16266 1 1422 . 2 2 13 13 ILE N N 15 120.255 0.3 . 1 . . . . 313 I N . 16266 1 1423 . 2 2 14 14 ALA H H 1 8.449 0.02 . 1 . . . . 314 A HN . 16266 1 1424 . 2 2 14 14 ALA HA H 1 3.660 0.02 . 1 . . . . 314 A HA . 16266 1 1425 . 2 2 14 14 ALA HB1 H 1 1.381 0.02 . 1 . . . . 314 A HB1 . 16266 1 1426 . 2 2 14 14 ALA HB2 H 1 1.381 0.02 . 1 . . . . 314 A HB1 . 16266 1 1427 . 2 2 14 14 ALA HB3 H 1 1.381 0.02 . 1 . . . . 314 A HB1 . 16266 1 1428 . 2 2 14 14 ALA C C 13 178.508 0.3 . 1 . . . . 314 A C . 16266 1 1429 . 2 2 14 14 ALA CA C 13 55.861 0.3 . 1 . . . . 314 A CA . 16266 1 1430 . 2 2 14 14 ALA CB C 13 19.135 0.3 . 1 . . . . 314 A CB . 16266 1 1431 . 2 2 14 14 ALA N N 15 122.004 0.3 . 1 . . . . 314 A N . 16266 1 1432 . 2 2 15 15 LYS H H 1 7.623 0.02 . 1 . . . . 315 K HN . 16266 1 1433 . 2 2 15 15 LYS HA H 1 3.948 0.02 . 1 . . . . 315 K HA . 16266 1 1434 . 2 2 15 15 LYS HB2 H 1 2.037 0.02 . 2 . . . . 315 K HB1 . 16266 1 1435 . 2 2 15 15 LYS HD2 H 1 1.874 0.02 . 2 . . . . 315 K HD1 . 16266 1 1436 . 2 2 15 15 LYS HE2 H 1 3.089 0.02 . 2 . . . . 315 K HE1 . 16266 1 1437 . 2 2 15 15 LYS HG2 H 1 1.609 0.02 . 2 . . . . 315 K HG1 . 16266 1 1438 . 2 2 15 15 LYS C C 13 179.104 0.3 . 1 . . . . 315 K C . 16266 1 1439 . 2 2 15 15 LYS CA C 13 60.548 0.3 . 1 . . . . 315 K CA . 16266 1 1440 . 2 2 15 15 LYS CB C 13 32.171 0.3 . 1 . . . . 315 K CB . 16266 1 1441 . 2 2 15 15 LYS CD C 13 29.614 0.3 . 1 . . . . 315 K CD . 16266 1 1442 . 2 2 15 15 LYS CG C 13 25.328 0.3 . 1 . . . . 315 K CG . 16266 1 1443 . 2 2 15 15 LYS N N 15 115.658 0.3 . 1 . . . . 315 K N . 16266 1 1444 . 2 2 16 16 GLU H H 1 7.848 0.02 . 1 . . . . 316 E HN . 16266 1 1445 . 2 2 16 16 GLU HA H 1 4.245 0.02 . 1 . . . . 316 E HA . 16266 1 1446 . 2 2 16 16 GLU HB2 H 1 2.467 0.02 . 2 . . . . 316 E HB1 . 16266 1 1447 . 2 2 16 16 GLU HB3 H 1 2.255 0.02 . 2 . . . . 316 E HB2 . 16266 1 1448 . 2 2 16 16 GLU HG2 H 1 2.745 0.02 . 2 . . . . 316 E HG1 . 16266 1 1449 . 2 2 16 16 GLU HG3 H 1 2.391 0.02 . 2 . . . . 316 E HG2 . 16266 1 1450 . 2 2 16 16 GLU C C 13 179.104 0.3 . 1 . . . . 316 E C . 16266 1 1451 . 2 2 16 16 GLU CA C 13 59.923 0.3 . 1 . . . . 316 E CA . 16266 1 1452 . 2 2 16 16 GLU CB C 13 30.551 0.3 . 1 . . . . 316 E CB . 16266 1 1453 . 2 2 16 16 GLU CG C 13 37.427 0.3 . 1 . . . . 316 E CG . 16266 1 1454 . 2 2 16 16 GLU N N 15 120.468 0.3 . 1 . . . . 316 E N . 16266 1 1455 . 2 2 17 17 ARG H H 1 8.948 0.02 . 1 . . . . 317 R HN . 16266 1 1456 . 2 2 17 17 ARG HA H 1 3.867 0.02 . 1 . . . . 317 R HA . 16266 1 1457 . 2 2 17 17 ARG HB2 H 1 1.776 0.02 . 2 . . . . 317 R HB1 . 16266 1 1458 . 2 2 17 17 ARG HD2 H 1 3.205 0.02 . 2 . . . . 317 R HD1 . 16266 1 1459 . 2 2 17 17 ARG HG2 H 1 1.608 0.02 . 2 . . . . 317 R HG1 . 16266 1 1460 . 2 2 17 17 ARG C C 13 177.379 0.3 . 1 . . . . 317 R C . 16266 1 1461 . 2 2 17 17 ARG CA C 13 61.171 0.3 . 1 . . . . 317 R CA . 16266 1 1462 . 2 2 17 17 ARG CB C 13 28.987 0.3 . 1 . . . . 317 R CB . 16266 1 1463 . 2 2 17 17 ARG CD C 13 43.358 0.3 . 1 . . . . 317 R CD . 16266 1 1464 . 2 2 17 17 ARG CG C 13 27.108 0.3 . 1 . . . . 317 R CG . 16266 1 1465 . 2 2 17 17 ARG N N 15 117.945 0.3 . 1 . . . . 317 R N . 16266 1 1466 . 2 2 18 18 ILE H H 1 7.869 0.02 . 1 . . . . 318 I HN . 16266 1 1467 . 2 2 18 18 ILE HA H 1 3.542 0.02 . 1 . . . . 318 I HA . 16266 1 1468 . 2 2 18 18 ILE HB H 1 2.007 0.02 . 1 . . . . 318 I HB . 16266 1 1469 . 2 2 18 18 ILE HD11 H 1 0.760 0.02 . 1 . . . . 318 I HD11 . 16266 1 1470 . 2 2 18 18 ILE HD12 H 1 0.760 0.02 . 1 . . . . 318 I HD11 . 16266 1 1471 . 2 2 18 18 ILE HD13 H 1 0.760 0.02 . 1 . . . . 318 I HD11 . 16266 1 1472 . 2 2 18 18 ILE HG12 H 1 1.104 0.02 . 2 . . . . 318 I HG11 . 16266 1 1473 . 2 2 18 18 ILE HG21 H 1 1.178 0.02 . 1 . . . . 318 I HG21 . 16266 1 1474 . 2 2 18 18 ILE HG22 H 1 1.178 0.02 . 1 . . . . 318 I HG21 . 16266 1 1475 . 2 2 18 18 ILE HG23 H 1 1.178 0.02 . 1 . . . . 318 I HG21 . 16266 1 1476 . 2 2 18 18 ILE C C 13 176.789 0.3 . 1 . . . . 318 I C . 16266 1 1477 . 2 2 18 18 ILE CA C 13 66.173 0.3 . 1 . . . . 318 I CA . 16266 1 1478 . 2 2 18 18 ILE CB C 13 38.666 0.3 . 1 . . . . 318 I CB . 16266 1 1479 . 2 2 18 18 ILE CD1 C 13 14.918 0.3 . 1 . . . . 318 I CD1 . 16266 1 1480 . 2 2 18 18 ILE CG1 C 13 29.637 0.3 . 1 . . . . 318 I CG1 . 16266 1 1481 . 2 2 18 18 ILE CG2 C 13 18.680 0.3 . 1 . . . . 318 I CG2 . 16266 1 1482 . 2 2 18 18 ILE N N 15 116.969 0.3 . 1 . . . . 318 I N . 16266 1 1483 . 2 2 19 19 ASP H H 1 7.594 0.02 . 1 . . . . 319 D HN . 16266 1 1484 . 2 2 19 19 ASP HA H 1 4.615 0.02 . 1 . . . . 319 D HA . 16266 1 1485 . 2 2 19 19 ASP HB2 H 1 3.027 0.02 . 2 . . . . 319 D HB1 . 16266 1 1486 . 2 2 19 19 ASP HB3 H 1 2.956 0.02 . 2 . . . . 319 D HB2 . 16266 1 1487 . 2 2 19 19 ASP C C 13 179.282 0.3 . 1 . . . . 319 D C . 16266 1 1488 . 2 2 19 19 ASP CA C 13 57.766 0.3 . 1 . . . . 319 D CA . 16266 1 1489 . 2 2 19 19 ASP CB C 13 42.441 0.3 . 1 . . . . 319 D CB . 16266 1 1490 . 2 2 19 19 ASP N N 15 118.495 0.3 . 1 . . . . 319 D N . 16266 1 1491 . 2 2 20 20 ILE H H 1 8.570 0.02 . 1 . . . . 320 I HN . 16266 1 1492 . 2 2 20 20 ILE HA H 1 3.542 0.02 . 1 . . . . 320 I HA . 16266 1 1493 . 2 2 20 20 ILE HB H 1 1.905 0.02 . 1 . . . . 320 I HB . 16266 1 1494 . 2 2 20 20 ILE HD11 H 1 0.908 0.02 . 1 . . . . 320 I HD11 . 16266 1 1495 . 2 2 20 20 ILE HD12 H 1 0.908 0.02 . 1 . . . . 320 I HD11 . 16266 1 1496 . 2 2 20 20 ILE HD13 H 1 0.908 0.02 . 1 . . . . 320 I HD11 . 16266 1 1497 . 2 2 20 20 ILE HG21 H 1 0.602 0.02 . 1 . . . . 320 I HG21 . 16266 1 1498 . 2 2 20 20 ILE HG22 H 1 0.602 0.02 . 1 . . . . 320 I HG21 . 16266 1 1499 . 2 2 20 20 ILE HG23 H 1 0.602 0.02 . 1 . . . . 320 I HG21 . 16266 1 1500 . 2 2 20 20 ILE C C 13 177.309 0.3 . 1 . . . . 320 I C . 16266 1 1501 . 2 2 20 20 ILE CA C 13 66.003 0.3 . 1 . . . . 320 I CA . 16266 1 1502 . 2 2 20 20 ILE CB C 13 38.675 0.3 . 1 . . . . 320 I CB . 16266 1 1503 . 2 2 20 20 ILE CD1 C 13 12.735 0.3 . 1 . . . . 320 I CD1 . 16266 1 1504 . 2 2 20 20 ILE CG1 C 13 30.663 0.3 . 1 . . . . 320 I CG1 . 16266 1 1505 . 2 2 20 20 ILE CG2 C 13 16.964 0.3 . 1 . . . . 320 I CG2 . 16266 1 1506 . 2 2 20 20 ILE N N 15 122.811 0.3 . 1 . . . . 320 I N . 16266 1 1507 . 2 2 21 21 LEU H H 1 8.481 0.02 . 1 . . . . 321 L HN . 16266 1 1508 . 2 2 21 21 LEU HA H 1 3.644 0.02 . 1 . . . . 321 L HA . 16266 1 1509 . 2 2 21 21 LEU HB2 H 1 1.660 0.02 . 2 . . . . 321 L HB1 . 16266 1 1510 . 2 2 21 21 LEU HD11 H 1 0.763 0.02 . 2 . . . . 321 L HD11 . 16266 1 1511 . 2 2 21 21 LEU HD12 H 1 0.763 0.02 . 2 . . . . 321 L HD11 . 16266 1 1512 . 2 2 21 21 LEU HD13 H 1 0.763 0.02 . 2 . . . . 321 L HD11 . 16266 1 1513 . 2 2 21 21 LEU HD21 H 1 0.675 0.02 . 2 . . . . 321 L HD21 . 16266 1 1514 . 2 2 21 21 LEU HD22 H 1 0.675 0.02 . 2 . . . . 321 L HD21 . 16266 1 1515 . 2 2 21 21 LEU HD23 H 1 0.675 0.02 . 2 . . . . 321 L HD21 . 16266 1 1516 . 2 2 21 21 LEU HG H 1 1.143 0.02 . 1 . . . . 321 L HG . 16266 1 1517 . 2 2 21 21 LEU C C 13 179.574 0.3 . 1 . . . . 321 L C . 16266 1 1518 . 2 2 21 21 LEU CA C 13 58.701 0.3 . 1 . . . . 321 L CA . 16266 1 1519 . 2 2 21 21 LEU CB C 13 42.109 0.3 . 1 . . . . 321 L CB . 16266 1 1520 . 2 2 21 21 LEU CD1 C 13 24.611 0.3 . 2 . . . . 321 L CD1 . 16266 1 1521 . 2 2 21 21 LEU CD2 C 13 21.524 0.3 . 2 . . . . 321 L CD2 . 16266 1 1522 . 2 2 21 21 LEU CG C 13 27.737 0.3 . 1 . . . . 321 L CG . 16266 1 1523 . 2 2 21 21 LEU N N 15 121.342 0.3 . 1 . . . . 321 L N . 16266 1 1524 . 2 2 22 22 PHE H H 1 7.891 0.02 . 1 . . . . 322 F HN . 16266 1 1525 . 2 2 22 22 PHE HA H 1 3.537 0.02 . 1 . . . . 322 F HA . 16266 1 1526 . 2 2 22 22 PHE HB2 H 1 1.266 0.02 . 2 . . . . 322 F HB1 . 16266 1 1527 . 2 2 22 22 PHE HB3 H 1 0.454 0.02 . 2 . . . . 322 F HB2 . 16266 1 1528 . 2 2 22 22 PHE HD1 H 1 7.037 0.02 . 3 . . . . 322 F HD1 . 16266 1 1529 . 2 2 22 22 PHE HE1 H 1 7.903 0.02 . 3 . . . . 322 F HE1 . 16266 1 1530 . 2 2 22 22 PHE C C 13 177.468 0.3 . 1 . . . . 322 F C . 16266 1 1531 . 2 2 22 22 PHE CA C 13 62.907 0.3 . 1 . . . . 322 F CA . 16266 1 1532 . 2 2 22 22 PHE CB C 13 35.864 0.3 . 1 . . . . 322 F CB . 16266 1 1533 . 2 2 22 22 PHE N N 15 116.746 0.3 . 1 . . . . 322 F N . 16266 1 1534 . 2 2 23 23 SER H H 1 7.774 0.02 . 1 . . . . 323 S HN . 16266 1 1535 . 2 2 23 23 SER HA H 1 4.347 0.02 . 1 . . . . 323 S HA . 16266 1 1536 . 2 2 23 23 SER HB2 H 1 3.991 0.02 . 2 . . . . 323 S HB1 . 16266 1 1537 . 2 2 23 23 SER C C 13 177.905 0.3 . 1 . . . . 323 S C . 16266 1 1538 . 2 2 23 23 SER CA C 13 62.615 0.3 . 1 . . . . 323 S CA . 16266 1 1539 . 2 2 23 23 SER CB C 13 62.596 0.3 . 1 . . . . 323 S CB . 16266 1 1540 . 2 2 23 23 SER N N 15 114.784 0.3 . 1 . . . . 323 S N . 16266 1 1541 . 2 2 24 24 LEU H H 1 8.583 0.02 . 1 . . . . 324 L HN . 16266 1 1542 . 2 2 24 24 LEU HA H 1 3.862 0.02 . 1 . . . . 324 L HA . 16266 1 1543 . 2 2 24 24 LEU HB2 H 1 1.748 0.02 . 2 . . . . 324 L HB1 . 16266 1 1544 . 2 2 24 24 LEU HD11 H 1 0.533 0.02 . 2 . . . . 324 L HD11 . 16266 1 1545 . 2 2 24 24 LEU HD12 H 1 0.533 0.02 . 2 . . . . 324 L HD11 . 16266 1 1546 . 2 2 24 24 LEU HD13 H 1 0.533 0.02 . 2 . . . . 324 L HD11 . 16266 1 1547 . 2 2 24 24 LEU HD21 H 1 0.682 0.02 . 2 . . . . 324 L HD21 . 16266 1 1548 . 2 2 24 24 LEU HD22 H 1 0.682 0.02 . 2 . . . . 324 L HD21 . 16266 1 1549 . 2 2 24 24 LEU HD23 H 1 0.682 0.02 . 2 . . . . 324 L HD21 . 16266 1 1550 . 2 2 24 24 LEU HG H 1 1.216 0.02 . 1 . . . . 324 L HG . 16266 1 1551 . 2 2 24 24 LEU C C 13 178.514 0.3 . 1 . . . . 324 L C . 16266 1 1552 . 2 2 24 24 LEU CA C 13 57.738 0.3 . 1 . . . . 324 L CA . 16266 1 1553 . 2 2 24 24 LEU CB C 13 42.083 0.3 . 1 . . . . 324 L CB . 16266 1 1554 . 2 2 24 24 LEU CD1 C 13 26.480 0.3 . 2 . . . . 