data_5999 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5999 _Entry.Title ; NMR Assignments of the Drosophila Argonaute 2 Paz domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-11-07 _Entry.Accession_date 2003-11-10 _Entry.Last_release_date 2004-06-30 _Entry.Original_release_date 2004-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andreas Lingel . . . 5999 2 Bernd Simon . . . 5999 3 Elisa Izaurralde . . . 5999 4 Michael Sattler . . . 5999 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5999 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 898 5999 '13C chemical shifts' 470 5999 '15N chemical shifts' 131 5999 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-06-30 2003-11-07 original author . 5999 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5999 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15213449 _Citation.Full_citation . _Citation.Title 'Letter to the Editor: NMR Assignments of the Drosophila Argonaute 2 PAZ domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _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 421 _Citation.Page_last 422 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andreas Lingel . . . 5999 1 2 Bernd Simon . . . 5999 1 3 Elisa Izaurralde . . . 5999 1 4 Michael Sattler . . . 5999 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PAZ domain' 5999 1 RNAi 5999 1 Argonaute 5999 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PAZ _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PAZ _Assembly.Entry_ID 5999 _Assembly.ID 1 _Assembly.Name 'Argonaute 2 PAZ domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5999 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ago2 PAZ domain' 1 $Ago2_PAZ . . . native . . . . . 5999 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1UPO . . . . . . 5999 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Argonaute 2 PAZ domain' system 5999 1 PAZ abbreviation 5999 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'nucleic acid binding domain' 5999 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ago2_PAZ _Entity.Sf_category entity _Entity.Sf_framecode Ago2_PAZ _Entity.Entry_ID 5999 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Argonaute 2 PAZ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMAMPMIEYLERFSLKAKI NNTTNLDYSRRFLEPFLRGI NVVYTPPQSFQSAPRVYRVN GLSRAPASSETFEHDGKKVT IASYFHSRNYPLKFPQLHCL NVGSSIKSILLPIELCSIEE GQALNRKDGATQVANMIKYA ATS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16065 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1R6Z . "The Crystal Structure Of The Argonaute2 Paz Domain (as A Mbp Fusion)" . . . . . 88.81 509 98.43 100.00 3.04e-84 . . . . 5999 1 2 no PDB 1T2R . "Structural Basis For 3' End Recognition Of Nucleic Acids By The Drosophila Argonaute 2 Paz Domain" . . . . . 86.01 123 100.00 100.00 4.41e-85 . . . . 5999 1 3 no PDB 1T2S . "Structural Basis For 3' End Recognition Of Nucleic Acids By The Drosophila Argonaute 2 Paz Domain" . . . . . 86.01 123 100.00 100.00 4.41e-85 . . . . 5999 1 4 no PDB 1VYN . "Structure And Nucleic Acid Binding Of The Drosophila Argonaute2 Paz Domain" . . . . . 100.00 143 100.00 100.00 6.71e-101 . . . . 5999 1 5 no PDB 3MJ0 . "Crystal Structure Of Drosophia Ago-Paz Domain In Complex With 3'-End 2'-O-Methylated Rna" . . . . . 86.01 124 99.19 100.00 2.01e-84 . . . . 5999 1 6 no GB AAF49619 . "argonaute 2, isoform B [Drosophila melanogaster]" . . . . . 98.60 1214 98.58 100.00 5.86e-87 . . . . 5999 1 7 no GB AAF49620 . "argonaute 2, isoform C [Drosophila melanogaster]" . . . . . 98.60 1217 98.58 100.00 1.20e-86 . . . . 5999 1 8 no GB AAM11104 . "GM07030p [Drosophila melanogaster]" . . . . . 