324 L CD1 . 16266 1 1555 . 2 2 24 24 LEU CD2 C 13 24.299 0.3 . 2 . . . . 324 L CD2 . 16266 1 1556 . 2 2 24 24 LEU CG C 13 28.680 0.3 . 1 . . . . 324 L CG . 16266 1 1557 . 2 2 24 24 LEU N N 15 123.966 0.3 . 1 . . . . 324 L N . 16266 1 1558 . 2 2 25 25 ALA H H 1 8.412 0.02 . 1 . . . . 325 A HN . 16266 1 1559 . 2 2 25 25 ALA HA H 1 3.896 0.02 . 1 . . . . 325 A HA . 16266 1 1560 . 2 2 25 25 ALA HB1 H 1 1.173 0.02 . 1 . . . . 325 A HB1 . 16266 1 1561 . 2 2 25 25 ALA HB2 H 1 1.173 0.02 . 1 . . . . 325 A HB1 . 16266 1 1562 . 2 2 25 25 ALA HB3 H 1 1.173 0.02 . 1 . . . . 325 A HB1 . 16266 1 1563 . 2 2 25 25 ALA C C 13 177.816 0.3 . 1 . . . . 325 A C . 16266 1 1564 . 2 2 25 25 ALA CA C 13 55.553 0.3 . 1 . . . . 325 A CA . 16266 1 1565 . 2 2 25 25 ALA CB C 13 17.738 0.3 . 1 . . . . 325 A CB . 16266 1 1566 . 2 2 25 25 ALA N N 15 124.739 0.3 . 1 . . . . 325 A N . 16266 1 1567 . 2 2 26 26 GLU H H 1 7.631 0.02 . 1 . . . . 326 E HN . 16266 1 1568 . 2 2 26 26 GLU HA H 1 3.632 0.02 . 1 . . . . 326 E HA . 16266 1 1569 . 2 2 26 26 GLU HB2 H 1 2.495 0.02 . 2 . . . . 326 E HB1 . 16266 1 1570 . 2 2 26 26 GLU HB3 H 1 2.344 0.02 . 2 . . . . 326 E HB2 . 16266 1 1571 . 2 2 26 26 GLU HG2 H 1 2.537 0.02 . 2 . . . . 326 E HG1 . 16266 1 1572 . 2 2 26 26 GLU C C 13 178.850 0.3 . 1 . . . . 326 E C . 16266 1 1573 . 2 2 26 26 GLU CA C 13 59.093 0.3 . 1 . . . . 326 E CA . 16266 1 1574 . 2 2 26 26 GLU CB C 13 30.246 0.3 . 1 . . . . 326 E CB . 16266 1 1575 . 2 2 26 26 GLU CG C 13 36.800 0.3 . 1 . . . . 326 E CG . 16266 1 1576 . 2 2 26 26 GLU N N 15 116.275 0.3 . 1 . . . . 326 E N . 16266 1 1577 . 2 2 27 27 ARG H H 1 7.428 0.02 . 1 . . . . 327 R HN . 16266 1 1578 . 2 2 27 27 ARG HA H 1 4.173 0.02 . 1 . . . . 327 R HA . 16266 1 1579 . 2 2 27 27 ARG HB2 H 1 1.832 0.02 . 2 . . . . 327 R HB1 . 16266 1 1580 . 2 2 27 27 ARG HD2 H 1 3.253 0.02 . 2 . . . . 327 R HD1 . 16266 1 1581 . 2 2 27 27 ARG HD3 H 1 3.092 0.02 . 2 . . . . 327 R HD2 . 16266 1 1582 . 2 2 27 27 ARG HG2 H 1 1.737 0.02 . 2 . . . . 327 R HG1 . 16266 1 1583 . 2 2 27 27 ARG C C 13 177.988 0.3 . 1 . . . . 327 R C . 16266 1 1584 . 2 2 27 27 ARG CA C 13 58.033 0.3 . 1 . . . . 327 R CA . 16266 1 1585 . 2 2 27 27 ARG CB C 13 30.868 0.3 . 1 . . . . 327 R CB . 16266 1 1586 . 2 2 27 27 ARG CD C 13 43.376 0.3 . 1 . . . . 327 R CD . 16266 1 1587 . 2 2 27 27 ARG CG C 13 27.302 0.3 . 1 . . . . 327 R CG . 16266 1 1588 . 2 2 27 27 ARG N N 15 116.107 0.3 . 1 . . . . 327 R N . 16266 1 1589 . 2 2 28 28 VAL H H 1 8.434 0.02 . 1 . . . . 328 V HN . 16266 1 1590 . 2 2 28 28 VAL HA H 1 4.305 0.02 . 1 . . . . 328 V HA . 16266 1 1591 . 2 2 28 28 VAL HB H 1 2.236 0.02 . 1 . . . . 328 V HB . 16266 1 1592 . 2 2 28 28 VAL HG11 H 1 1.098 0.02 . 2 . . . . 328 V HG11 . 16266 1 1593 . 2 2 28 28 VAL HG12 H 1 1.098 0.02 . 2 . . . . 328 V HG11 . 16266 1 1594 . 2 2 28 28 VAL HG13 H 1 1.098 0.02 . 2 . . . . 328 V HG11 . 16266 1 1595 . 2 2 28 28 VAL HG21 H 1 1.125 0.02 . 2 . . . . 328 V HG21 . 16266 1 1596 . 2 2 28 28 VAL HG22 H 1 1.125 0.02 . 2 . . . . 328 V HG21 . 16266 1 1597 . 2 2 28 28 VAL HG23 H 1 1.125 0.02 . 2 . . . . 328 V HG21 . 16266 1 1598 . 2 2 28 28 VAL C C 13 177.043 0.3 . 1 . . . . 328 V C . 16266 1 1599 . 2 2 28 28 VAL CA C 13 62.634 0.3 . 1 . . . . 328 V CA . 16266 1 1600 . 2 2 28 28 VAL CB C 13 33.048 0.3 . 1 . . . . 328 V CB . 16266 1 1601 . 2 2 28 28 VAL CG1 C 13 21.490 0.3 . 2 . . . . 328 V CG1 . 16266 1 1602 . 2 2 28 28 VAL CG2 C 13 21.797 0.3 . 2 . . . . 328 V CG2 . 16266 1 1603 . 2 2 28 28 VAL N N 15 111.606 0.3 . 1 . . . . 328 V N . 16266 1 1604 . 2 2 29 29 PHE H H 1 8.167 0.02 . 1 . . . . 329 F HN . 16266 1 1605 . 2 2 29 29 PHE HA H 1 3.919 0.02 . 1 . . . . 329 F HA . 16266 1 1606 . 2 2 29 29 PHE HB2 H 1 3.376 0.02 . 2 . . . . 329 F HB1 . 16266 1 1607 . 2 2 29 29 PHE HB3 H 1 3.093 0.02 . 2 . . . . 329 F HB2 . 16266 1 1608 . 2 2 29 29 PHE HD1 H 1 7.170 0.02 . 3 . . . . 329 F HD1 . 16266 1 1609 . 2 2 29 29 PHE HE1 H 1 7.537 0.02 . 3 . . . . 329 F HE1 . 16266 1 1610 . 2 2 29 29 PHE CA C 13 64.000 0.3 . 1 . . . . 329 F CA . 16266 1 1611 . 2 2 29 29 PHE CB C 13 37.119 0.3 . 1 . . . . 329 F CB . 16266 1 1612 . 2 2 29 29 PHE N N 15 125.199 0.3 . 1 . . . . 329 F N . 16266 1 1613 . 2 2 30 30 PRO HA H 1 4.024 0.02 . 1 . . . . 330 P HA . 16266 1 1614 . 2 2 30 30 PRO HB2 H 1 2.123 0.02 . 2 . . . . 330 P HB1 . 16266 1 1615 . 2 2 30 30 PRO HD2 H 1 3.481 0.02 . 2 . . . . 330 P HD1 . 16266 1 1616 . 2 2 30 30 PRO HD3 H 1 3.347 0.02 . 2 . . . . 330 P HD2 . 16266 1 1617 . 2 2 30 30 PRO HG2 H 1 1.899 0.02 . 2 . . . . 330 P HG1 . 16266 1 1618 . 2 2 30 30 PRO HG3 H 1 2.002 0.02 . 2 . . . . 330 P HG2 . 16266 1 1619 . 2 2 30 30 PRO C C 13 176.059 0.3 . 1 . . . . 330 P C . 16266 1 1620 . 2 2 30 30 PRO CA C 13 64.930 0.3 . 1 . . . . 330 P CA . 16266 1 1621 . 2 2 30 30 PRO CB C 13 30.547 0.3 . 1 . . . . 330 P CB . 16266 1 1622 . 2 2 30 30 PRO CD C 13 50.128 0.3 . 1 . . . . 330 P CD . 16266 1 1623 . 2 2 30 30 PRO CG C 13 28.064 0.3 . 1 . . . . 330 P CG . 16266 1 1624 . 2 2 31 31 TYR H H 1 7.523 0.02 . 1 . . . . 331 Y HN . 16266 1 1625 . 2 2 31 31 TYR HA H 1 4.536 0.02 . 1 . . . . 331 Y HA . 16266 1 1626 . 2 2 31 31 TYR HB2 H 1 3.133 0.02 . 2 . . . . 331 Y HB1 . 16266 1 1627 . 2 2 31 31 TYR HB3 H 1 2.517 0.02 . 2 . . . . 331 Y HB2 . 16266 1 1628 . 2 2 31 31 TYR HD1 H 1 7.042 0.02 . 3 . . . . 331 Y HD1 . 16266 1 1629 . 2 2 31 31 TYR HE1 H 1 6.936 0.02 . 3 . . . . 331 Y HE1 . 16266 1 1630 . 2 2 31 31 TYR C C 13 176.015 0.3 . 1 . . . . 331 Y C . 16266 1 1631 . 2 2 31 31 TYR CA C 13 57.848 0.3 . 1 . . . . 331 Y CA . 16266 1 1632 . 2 2 31 31 TYR CB C 13 40.053 0.3 . 1 . . . . 331 Y CB . 16266 1 1633 . 2 2 31 31 TYR N N 15 114.022 0.3 . 1 . . . . 331 Y N . 16266 1 1634 . 2 2 32 32 SER H H 1 8.162 0.02 . 1 . . . . 332 S HN . 16266 1 1635 . 2 2 32 32 SER HA H 1 4.831 0.02 . 1 . . . . 332 S HA . 16266 1 1636 . 2 2 32 32 SER HB2 H 1 3.734 0.02 . 2 . . . . 332 S HB1 . 16266 1 1637 . 2 2 32 32 SER HB3 H 1 3.612 0.02 . 2 . . . . 332 S HB2 . 16266 1 1638 . 2 2 32 32 SER CA C 13 54.613 0.3 . 1 . . . . 332 S CA . 16266 1 1639 . 2 2 32 32 SER CB C 13 62.426 0.3 . 1 . . . . 332 S CB . 16266 1 1640 . 2 2 32 32 SER N N 15 109.532 0.3 . 1 . . . . 332 S N . 16266 1 1641 . 2 2 33 33 PRO HA H 1 4.237 0.02 . 1 . . . . 333 P HA . 16266 1 1642 . 2 2 33 33 PRO HB2 H 1 2.286 0.02 . 2 . . . . 333 P HB1 . 16266 1 1643 . 2 2 33 33 PRO HG2 H 1 1.972 0.02 . 2 . . . . 333 P HG1 . 16266 1 1644 . 2 2 33 33 PRO C C 13 179.111 0.3 . 1 . . . . 333 P C . 16266 1 1645 . 2 2 33 33 PRO CA C 13 65.233 0.3 . 1 . . . . 333 P CA . 16266 1 1646 . 2 2 33 33 PRO CB C 13 31.981 0.3 . 1 . . . . 333 P CB . 16266 1 1647 . 2 2 33 33 PRO CD C 13 49.920 0.3 . 1 . . . . 333 P CD . 16266 1 1648 . 2 2 33 33 PRO CG C 13 27.737 0.3 . 1 . . . . 333 P CG . 16266 1 1649 . 2 2 34 34 GLU H H 1 8.441 0.02 . 1 . . . . 334 E HN . 16266 1 1650 . 2 2 34 34 GLU HA H 1 4.130 0.02 . 1 . . . . 334 E HA . 16266 1 1651 . 2 2 34 34 GLU HB2 H 1 1.972 0.02 . 2 . . . . 334 E HB1 . 16266 1 1652 . 2 2 34 34 GLU HG2 H 1 2.202 0.02 . 2 . . . . 334 E HG1 . 16266 1 1653 . 2 2 34 34 GLU C C 13 179.193 0.3 . 1 . . . . 334 E C . 16266 1 1654 . 2 2 34 34 GLU CA C 13 59.473 0.3 . 1 . . . . 334 E CA . 16266 1 1655 . 2 2 34 34 GLU CB C 13 29.169 0.3 . 1 . . . . 334 E CB . 16266 1 1656 . 2 2 34 34 GLU CG C 13 36.182 0.3 . 1 . . . . 334 E CG . 16266 1 1657 . 2 2 34 34 GLU N N 15 117.475 0.3 . 1 . . . . 334 E N . 16266 1 1658 . 2 2 35 35 LEU H H 1 7.870 0.02 . 1 . . . . 335 L HN . 16266 1 1659 . 2 2 35 35 LEU HA H 1 3.998 0.02 . 1 . . . . 335 L HA . 16266 1 1660 . 2 2 35 35 LEU HB2 H 1 1.606 0.02 . 2 . . . . 335 L HB1 . 16266 1 1661 . 2 2 35 35 LEU HB3 H 1 1.511 0.02 . 2 . . . . 335 L HB2 . 16266 1 1662 . 2 2 35 35 LEU HD11 H 1 1.028 0.02 . 2 . . . . 335 L HD11 . 16266 1 1663 . 2 2 35 35 LEU HD12 H 1 1.028 0.02 . 2 . . . . 335 L HD11 . 16266 1 1664 . 2 2 35 35 LEU HD13 H 1 1.028 0.02 . 2 . . . . 335 L HD11 . 16266 1 1665 . 2 2 35 35 LEU HD21 H 1 0.910 0.02 . 2 . . . . 335 L HD21 . 16266 1 1666 . 2 2 35 35 LEU HD22 H 1 0.910 0.02 . 2 . . . . 335 L HD21 . 16266 1 1667 . 2 2 35 35 LEU HD23 H 1 0.910 0.02 . 2 . . . . 335 L HD21 . 16266 1 1668 . 2 2 35 35 LEU HG H 1 1.342 0.02 . 1 . . . . 335 L HG . 16266 1 1669 . 2 2 35 35 LEU C C 13 176.960 0.3 . 1 . . . . 335 L C . 16266 1 1670 . 2 2 35 35 LEU CA C 13 56.800 0.3 . 1 . . . . 335 L CA . 16266 1 1671 . 2 2 35 35 LEU CB C 13 41.174 0.3 . 1 . . . . 335 L CB . 16266 1 1672 . 2 2 35 35 LEU CD1 C 13 24.924 0.3 . 2 . . . . 335 L CD1 . 16266 1 1673 . 2 2 35 35 LEU CD2 C 13 23.031 0.3 . 2 . . . . 335 L CD2 . 16266 1 1674 . 2 2 35 35 LEU CG C 13 28.242 0.3 . 1 . . . . 335 L CG . 16266 1 1675 . 2 2 35 35 LEU N N 15 124.190 0.3 . 1 . . . . 335 L N . 16266 1 1676 . 2 2 36 36 ALA H H 1 7.587 0.02 . 1 . . . . 336 A HN . 16266 1 1677 . 2 2 36 36 ALA HA H 1 3.725 0.02 . 1 . . . . 336 A HA . 16266 1 1678 . 2 2 36 36 ALA HB1 H 1 1.709 0.02 . 1 . . . . 336 A HB1 . 16266 1 1679 . 2 2 36 36 ALA HB2 H 1 1.709 0.02 . 1 . . . . 336 A HB1 . 16266 1 1680 . 2 2 36 36 ALA HB3 H 1 1.709 0.02 . 1 . . . . 336 A HB1 . 16266 1 1681 . 2 2 36 36 ALA C C 13 178.419 0.3 . 1 . . . . 336 A C . 16266 1 1682 . 2 2 36 36 ALA CA C 13 55.553 0.3 . 1 . . . . 336 A CA . 16266 1 1683 . 2 2 36 36 ALA CB C 13 18.673 0.3 . 1 . . . . 336 A CB . 16266 1 1684 . 2 2 36 36 ALA N N 15 119.818 0.3 . 1 . . . . 336 A N . 16266 1 1685 . 2 2 37 37 LYS H H 1 7.844 0.02 . 1 . . . . 337 K HN . 16266 1 1686 . 2 2 37 37 LYS HA H 1 4.248 0.02 . 1 . . . . 337 K HA . 16266 1 1687 . 2 2 37 37 LYS HB2 H 1 2.193 0.02 . 2 . . . . 337 K HB1 . 16266 1 1688 . 