98.60 694 98.58 100.00 8.10e-91 . . . . 5999 1 9 no GB AAO39550 . "RE04347p [Drosophila melanogaster]" . . . . . 98.60 1214 98.58 100.00 5.69e-87 . . . . 5999 1 10 no GB ABB54719 . "Argonaute-2 [Drosophila melanogaster]" . . . . . 98.60 839 98.58 100.00 8.06e-90 . . . . 5999 1 11 no REF NP_001261882 . "argonaute 2, isoform E [Drosophila melanogaster]" . . . . . 98.60 787 98.58 100.00 3.01e-90 . . . . 5999 1 12 no REF NP_648775 . "argonaute 2, isoform B [Drosophila melanogaster]" . . . . . 98.60 1214 98.58 100.00 5.86e-87 . . . . 5999 1 13 no REF NP_730054 . "argonaute 2, isoform C [Drosophila melanogaster]" . . . . . 98.60 1217 98.58 100.00 1.20e-86 . . . . 5999 1 14 no SP Q9VUQ5 . "RecName: Full=Protein argonaute-2 [Drosophila melanogaster]" . . . . . 98.60 1214 98.58 100.00 5.86e-87 . . . . 5999 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Argonaute 2 PAZ domain' common 5999 1 'Ago2 PAZ' abbreviation 5999 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5999 1 2 . ALA . 5999 1 3 . MET . 5999 1 4 . ALA . 5999 1 5 . MET . 5999 1 6 . PRO . 5999 1 7 . MET . 5999 1 8 . ILE . 5999 1 9 . GLU . 5999 1 10 . TYR . 5999 1 11 . LEU . 5999 1 12 . GLU . 5999 1 13 . ARG . 5999 1 14 . PHE . 5999 1 15 . SER . 5999 1 16 . LEU . 5999 1 17 . LYS . 5999 1 18 . ALA . 5999 1 19 . LYS . 5999 1 20 . ILE . 5999 1 21 . ASN . 5999 1 22 . ASN . 5999 1 23 . THR . 5999 1 24 . THR . 5999 1 25 . ASN . 5999 1 26 . LEU . 5999 1 27 . ASP . 5999 1 28 . TYR . 5999 1 29 . SER . 5999 1 30 . ARG . 5999 1 31 . ARG . 5999 1 32 . PHE . 5999 1 33 . LEU . 5999 1 34 . GLU . 5999 1 35 . PRO . 5999 1 36 . PHE . 5999 1 37 . LEU . 5999 1 38 . ARG . 5999 1 39 . GLY . 5999 1 40 . ILE . 5999 1 41 . ASN . 5999 1 42 . VAL . 5999 1 43 . VAL . 5999 1 44 . TYR . 5999 1 45 . THR . 5999 1 46 . PRO . 5999 1 47 . PRO . 5999 1 48 . GLN . 5999 1 49 . SER . 5999 1 50 . PHE . 5999 1 51 . GLN . 5999 1 52 . SER . 5999 1 53 . ALA . 5999 1 54 . PRO . 5999 1 55 . ARG . 5999 1 56 . VAL . 5999 1 57 . TYR . 5999 1 58 . ARG . 5999 1 59 . VAL . 5999 1 60 . ASN . 5999 1 61 . GLY . 5999 1 62 . LEU . 5999 1 63 . SER . 5999 1 64 . ARG . 5999 1 65 . ALA . 5999 1 66 . PRO . 5999 1 67 . ALA . 5999 1 68 . SER . 5999 1 69 . SER . 5999 1 70 . GLU . 5999 1 71 . THR . 5999 1 72 . PHE . 5999 1 73 . GLU . 5999 1 74 . HIS . 5999 1 75 . ASP . 5999 1 76 . GLY . 5999 1 77 . LYS . 5999 1 78 . LYS . 5999 1 79 . VAL . 5999 1 80 . THR . 5999 1 81 . ILE . 5999 1 82 . ALA . 5999 1 83 . SER . 5999 1 84 . TYR . 5999 1 85 . PHE . 5999 1 86 . HIS . 5999 1 87 . SER . 5999 1 88 . ARG . 5999 1 89 . ASN . 5999 1 90 . TYR . 5999 1 91 . PRO . 5999 1 92 . LEU . 5999 1 93 . LYS . 5999 1 94 . PHE . 5999 1 95 . PRO . 5999 1 96 . GLN . 5999 1 97 . LEU . 5999 1 98 . HIS . 5999 1 99 . CYS . 5999 1 100 . LEU . 5999 1 101 . ASN . 5999 1 102 . VAL . 5999 1 103 . GLY . 5999 1 104 . SER . 5999 1 105 . SER . 5999 1 106 . ILE . 5999 1 107 . LYS . 5999 1 108 . SER . 5999 1 109 . ILE . 5999 1 110 . LEU . 5999 1 111 . LEU . 5999 1 112 . PRO . 5999 1 113 . ILE . 5999 1 114 . GLU . 5999 1 115 . LEU . 5999 1 116 . CYS . 5999 1 117 . SER . 5999 1 118 . ILE . 5999 1 119 . GLU . 5999 1 120 . GLU . 5999 1 121 . GLY . 5999 1 122 . GLN . 5999 1 123 . ALA . 5999 1 124 . LEU . 5999 1 125 . ASN . 5999 1 126 . ARG . 5999 1 127 . LYS . 5999 1 128 . ASP . 5999 1 129 . GLY . 5999 1 130 . ALA . 5999 1 131 . THR . 5999 1 132 . GLN . 5999 1 133 . VAL . 5999 1 134 . ALA . 5999 1 135 . ASN . 5999 1 136 . MET . 5999 1 137 . ILE . 5999 1 138 . LYS . 5999 1 139 . TYR . 5999 1 140 . ALA . 5999 1 141 . ALA . 5999 1 142 . THR . 5999 1 143 . SER . 