2 2 37 37 LYS HB3 H 1 2.015 0.02 . 2 . . . . 337 K HB2 . 16266 1 1689 . 2 2 37 37 LYS HD2 H 1 1.783 0.02 . 2 . . . . 337 K HD1 . 16266 1 1690 . 2 2 37 37 LYS HE2 H 1 3.077 0.02 . 2 . . . . 337 K HE1 . 16266 1 1691 . 2 2 37 37 LYS HG2 H 1 1.410 0.02 . 2 . . . . 337 K HG1 . 16266 1 1692 . 2 2 37 37 LYS C C 13 177.734 0.3 . 1 . . . . 337 K C . 16266 1 1693 . 2 2 37 37 LYS CA C 13 59.324 0.3 . 1 . . . . 337 K CA . 16266 1 1694 . 2 2 37 37 LYS CB C 13 32.139 0.3 . 1 . . . . 337 K CB . 16266 1 1695 . 2 2 37 37 LYS CD C 13 29.247 0.3 . 1 . . . . 337 K CD . 16266 1 1696 . 2 2 37 37 LYS CE C 13 42.110 0.3 . 1 . . . . 337 K CE . 16266 1 1697 . 2 2 37 37 LYS CG C 13 24.810 0.3 . 1 . . . . 337 K CG . 16266 1 1698 . 2 2 37 37 LYS N N 15 116.970 0.3 . 1 . . . . 337 K N . 16266 1 1699 . 2 2 38 38 ARG H H 1 7.493 0.02 . 1 . . . . 338 R HN . 16266 1 1700 . 2 2 38 38 ARG HA H 1 4.240 0.02 . 1 . . . . 338 R HA . 16266 1 1701 . 2 2 38 38 ARG HB2 H 1 1.928 0.02 . 2 . . . . 338 R HB1 . 16266 1 1702 . 2 2 38 38 ARG HD2 H 1 3.606 0.02 . 2 . . . . 338 R HD1 . 16266 1 1703 . 2 2 38 38 ARG HD3 H 1 3.113 0.02 . 2 . . . . 338 R HD2 . 16266 1 1704 . 2 2 38 38 ARG HG2 H 1 1.661 0.02 . 2 . . . . 338 R HG1 . 16266 1 1705 . 2 2 38 38 ARG C C 13 177.816 0.3 . 1 . . . . 338 R C . 16266 1 1706 . 2 2 38 38 ARG CA C 13 58.306 0.3 . 1 . . . . 338 R CA . 16266 1 1707 . 2 2 38 38 ARG CB C 13 28.554 0.3 . 1 . . . . 338 R CB . 16266 1 1708 . 2 2 38 38 ARG CD C 13 42.731 0.3 . 1 . . . . 338 R CD . 16266 1 1709 . 2 2 38 38 ARG CG C 13 25.763 0.3 . 1 . . . . 338 R CG . 16266 1 1710 . 2 2 38 38 ARG N N 15 121.129 0.3 . 1 . . . . 338 R N . 16266 1 1711 . 2 2 39 39 TYR H H 1 7.770 0.02 . 1 . . . . 339 Y HN . 16266 1 1712 . 2 2 39 39 TYR HA H 1 4.610 0.02 . 1 . . . . 339 Y HA . 16266 1 1713 . 2 2 39 39 TYR HB2 H 1 3.208 0.02 . 2 . . . . 339 Y HB1 . 16266 1 1714 . 2 2 39 39 TYR HB3 H 1 2.990 0.02 . 2 . . . . 339 Y HB2 . 16266 1 1715 . 2 2 39 39 TYR HD1 H 1 6.786 0.02 . 3 . . . . 339 Y HD1 . 16266 1 1716 . 2 2 39 39 TYR HE1 H 1 6.570 0.02 . 3 . . . . 339 Y HE1 . 16266 1 1717 . 2 2 39 39 TYR C C 13 178.159 0.3 . 1 . . . . 339 Y C . 16266 1 1718 . 2 2 39 39 TYR CA C 13 58.048 0.3 . 1 . . . . 339 Y CA . 16266 1 1719 . 2 2 39 39 TYR CB C 13 35.242 0.3 . 1 . . . . 339 Y CB . 16266 1 1720 . 2 2 39 39 TYR N N 15 120.031 0.3 . 1 . . . . 339 Y N . 16266 1 1721 . 2 2 40 40 VAL H H 1 7.995 0.02 . 1 . . . . 340 V HN . 16266 1 1722 . 2 2 40 40 VAL HA H 1 4.194 0.02 . 1 . . . . 340 V HA . 16266 1 1723 . 2 2 40 40 VAL HB H 1 2.572 0.02 . 1 . . . . 340 V HB . 16266 1 1724 . 2 2 40 40 VAL HG11 H 1 1.024 0.02 . 2 . . . . 340 V HG11 . 16266 1 1725 . 2 2 40 40 VAL HG12 H 1 1.024 0.02 . 2 . . . . 340 V HG11 . 16266 1 1726 . 2 2 40 40 VAL HG13 H 1 1.024 0.02 . 2 . . . . 340 V HG11 . 16266 1 1727 . 2 2 40 40 VAL HG21 H 1 0.679 0.02 . 2 . . . . 340 V HG21 . 16266 1 1728 . 2 2 40 40 VAL HG22 H 1 0.679 0.02 . 2 . . . . 340 V HG21 . 16266 1 1729 . 2 2 40 40 VAL HG23 H 1 0.679 0.02 . 2 . . . . 340 V HG21 . 16266 1 1730 . 2 2 40 40 VAL C C 13 177.652 0.3 . 1 . . . . 340 V C . 16266 1 1731 . 2 2 40 40 VAL CA C 13 67.177 0.3 . 1 . . . . 340 V CA . 16266 1 1732 . 2 2 40 40 VAL CB C 13 31.315 0.3 . 1 . . . . 340 V CB . 16266 1 1733 . 2 2 40 40 VAL CG1 C 13 22.760 0.3 . 2 . . . . 340 V CG1 . 16266 1 1734 . 2 2 40 40 VAL CG2 C 13 21.796 0.3 . 2 . . . . 340 V CG2 . 16266 1 1735 . 2 2 40 40 VAL N N 15 121.017 0.3 . 1 . . . . 340 V N . 16266 1 1736 . 2 2 41 41 GLU H H 1 8.815 0.02 . 1 . . . . 341 E HN . 16266 1 1737 . 2 2 41 41 GLU HA H 1 3.693 0.02 . 1 . . . . 341 E HA . 16266 1 1738 . 2 2 41 41 GLU HB2 H 1 2.302 0.02 . 2 . . . . 341 E HB1 . 16266 1 1739 . 2 2 41 41 GLU HB3 H 1 2.096 0.02 . 2 . . . . 341 E HB2 . 16266 1 1740 . 2 2 41 41 GLU HG2 H 1 2.250 0.02 . 2 . . . . 341 E HG1 . 16266 1 1741 . 2 2 41 41 GLU HG3 H 1 2.202 0.02 . 2 . . . . 341 E HG2 . 16266 1 1742 . 2 2 41 41 GLU C C 13 180.227 0.3 . 1 . . . . 341 E C . 16266 1 1743 . 2 2 41 41 GLU CA C 13 60.080 0.3 . 1 . . . . 341 E CA . 16266 1 1744 . 2 2 41 41 GLU CB C 13 28.827 0.3 . 1 . . . . 341 E CB . 16266 1 1745 . 2 2 41 41 GLU CG C 13 36.463 0.3 . 1 . . . . 341 E CG . 16266 1 1746 . 2 2 41 41 GLU N N 15 118.282 0.3 . 1 . . . . 341 E N . 16266 1 1747 . 2 2 42 42 LEU H H 1 8.525 0.02 . 1 . . . . 342 L HN . 16266 1 1748 . 2 2 42 42 LEU HA H 1 4.101 0.02 . 1 . . . . 342 L HA . 16266 1 1749 . 2 2 42 42 LEU HB2 H 1 2.025 0.02 . 2 . . . . 342 L HB1 . 16266 1 1750 . 2 2 42 42 LEU HB3 H 1 1.652 0.02 . 2 . . . . 342 L HB2 . 16266 1 1751 . 2 2 42 42 LEU HD11 H 1 1.102 0.02 . 2 . . . . 342 L HD11 . 16266 1 1752 . 2 2 42 42 LEU HD12 H 1 1.102 0.02 . 2 . . . . 342 L HD11 . 16266 1 1753 . 2 2 42 42 LEU HD13 H 1 1.102 0.02 . 2 . . . . 342 L HD11 . 16266 1 1754 . 2 2 42 42 LEU HD21 H 1 1.008 0.02 . 2 . . . . 342 L HD21 . 16266 1 1755 . 2 2 42 42 LEU HD22 H 1 1.008 0.02 . 2 . . . . 342 L HD21 . 16266 1 1756 . 2 2 42 42 LEU HD23 H 1 1.008 0.02 . 2 . . . . 342 L HD21 . 16266 1 1757 . 2 2 42 42 LEU HG H 1 1.930 0.02 . 1 . . . . 342 L HG . 16266 1 1758 . 2 2 42 42 LEU C C 13 178.165 0.3 . 1 . . . . 342 L C . 16266 1 1759 . 2 2 42 42 LEU CA C 13 58.050 0.3 . 1 . . . . 342 L CA . 16266 1 1760 . 2 2 42 42 LEU CB C 13 42.117 0.3 . 1 . . . . 342 L CB . 16266 1 1761 . 2 2 42 42 LEU CD1 C 13 25.243 0.3 . 2 . . . . 342 L CD1 . 16266 1 1762 . 2 2 42 42 LEU CD2 C 13 23.676 0.3 . 2 . . . . 342 L CD2 . 16266 1 1763 . 2 2 42 42 LEU CG C 13 26.487 0.3 . 1 . . . . 342 L CG . 16266 1 1764 . 2 2 42 42 LEU N N 15 119.829 0.3 . 1 . . . . 342 L N . 16266 1 1765 . 2 2 43 43 ALA H H 1 8.300 0.02 . 1 . . . . 343 A HN . 16266 1 1766 . 2 2 43 43 ALA HA H 1 3.697 0.02 . 1 . . . . 343 A HA . 16266 1 1767 . 2 2 43 43 ALA HB1 H 1 1.276 0.02 . 1 . . . . 343 A HB1 . 16266 1 1768 . 2 2 43 43 ALA HB2 H 1 1.276 0.02 . 1 . . . . 343 A HB1 . 16266 1 1769 . 2 2 43 43 ALA HB3 H 1 1.276 0.02 . 1 . . . . 343 A HB1 . 16266 1 1770 . 2 2 43 43 ALA C C 13 179.967 0.3 . 1 . . . . 343 A C . 16266 1 1771 . 2 2 43 43 ALA CA C 13 55.551 0.3 . 1 . . . . 343 A CA . 16266 1 1772 . 2 2 43 43 ALA CB C 13 18.205 0.3 . 1 . . . . 343 A CB . 16266 1 1773 . 2 2 43 43 ALA N N 15 124.840 0.3 . 1 . . . . 343 A N . 16266 1 1774 . 2 2 44 44 LEU H H 1 8.298 0.02 . 1 . . . . 344 L HN . 16266 1 1775 . 2 2 44 44 LEU HA H 1 4.078 0.02 . 1 . . . . 344 L HA . 16266 1 1776 . 2 2 44 44 LEU HB2 H 1 1.843 0.02 . 2 . . . . 344 L HB1 . 16266 1 1777 . 2 2 44 44 LEU HB3 H 1 1.809 0.02 . 2 . . . . 344 L HB2 . 16266 1 1778 . 2 2 44 44 LEU HD11 H 1 0.310 0.02 . 2 . . . . 344 L HD11 . 16266 1 1779 . 2 2 44 44 LEU HD12 H 1 0.310 0.02 . 2 . . . . 344 L HD11 . 16266 1 1780 . 2 2 44 44 LEU HD13 H 1 0.310 0.02 . 2 . . . . 344 L HD11 . 16266 1 1781 . 2 2 44 44 LEU HD21 H 1 0.509 0.02 . 2 . . . . 344 L HD21 . 16266 1 1782 . 2 2 44 44 LEU HD22 H 1 0.509 0.02 . 2 . . . . 344 L HD21 . 16266 1 1783 . 2 2 44 44 LEU HD23 H 1 0.509 0.02 . 2 . . . . 344 L HD21 . 16266 1 1784 . 2 2 44 44 LEU HG H 1 1.282 0.02 . 1 . . . . 344 L HG . 16266 1 1785 . 2 2 44 44 LEU C C 13 180.823 0.3 . 1 . . . . 344 L C . 16266 1 1786 . 2 2 44 44 LEU CA C 13 57.400 0.3 . 1 . . . . 344 L CA . 16266 1 1787 . 2 2 44 44 LEU CB C 13 40.496 0.3 . 1 . . . . 344 L CB . 16266 1 1788 . 2 2 44 44 LEU CD1 C 13 24.615 0.3 . 2 . . . . 344 L CD1 . 16266 1 1789 . 2 2 44 44 LEU CD2 C 13 21.128 0.3 . 2 . . . . 344 L CD2 . 16266 1 1790 . 2 2 44 44 LEU CG C 13 26.239 0.3 . 1 . . . . 344 L CG . 16266 1 1791 . 2 2 44 44 LEU N N 15 117.620 0.3 . 1 . . . . 344 L N . 16266 1 1792 . 2 2 45 45 LEU H H 1 8.090 0.02 . 1 . . . . 345 L HN . 16266 1 1793 . 2 2 45 45 LEU HA H 1 4.155 0.02 . 1 . . . . 345 L HA . 16266 1 1794 . 2 2 45 45 LEU HB2 H 1 2.243 0.02 . 2 . . . . 345 L HB1 . 16266 1 1795 . 2 2 45 45 LEU HB3 H 1 1.236 0.02 . 2 . . . . 345 L HB2 . 16266 1 1796 . 2 2 45 45 LEU HD11 H 1 0.907 0.02 . 2 . . . . 345 L HD11 . 16266 1 1797 . 2 2 45 45 LEU HD12 H 1 0.907 0.02 . 2 . . . . 345 L HD11 . 16266 1 1798 . 2 2 45 45 LEU HD13 H 1 0.907 0.02 . 2 . . . . 345 L HD11 . 16266 1 1799 . 2 2 45 45 LEU HD21 H 1 0.910 0.02 . 2 . . . . 345 L HD21 . 16266 1 1800 . 2 2 45 45 LEU HD22 H 1 0.910 0.02 . 2 . . . . 345 L HD21 . 16266 1 1801 . 2 2 45 45 LEU HD23 H 1 0.910 0.02 . 2 . . . . 345 L HD21 . 16266 1 1802 . 2 2 45 45 LEU HG H 1 1.877 0.02 . 1 . . . . 345 L HG . 16266 1 1803 . 2 2 45 45 LEU C C 13 180.049 0.3 . 1 . . . . 345 L C . 16266 1 1804 . 2 2 45 45 LEU CA C 13 58.042 0.3 . 1 . . . . 345 L CA . 16266 1 1805 . 2 2 45 45 LEU CB C 13 42.118 0.3 . 1 . . . . 345 L CB . 16266 1 1806 . 2 2 45 45 LEU CD1 C 13 25.236 0.3 . 2 . . . . 345 L CD1 . 16266 1 1807 . 2 2 45 45 LEU CD2 C 13 22.737 0.3 . 2 . . . . 345 L CD2 . 16266 1 1808 . 2 2 45 45 LEU N N 15 122.889 0.3 . 1 . . . . 345 L N . 16266 1 1809 . 2 2 46 46 VAL H H 1 8.657 0.02 . 1 . . . . 346 V HN . 16266 1 1810 . 2 2 46 46 VAL HA H 1 3.391 0.02 . 1 . . . . 346 V HA . 16266 1 1811 . 2 2 46 46 VAL HB H 1 2.259 0.02 . 1 . . . . 346 V HB . 16266 1 1812 . 2 2 46 46 VAL HG11 H 1 0.939 0.02 . 2 . . . . 346 V HG11 . 16266 1 1813 . 2 2 46 46 VAL HG12 H 1 0.939 0.02 . 2 . . . . 346 V HG11 . 16266 1 1814 . 2 2 46 46 VAL HG13 H 1 0.939 0.02 . 2 . . . . 346 V HG11 . 16266 1 1815 . 2 2 46 46 VAL C C 13 177.734 0.3 . 1 . . . . 346 V C . 16266 1 1816 . 2 2 46 46 VAL CA C 13 67.736 0.3 . 1 . . . . 346 V CA . 16266 1 1817 . 2 2 46 46 VAL CB C 13 30.944 0.3 . 1 . . . . 346 V CB . 16266 1 1818 . 2 2 46 46 VAL CG1 C 13 22.424 0.3 . 2 . . . . 346 V CG1 . 16266 1 1819 . 2 2 46 46 VAL N N 15 122.004 0.3 . 1 . . . . 346 V N . 16266 1 1820 . 2 2 47 47 GLN H H 1 8.580 0.02 . 1 . . . . 347 Q HN . 