5999 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5999 1 . ALA 2 2 5999 1 . MET 3 3 5999 1 . ALA 4 4 5999 1 . MET 5 5 5999 1 . PRO 6 6 5999 1 . MET 7 7 5999 1 . ILE 8 8 5999 1 . GLU 9 9 5999 1 . TYR 10 10 5999 1 . LEU 11 11 5999 1 . GLU 12 12 5999 1 . ARG 13 13 5999 1 . PHE 14 14 5999 1 . SER 15 15 5999 1 . LEU 16 16 5999 1 . LYS 17 17 5999 1 . ALA 18 18 5999 1 . LYS 19 19 5999 1 . ILE 20 20 5999 1 . ASN 21 21 5999 1 . ASN 22 22 5999 1 . THR 23 23 5999 1 . THR 24 24 5999 1 . ASN 25 25 5999 1 . LEU 26 26 5999 1 . ASP 27 27 5999 1 . TYR 28 28 5999 1 . SER 29 29 5999 1 . ARG 30 30 5999 1 . ARG 31 31 5999 1 . PHE 32 32 5999 1 . LEU 33 33 5999 1 . GLU 34 34 5999 1 . PRO 35 35 5999 1 . PHE 36 36 5999 1 . LEU 37 37 5999 1 . ARG 38 38 5999 1 . GLY 39 39 5999 1 . ILE 40 40 5999 1 . ASN 41 41 5999 1 . VAL 42 42 5999 1 . VAL 43 43 5999 1 . TYR 44 44 5999 1 . THR 45 45 5999 1 . PRO 46 46 5999 1 . PRO 47 47 5999 1 . GLN 48 48 5999 1 . SER 49 49 5999 1 . PHE 50 50 5999 1 . GLN 51 51 5999 1 . SER 52 52 5999 1 . ALA 53 53 5999 1 . PRO 54 54 5999 1 . ARG 55 55 5999 1 . VAL 56 56 5999 1 . TYR 57 57 5999 1 . ARG 58 58 5999 1 . VAL 59 59 5999 1 . ASN 60 60 5999 1 . GLY 61 61 5999 1 . LEU 62 62 5999 1 . SER 63 63 5999 1 . ARG 64 64 5999 1 . ALA 65 65 5999 1 . PRO 66 66 5999 1 . ALA 67 67 5999 1 . SER 68 68 5999 1 . SER 69 69 5999 1 . GLU 70 70 5999 1 . THR 71 71 5999 1 . PHE 72 72 5999 1 . GLU 73 73 5999 1 . HIS 74 74 5999 1 . ASP 75 75 5999 1 . GLY 76 76 5999 1 . LYS 77 77 5999 1 . LYS 78 78 5999 1 . VAL 79 79 5999 1 . THR 80 80 5999 1 . ILE 81 81 5999 1 . ALA 82 82 5999 1 . SER 83 83 5999 1 . TYR 84 84 5999 1 . PHE 85 85 5999 1 . HIS 86 86 5999 1 . SER 87 87 5999 1 . ARG 88 88 5999 1 . ASN 89 89 5999 1 . TYR 90 90 5999 1 . PRO 91 91 5999 1 . LEU 92 92 5999 1 . LYS 93 93 5999 1 . PHE 94 94 5999 1 . PRO 95 95 5999 1 . GLN 96 96 5999 1 . LEU 97 97 5999 1 . HIS 98 98 5999 1 . CYS 99 99 5999 1 . LEU 100 100 5999 1 . ASN 101 101 5999 1 . VAL 102 102 5999 1 . GLY 103 103 5999 1 . SER 104 104 5999 1 . SER 105 105 5999 1 . ILE 106 106 5999 1 . LYS 107 107 5999 1 . SER 108 108 5999 1 . ILE 109 109 5999 1 . LEU 110 110 5999 1 . LEU 111 111 5999 1 . PRO 112 112 5999 1 . ILE 113 113 5999 1 . GLU 114 114 5999 1 . LEU 115 115 5999 1 . CYS 116 116 5999 1 . SER 117 117 5999 1 . ILE 118 118 5999 1 . GLU 119 119 5999 1 . GLU 120 120 5999 1 . GLY 121 121 5999 1 . GLN 122 122 5999 1 . ALA 123 123 5999 1 . LEU 124 124 5999 1 . ASN 125 125 5999 1 . ARG 126 126 5999 1 . LYS 127 127 5999 1 . ASP 128 128 5999 1 . GLY 129 129 5999 1 . ALA 130 130 5999 1 . THR 131 131 5999 1 . GLN 132 132 5999 1 . VAL 133 133 5999 1 . ALA 134 134 5999 1 . ASN 135 135 5999 1 . MET 136 136 5999 1 . ILE 137 137 5999 1 . LYS 138 138 5999 1 . TYR 139 139 5999 1 . ALA 140 140 5999 1 . ALA 141 141 5999 1 . THR 142 142 5999 1 . SER 143 143 5999 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5999 _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 $Ago2_PAZ . 7227 . . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 5999 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 5999 _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 $Ago2_PAZ . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5999 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Argonaute 2 PAZ domain' '[U-100% 13C; U-100% 15N]' . . 1 $Ago2_PAZ . . . 1.0 1.5 mM . . . . 