16266 1 1821 . 2 2 47 47 GLN HA H 1 3.731 0.02 . 1 . . . . 347 Q HA . 16266 1 1822 . 2 2 47 47 GLN HB2 H 1 2.723 0.02 . 2 . . . . 347 Q HB1 . 16266 1 1823 . 2 2 47 47 GLN HB3 H 1 2.014 0.02 . 2 . . . . 347 Q HB2 . 16266 1 1824 . 2 2 47 47 GLN HG2 H 1 2.528 0.02 . 2 . . . . 347 Q HG1 . 16266 1 1825 . 2 2 47 47 GLN HG3 H 1 2.220 0.02 . 2 . . . . 347 Q HG2 . 16266 1 1826 . 2 2 47 47 GLN C C 13 178.413 0.3 . 1 . . . . 347 Q C . 16266 1 1827 . 2 2 47 47 GLN CA C 13 60.239 0.3 . 1 . . . . 347 Q CA . 16266 1 1828 . 2 2 47 47 GLN CB C 13 26.802 0.3 . 1 . . . . 347 Q CB . 16266 1 1829 . 2 2 47 47 GLN CG C 13 32.736 0.3 . 1 . . . . 347 Q CG . 16266 1 1830 . 2 2 47 47 GLN N N 15 120.255 0.3 . 1 . . . . 347 Q N . 16266 1 1831 . 2 2 48 48 GLN H H 1 7.985 0.02 . 1 . . . . 348 Q HN . 16266 1 1832 . 2 2 48 48 GLN HA H 1 4.076 0.02 . 1 . . . . 348 Q HA . 16266 1 1833 . 2 2 48 48 GLN HB2 H 1 2.283 0.02 . 2 . . . . 348 Q HB1 . 16266 1 1834 . 2 2 48 48 GLN HG2 H 1 2.691 0.02 . 2 . . . . 348 Q HG1 . 16266 1 1835 . 2 2 48 48 GLN HG3 H 1 2.481 0.02 . 2 . . . . 348 Q HG2 . 16266 1 1836 . 2 2 48 48 GLN C C 13 178.597 0.3 . 1 . . . . 348 Q C . 16266 1 1837 . 2 2 48 48 GLN CA C 13 58.379 0.3 . 1 . . . . 348 Q CA . 16266 1 1838 . 2 2 48 48 GLN CB C 13 28.993 0.3 . 1 . . . . 348 Q CB . 16266 1 1839 . 2 2 48 48 GLN CG C 13 34.302 0.3 . 1 . . . . 348 Q CG . 16266 1 1840 . 2 2 48 48 GLN N N 15 117.620 0.3 . 1 . . . . 348 Q N . 16266 1 1841 . 2 2 49 49 LYS H H 1 8.064 0.02 . 1 . . . . 349 K HN . 16266 1 1842 . 2 2 49 49 LYS HA H 1 4.218 0.02 . 1 . . . . 349 K HA . 16266 1 1843 . 2 2 49 49 LYS HB2 H 1 2.011 0.02 . 2 . . . . 349 K HB1 . 16266 1 1844 . 2 2 49 49 LYS HB3 H 1 1.902 0.02 . 2 . . . . 349 K HB2 . 16266 1 1845 . 2 2 49 49 LYS HD2 H 1 1.728 0.02 . 2 . . . . 349 K HD1 . 16266 1 1846 . 2 2 49 49 LYS HE2 H 1 2.901 0.02 . 2 . . . . 349 K HE1 . 16266 1 1847 . 2 2 49 49 LYS HE3 H 1 3.032 0.02 . 2 . . . . 349 K HE2 . 16266 1 1848 . 2 2 49 49 LYS HG2 H 1 1.428 0.02 . 2 . . . . 349 K HG1 . 16266 1 1849 . 2 2 49 49 LYS C C 13 178.159 0.3 . 1 . . . . 349 K C . 16266 1 1850 . 2 2 49 49 LYS CA C 13 57.412 0.3 . 1 . . . . 349 K CA . 16266 1 1851 . 2 2 49 49 LYS CB C 13 31.818 0.3 . 1 . . . . 349 K CB . 16266 1 1852 . 2 2 49 49 LYS CD C 13 27.731 0.3 . 1 . . . . 349 K CD . 16266 1 1853 . 2 2 49 49 LYS CE C 13 42.775 0.3 . 1 . . . . 349 K CE . 16266 1 1854 . 2 2 49 49 LYS CG C 13 24.266 0.3 . 1 . . . . 349 K CG . 16266 1 1855 . 2 2 49 49 LYS N N 15 117.531 0.3 . 1 . . . . 349 K N . 16266 1 1856 . 2 2 50 50 ALA H H 1 8.330 0.02 . 1 . . . . 350 A HN . 16266 1 1857 . 2 2 50 50 ALA HA H 1 4.344 0.02 . 1 . . . . 350 A HA . 16266 1 1858 . 2 2 50 50 ALA HB1 H 1 1.328 0.02 . 1 . . . . 350 A HB1 . 16266 1 1859 . 2 2 50 50 ALA HB2 H 1 1.328 0.02 . 1 . . . . 350 A HB1 . 16266 1 1860 . 2 2 50 50 ALA HB3 H 1 1.328 0.02 . 1 . . . . 350 A HB1 . 16266 1 1861 . 2 2 50 50 ALA C C 13 176.186 0.3 . 1 . . . . 350 A C . 16266 1 1862 . 2 2 50 50 ALA CA C 13 52.117 0.3 . 1 . . . . 350 A CA . 16266 1 1863 . 2 2 50 50 ALA CB C 13 21.170 0.3 . 1 . . . . 350 A CB . 16266 1 1864 . 2 2 50 50 ALA N N 15 118.943 0.3 . 1 . . . . 350 A N . 16266 1 1865 . 2 2 51 51 LYS H H 1 8.096 0.02 . 1 . . . . 351 K HN . 16266 1 1866 . 2 2 51 51 LYS HA H 1 4.025 0.02 . 1 . . . . 351 K HA . 16266 1 1867 . 2 2 51 51 LYS HB2 H 1 2.080 0.02 . 2 . . . . 351 K HB1 . 16266 1 1868 . 2 2 51 51 LYS HB3 H 1 1.924 0.02 . 2 . . . . 351 K HB2 . 16266 1 1869 . 2 2 51 51 LYS HD2 H 1 1.724 0.02 . 2 . . . . 351 K HD1 . 16266 1 1870 . 2 2 51 51 LYS HE2 H 1 3.080 0.02 . 2 . . . . 351 K HE1 . 16266 1 1871 . 2 2 51 51 LYS HG2 H 1 1.416 0.02 . 2 . . . . 351 K HG1 . 16266 1 1872 . 2 2 51 51 LYS C C 13 175.844 0.3 . 1 . . . . 351 K C . 16266 1 1873 . 2 2 51 51 LYS CA C 13 57.041 0.3 . 1 . . . . 351 K CA . 16266 1 1874 . 2 2 51 51 LYS CB C 13 28.690 0.3 . 1 . . . . 351 K CB . 16266 1 1875 . 2 2 51 51 LYS CD C 13 27.120 0.3 . 1 . . . . 351 K CD . 16266 1 1876 . 2 2 51 51 LYS CE C 13 42.116 0.3 . 1 . . . . 351 K CE . 16266 1 1877 . 2 2 51 51 LYS CG C 13 24.810 0.3 . 1 . . . . 351 K CG . 16266 1 1878 . 2 2 51 51 LYS N N 15 115.558 0.3 . 1 . . . . 351 K N . 16266 1 1879 . 2 2 52 52 VAL H H 1 6.878 0.02 . 1 . . . . 352 V HN . 16266 1 1880 . 2 2 52 52 VAL HA H 1 4.853 0.02 . 1 . . . . 352 V HA . 16266 1 1881 . 2 2 52 52 VAL HB H 1 2.341 0.02 . 1 . . . . 352 V HB . 16266 1 1882 . 2 2 52 52 VAL HG11 H 1 1.035 0.02 . 2 . . . . 352 V HG11 . 16266 1 1883 . 2 2 52 52 VAL HG12 H 1 1.035 0.02 . 2 . . . . 352 V HG11 . 16266 1 1884 . 2 2 52 52 VAL HG13 H 1 1.035 0.02 . 2 . . . . 352 V HG11 . 16266 1 1885 . 2 2 52 52 VAL HG21 H 1 0.763 0.02 . 2 . . . . 352 V HG21 . 16266 1 1886 . 2 2 52 52 VAL HG22 H 1 0.763 0.02 . 2 . . . . 352 V HG21 . 16266 1 1887 . 2 2 52 52 VAL HG23 H 1 0.763 0.02 . 2 . . . . 352 V HG21 . 16266 1 1888 . 2 2 52 52 VAL C C 13 174.982 0.3 . 1 . . . . 352 V C . 16266 1 1889 . 2 2 52 52 VAL CA C 13 58.364 0.3 . 1 . . . . 352 V CA . 16266 1 1890 . 2 2 52 52 VAL CB C 13 34.387 0.3 . 1 . . . . 352 V CB . 16266 1 1891 . 2 2 52 52 VAL CG1 C 13 22.108 0.3 . 2 . . . . 352 V CG1 . 16266 1 1892 . 2 2 52 52 VAL CG2 C 13 19.214 0.3 . 2 . . . . 352 V CG2 . 16266 1 1893 . 2 2 52 52 VAL N N 15 109.747 0.3 . 1 . . . . 352 V N . 16266 1 1894 . 2 2 53 53 LYS H H 1 8.139 0.02 . 1 . . . . 353 K HN . 16266 1 1895 . 2 2 53 53 LYS HA H 1 4.485 0.02 . 1 . . . . 353 K HA . 16266 1 1896 . 2 2 53 53 LYS HB2 H 1 1.856 0.02 . 2 . . . . 353 K HB1 . 16266 1 1897 . 2 2 53 53 LYS HD2 H 1 1.708 0.02 . 2 . . . . 353 K HD1 . 16266 1 1898 . 2 2 53 53 LYS HE2 H 1 3.080 0.02 . 2 . . . . 353 K HE1 . 16266 1 1899 . 2 2 53 53 LYS HG2 H 1 1.611 0.02 . 2 . . . . 353 K HG1 . 16266 1 1900 . 2 2 53 53 LYS C C 13 176.781 0.3 . 1 . . . . 353 K C . 16266 1 1901 . 2 2 53 53 LYS CA C 13 55.324 0.3 . 1 . . . . 353 K CA . 16266 1 1902 . 2 2 53 53 LYS CB C 13 33.527 0.3 . 1 . . . . 353 K CB . 16266 1 1903 . 2 2 53 53 LYS CD C 13 29.165 0.3 . 1 . . . . 353 K CD . 16266 1 1904 . 2 2 53 53 LYS CE C 13 42.230 0.3 . 1 . . . . 353 K CE . 16266 1 1905 . 2 2 53 53 LYS CG C 13 25.287 0.3 . 1 . . . . 353 K CG . 16266 1 1906 . 2 2 53 53 LYS N N 15 120.827 0.3 . 1 . . . . 353 K N . 16266 1 1907 . 2 2 54 54 ILE H H 1 8.315 0.02 . 1 . . . . 354 I HN . 16266 1 1908 . 2 2 54 54 ILE CA C 13 58.511 0.3 . 1 . . . . 354 I CA . 16266 1 1909 . 2 2 54 54 ILE CB C 13 38.244 0.3 . 1 . . . . 354 I CB . 16266 1 1910 . 2 2 54 54 ILE N N 15 123.091 0.3 . 1 . . . . 354 I N . 16266 1 1911 . 2 2 57 57 LYS HA H 1 3.795 0.02 . 1 . . . . 357 K HA . 16266 1 1912 . 2 2 57 57 LYS HB2 H 1 1.457 0.02 . 2 . . . . 357 K HB1 . 16266 1 1913 . 2 2 57 57 LYS HB3 H 1 0.932 0.02 . 2 . . . . 357 K HB2 . 16266 1 1914 . 2 2 57 57 LYS HD2 H 1 1.163 0.02 . 2 . . . . 357 K HD1 . 16266 1 1915 . 2 2 57 57 LYS HE2 H 1 2.522 0.02 . 2 . . . . 357 K HE1 . 16266 1 1916 . 2 2 57 57 LYS HE3 H 1 2.269 0.02 . 2 . . . . 357 K HE2 . 16266 1 1917 . 2 2 57 57 LYS HG2 H 1 0.233 0.02 . 2 . . . . 357 K HG1 . 16266 1 1918 . 2 2 57 57 LYS HG3 H 1 0.114 0.02 . 2 . . . . 357 K HG2 . 16266 1 1919 . 2 2 57 57 LYS C C 13 176.443 0.3 . 1 . . . . 357 K C . 16266 1 1920 . 2 2 57 57 LYS CA C 13 58.663 0.3 . 1 . . . . 357 K CA . 16266 1 1921 . 2 2 57 57 LYS CB C 13 31.800 0.3 . 1 . . . . 357 K CB . 16266 1 1922 . 2 2 57 57 LYS CD C 13 28.992 0.3 . 1 . . . . 357 K CD . 16266 1 1923 . 2 2 57 57 LYS CE C 13 41.487 0.3 . 1 . . . . 357 K CE . 16266 1 1924 . 2 2 57 57 LYS CG C 13 23.365 0.3 . 1 . . . . 357 K CG . 16266 1 1925 . 2 2 58 58 TRP H H 1 7.206 0.02 . 1 . . . . 358 W HN . 16266 1 1926 . 2 2 58 58 TRP HA H 1 4.946 0.02 . 1 . . . . 358 W HA . 16266 1 1927 . 2 2 58 58 TRP HB2 H 1 2.056 0.02 . 2 . . . . 358 W HB1 . 16266 1 1928 . 2 2 58 58 TRP HD1 H 1 7.408 0.02 . 1 . . . . 358 W HD1 . 16266 1 1929 . 2 2 58 58 TRP HE1 H 1 11.006 0.02 . 1 . . . . 358 W HE1 . 16266 1 1930 . 2 2 58 58 TRP C C 13 176.962 0.3 . 1 . . . . 358 W C . 16266 1 1931 . 2 2 58 58 TRP CA C 13 55.097 0.3 . 1 . . . . 358 W CA . 16266 1 1932 . 2 2 58 58 TRP CB C 13 30.875 0.3 . 1 . . . . 358 W CB . 16266 1 1933 . 2 2 58 58 TRP N N 15 116.858 0.3 . 1 . . . . 358 W N . 16266 1 1934 . 2 2 58 58 TRP NE1 N 15 130.312 0.3 . 1 . . . . 358 W NE1 . 16266 1 1935 . 2 2 59 59 LYS H H 1 7.324 0.02 . 1 . . . . 359 K HN . 16266 1 1936 . 2 2 59 59 LYS HA H 1 3.964 0.02 . 1 . . . . 359 K HA . 16266 1 1937 . 2 2 59 59 LYS HB2 H 1 1.949 0.02 . 2 . . . . 359 K HB1 . 16266 1 1938 . 2 2 59 59 LYS HD2 H 1 1.873 0.02 . 2 . . . . 359 K HD1 . 16266 1 1939 . 2 2 59 59 LYS HE2 H 1 3.129 0.02 . 2 . . . . 359 K HE1 . 16266 1 1940 . 2 2 59 59 LYS HG2 H 1 1.608 0.02 . 2 . . . . 359 K HG1 . 16266 1 1941 . 2 2 59 59 LYS C C 13 176.781 0.3 . 1 . . . . 359 K C . 16266 1 1942 . 2 2 59 59 LYS CA C 13 60.522 0.3 . 1 . . . . 359 K CA . 16266 1 1943 . 2 2 59 59 LYS CB C 13 32.428 0.3 . 1 . . . . 359 K CB . 16266 1 1944 . 2 2 59 59 LYS CD C 13 29.611 0.3 . 1 . . . . 359 K CD . 16266 1 1945 . 2 2 59 59 LYS CG C 13 25.533 0.3 . 1 . . . . 359 K CG . 16266 1 1946 . 2 2 59 59 LYS N N 15 118.820 0.3 . 1 . . . . 359 K N . 16266 1 1947 . 2 2 60 60 ARG H H 1 8.328 0.02 . 1 . . . . 360 R HN . 16266 1 1948 . 2 2 60 60 ARG HA H 1 4.557 0.02 . 1 . . . . 360 R HA . 16266 1 1949 . 2 2 60 60 ARG HB2 H 1 1.654 0.02 . 2 . . . . 360 R HB1 . 16266 1 1950 . 2 2 60 60 ARG HB3 H 1 1.450 0.02 . 2 . . . . 360 R HB2 . 16266 1 1951 . 2 2 60 60 ARG HD2 H 1 3.174 0.02 . 2 . . . . 360 R HD1 . 16266 1 1952 . 2 2 60 60 ARG HG2 H 1 1.467 0.02 . 2 . . . . 360 R HG1 . 16266 1 1953 . 2 2 60 60 ARG HG3 H 1 1.554 0.02 . 2 . . . . 360 R HG2 . 16266 1 1954 . 