5999 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5999 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 n/a 5999 1 temperature 295 0.5 K 5999 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5999 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 5999 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 5999 _Software.ID 2 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure Calculation' 5999 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5999 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with crygenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5999 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with crygenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5999 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5999 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5999 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 'Equipped with crygenic probe' . . 5999 1 2 NMR_spectrometer_2 Bruker DRX . 600 'Equipped with crygenic probe' . . 5999 1 3 NMR_spectrometer_3 Bruker DRX . 700 . . . 5999 1 4 NMR_spectrometer_4 Bruker DRX . 900 . . . 5999 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 5999 _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 '1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 2 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 3 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 4 (H)C-HMQC-NOESY-1H-15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 5 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 6 H(CCCO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 7 (H)C(CCCO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 8 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 9 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 10 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 11 HNHA-J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 12 '15N T1, T2, hetNOE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5999 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name (H)C-HMQC-NOESY-1H-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CCCO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (H)C(CCCO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNHA-J _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5999 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '15N T1, T2, hetNOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5999 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.79 internal direct 1.0 internal cylindrical parallel . . 'temperature, salt, pH' . . . 5999 1 C 13 H2O protons . . . . ppm 4.79 external indirect 0.251449530 . . . . . . . . . 5999 1 N 15 H2O protons . . . . ppm 4.79 external indirect 0.101329118 . . . . . . . . . 5999 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5999 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5999 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 ALA CA C 13 52.500 . . 1 . . . . . . . . 5999 1 2 . 1 1 2 2 ALA HA H 1 4.280 . . 1 . . . . . . . . 5999 1 3 . 1 1 2 2 ALA CB C 13 19.896 . . 1 . . . . . . . . 5999 1 4 . 1 1 2 2 ALA HB1 H 1 1.312 . . 1 . . . . . . . . 5999 1 5 . 1 1 2 2 ALA HB2 H 1 1.312 . . 1 . . . . . . . . 5999 1 6 . 1 1 2 2 ALA HB3 H 1 1.312 . . 1 . . . . . . . . 5999 1 7 . 1 1 3 3 MET N N 15 119.583 . . 1 . . . . . . . . 5999 1 8 . 1 1 3 3 MET H H 1 8.488 . . 1 . . . . . . . . 5999 1 9 . 1 1 3 3 MET CA C 13 55.200 . . 1 . . . . . . . . 5999 1 10 . 1 1 3 3 MET HA H 1 4.423 . . 1 . . . . . . . . 5999 1 11 . 1 1 3 3 MET CB C 13 33.340 . . 1 . . . . . . . . 5999 1 12 . 1 1 3 3 MET HB3 H 1 2.049 . . 2 . . . . . . . . 5999 1 13 . 1 1 3 3 MET HB2 H 1 1.950 . . 2 . . . . . . . . 5999 1 14 . 1 1 3 3 MET CG C 13 32.260 . . 1 . . . . . . . . 5999 1 15 . 1 1 3 3 MET HG3 H 1 2.486 . . 2 . . . . . . . . 5999 1 16 . 1 1 3 3 MET HG2 H 1 2.551 . . 2 . . . . . . . . 5999 1 17 . 1 1 3 3 MET CE C 13 17.162 . . 1 . . . . . . . . 5999 1 18 . 1 1 3 3 MET HE1 H 1 2.019 . . 1 . . . . . . . . 5999 1 19 . 1 1 3 3 MET HE2 H 1 2.019 . . 1 . . . . . . . . 5999 1 20 . 