2 2 60 60 ARG C C 13 177.215 0.3 . 1 . . . . 360 R C . 16266 1 1955 . 2 2 60 60 ARG CA C 13 55.237 0.3 . 1 . . . . 360 R CA . 16266 1 1956 . 2 2 60 60 ARG CB C 13 29.751 0.3 . 1 . . . . 360 R CB . 16266 1 1957 . 2 2 60 60 ARG CD C 13 43.728 0.3 . 1 . . . . 360 R CD . 16266 1 1958 . 2 2 60 60 ARG CG C 13 27.056 0.3 . 1 . . . . 360 R CG . 16266 1 1959 . 2 2 60 60 ARG N N 15 113.906 0.3 . 1 . . . . 360 R N . 16266 1 1960 . 2 2 61 61 ARG H H 1 7.619 0.02 . 1 . . . . 361 R HN . 16266 1 1961 . 2 2 61 61 ARG HA H 1 4.299 0.02 . 1 . . . . 361 R HA . 16266 1 1962 . 2 2 61 61 ARG HB2 H 1 2.598 0.02 . 2 . . . . 361 R HB1 . 16266 1 1963 . 2 2 61 61 ARG HB3 H 1 2.100 0.02 . 2 . . . . 361 R HB2 . 16266 1 1964 . 2 2 61 61 ARG HD2 H 1 3.448 0.02 . 2 . . . . 361 R HD1 . 16266 1 1965 . 2 2 61 61 ARG HD3 H 1 3.000 0.02 . 2 . . . . 361 R HD2 . 16266 1 1966 . 2 2 61 61 ARG HG2 H 1 2.182 0.02 . 2 . . . . 361 R HG1 . 16266 1 1967 . 2 2 61 61 ARG HG3 H 1 1.466 0.02 . 2 . . . . 361 R HG2 . 16266 1 1968 . 2 2 61 61 ARG C C 13 172.579 0.3 . 1 . . . . 361 R C . 16266 1 1969 . 2 2 61 61 ARG CA C 13 53.677 0.3 . 1 . . . . 361 R CA . 16266 1 1970 . 2 2 61 61 ARG CB C 13 27.737 0.3 . 1 . . . . 361 R CB . 16266 1 1971 . 2 2 61 61 ARG CD C 13 40.552 0.3 . 1 . . . . 361 R CD . 16266 1 1972 . 2 2 61 61 ARG CG C 13 25.554 0.3 . 1 . . . . 361 R CG . 16266 1 1973 . 2 2 61 61 ARG N N 15 116.432 0.3 . 1 . . . . 361 R N . 16266 1 1974 . 2 2 62 62 TYR H H 1 6.961 0.02 . 1 . . . . 362 Y HN . 16266 1 1975 . 2 2 62 62 TYR HA H 1 5.855 0.02 . 1 . . . . 362 Y HA . 16266 1 1976 . 2 2 62 62 TYR HB2 H 1 3.160 0.02 . 2 . . . . 362 Y HB1 . 16266 1 1977 . 2 2 62 62 TYR HB3 H 1 2.981 0.02 . 2 . . . . 362 Y HB2 . 16266 1 1978 . 2 2 62 62 TYR HD1 H 1 7.044 0.02 . 3 . . . . 362 Y HD1 . 16266 1 1979 . 2 2 62 62 TYR HE1 H 1 6.828 0.02 . 3 . . . . 362 Y HE1 . 16266 1 1980 . 2 2 62 62 TYR C C 13 173.351 0.3 . 1 . . . . 362 Y C . 16266 1 1981 . 2 2 62 62 TYR CA C 13 54.613 0.3 . 1 . . . . 362 Y CA . 16266 1 1982 . 2 2 62 62 TYR CB C 13 42.431 0.3 . 1 . . . . 362 Y CB . 16266 1 1983 . 2 2 62 62 TYR N N 15 112.799 0.3 . 1 . . . . 362 Y N . 16266 1 1984 . 2 2 63 63 CYS H H 1 9.163 0.02 . 1 . . . . 363 C HN . 16266 1 1985 . 2 2 63 63 CYS HA H 1 4.247 0.02 . 1 . . . . 363 C HA . 16266 1 1986 . 2 2 63 63 CYS HB2 H 1 3.459 0.02 . 2 . . . . 363 C HB1 . 16266 1 1987 . 2 2 63 63 CYS HB3 H 1 3.014 0.02 . 2 . . . . 363 C HB2 . 16266 1 1988 . 2 2 63 63 CYS C C 13 178.161 0.3 . 1 . . . . 363 C C . 16266 1 1989 . 2 2 63 63 CYS CA C 13 60.114 0.3 . 1 . . . . 363 C CA . 16266 1 1990 . 2 2 63 63 CYS CB C 13 31.885 0.3 . 1 . . . . 363 C CB . 16266 1 1991 . 2 2 63 63 CYS N N 15 124.627 0.3 . 1 . . . . 363 C N . 16266 1 1992 . 2 2 64 64 LYS H H 1 7.794 0.02 . 1 . . . . 364 K HN . 16266 1 1993 . 2 2 64 64 LYS HA H 1 4.249 0.02 . 1 . . . . 364 K HA . 16266 1 1994 . 2 2 64 64 LYS HB2 H 1 2.241 0.02 . 2 . . . . 364 K HB1 . 16266 1 1995 . 2 2 64 64 LYS HB3 H 1 1.805 0.02 . 2 . . . . 364 K HB2 . 16266 1 1996 . 2 2 64 64 LYS HD2 H 1 1.888 0.02 . 2 . . . . 364 K HD1 . 16266 1 1997 . 2 2 64 64 LYS HE2 H 1 3.162 0.02 . 2 . . . . 364 K HE1 . 16266 1 1998 . 2 2 64 64 LYS HG2 H 1 1.628 0.02 . 2 . . . . 364 K HG1 . 16266 1 1999 . 2 2 64 64 LYS C C 13 175.499 0.3 . 1 . . . . 364 K C . 16266 1 2000 . 2 2 64 64 LYS CA C 13 58.957 0.3 . 1 . . . . 364 K CA . 16266 1 2001 . 2 2 64 64 LYS CB C 13 32.963 0.3 . 1 . . . . 364 K CB . 16266 1 2002 . 2 2 64 64 LYS CD C 13 28.961 0.3 . 1 . . . . 364 K CD . 16266 1 2003 . 2 2 64 64 LYS CE C 13 42.775 0.3 . 1 . . . . 364 K CE . 16266 1 2004 . 2 2 64 64 LYS CG C 13 26.180 0.3 . 1 . . . . 364 K CG . 16266 1 2005 . 2 2 64 64 LYS N N 15 129.876 0.3 . 1 . . . . 364 K N . 16266 1 2006 . 2 2 65 65 LYS H H 1 9.285 0.02 . 1 . . . . 365 K HN . 16266 1 2007 . 2 2 65 65 LYS HA H 1 4.254 0.02 . 1 . . . . 365 K HA . 16266 1 2008 . 2 2 65 65 LYS HB2 H 1 1.853 0.02 . 2 . . . . 365 K HB1 . 16266 1 2009 . 2 2 65 65 LYS HD2 H 1 1.681 0.02 . 2 . . . . 365 K HD1 . 16266 1 2010 . 2 2 65 65 LYS HD3 H 1 1.510 0.02 . 2 . . . . 365 K HD2 . 16266 1 2011 . 2 2 65 65 LYS HE2 H 1 2.907 0.02 . 2 . . . . 365 K HE1 . 16266 1 2012 . 2 2 65 65 LYS HG2 H 1 1.030 0.02 . 2 . . . . 365 K HG1 . 16266 1 2013 . 2 2 65 65 LYS HG3 H 1 0.620 0.02 . 2 . . . . 365 K HG2 . 16266 1 2014 . 2 2 65 65 LYS C C 13 176.444 0.3 . 1 . . . . 365 K C . 16266 1 2015 . 2 2 65 65 LYS CA C 13 58.052 0.3 . 1 . . . . 365 K CA . 16266 1 2016 . 2 2 65 65 LYS CB C 13 33.367 0.3 . 1 . . . . 365 K CB . 16266 1 2017 . 2 2 65 65 LYS CD C 13 28.689 0.3 . 1 . . . . 365 K CD . 16266 1 2018 . 2 2 65 65 LYS CE C 13 42.775 0.3 . 1 . . . . 365 K CE . 16266 1 2019 . 2 2 65 65 LYS CG C 13 24.810 0.3 . 1 . . . . 365 K CG . 16266 1 2020 . 2 2 65 65 LYS N N 15 123.091 0.3 . 1 . . . . 365 K N . 16266 1 2021 . 2 2 66 66 CYS H H 1 9.168 0.02 . 1 . . . . 366 C HN . 16266 1 2022 . 2 2 66 66 CYS HA H 1 4.590 0.02 . 1 . . . . 366 C HA . 16266 1 2023 . 2 2 66 66 CYS HB2 H 1 3.195 0.02 . 2 . . . . 366 C HB1 . 16266 1 2024 . 2 2 66 66 CYS HB3 H 1 2.758 0.02 . 2 . . . . 366 C HB2 . 16266 1 2025 . 2 2 66 66 CYS C C 13 176.269 0.3 . 1 . . . . 366 C C . 16266 1 2026 . 2 2 66 66 CYS CA C 13 59.304 0.3 . 1 . . . . 366 C CA . 16266 1 2027 . 2 2 66 66 CYS CB C 13 31.740 0.3 . 1 . . . . 366 C CB . 16266 1 2028 . 2 2 66 66 CYS N N 15 121.656 0.3 . 1 . . . . 366 C N . 16266 1 2029 . 2 2 67 67 HIS H H 1 7.713 0.02 . 1 . . . . 367 H HN . 16266 1 2030 . 2 2 67 67 HIS HA H 1 4.850 0.02 . 1 . . . . 367 H HA . 16266 1 2031 . 2 2 67 67 HIS HB2 H 1 3.776 0.02 . 2 . . . . 367 H HB1 . 16266 1 2032 . 2 2 67 67 HIS HB3 H 1 3.389 0.02 . 2 . . . . 367 H HB2 . 16266 1 2033 . 2 2 67 67 HIS HD2 H 1 7.328 0.02 . 1 . . . . 367 H HD2 . 16266 1 2034 . 2 2 67 67 HIS C C 13 171.154 0.3 . 1 . . . . 367 H C . 16266 1 2035 . 2 2 67 67 HIS CA C 13 56.260 0.3 . 1 . . . . 367 H CA . 16266 1 2036 . 2 2 67 67 HIS CB C 13 26.791 0.3 . 1 . . . . 367 H CB . 16266 1 2037 . 2 2 67 67 HIS N N 15 114.997 0.3 . 1 . . . . 367 H N . 16266 1 2038 . 2 2 68 68 ALA H H 1 8.602 0.02 . 1 . . . . 368 A HN . 16266 1 2039 . 2 2 68 68 ALA HA H 1 4.248 0.02 . 1 . . . . 368 A HA . 16266 1 2040 . 2 2 68 68 ALA HB1 H 1 1.423 0.02 . 1 . . . . 368 A HB1 . 16266 1 2041 . 2 2 68 68 ALA HB2 H 1 1.423 0.02 . 1 . . . . 368 A HB1 . 16266 1 2042 . 2 2 68 68 ALA HB3 H 1 1.423 0.02 . 1 . . . . 368 A HB1 . 16266 1 2043 . 2 2 68 68 ALA C C 13 177.987 0.3 . 1 . . . . 368 A C . 16266 1 2044 . 2 2 68 68 ALA CA C 13 53.390 0.3 . 1 . . . . 368 A CA . 16266 1 2045 . 2 2 68 68 ALA CB C 13 19.300 0.3 . 1 . . . . 368 A CB . 16266 1 2046 . 2 2 68 68 ALA N N 15 119.818 0.3 . 1 . . . . 368 A N . 16266 1 2047 . 2 2 69 69 PHE H H 1 8.331 0.02 . 1 . . . . 369 F HN . 16266 1 2048 . 2 2 69 69 PHE HA H 1 4.718 0.02 . 1 . . . . 369 F HA . 16266 1 2049 . 2 2 69 69 PHE HB2 H 1 3.084 0.02 . 2 . . . . 369 F HB1 . 16266 1 2050 . 2 2 69 69 PHE HB3 H 1 2.923 0.02 . 2 . . . . 369 F HB2 . 16266 1 2051 . 2 2 69 69 PHE HD1 H 1 6.914 0.02 . 3 . . . . 369 F HD1 . 16266 1 2052 . 2 2 69 69 PHE HE1 H 1 7.256 0.02 . 3 . . . . 369 F HE1 . 16266 1 2053 . 2 2 69 69 PHE C C 13 174.293 0.3 . 1 . . . . 369 F C . 16266 1 2054 . 2 2 69 69 PHE CA C 13 58.362 0.3 . 1 . . . . 369 F CA . 16266 1 2055 . 2 2 69 69 PHE CB C 13 39.927 0.3 . 1 . . . . 369 F CB . 16266 1 2056 . 2 2 69 69 PHE N N 15 122.654 0.3 . 1 . . . . 369 F N . 16266 1 2057 . 2 2 70 70 LEU H H 1 7.466 0.02 . 1 . . . . 370 L HN . 16266 1 2058 . 2 2 70 70 LEU HA H 1 4.581 0.02 . 1 . . . . 370 L HA . 16266 1 2059 . 2 2 70 70 LEU HB2 H 1 1.201 0.02 . 2 . . . . 370 L HB1 . 16266 1 2060 . 2 2 70 70 LEU HB3 H 1 0.702 0.02 . 2 . . . . 370 L HB2 . 16266 1 2061 . 2 2 70 70 LEU HD11 H 1 0.911 0.02 . 2 . . . . 370 L HD11 . 16266 1 2062 . 2 2 70 70 LEU HD12 H 1 0.911 0.02 . 2 . . . . 370 L HD11 . 16266 1 2063 . 2 2 70 70 LEU HD13 H 1 0.911 0.02 . 2 . . . . 370 L HD11 . 16266 1 2064 . 2 2 70 70 LEU HD21 H 1 0.508 0.02 . 2 . . . . 370 L HD21 . 16266 1 2065 . 2 2 70 70 LEU HD22 H 1 0.508 0.02 . 2 . . . . 370 L HD21 . 16266 1 2066 . 2 2 70 70 LEU HD23 H 1 0.508 0.02 . 2 . . . . 370 L HD21 . 16266 1 2067 . 2 2 70 70 LEU HG H 1 0.520 0.02 . 1 . . . . 370 L HG . 16266 1 2068 . 2 2 70 70 LEU C C 13 176.108 0.3 . 1 . . . . 370 L C . 16266 1 2069 . 2 2 70 70 LEU CA C 13 53.352 0.3 . 1 . . . . 370 L CA . 16266 1 2070 . 2 2 70 70 LEU CB C 13 43.358 0.3 . 1 . . . . 370 L CB . 16266 1 2071 . 2 2 70 70 LEU CD1 C 13 22.735 0.3 . 2 . . . . 370 L CD1 . 16266 1 2072 . 2 2 70 70 LEU CG C 13 26.239 0.3 . 1 . . . . 370 L CG . 16266 1 2073 . 2 2 70 70 LEU N N 15 125.064 0.3 . 1 . . . . 370 L N . 16266 1 2074 . 2 2 71 71 VAL H H 1 9.610 0.02 . 1 . . . . 371 V HN . 16266 1 2075 . 2 2 71 71 VAL HA H 1 4.158 0.02 . 1 . . . . 371 V HA . 16266 1 2076 . 2 2 71 71 VAL HB H 1 2.012 0.02 . 1 . . . . 371 V HB . 16266 1 2077 . 2 2 71 71 VAL HG11 H 1 0.888 0.02 . 2 . . . . 371 V HG11 . 16266 1 2078 . 2 2 71 71 VAL HG12 H 1 0.888 0.02 . 2 . . . . 371 V HG11 . 16266 1 2079 . 2 2 71 71 VAL HG13 H 1 0.888 0.02 . 2 . . . . 371 V HG11 . 16266 1 2080 . 2 2 71 71 VAL HG21 H 1 0.301 0.02 . 2 . . . . 371 V HG21 . 16266 1 2081 . 2 2 71 71 VAL HG22 H 1 0.301 0.02 . 2 . . . . 371 V HG21 . 16266 1 2082 . 2 2 71 71 VAL HG23 H 1 0.301 0.02 . 2 . . . . 371 V HG21 . 16266 1 2083 . 2 2 71 71 VAL CA C 13 59.304 0.3 . 1 . . . . 371 V CA . 16266 1 2084 . 2 2 71 71 VAL CB C 13 33.667 0.3 . 1 . . . . 371 V CB . 16266 1 2085 . 2 2 71 71 VAL CG1 C 13 21.173 0.3 . 2 . . . . 371 V CG1 . 16266 1 2086 . 2 2 71 71 VAL CG2 C 13 16.489 0.3 . 2 . . . . 371 V CG2 . 16266 1 2087 . 2 2 71 71 VAL N N 15 125.714 0.3 . 1 . . . . 371 V N . 16266 1 2088 . 2 2 72 72 PRO HA H 1 4.203 0.02 . 1 . . . . 372 P HA . 16266 1 2089 . 2 2 72 72 PRO HB2 H 1 2.228 0.02 . 2 . . . . 372 P HB1 . 16266 1 2090 . 2 2 72 72 PRO HB3 H 1 2.036 0.02 . 2 . . . . 372 P HB2 . 16266 1 2091 . 2 2 72 72 PRO HD2 H 1 3.624 0.02 . 2 . . . . 372 P HD1 . 16266 1 2092 . 2 2 72 72 PRO C C 13 176.487 0.3 . 1 . . . . 372 P C . 16266 1 2093 . 2 2 72 72 PRO CA C 13 63.679 0.3 . 1 . . . . 372 P CA . 16266 1 2094 . 2 2 72 72 PRO CB C 13 31.631 0.3 . 1 . . . . 372 P CB . 16266 1 2095 . 2 2 72 72 PRO CD C 13 51.488 0.3 . 1 . . . . 372 P CD . 16266 1 2096 . 2 2 72 72 PRO CG C 13 27.737 0.3 . 1 . . . . 372 P CG . 16266 1 2097 . 2 2 73 73 GLY H H 1 8.550 0.02 . 1 . . . . 373 G HN . 16266 1 2098 . 2 2 73 73 GLY HA2 H 1 4.571 0.02 . 2 . . . . 373 G HA1 . 16266 1 2099 . 2 2 73 73 GLY HA3 H 1 3.877 0.02 . 2 . . . . 373 G HA2 . 16266 1 2100 . 2 2 73 73 GLY C C 13 173.949 0.3 . 1 . . . . 373 G C . 16266 1 2101 . 2 2 73 73 GLY CA C 13 45.238 0.3 . 1 . . . . 373 G CA . 16266 1 2102 . 2 2 73 73 GLY N N 15 112.928 0.3 . 1 . . . . 373 G N . 16266 1 2103 . 2 2 74 74 ILE H H 1 8.325 0.02 . 1 . . . . 374 I HN . 16266 1 2104 . 2 2 74 74 ILE HA H 1 4.539 0.02 . 1 . . . . 374 I HA . 16266 1 2105 . 2 2 74 74 ILE HB H 1 1.999 0.02 . 1 . . . . 374 I HB . 16266 1 2106 . 2 2 74 74 ILE HD11 H 1 1.030 0.02 . 1 . . . . 374 I HD11 . 16266 1 2107 . 2 2 74 74 ILE HD12 H 1 1.030 0.02 . 1 . . . . 374 I HD11 . 16266 1 2108 . 2 2 74 74 ILE HD13 H 1 1.030 0.02 . 1 . . . . 374 I HD11 . 16266 1 2109 . 2 2 74 74 ILE HG12 H 1 1.594 0.02 . 2 . . . . 374 I HG11 . 16266 1 2110 . 2 2 74 74 ILE HG21 H 1 1.238 0.02 . 1 . . . . 374 I HG21 . 16266 1 2111 . 2 2 74 74 ILE HG22 H 1 1.238 0.02 . 1 . . . . 374 I HG21 . 16266 1 2112 . 2 2 74 74 ILE HG23 H 1 1.238 0.02 . 1 . . . . 374 I HG21 . 16266 1 2113 . 2 2 74 74 ILE C C 13 175.758 0.3 . 1 . . . . 374 I C . 16266 1 2114 . 2 2 74 74 ILE CA C 13 62.318 0.3 . 1 . . . . 374 I CA . 16266 1 2115 . 2 2 74 74 ILE CB C 13 38.194 0.3 . 1 . . . . 374 I CB . 16266 1 2116 . 2 2 74 74 ILE CD1 C 13 11.487 0.3 . 1 . . . . 374 I CD1 . 16266 1 2117 . 2 2 74 74 ILE CG1 C 13 27.107 0.3 . 1 . . . . 374 I CG1 . 16266 1 2118 . 2 2 74 74 ILE CG2 C 13 16.957 0.3 . 1 . . . . 374 I CG2 . 16266 1 2119 . 2 2 74 74 ILE N N 15 120.692 0.3 . 1 . . . . 374 I N . 16266 1 2120 . 2 2 75 75 ASN H H 1 8.424 0.02 . 1 . . . . 375 N HN . 16266 1 2121 . 2 2 75 75 ASN HA H 1 4.973 0.02 . 1 . . . . 375 N HA . 16266 1 2122 . 2 2 75 75 ASN HB2 H 1 3.475 0.02 . 2 . . . . 375 N HB1 . 16266 1 2123 . 2 2 75 75 ASN HB3 H 1 2.898 0.02 . 2 . . . . 375 N HB2 . 16266 1 2124 . 2 2 75 75 ASN C C 13 173.089 0.3 . 1 . . . . 375 N C . 16266 1 2125 . 2 2 75 75 ASN CA C 13 52.110 0.3 . 1 . . . . 375 N CA . 16266 1 2126 . 2 2 75 75 ASN CB C 13 38.221 0.3 . 1 . . . . 375 N CB . 16266 1 2127 . 2 2 75 75 ASN N N 15 116.533 0.3 . 1 . . . . 375 N N . 16266 1 2128 . 2 2 76 76 ALA H H 1 7.250 0.02 . 1 . . . . 376 A HN . 16266 1 2129 . 2 2 76 76 ALA HA H 1 5.536 0.02 . 1 . . . . 376 A HA . 16266 1 2130 . 2 2 76 76 ALA HB1 H 1 1.086 0.02 . 1 . . . . 376 A HB1 . 16266 1 2131 . 2 2 76 76 ALA HB2 H 1 1.086 0.02 . 1 . . . . 376 A HB1 . 16266 1 2132 . 2 2 76 76 ALA HB3 H 1 1.086 0.02 . 1 . . . . 376 A HB1 . 16266 1 2133 . 2 2 76 76 ALA C C 13 176.440 0.3 . 1 . . . . 376 A C . 16266 1 2134 . 2 2 76 76 ALA CA C 13 50.081 0.3 . 1 . . . . 376 A CA . 16266 1 2135 . 2 2 76 76 ALA CB C 13 22.878 0.3 . 1 . . . . 376 A CB . 16266 1 2136 . 2 2 76 76 ALA N N 15 117.945 0.3 . 1 . . . . 376 A N . 16266 1 2137 . 2 2 77 77 ARG H H 1 8.839 0.02 . 1 . . . . 377 R HN . 16266 1 2138 . 2 2 77 77 ARG HA H 1 4.959 0.02 . 1 . . . . 377 R HA . 16266 1 2139 . 2 2 77 77 ARG HB2 H 1 1.731 0.02 . 2 . . . . 377 R HB1 . 16266 1 2140 . 2 2 77 77 ARG HD2 H 1 3.301 0.02 . 2 . . . . 377 R HD1 . 16266 1 2141 . 2 2 77 77 ARG HG2 H 1 1.739 0.02 . 2 . . . . 377 R HG1 . 16266 1 2142 . 2 2 77 77 ARG HG3 H 1 1.597 0.02 . 2 . . . . 377 R HG2 . 16266 1 2143 . 2 2 77 77 ARG C C 13 174.812 0.3 . 1 . . . . 377 R C . 16266 1 2144 . 2 2 77 77 ARG CA C 13 54.454 0.3 . 1 . . . . 377 R CA . 16266 1 2145 . 2 2 77 77 ARG CB C 13 33.334 0.3 . 1 . . . . 377 R CB . 16266 1 2146 . 2 2 77 77 ARG CD C 13 43.728 0.3 . 1 . . . . 377 R CD . 16266 1 2147 . 2 2 77 77 ARG CG C 13 27.409 0.3 . 1 . . . . 377 R CG . 16266 1 2148 . 2 2 77 77 ARG N N 15 123.528 0.3 . 1 . . . . 377 R N . 16266 1 2149 . 2 2 78 78 VAL H H 1 8.866 0.02 . 1 . . . . 378 V HN . 16266 1 2150 . 2 2 78 78 VAL HA H 1 5.168 0.02 . 1 . . . . 378 V HA . 16266 1 2151 . 2 2 78 78 VAL HB H 1 2.009 0.02 . 1 . . . . 378 V HB . 16266 1 2152 . 2 2 78 78 VAL HG11 H 1 0.943 0.02 . 2 . . . . 378 V HG11 . 16266 1 2153 . 2 2 78 78 VAL HG12 H 1 0.943 0.02 . 2 . . . . 378 V HG11 . 16266 1 2154 . 2 2 78 78 VAL HG13 H 1 0.943 0.02 . 2 . . . . 378 V HG11 . 16266 1 2155 . 2 2 78 78 VAL HG21 H 1 0.997 0.02 . 2 . . . . 378 V HG21 . 16266 1 2156 . 2 2 78 78 VAL HG22 H 1 0.997 0.02 . 2 . . . . 378 V HG21 . 16266 1 2157 . 2 2 78 78 VAL HG23 H 1 0.997 0.02 . 2 . . . . 378 V HG21 . 16266 1 2158 . 2 2 78 78 VAL C C 13 175.540 0.3 . 1 . . . . 378 V C . 16266 1 2159 . 2 2 78 78 VAL CA C 13 61.164 0.3 . 1 . . . . 378 V CA . 16266 1 2160 . 2 2 78 78 VAL CB C 13 33.997 0.3 . 1 . . . . 378 V CB . 16266 1 2161 . 2 2 78 78 VAL CG1 C 13 21.169 0.3 . 2 . . . . 378 V CG1 . 16266 1 2162 . 2 2 78 78 VAL CG2 C 13 21.169 0.3 . 2 . . . . 378 V CG2 . 16266 1 2163 . 2 2 78 78 VAL N N 15 127.486 0.3 . 1 . . . . 378 V N . 16266 1 2164 . 2 2 79 79 ARG H H 1 9.003 0.02 . 1 . . . . 379 R HN . 16266 1 2165 . 2 2 79 79 ARG HA H 1 4.770 0.02 . 1 . . . . 379 R HA . 16266 1 2166 . 2 2 79 79 ARG HB2 H 1 1.719 0.02 . 2 . . . . 379 R HB1 . 16266 1 2167 . 2 2 79 79 ARG HB3 H 1 1.801 0.02 . 2 . . . . 379 R HB2 . 16266 1 2168 . 2 2 79 79 ARG HD2 H 1 3.260 0.02 . 2 . . . . 379 R HD1 . 16266 1 2169 . 2 2 79 79 ARG HD3 H 1 3.287 0.02 . 2 . . . . 379 R HD2 . 16266 1 2170 . 2 2 79 79 ARG HG2 H 1 1.610 0.02 . 2 . . . . 379 R HG1 . 16266 1 2171 . 2 2 79 79 ARG C C 13 173.867 0.3 . 1 . . . . 379 R C . 16266 1 2172 . 2 2 79 79 ARG CA C 13 54.166 0.3 . 1 . . . . 379 R CA . 16266 1 2173 . 2 2 79 79 ARG CB C 13 34.150 0.3 . 1 . . . . 379 R CB . 16266 1 2174 . 2 2 79 79 ARG CD C 13 43.728 0.3 . 1 . . . . 379 R CD . 16266 1 2175 . 2 2 79 79 ARG CG C 13 26.953 0.3 . 1 . . . . 379 R CG . 16266 1 2176 . 2 2 79 79 ARG N N 15 126.813 0.3 . 1 . . . . 379 R N . 16266 1 2177 . 2 2 80 80 LEU H H 1 8.484 0.02 . 1 . . . . 380 L HN . 16266 1 2178 . 2 2 80 80 LEU HA H 1 4.731 0.02 . 1 . . . . 380 L HA . 16266 1 2179 . 2 2 80 80 LEU HB2 H 1 1.610 0.02 . 2 . . . . 380 L HB1 . 16266 1 2180 . 2 2 80 80 LEU HB3 H 1 1.388 0.02 . 2 . . . . 380 L HB2 . 16266 1 2181 . 2 2 80 80 LEU HD11 H 1 0.624 0.02 . 2 . . . . 380 L HD11 . 16266 1 2182 . 2 2 80 80 LEU HD12 H 1 0.624 0.02 . 2 . . . . 380 L HD11 . 16266 1 2183 . 2 2 80 80 LEU HD13 H 1 0.624 0.02 . 2 . . . . 380 L HD11 . 16266 1 2184 . 2 2 80 80 LEU HD21 H 1 0.536 0.02 . 2 . . . . 380 L HD21 . 16266 1 2185 . 2 2 80 80 LEU HD22 H 1 0.536 0.02 . 2 . . . . 380 L HD21 . 16266 1 2186 . 2 2 80 80 LEU HD23 H 1 0.536 0.02 . 2 . . . . 380 L HD21 . 16266 1 2187 . 2 2 80 80 LEU HG H 1 1.227 0.02 . 1 . . . . 380 L HG . 16266 1 2188 . 2 2 80 80 LEU C C 13 176.268 0.3 . 1 . . . . 380 L C . 16266 1 2189 . 2 2 80 80 LEU CA C 13 54.579 0.3 . 1 . . . . 380 L CA . 16266 1 2190 . 2 2 80 80 LEU CB C 13 42.910 0.3 . 1 . . . . 380 L CB . 16266 1 2191 . 2 2 80 80 LEU CD1 C 13 24.918 0.3 . 2 . . . . 380 L CD1 . 16266 1 2192 . 2 2 80 80 LEU CD2 C 13 23.674 0.3 . 2 . . . . 380 L CD2 . 16266 1 2193 . 2 2 80 80 LEU CG C 13 27.737 0.3 . 1 . . . . 380 L CG . 16266 1 2194 . 2 2 80 80 LEU N N 15 125.159 0.3 . 1 . . . . 380 L N . 16266 1 2195 . 2 2 81 81 ARG H H 1 8.777 0.02 . 1 . . . . 381 R HN . 16266 1 2196 . 2 2 81 81 ARG HA H 1 3.629 0.02 . 1 . . . . 381 R HA . 16266 1 2197 . 2 2 81 81 ARG HB2 H 1 1.566 0.02 . 2 . . . . 381 R HB1 . 16266 1 2198 . 2 2 81 81 ARG HB3 H 1 1.670 0.02 . 2 . . . . 381 R HB2 . 16266 1 2199 . 2 2 81 81 ARG HD2 H 1 3.209 0.02 . 2 . . . . 381 R HD1 . 16266 1 2200 . 2 2 81 81 ARG HG2 H 1 1.198 0.02 . 2 . . . . 381 R HG1 . 16266 1 2201 . 2 2 81 81 ARG HG3 H 1 0.941 0.02 . 2 . . . . 381 R HG2 . 16266 1 2202 . 2 2 81 81 ARG CA C 13 54.485 0.3 . 1 . . . . 381 R CA . 16266 1 2203 . 2 2 81 81 ARG CB C 13 32.111 0.3 . 1 . . . . 381 R CB . 16266 1 2204 . 2 2 81 81 ARG N N 15 126.488 0.3 . 1 . . . . 381 R N . 16266 1 2205 . 2 2 86 86 PRO HA H 1 4.846 0.02 . 1 . . . . 386 P HA . 16266 1 2206 . 2 2 86 86 PRO HB2 H 1 2.251 0.02 . 2 . . . . 386 P HB1 . 16266 1 2207 . 2 2 86 86 PRO HD2 H 1 3.898 0.02 . 2 . . . . 386 P HD1 . 16266 1 2208 . 2 2 86 86 PRO HG2 H 1 1.651 0.02 . 2 . . . . 386 P HG1 . 16266 1 2209 . 2 2 86 86 PRO C C 13 176.440 0.3 . 1 . . . . 386 P C . 16266 1 2210 . 2 2 86 86 PRO CA C 13 63.361 0.3 . 1 . . . . 386 P CA . 16266 1 2211 . 2 2 86 86 PRO CB C 13 31.803 0.3 . 1 . . . . 386 P CB . 16266 1 2212 . 2 2 86 86 PRO CD C 13 50.860 0.3 . 1 . . . . 386 P CD . 16266 1 2213 . 2 2 86 86 PRO CG C 13 27.104 0.3 . 1 . . . . 386 P CG . 16266 1 2214 . 2 2 87 87 HIS H H 1 8.555 0.02 . 1 . . . . 387 H HN . 16266 1 2215 . 2 2 87 87 HIS HA H 1 5.162 0.02 . 1 . . . . 387 H HA . 16266 1 2216 . 2 2 87 87 HIS HB2 H 1 3.181 0.02 . 2 . . . . 387 H HB1 . 16266 1 2217 . 2 2 87 87 HIS HB3 H 1 3.020 0.02 . 2 . . . . 387 H HB2 . 16266 1 2218 . 2 2 87 87 HIS HE1 H 1 7.901 0.02 . 1 . . . . 387 H HE1 . 16266 1 2219 . 2 2 87 87 HIS C C 13 172.750 0.3 . 1 . . . . 387 H C . 16266 1 2220 . 2 2 87 87 HIS CA C 13 55.552 0.3 . 1 . . . . 