1 1 3 3 MET HE3 H 1 2.019 . . 1 . . . . . . . . 5999 1 21 . 1 1 4 4 ALA N N 15 125.055 . . 1 . . . . . . . . 5999 1 22 . 1 1 4 4 ALA H H 1 8.205 . . 1 . . . . . . . . 5999 1 23 . 1 1 4 4 ALA CA C 13 51.881 . . 1 . . . . . . . . 5999 1 24 . 1 1 4 4 ALA HA H 1 4.474 . . 1 . . . . . . . . 5999 1 25 . 1 1 4 4 ALA CB C 13 20.184 . . 1 . . . . . . . . 5999 1 26 . 1 1 4 4 ALA HB1 H 1 1.180 . . 1 . . . . . . . . 5999 1 27 . 1 1 4 4 ALA HB2 H 1 1.180 . . 1 . . . . . . . . 5999 1 28 . 1 1 4 4 ALA HB3 H 1 1.180 . . 1 . . . . . . . . 5999 1 29 . 1 1 5 5 MET N N 15 122.200 . . 1 . . . . . . . . 5999 1 30 . 1 1 5 5 MET H H 1 8.481 . . 1 . . . . . . . . 5999 1 31 . 1 1 5 5 MET CA C 13 53.265 . . 1 . . . . . . . . 5999 1 32 . 1 1 5 5 MET HA H 1 4.831 . . 1 . . . . . . . . 5999 1 33 . 1 1 5 5 MET CB C 13 35.760 . . 1 . . . . . . . . 5999 1 34 . 1 1 5 5 MET HB3 H 1 2.009 . . 2 . . . . . . . . 5999 1 35 . 1 1 5 5 MET HB2 H 1 2.140 . . 2 . . . . . . . . 5999 1 36 . 1 1 5 5 MET CG C 13 31.180 . . 1 . . . . . . . . 5999 1 37 . 1 1 5 5 MET HG3 H 1 2.542 . . 2 . . . . . . . . 5999 1 38 . 1 1 5 5 MET HG2 H 1 2.721 . . 2 . . . . . . . . 5999 1 39 . 1 1 5 5 MET CE C 13 17.162 . . 1 . . . . . . . . 5999 1 40 . 1 1 5 5 MET HE1 H 1 2.146 . . 1 . . . . . . . . 5999 1 41 . 1 1 5 5 MET HE2 H 1 2.146 . . 1 . . . . . . . . 5999 1 42 . 1 1 5 5 MET HE3 H 1 2.146 . . 1 . . . . . . . . 5999 1 43 . 1 1 6 6 PRO CA C 13 63.810 . . 1 . . . . . . . . 5999 1 44 . 1 1 6 6 PRO HA H 1 4.422 . . 1 . . . . . . . . 5999 1 45 . 1 1 6 6 PRO CB C 13 33.340 . . 1 . . . . . . . . 5999 1 46 . 1 1 6 6 PRO HB3 H 1 2.677 . . 2 . . . . . . . . 5999 1 47 . 1 1 6 6 PRO HB2 H 1 1.870 . . 2 . . . . . . . . 5999 1 48 . 1 1 6 6 PRO CG C 13 28.480 . . 1 . . . . . . . . 5999 1 49 . 1 1 6 6 PRO HG3 H 1 1.990 . . 2 . . . . . . . . 5999 1 50 . 1 1 6 6 PRO HG2 H 1 2.205 . . 2 . . . . . . . . 5999 1 51 . 1 1 6 6 PRO CD C 13 51.680 . . 1 . . . . . . . . 5999 1 52 . 1 1 6 6 PRO HD3 H 1 4.019 . . 2 . . . . . . . . 5999 1 53 . 1 1 6 6 PRO HD2 H 1 3.760 . . 2 . . . . . . . . 5999 1 54 . 1 1 7 7 MET N N 15 125.531 . . 1 . . . . . . . . 5999 1 55 . 1 1 7 7 MET H H 1 9.130 . . 1 . . . . . . . . 5999 1 56 . 1 1 7 7 MET CA C 13 57.396 . . 1 . . . . . . . . 5999 1 57 . 1 1 7 7 MET HA H 1 4.415 . . 1 . . . . . . . . 5999 1 58 . 1 1 7 7 MET CB C 13 31.450 . . 1 . . . . . . . . 5999 1 59 . 1 1 7 7 MET HB3 H 1 1.850 . . 2 . . . . . . . . 5999 1 60 . 1 1 7 7 MET HB2 H 1 1.980 . . 2 . . . . . . . . 5999 1 61 . 1 1 7 7 MET CG C 13 34.420 . . 1 . . . . . . . . 5999 1 62 . 1 1 7 7 MET HG3 H 1 2.192 . . 2 . . . . . . . . 5999 1 63 . 1 1 7 7 MET HG2 H 1 2.340 . . 2 . . . . . . . . 5999 1 64 . 1 1 7 7 MET CE C 13 17.702 . . 1 . . . . . . . . 5999 1 65 . 1 1 7 7 MET HE1 H 1 1.794 . . 1 . . . . . . . . 5999 1 66 . 1 1 7 7 MET HE2 H 1 1.794 . . 1 . . . . . . . . 5999 1 67 . 1 1 7 7 MET HE3 H 1 1.794 . . 1 . . . . . . . . 5999 1 68 . 1 1 8 8 ILE N N 15 119.107 . . 1 . . . . . . . . 5999 1 69 . 1 1 8 8 ILE H H 1 9.072 . . 1 . . . . . . . . 5999 1 70 . 1 1 8 8 ILE CA C 13 64.823 . . 1 . . . . . . . . 5999 1 71 . 1 1 8 8 ILE HA H 1 3.469 . . 1 . . . . . . . . 5999 1 72 . 1 1 8 8 ILE CB C 13 36.822 . . 1 . . . . . . . . 5999 1 73 . 1 1 8 8 ILE HB H 1 1.822 . . 1 . . . . . . . . 5999 1 74 . 1 1 8 8 ILE CG1 C 13 28.901 . . 1 . . . . . . . . 5999 1 75 . 1 1 8 8 ILE HG13 H 1 1.179 . . 2 . . . . . . . . 5999 1 76 . 1 1 8 8 ILE HG12 H 1 1.600 . . 2 . . . . . . . . 5999 1 77 . 1 1 8 8 ILE CD1 C 13 11.996 . . 1 . . . . . . . . 5999 1 78 . 1 1 8 8 ILE HD11 H 1 0.535 . . 1 . . . . . . . . 5999 1 79 . 1 1 8 8 ILE HD12 H 1 0.535 . . 1 . . . . . . . . 5999 1 80 . 1 1 8 8 ILE HD13 H 1 0.535 . . 1 . . . . . . . . 