387 H CA . 16266 1 2221 . 2 2 87 87 HIS CB C 13 31.799 0.3 . 1 . . . . 387 H CB . 16266 1 2222 . 2 2 87 87 HIS N N 15 119.156 0.3 . 1 . . . . 387 H N . 16266 1 2223 . 2 2 88 88 ILE H H 1 9.228 0.02 . 1 . . . . 388 I HN . 16266 1 2224 . 2 2 88 88 ILE HA H 1 4.704 0.02 . 1 . . . . 388 I HA . 16266 1 2225 . 2 2 88 88 ILE HB H 1 1.791 0.02 . 1 . . . . 388 I HB . 16266 1 2226 . 2 2 88 88 ILE HD11 H 1 1.040 0.02 . 1 . . . . 388 I HD11 . 16266 1 2227 . 2 2 88 88 ILE HD12 H 1 1.040 0.02 . 1 . . . . 388 I HD11 . 16266 1 2228 . 2 2 88 88 ILE HD13 H 1 1.040 0.02 . 1 . . . . 388 I HD11 . 16266 1 2229 . 2 2 88 88 ILE HG12 H 1 1.112 0.02 . 2 . . . . 388 I HG11 . 16266 1 2230 . 2 2 88 88 ILE HG21 H 1 0.878 0.02 . 1 . . . . 388 I HG21 . 16266 1 2231 . 2 2 88 88 ILE HG22 H 1 0.878 0.02 . 1 . . . . 388 I HG21 . 16266 1 2232 . 2 2 88 88 ILE HG23 H 1 0.878 0.02 . 1 . . . . 388 I HG21 . 16266 1 2233 . 2 2 88 88 ILE CA C 13 59.926 0.3 . 1 . . . . 388 I CA . 16266 1 2234 . 2 2 88 88 ILE CB C 13 40.235 0.3 . 1 . . . . 388 I CB . 16266 1 2235 . 2 2 88 88 ILE CD1 C 13 16.800 0.3 . 1 . . . . 388 I CD1 . 16266 1 2236 . 2 2 88 88 ILE CG1 C 13 28.051 0.3 . 1 . . . . 388 I CG1 . 16266 1 2237 . 2 2 88 88 ILE CG2 C 13 18.042 0.3 . 1 . . . . 388 I CG2 . 16266 1 2238 . 2 2 88 88 ILE N N 15 120.905 0.3 . 1 . . . . 388 I N . 16266 1 2239 . 2 2 89 89 VAL HA H 1 4.838 0.02 . 1 . . . . 389 V HA . 16266 1 2240 . 2 2 89 89 VAL HB H 1 2.010 0.02 . 1 . . . . 389 V HB . 16266 1 2241 . 2 2 89 89 VAL HG11 H 1 0.941 0.02 . 2 . . . . 389 V HG11 . 16266 1 2242 . 2 2 89 89 VAL HG12 H 1 0.941 0.02 . 2 . . . . 389 V HG11 . 16266 1 2243 . 2 2 89 89 VAL HG13 H 1 0.941 0.02 . 2 . . . . 389 V HG11 . 16266 1 2244 . 2 2 89 89 VAL HG21 H 1 0.938 0.02 . 2 . . . . 389 V HG21 . 16266 1 2245 . 2 2 89 89 VAL HG22 H 1 0.938 0.02 . 2 . . . . 389 V HG21 . 16266 1 2246 . 2 2 89 89 VAL HG23 H 1 0.938 0.02 . 2 . . . . 389 V HG21 . 16266 1 2247 . 2 2 89 89 VAL C C 13 175.068 0.3 . 1 . . . . 389 V C . 16266 1 2248 . 2 2 89 89 VAL CA C 13 60.947 0.3 . 1 . . . . 389 V CA . 16266 1 2249 . 2 2 89 89 VAL CB C 13 33.981 0.3 . 1 . . . . 389 V CB . 16266 1 2250 . 2 2 89 89 VAL CG1 C 13 21.254 0.3 . 2 . . . . 389 V CG1 . 16266 1 2251 . 2 2 89 89 VAL CG2 C 13 21.664 0.3 . 2 . . . . 389 V CG2 . 16266 1 2252 . 2 2 90 90 VAL H H 1 9.312 0.02 . 1 . . . . 390 V HN . 16266 1 2253 . 2 2 90 90 VAL HA H 1 4.770 0.02 . 1 . . . . 390 V HA . 16266 1 2254 . 2 2 90 90 VAL HB H 1 2.235 0.02 . 1 . . . . 390 V HB . 16266 1 2255 . 2 2 90 90 VAL HG11 H 1 0.849 0.02 . 2 . . . . 390 V HG11 . 16266 1 2256 . 2 2 90 90 VAL HG12 H 1 0.849 0.02 . 2 . . . . 390 V HG11 . 16266 1 2257 . 2 2 90 90 VAL HG13 H 1 0.849 0.02 . 2 . . . . 390 V HG11 . 16266 1 2258 . 2 2 90 90 VAL HG21 H 1 1.102 0.02 . 2 . . . . 390 V HG21 . 16266 1 2259 . 2 2 90 90 VAL HG22 H 1 1.102 0.02 . 2 . . . . 390 V HG21 . 16266 1 2260 . 2 2 90 90 VAL HG23 H 1 1.102 0.02 . 2 . . . . 390 V HG21 . 16266 1 2261 . 2 2 90 90 VAL C C 13 173.778 0.3 . 1 . . . . 390 V C . 16266 1 2262 . 2 2 90 90 VAL CA C 13 60.972 0.3 . 1 . . . . 390 V CA . 16266 1 2263 . 2 2 90 90 VAL CB C 13 33.999 0.3 . 1 . . . . 390 V CB . 16266 1 2264 . 2 2 90 90 VAL CG1 C 13 21.086 0.3 . 2 . . . . 390 V CG1 . 16266 1 2265 . 2 2 90 90 VAL CG2 C 13 25.428 0.3 . 2 . . . . 390 V CG2 . 16266 1 2266 . 2 2 90 90 VAL N N 15 128.349 0.3 . 1 . . . . 390 V N . 16266 1 2267 . 2 2 91 91 LYS H H 1 9.022 0.02 . 1 . . . . 391 K HN . 16266 1 2268 . 2 2 91 91 LYS HA H 1 5.168 0.02 . 1 . . . . 391 K HA . 16266 1 2269 . 2 2 91 91 LYS HB2 H 1 1.802 0.02 . 2 . . . . 391 K HB1 . 16266 1 2270 . 2 2 91 91 LYS HB3 H 1 1.539 0.02 . 2 . . . . 391 K HB2 . 16266 1 2271 . 2 2 91 91 LYS HD2 H 1 1.516 0.02 . 2 . . . . 391 K HD1 . 16266 1 2272 . 2 2 91 91 LYS HD3 H 1 1.608 0.02 . 2 . . . . 391 K HD2 . 16266 1 2273 . 2 2 91 91 LYS HE2 H 1 2.942 0.02 . 2 . . . . 391 K HE1 . 16266 1 2274 . 2 2 91 91 LYS HG2 H 1 1.194 0.02 . 2 . . . . 391 K HG1 . 16266 1 2275 . 2 2 91 91 LYS C C 13 175.495 0.3 . 1 . . . . 391 K C . 16266 1 2276 . 2 2 91 91 LYS CA C 13 53.867 0.3 . 1 . . . . 391 K CA . 16266 1 2277 . 2 2 91 91 LYS CB C 13 36.173 0.3 . 1 . . . . 391 K CB . 16266 1 2278 . 2 2 91 91 LYS CD C 13 29.925 0.3 . 1 . . . . 391 K CD . 16266 1 2279 . 2 2 91 91 LYS CE C 13 42.328 0.3 . 1 . . . . 391 K CE . 16266 1 2280 . 2 2 91 91 LYS CG C 13 25.236 0.3 . 1 . . . . 391 K CG . 16266 1 2281 . 2 2 91 91 LYS N N 15 128.562 0.3 . 1 . . . . 391 K N . 16266 1 2282 . 2 2 92 92 CYS H H 1 9.034 0.02 . 1 . . . . 392 C HN . 16266 1 2283 . 2 2 92 92 CYS HA H 1 4.409 0.02 . 1 . . . . 392 C HA . 16266 1 2284 . 2 2 92 92 CYS HB2 H 1 3.461 0.02 . 2 . . . . 392 C HB1 . 16266 1 2285 . 2 2 92 92 CYS HB3 H 1 2.901 0.02 . 2 . . . . 392 C HB2 . 16266 1 2286 . 2 2 92 92 CYS C C 13 177.468 0.3 . 1 . . . . 392 C C . 16266 1 2287 . 2 2 92 92 CYS CA C 13 59.299 0.3 . 1 . . . . 392 C CA . 16266 1 2288 . 2 2 92 92 CYS CB C 13 32.110 0.3 . 1 . . . . 392 C CB . 16266 1 2289 . 2 2 92 92 CYS N N 15 130.535 0.3 . 1 . . . . 392 C N . 16266 1 2290 . 2 2 93 93 LEU H H 1 8.904 0.02 . 1 . . . . 393 L HN . 16266 1 2291 . 2 2 93 93 LEU HA H 1 4.474 0.02 . 1 . . . . 393 L HA . 16266 1 2292 . 2 2 93 93 LEU HB2 H 1 1.732 0.02 . 2 . . . . 393 L HB1 . 16266 1 2293 . 2 2 93 93 LEU HB3 H 1 1.541 0.02 . 2 . . . . 393 L HB2 . 16266 1 2294 . 2 2 93 93 LEU HD11 H 1 0.817 0.02 . 2 . . . . 393 L HD11 . 16266 1 2295 . 2 2 93 93 LEU HD12 H 1 0.817 0.02 . 2 . . . . 393 L HD11 . 16266 1 2296 . 2 2 93 93 LEU HD13 H 1 0.817 0.02 . 2 . . . . 393 L HD11 . 16266 1 2297 . 2 2 93 93 LEU HD21 H 1 0.777 0.02 . 2 . . . . 393 L HD21 . 16266 1 2298 . 2 2 93 93 LEU HD22 H 1 0.777 0.02 . 2 . . . . 393 L HD21 . 16266 1 2299 . 2 2 93 93 LEU HD23 H 1 0.777 0.02 . 2 . . . . 393 L HD21 . 16266 1 2300 . 2 2 93 93 LEU HG H 1 1.635 0.02 . 1 . . . . 393 L HG . 16266 1 2301 . 2 2 93 93 LEU C C 13 178.080 0.3 . 1 . . . . 393 L C . 16266 1 2302 . 2 2 93 93 LEU CA C 13 54.963 0.3 . 1 . . . . 393 L CA . 16266 1 2303 . 2 2 93 93 LEU CB C 13 40.230 0.3 . 1 . . . . 393 L CB . 16266 1 2304 . 2 2 93 93 LEU CD1 C 13 24.924 0.3 . 2 . . . . 393 L CD1 . 16266 1 2305 . 2 2 93 93 LEU CD2 C 13 21.783 0.3 . 2 . . . . 393 L CD2 . 16266 1 2306 . 2 2 93 93 LEU CG C 13 27.109 0.3 . 1 . . . . 393 L CG . 16266 1 2307 . 2 2 93 93 LEU N N 15 128.125 0.3 . 1 . . . . 393 L N . 16266 1 2308 . 2 2 94 94 GLU H H 1 9.469 0.02 . 1 . . . . 394 E HN . 16266 1 2309 . 2 2 94 94 GLU HA H 1 4.449 0.02 . 1 . . . . 394 E HA . 16266 1 2310 . 2 2 94 94 GLU HB2 H 1 2.237 0.02 . 2 . . . . 394 E HB1 . 16266 1 2311 . 2 2 94 94 GLU HB3 H 1 2.117 0.02 . 2 . . . . 394 E HB2 . 16266 1 2312 . 2 2 94 94 GLU HG2 H 1 2.467 0.02 . 2 . . . . 394 E HG1 . 16266 1 2313 . 2 2 94 94 GLU HG3 H 1 2.344 0.02 . 2 . . . . 394 E HG2 . 16266 1 2314 . 2 2 94 94 GLU C C 13 178.511 0.3 . 1 . . . . 394 E C . 16266 1 2315 . 2 2 94 94 GLU CA C 13 59.113 0.3 . 1 . . . . 394 E CA . 16266 1 2316 . 2 2 94 94 GLU CB C 13 29.300 0.3 . 1 . . . . 394 E CB . 16266 1 2317 . 2 2 94 94 GLU CG C 13 36.174 0.3 . 1 . . . . 394 E CG . 16266 1 2318 . 2 2 94 94 GLU N N 15 123.315 0.3 . 1 . . . . 394 E N . 16266 1 2319 . 2 2 95 95 CYS H H 1 9.074 0.02 . 1 . . . . 395 C HN . 16266 1 2320 . 2 2 95 95 CYS HA H 1 5.134 0.02 . 1 . . . . 395 C HA . 16266 1 2321 . 2 2 95 95 CYS HB2 H 1 3.296 0.02 . 2 . . . . 395 C HB1 . 16266 1 2322 . 2 2 95 95 CYS HB3 H 1 2.585 0.02 . 2 . . . . 395 C HB2 . 16266 1 2323 . 2 2 95 95 CYS C C 13 177.044 0.3 . 1 . . . . 395 C C . 16266 1 2324 . 2 2 95 95 CYS CA C 13 58.526 0.3 . 1 . . . . 395 C CA . 16266 1 2325 . 2 2 95 95 CYS CB C 13 33.051 0.3 . 1 . . . . 395 C CB . 16266 1 2326 . 2 2 95 95 CYS N N 15 119.593 0.3 . 1 . . . . 395 C N . 16266 1 2327 . 2 2 96 96 GLY H H 1 7.987 0.02 . 1 . . . . 396 G HN . 16266 1 2328 . 2 2 96 96 GLY HA2 H 1 4.441 0.02 . 2 . . . . 396 G HA1 . 16266 1 2329 . 2 2 96 96 GLY HA3 H 1 3.849 0.02 . 2 . . . . 396 G HA2 . 16266 1 2330 . 2 2 96 96 GLY C C 13 174.215 0.3 . 1 . . . . 396 G C . 16266 1 2331 . 2 2 96 96 GLY CA C 13 46.169 0.3 . 1 . . . . 396 G CA . 16266 1 2332 . 2 2 96 96 GLY N N 15 115.658 0.3 . 1 . . . . 396 G N . 16266 1 2333 . 2 2 97 97 HIS H H 1 9.291 0.02 . 1 . . . . 397 H HN . 16266 1 2334 . 2 2 97 97 HIS HA H 1 4.528 0.02 . 1 . . . . 397 H HA . 16266 1 2335 . 2 2 97 97 HIS HB2 H 1 3.365 0.02 . 2 . . . . 397 H HB1 . 16266 1 2336 . 2 2 97 97 HIS HD2 H 1 7.062 0.02 . 1 . . . . 397 H HD2 . 16266 1 2337 . 2 2 97 97 HIS C C 13 173.435 0.3 . 1 . . . . 397 H C . 16266 1 2338 . 2 2 97 97 HIS CA C 13 58.051 0.3 . 1 . . . . 397 H CA . 16266 1 2339 . 2 2 97 97 HIS CB C 13 32.342 0.3 . 1 . . . . 397 H CB . 16266 1 2340 . 2 2 97 97 HIS N N 15 125.714 0.3 . 1 . . . . 397 H N . 16266 1 2341 . 2 2 98 98 ILE H H 1 6.860 0.02 . 1 . . . . 398 I HN . 16266 1 2342 . 2 2 98 98 ILE HA H 1 4.751 0.02 . 1 . . . . 398 I HA . 16266 1 2343 . 2 2 98 98 ILE HB H 1 1.563 0.02 . 1 . . . . 398 I HB . 16266 1 2344 . 2 2 98 98 ILE HD11 H 1 0.877 0.02 . 1 . . . . 398 I HD11 . 16266 1 2345 . 2 2 98 98 ILE HD12 H 1 0.877 0.02 . 1 . . . . 398 I HD11 . 16266 1 2346 . 2 2 98 98 ILE HD13 H 1 0.877 0.02 . 1 . . . . 398 I HD11 . 16266 1 2347 . 2 2 98 98 ILE HG12 H 1 1.599 0.02 . 2 . . . . 398 I HG11 . 16266 1 2348 . 2 2 98 98 ILE HG13 H 1 1.764 0.02 . 2 . . . . 398 I HG12 . 16266 1 2349 . 2 2 98 98 ILE HG21 H 1 0.722 0.02 . 1 . . . . 398 I HG21 . 16266 1 2350 . 2 2 98 98 ILE HG22 H 1 0.722 0.02 . 1 . . . . 398 I HG21 . 16266 1 2351 . 2 2 98 98 ILE HG23 H 1 0.722 0.02 . 1 . . . . 398 I HG21 . 16266 1 2352 . 2 2 98 98 ILE C C 13 175.155 0.3 . 1 . . . . 398 I C . 16266 1 2353 . 