5999 1 81 . 1 1 8 8 ILE CG2 C 13 16.751 . . 1 . . . . . . . . 5999 1 82 . 1 1 8 8 ILE HG21 H 1 0.715 . . 1 . . . . . . . . 5999 1 83 . 1 1 8 8 ILE HG22 H 1 0.715 . . 1 . . . . . . . . 5999 1 84 . 1 1 8 8 ILE HG23 H 1 0.715 . . 1 . . . . . . . . 5999 1 85 . 1 1 9 9 GLU N N 15 118.155 . . 1 . . . . . . . . 5999 1 86 . 1 1 9 9 GLU H H 1 6.418 . . 1 . . . . . . . . 5999 1 87 . 1 1 9 9 GLU CA C 13 58.928 . . 1 . . . . . . . . 5999 1 88 . 1 1 9 9 GLU HA H 1 4.137 . . 1 . . . . . . . . 5999 1 89 . 1 1 9 9 GLU CB C 13 30.106 . . 1 . . . . . . . . 5999 1 90 . 1 1 9 9 GLU HB2 H 1 2.060 . . 1 . . . . . . . . 5999 1 91 . 1 1 9 9 GLU CG C 13 36.578 . . 1 . . . . . . . . 5999 1 92 . 1 1 9 9 GLU HG2 H 1 2.298 . . 1 . . . . . . . . 5999 1 93 . 1 1 10 10 TYR N N 15 120.059 . . 1 . . . . . . . . 5999 1 94 . 1 1 10 10 TYR H H 1 8.272 . . 1 . . . . . . . . 5999 1 95 . 1 1 10 10 TYR CA C 13 62.190 . . 1 . . . . . . . . 5999 1 96 . 1 1 10 10 TYR HA H 1 4.295 . . 1 . . . . . . . . 5999 1 97 . 1 1 10 10 TYR CB C 13 39.810 . . 1 . . . . . . . . 5999 1 98 . 1 1 10 10 TYR HB3 H 1 2.965 . . 2 . . . . . . . . 5999 1 99 . 1 1 10 10 TYR HB2 H 1 3.285 . . 2 . . . . . . . . 5999 1 100 . 1 1 10 10 TYR CD1 C 13 134.030 . . 1 . . . . . . . . 5999 1 101 . 1 1 10 10 TYR HD1 H 1 7.087 . . 1 . . . . . . . . 5999 1 102 . 1 1 10 10 TYR CE1 C 13 119.100 . . 1 . . . . . . . . 5999 1 103 . 1 1 10 10 TYR HE1 H 1 6.387 . . 1 . . . . . . . . 5999 1 104 . 1 1 11 11 LEU N N 15 116.728 . . 1 . . . . . . . . 5999 1 105 . 1 1 11 11 LEU H H 1 8.547 . . 1 . . . . . . . . 5999 1 106 . 1 1 11 11 LEU CA C 13 58.420 . . 1 . . . . . . . . 5999 1 107 . 1 1 11 11 LEU HA H 1 3.876 . . 1 . . . . . . . . 5999 1 108 . 1 1 11 11 LEU CB C 13 42.240 . . 1 . . . . . . . . 5999 1 109 . 1 1 11 11 LEU HB3 H 1 1.195 . . 2 . . . . . . . . 5999 1 110 . 1 1 11 11 LEU HB2 H 1 2.122 . . 2 . . . . . . . . 5999 1 111 . 1 1 11 11 LEU CG C 13 27.578 . . 1 . . . . . . . . 5999 1 112 . 1 1 11 11 LEU HG H 1 2.151 . . 1 . . . . . . . . 5999 1 113 . 1 1 11 11 LEU CD2 C 13 23.900 . . 1 . . . . . . . . 5999 1 114 . 1 1 11 11 LEU HD21 H 1 0.931 . . 1 . . . . . . . . 5999 1 115 . 1 1 11 11 LEU HD22 H 1 0.931 . . 1 . . . . . . . . 5999 1 116 . 1 1 11 11 LEU HD23 H 1 0.931 . . 1 . . . . . . . . 5999 1 117 . 1 1 11 11 LEU CD1 C 13 25.995 . . 1 . . . . . . . . 5999 1 118 . 1 1 11 11 LEU HD11 H 1 0.862 . . 1 . . . . . . . . 5999 1 119 . 1 1 11 11 LEU HD12 H 1 0.862 . . 1 . . . . . . . . 5999 1 120 . 1 1 11 11 LEU HD13 H 1 0.862 . . 1 . . . . . . . . 5999 1 121 . 1 1 12 12 GLU N N 15 120.059 . . 1 . . . . . . . . 5999 1 122 . 1 1 12 12 GLU H H 1 8.478 . . 1 . . . . . . . . 5999 1 123 . 1 1 12 12 GLU CA C 13 60.255 . . 1 . . . . . . . . 5999 1 124 . 1 1 12 12 GLU HA H 1 3.920 . . 1 . . . . . . . . 5999 1 125 . 1 1 12 12 GLU CB C 13 30.640 . . 1 . . . . . . . . 5999 1 126 . 1 1 12 12 GLU HB3 H 1 1.590 . . 2 . . . . . . . . 5999 1 127 . 1 1 12 12 GLU HB2 H 1 2.273 . . 2 . . . . . . . . 5999 1 128 . 1 1 12 12 GLU CG C 13 36.448 . . 1 . . . . . . . . 5999 1 129 . 1 1 12 12 GLU HG3 H 1 2.540 . . 2 . . . . . . . . 5999 1 130 . 1 1 12 12 GLU HG2 H 1 2.680 . . 2 . . . . . . . . 5999 1 131 . 1 1 13 13 ARG N N 15 114.825 . . 1 . . . . . . . . 5999 1 132 . 1 1 13 13 ARG H H 1 8.362 . . 1 . . . . . . . . 5999 1 133 . 1 1 13 13 ARG CA C 13 58.960 . . 1 . . . . . . . . 5999 1 134 . 1 1 13 13 ARG HA H 1 3.675 . . 1 . . . . . . . . 5999 1 135 . 1 1 13 13 ARG CB C 13 31.313 . . 1 . . . . . . . . 5999 1 136 . 1 1 13 13 ARG HB3 H 1 0.816 . . 2 . . . . . . . . 5999 1 137 . 1 1 13 13 ARG HB2 H 1 1.139 . . 2 . . . . . . . . 5999 1 138 . 1 1 13 13 ARG CG C 13 27.670 . . 1 . . . . . . . . 5999 1 139 . 1 1 13 13 ARG HG3 H 1 1.510 . . 2 . . . . . . . . 5999 1 140 . 1 1 13 13 ARG HG2 H 1 0.984 . . 2 . . . . . . . . 5999 1 141 . 1 1 13 13 ARG CD C 13 44.130 . . 1 . . . . . . . . 5999 1 142 . 1 1 13 13 ARG HD3 H 1 2.880 . . 2 . . . . . . . . 5999 1 143 . 1 1 13 13 ARG HD2 H 1 2.748 . . 2 . . . . . . . . 5999 1 144 . 1 1 14 14 PHE N N 15 111.494 . . 1 . . . . . . . . 5999 1 145 . 1 1 14 14 PHE H H 1 7.759 . . 1 . . . . . . . . 5999 1 146 . 1 1 14 14 PHE CA C 13 58.740 . . 1 . . . . . . . . 5999 1 147 . 1 1 14 14 PHE HA H 1 4.531 . . 1 . . . . . . . . 5999 1 148 . 1 1 14 14 PHE CB C 13 39.767 . . 1 . . . . . . . . 5999 1 149 . 1 1 14 14 PHE HB3 H 1 2.295 . . 2 . . . . . . . . 5999 1 150 . 1 1 14 14 PHE HB2 H 1 2.968 . . 2 . . . . . . . . 5999 1 151 . 1 1 14 14 PHE CD1 C 13 133.219 . . 1 . . . . . . . . 5999 1 152 . 1 1 14 14 PHE HD1 H 1 7.024 . . 1 . . . . . . . . 5999 1 153 . 1 1 14 14 PHE HE1 H 1 7.164 . . 1 . . . . . . . . 5999 1 154 . 1 1 15 15 SER N N 15 110.780 . . 1 . . . . . . . . 5999 1 155 . 1 1 15 15 SER H H 1 7.162 . . 1 . . . . . . . . 5999 1 156 . 1 1 15 15 SER CA C 13 59.730 . . 1 . . . . . . . . 5999 1 157 . 1 1 15 15 SER HA H 1 4.227 . . 1 . . . . . . . . 5999 1 158 . 1 1 15 15 SER CB C 13 64.890 . . 1 . . . . . . . . 5999 1 159 . 1 1 15 15 SER HB3 H 1 2.705 . . 2 . . . . . . . . 5999 1 160 . 1 1 15 15 SER HB2 H 1 3.201 . . 2 . . . . . . . . 5999 1 161 . 1 1 16 16 LEU N N 15 117.918 . . 1 . . . . . . . . 5999 1 162 . 1 1 16 16 LEU H H 1 8.574 . . 1 . . . . . . . . 5999 1 163 . 1 1 16 16 LEU CA C 13 56.800 . . 1 . . . . . . . . 5999 1 164 . 1 1 16 16 LEU HA H 1 3.989 . . 1 . . . . . . . . 5999 1 165 . 1 1 16 16 LEU CB C 13 42.780 . . 1 . . . . . . . . 5999 1 166 . 1 1 16 16 LEU HB3 H 1 1.580 . . 2 . . . . . . . . 5999 1 167 . 1 1 16 16 LEU HB2 H 1 1.436 . . 2 . . . . . . . . 5999 1 168 . 1 1 16 16 LEU CG C 13 27.940 . . 1 . . . . . . . . 5999 1 169 . 1 1 16 16 LEU HG H 1 1.490 . . 1 . . . . . . . . 5999 1 170 . 1 1 16 16 LEU CD1 C 13 23.090 . . 2 . . . . . . . . 5999 1 171 . 1 1 16 16 LEU HD11 H 1 0.758 . . 2 . . . . . . . . 5999 1 172 . 1 1 16 16 LEU HD12 H 1 0.758 . . 2 . . . . . . . . 5999 1 173 . 1 1 16 16 LEU HD13 H 1 0.758 . . 2 . . . . . . . . 5999 1 174 . 1 1 16 16 LEU CD2 C 13 26.060 . . 2 . . . . . . . . 5999 1 175 . 1 1 16 16 LEU HD21 H 1 0.720 . . 2 . . . . . . . . 5999 1 176 . 1 1 16 16 LEU HD22 H 1 0.720 . . 2 . . . . . . . . 5999 1 177 . 1 1 16 16 LEU HD23 H 1 0.720 . . 2 . . . . . . . . 5999 1 178 . 1 1 17 17 LYS N N 15 112.360 . . 1 . . . . . . . . 5999 1 179 . 1 1 17 17 LYS H H 1 7.371 . . 1 . . . . . . . . 5999 1 180 . 1 1 17 17 LYS CA C 13 56.800 . . 1 . . . . . . . . 5999 1 181 . 1 1 17 17 LYS HA H 1 3.820 . . 1 . . . . . . . . 5999 1 182 . 1 1 17 17 LYS CB C 13 28.900 . . 1 . . . . . . . . 5999 1 183 . 1 1 17 17 LYS HB3 H 1 1.687 . . 2 . . . . . . . . 5999 1 184 . 1 1 17 17 LYS HB2 H 1 1.780 . . 2 . . . . . . . . 5999 1 185 . 1 1 17 17 LYS CG C 13 24.980 . . 1 . . . . . . . . 5999 1 186 . 1 1 17 17 LYS HG2 H 1 0.984 . . 1 . . . . . . . . 5999 1 187 . 1 1 17 17 LYS CD C 13 29.020 . . 1 . . . . . . . . 5999 1 188 . 1 1 17 17 LYS HD2 H 1 1.380 . . 1 . . . . . . . . 5999 1 189 . 1 1 17 17 LYS CE C 13 42.240 . . 1 . . . . . . . . 5999 1 190 . 1 1 17 17 LYS HE3 H 1 2.680 . . 2 . . . . . . . . 5999 1 191 . 1 1 17 17 LYS HE2 H 1 2.730 . . 2 . . . . . . . . 5999 1 192 . 1 1 18 18 ALA N N 15 118.393 . . 1 . . . . . . . . 5999 1 193 . 1 1 18 18 ALA H H 1 7.422 . . 1 . . . . . . . . 5999 1 194 . 1 1 18 18 ALA CA C 13 51.140 . . 1 . . . . . . . . 5999 1 195 . 1 1 18 18 ALA HA H 1 4.200 . . 1 . . . . . . . . 5999 1 196 . 1 1 18 18 ALA CB C 13 22.010 . . 1 . . . . . . . . 