2 2 98 98 ILE CA C 13 59.612 0.3 . 1 . . . . 398 I CA . 16266 1 2354 . 2 2 98 98 ILE CB C 13 39.923 0.3 . 1 . . . . 398 I CB . 16266 1 2355 . 2 2 98 98 ILE CD1 C 13 13.049 0.3 . 1 . . . . 398 I CD1 . 16266 1 2356 . 2 2 98 98 ILE CG1 C 13 28.021 0.3 . 1 . . . . 398 I CG1 . 16266 1 2357 . 2 2 98 98 ILE CG2 C 13 18.052 0.3 . 1 . . . . 398 I CG2 . 16266 1 2358 . 2 2 98 98 ILE N N 15 124.190 0.3 . 1 . . . . 398 I N . 16266 1 2359 . 2 2 99 99 MET H H 1 9.040 0.02 . 1 . . . . 399 M HN . 16266 1 2360 . 2 2 99 99 MET HA H 1 4.243 0.02 . 1 . . . . 399 M HA . 16266 1 2361 . 2 2 99 99 MET HB2 H 1 2.092 0.02 . 2 . . . . 399 M HB1 . 16266 1 2362 . 2 2 99 99 MET HB3 H 1 1.915 0.02 . 2 . . . . 399 M HB2 . 16266 1 2363 . 2 2 99 99 MET HG2 H 1 2.830 0.02 . 2 . . . . 399 M HG1 . 16266 1 2364 . 2 2 99 99 MET HG3 H 1 2.192 0.02 . 2 . . . . 399 M HG2 . 16266 1 2365 . 2 2 99 99 MET C C 13 173.309 0.3 . 1 . . . . 399 M C . 16266 1 2366 . 2 2 99 99 MET CA C 13 53.973 0.3 . 1 . . . . 399 M CA . 16266 1 2367 . 2 2 99 99 MET CB C 13 37.429 0.3 . 1 . . . . 399 M CB . 16266 1 2368 . 2 2 99 99 MET CG C 13 32.422 0.3 . 1 . . . . 399 M CG . 16266 1 2369 . 2 2 99 99 MET N N 15 126.925 0.3 . 1 . . . . 399 M N . 16266 1 2370 . 2 2 100 100 ARG H H 1 7.886 0.02 . 1 . . . . 400 R HN . 16266 1 2371 . 2 2 100 100 ARG HA H 1 5.389 0.02 . 1 . . . . 400 R HA . 16266 1 2372 . 2 2 100 100 ARG HB2 H 1 1.466 0.02 . 2 . . . . 400 R HB1 . 16266 1 2373 . 2 2 100 100 ARG HD2 H 1 2.877 0.02 . 2 . . . . 400 R HD1 . 16266 1 2374 . 2 2 100 100 ARG HG2 H 1 1.433 0.02 . 2 . . . . 400 R HG1 . 16266 1 2375 . 2 2 100 100 ARG HG3 H 1 1.463 0.02 . 2 . . . . 400 R HG2 . 16266 1 2376 . 2 2 100 100 ARG C C 13 175.238 0.3 . 1 . . . . 400 R C . 16266 1 2377 . 2 2 100 100 ARG CA C 13 54.302 0.3 . 1 . . . . 400 R CA . 16266 1 2378 . 2 2 100 100 ARG CB C 13 32.992 0.3 . 1 . . . . 400 R CB . 16266 1 2379 . 2 2 100 100 ARG CD C 13 43.049 0.3 . 1 . . . . 400 R CD . 16266 1 2380 . 2 2 100 100 ARG CG C 13 28.054 0.3 . 1 . . . . 400 R CG . 16266 1 2381 . 2 2 100 100 ARG N N 15 120.692 0.3 . 1 . . . . 400 R N . 16266 1 2382 . 2 2 101 101 TYR H H 1 9.084 0.02 . 1 . . . . 401 Y HN . 16266 1 2383 . 2 2 101 101 TYR HA H 1 5.155 0.02 . 1 . . . . 401 Y HA . 16266 1 2384 . 2 2 101 101 TYR HB2 H 1 3.214 0.02 . 2 . . . . 401 Y HB1 . 16266 1 2385 . 2 2 101 101 TYR HB3 H 1 2.593 0.02 . 2 . . . . 401 Y HB2 . 16266 1 2386 . 2 2 101 101 TYR HD1 H 1 7.085 0.02 . 3 . . . . 401 Y HD1 . 16266 1 2387 . 2 2 101 101 TYR CA C 13 54.923 0.3 . 1 . . . . 401 Y CA . 16266 1 2388 . 2 2 101 101 TYR CB C 13 40.577 0.3 . 1 . . . . 401 Y CB . 16266 1 2389 . 2 2 101 101 TYR N N 15 121.567 0.3 . 1 . . . . 401 Y N . 16266 1 2390 . 2 2 102 102 PRO HA H 1 4.541 0.02 . 1 . . . . 402 P HA . 16266 1 2391 . 2 2 102 102 PRO HB2 H 1 2.020 0.02 . 2 . . . . 402 P HB1 . 16266 1 2392 . 2 2 102 102 PRO HB3 H 1 1.885 0.02 . 2 . . . . 402 P HB2 . 16266 1 2393 . 2 2 102 102 PRO HD2 H 1 3.941 0.02 . 2 . . . . 402 P HD1 . 16266 1 2394 . 2 2 102 102 PRO HD3 H 1 3.670 0.02 . 2 . . . . 402 P HD2 . 16266 1 2395 . 2 2 102 102 PRO HG2 H 1 2.344 0.02 . 2 . . . . 402 P HG1 . 16266 1 2396 . 2 2 102 102 PRO HG3 H 1 2.210 0.02 . 2 . . . . 402 P HG2 . 16266 1 2397 . 2 2 102 102 PRO C C 13 175.754 0.3 . 1 . . . . 402 P C . 16266 1 2398 . 2 2 102 102 PRO CA C 13 63.177 0.3 . 1 . . . . 402 P CA . 16266 1 2399 . 2 2 102 102 PRO CB C 13 33.034 0.3 . 1 . . . . 402 P CB . 16266 1 2400 . 2 2 102 102 PRO CD C 13 51.009 0.3 . 1 . . . . 402 P CD . 16266 1 2401 . 2 2 102 102 PRO CG C 13 27.612 0.3 . 1 . . . . 402 P CG . 16266 1 2402 . 2 2 103 103 TYR H H 1 8.118 0.02 . 1 . . . . 403 Y HN . 16266 1 2403 . 2 2 103 103 TYR HA H 1 4.731 0.02 . 1 . . . . 403 Y HA . 16266 1 2404 . 2 2 103 103 TYR HB2 H 1 2.720 0.02 . 2 . . . . 403 Y HB1 . 16266 1 2405 . 2 2 103 103 TYR HD1 H 1 6.957 0.02 . 3 . . . . 403 Y HD1 . 16266 1 2406 . 2 2 103 103 TYR C C 13 173.965 0.3 . 1 . . . . 403 Y C . 16266 1 2407 . 2 2 103 103 TYR CA C 13 56.998 0.3 . 1 . . . . 403 Y CA . 16266 1 2408 . 2 2 103 103 TYR CB C 13 39.608 0.3 . 1 . . . . 403 Y CB . 16266 1 2409 . 2 2 103 103 TYR N N 15 123.528 0.3 . 1 . . . . 403 Y N . 16266 1 2410 . 2 2 104 104 ILE H H 1 7.589 0.02 . 1 . . . . 404 I HN . 16266 1 2411 . 2 2 104 104 ILE HA H 1 4.094 0.02 . 1 . . . . 404 I HA . 16266 1 2412 . 2 2 104 104 ILE HB H 1 1.740 0.02 . 1 . . . . 404 I HB . 16266 1 2413 . 2 2 104 104 ILE HD11 H 1 0.939 0.02 . 1 . . . . 404 I HD11 . 16266 1 2414 . 2 2 104 104 ILE HD12 H 1 0.939 0.02 . 1 . . . . 404 I HD11 . 16266 1 2415 . 2 2 104 104 ILE HD13 H 1 0.939 0.02 . 1 . . . . 404 I HD11 . 16266 1 2416 . 2 2 104 104 ILE HG12 H 1 1.377 0.02 . 2 . . . . 404 I HG11 . 16266 1 2417 . 2 2 104 104 ILE HG13 H 1 1.101 0.02 . 2 . . . . 404 I HG12 . 16266 1 2418 . 2 2 104 104 ILE HG21 H 1 0.835 0.02 . 1 . . . . 404 I HG21 . 16266 1 2419 . 2 2 104 104 ILE HG22 H 1 0.835 0.02 . 1 . . . . 404 I HG21 . 16266 1 2420 . 2 2 104 104 ILE HG23 H 1 0.835 0.02 . 1 . . . . 404 I HG21 . 16266 1 2421 . 2 2 104 104 ILE C C 13 174.813 0.3 . 1 . . . . 404 I C . 16266 1 2422 . 2 2 104 104 ILE CA C 13 59.931 0.3 . 1 . . . . 404 I CA . 16266 1 2423 . 2 2 104 104 ILE CB C 13 39.289 0.3 . 1 . . . . 404 I CB . 16266 1 2424 . 2 2 104 104 ILE CD1 C 13 11.998 0.3 . 1 . . . . 404 I CD1 . 16266 1 2425 . 2 2 104 104 ILE CG1 C 13 27.109 0.3 . 1 . . . . 404 I CG1 . 16266 1 2426 . 2 2 104 104 ILE CG2 C 13 17.419 0.3 . 1 . . . . 404 I CG2 . 16266 1 2427 . 2 2 104 104 ILE N N 15 126.384 0.3 . 1 . . . . 404 I N . 16266 1 2428 . 2 2 105 105 LYS H H 1 7.965 0.02 . 1 . . . . 405 K HN . 16266 1 2429 . 2 2 105 105 LYS CA C 13 56.532 0.3 . 1 . . . . 405 K CA . 16266 1 2430 . 2 2 105 105 LYS CB C 13 33.195 0.3 . 1 . . . . 405 K CB . 16266 1 2431 . 2 2 105 105 LYS N N 15 125.939 0.3 . 1 . . . . 405 K N . 16266 1 2432 . 2 2 118 118 GLY HA2 H 1 3.962 0.02 . 2 . . . . 418 G HA1 . 16266 1 2433 . 2 2 118 118 GLY C C 13 174.463 0.3 . 1 . . . . 418 G C . 16266 1 2434 . 2 2 118 118 GLY CA C 13 45.549 0.3 . 1 . . . . 418 G CA . 16266 1 2435 . 2 2 119 119 GLY H H 1 7.897 0.02 . 1 . . . . 419 G HN . 16266 1 2436 . 2 2 119 119 GLY HA2 H 1 3.982 0.02 . 2 . . . . 419 G HA1 . 16266 1 2437 . 2 2 119 119 GLY C C 13 173.786 0.3 . 1 . . . . 419 G C . 16266 1 2438 . 2 2 119 119 GLY CA C 13 45.236 0.3 . 1 . . . . 419 G CA . 16266 1 2439 . 2 2 119 119 GLY N N 15 108.493 0.3 . 1 . . . . 419 G N . 16266 1 2440 . 2 2 120 120 LEU H H 1 7.951 0.02 . 1 . . . . 420 L HN . 16266 1 2441 . 2 2 120 120 LEU HA H 1 4.405 0.02 . 1 . . . . 420 L HA . 16266 1 2442 . 2 2 120 120 LEU HB2 H 1 1.695 0.02 . 2 . . . . 420 L HB1 . 16266 1 2443 . 2 2 120 120 LEU HB3 H 1 1.632 0.02 . 2 . . . . 420 L HB2 . 16266 1 2444 . 2 2 120 120 LEU HD11 H 1 0.943 0.02 . 2 . . . . 420 L HD11 . 16266 1 2445 . 2 2 120 120 LEU HD12 H 1 0.943 0.02 . 2 . . . . 420 L HD11 . 16266 1 2446 . 2 2 120 120 LEU HD13 H 1 0.943 0.02 . 2 . . . . 420 L HD11 . 16266 1 2447 . 2 2 120 120 LEU HD21 H 1 0.893 0.02 . 2 . . . . 420 L HD21 . 16266 1 2448 . 2 2 120 120 LEU HD22 H 1 0.893 0.02 . 2 . . . . 420 L HD21 . 16266 1 2449 . 2 2 120 120 LEU HD23 H 1 0.893 0.02 . 2 . . . . 420 L HD21 . 16266 1 2450 . 2 2 120 120 LEU C C 13 176.696 0.3 . 1 . . . . 420 L C . 16266 1 2451 . 2 2 120 120 LEU CA C 13 55.234 0.3 . 1 . . . . 420 L CA . 16266 1 2452 . 2 2 120 120 LEU CB C 13 42.425 0.3 . 1 . . . . 420 L CB . 16266 1 2453 . 2 2 120 120 LEU CD1 C 13 24.925 0.3 . 2 . . . . 420 L CD1 . 16266 1 2454 . 2 2 120 120 LEU CD2 C 13 23.677 0.3 . 2 . . . . 420 L CD2 . 16266 1 2455 . 2 2 120 120 LEU CG C 13 27.260 0.3 . 1 . . . . 420 L CG . 16266 1 2456 . 2 2 120 120 LEU N N 15 121.804 0.3 . 1 . . . . 420 L N . 16266 1 2457 . 2 2 121 121 VAL H H 1 7.844 0.02 . 1 . . . . 421 V HN . 16266 1 2458 . 2 2 121 121 VAL HA H 1 4.466 0.02 . 1 . . . . 421 V HA . 16266 1 2459 . 2 2 121 121 VAL HB H 1 2.111 0.02 . 1 . . . . 421 V HB . 16266 1 2460 . 2 2 121 121 VAL HG11 H 1 0.963 0.02 . 2 . . . . 421 V HG11 . 16266 1 2461 . 2 2 121 121 VAL HG12 H 1 0.963 0.02 . 2 . . . . 421 V HG11 . 16266 1 2462 . 2 2 121 121 VAL HG13 H 1 0.963 0.02 . 2 . . . . 421 V HG11 . 16266 1 2463 . 2 2 121 121 VAL CA C 13 59.306 0.3 . 1 . . . . 421 V CA . 16266 1 2464 . 2 2 121 121 VAL CB C 13 32.736 0.3 . 1 . . . . 421 V CB . 16266 1 2465 . 2 2 121 121 VAL CG1 C 13 20.236 0.3 . 2 . . . . 421 V CG1 . 16266 1 2466 . 2 2 121 121 VAL N N 15 121.578 0.3 . 1 . . . . 421 V N . 16266 1 2467 . 2 2 122 122 PRO HA H 1 4.443 0.02 . 1 . . . . 422 P HA . 16266 1 2468 . 2 2 122 122 PRO HB2 H 1 2.230 0.02 . 2 . . . . 422 P HB1 . 16266 1 2469 . 2 2 122 122 PRO HB3 H 1 1.971 0.02 . 2 . . . . 422 P HB2 . 16266 1 2470 . 2 2 122 122 PRO HD2 H 1 3.826 0.02 . 2 . . . . 422 P HD1 . 16266 1 2471 . 2 2 122 122 PRO HD3 H 1 3.708 0.02 . 2 . . . . 422 P HD2 . 16266 1 2472 . 2 2 122 122 PRO HG2 H 1 2.081 0.02 . 2 . . . . 422 P HG1 . 16266 1 2473 . 2 2 122 122 PRO HG3 H 1 1.950 0.02 . 2 . . . . 422 P HG2 . 16266 1 2474 . 2 2 122 122 PRO C C 13 175.754 0.3 . 1 . . . . 422 P C . 16266 1 2475 . 2 2 122 122 PRO CA C 13 63.362 0.3 . 1 . . . . 422 P CA . 16266 1 2476 . 2 2 122 122 PRO CB C 13 31.635 0.3 . 1 . . . . 422 P CB . 16266 1 2477 . 2 2 122 122 PRO CD C 13 50.867 0.3 . 1 . . . . 422 P CD . 16266 1 2478 . 2 2 122 122 PRO CG C 13 27.422 0.3 . 1 . . . . 422 P CG . 16266 1 2479 . 2 2 123 123 ARG H H 1 7.754 0.02 . 1 . . . . 423 R HN . 16266 1 2480 . 2 2 123 123 ARG CA C 13 57.556 0.3 . 1 . . . . 423 R CA . 16266 1 2481 . 2 2 123 123 ARG CB C 13 31.625 0.3 . 1 . . . . 423 R CB . 16266 1 2482 . 2 2 123 123 ARG N N 15 126.813 0.3 . 1 . . . . 423 R N . 16266 1 stop_ save_