5999 1 197 . 1 1 18 18 ALA HB1 H 1 1.106 . . 1 . . . . . . . . 5999 1 198 . 1 1 18 18 ALA HB2 H 1 1.106 . . 1 . . . . . . . . 5999 1 199 . 1 1 18 18 ALA HB3 H 1 1.106 . . 1 . . . . . . . . 5999 1 200 . 1 1 19 19 LYS N N 15 116.490 . . 1 . . . . . . . . 5999 1 201 . 1 1 19 19 LYS H H 1 7.857 . . 1 . . . . . . . . 5999 1 202 . 1 1 19 19 LYS CA C 13 55.356 . . 1 . . . . . . . . 5999 1 203 . 1 1 19 19 LYS HA H 1 3.988 . . 1 . . . . . . . . 5999 1 204 . 1 1 19 19 LYS CB C 13 31.972 . . 1 . . . . . . . . 5999 1 205 . 1 1 19 19 LYS HB3 H 1 1.335 . . 2 . . . . . . . . 5999 1 206 . 1 1 19 19 LYS HB2 H 1 1.540 . . 2 . . . . . . . . 5999 1 207 . 1 1 19 19 LYS CG C 13 24.177 . . 1 . . . . . . . . 5999 1 208 . 1 1 19 19 LYS HG2 H 1 1.944 . . 1 . . . . . . . . 5999 1 209 . 1 1 19 19 LYS CD C 13 27.910 . . 1 . . . . . . . . 5999 1 210 . 1 1 19 19 LYS HE2 H 1 2.890 . . 1 . . . . . . . . 5999 1 211 . 1 1 20 20 ILE N N 15 126.960 . . 1 . . . . . . . . 5999 1 212 . 1 1 20 20 ILE H H 1 10.079 . . 1 . . . . . . . . 5999 1 213 . 1 1 20 20 ILE CA C 13 61.800 . . 1 . . . . . . . . 5999 1 214 . 1 1 20 20 ILE HA H 1 3.860 . . 1 . . . . . . . . 5999 1 215 . 1 1 20 20 ILE CB C 13 37.500 . . 1 . . . . . . . . 5999 1 216 . 1 1 20 20 ILE HB H 1 1.501 . . 1 . . . . . . . . 5999 1 217 . 1 1 20 20 ILE CG1 C 13 30.222 . . 1 . . . . . . . . 5999 1 218 . 1 1 20 20 ILE HG13 H 1 0.786 . . 2 . . . . . . . . 5999 1 219 . 1 1 20 20 ILE HG12 H 1 1.670 . . 2 . . . . . . . . 5999 1 220 . 1 1 20 20 ILE CD1 C 13 17.700 . . 1 . . . . . . . . 5999 1 221 . 1 1 20 20 ILE HD11 H 1 0.280 . . 1 . . . . . . . . 5999 1 222 . 1 1 20 20 ILE HD12 H 1 0.280 . . 1 . . . . . . . . 5999 1 223 . 1 1 20 20 ILE HD13 H 1 0.280 . . 1 . . . . . . . . 5999 1 224 . 1 1 20 20 ILE CG2 C 13 13.840 . . 1 . . . . . . . . 5999 1 225 . 1 1 20 20 ILE HG21 H 1 0.780 . . 1 . . . . . . . . 5999 1 226 . 1 1 20 20 ILE HG22 H 1 0.780 . . 1 . . . . . . . . 5999 1 227 . 1 1 20 20 ILE HG23 H 1 0.780 . . 1 . . . . . . . . 5999 1 228 . 1 1 21 21 ASN N N 15 125.293 . . 1 . . . . . . . . 5999 1 229 . 1 1 21 21 ASN H H 1 8.967 . . 1 . . . . . . . . 5999 1 230 . 1 1 21 21 ASN CA C 13 52.210 . . 1 . . . . . . . . 5999 1 231 . 1 1 21 21 ASN HA H 1 4.840 . . 1 . . . . . . . . 5999 1 232 . 1 1 21 21 ASN CB C 13 40.350 . . 1 . . . . . . . . 5999 1 233 . 1 1 21 21 ASN HB3 H 1 2.705 . . 2 . . . . . . . . 5999 1 234 . 1 1 21 21 ASN HB2 H 1 3.214 . . 2 . . . . . . . . 5999 1 235 . 1 1 22 22 ASN N N 15 114.825 . . 1 . . . . . . . . 5999 1 236 . 1 1 22 22 ASN H H 1 8.612 . . 1 . . . . . . . . 5999 1 237 . 1 1 22 22 ASN CA C 13 56.100 . . 1 . . . . . . . . 5999 1 238 . 1 1 22 22 ASN HA H 1 4.560 . . 1 . . . . . . . . 5999 1 239 . 1 1 22 22 ASN CB C 13 38.190 . . 1 . . . . . . . . 5999 1 240 . 1 1 22 22 ASN HB3 H 1 3.000 . . 2 . . . . . . . . 5999 1 241 . 1 1 22 22 ASN HB2 H 1 2.910 . . 2 . . . . . . . . 5999 1 242 . 1 1 23 23 THR N N 15 107.780 . . 1 . . . . . . . . 5999 1 243 . 1 1 23 23 THR H H 1 8.592 . . 1 . . . . . . . . 5999 1 244 . 1 1 23 23 THR CA C 13 61.650 . . 1 . . . . . . . . 5999 1 245 . 1 1 23 23 THR HA H 1 4.445 . . 1 . . . . . . . . 5999 1 246 . 1 1 23 23 THR CB C 13 70.280 . . 1 . . . . . . . . 5999 1 247 . 1 1 23 23 THR HB H 1 4.350 . . 1 . . . . . . . . 5999 1 248 . 1 1 23 23 THR CG2 C 13 21.740 . . 1 . . . . . . . . 5999 1 249 . 1 1 23 23 THR HG21 H 1 1.085 . . 1 . . . . . . . . 5999 1 250 . 1 1 23 23 THR HG22 H 1 1.085 . . 1 . . . . . . . . 5999 1 251 . 1 1 23 23 THR HG23 H 1 1.085 . . 1 . . . . . . . . 5999 1 252 . 1 1 24 24 THR N N 15 122.200 . . 1 . . . . . . . . 5999 1 253 . 1 1 24 24 THR H H 1 7.497 . . 1 . . . . . . . . 5999 1 254 . 1 1 24 24 THR CA C 13 65.970 . . 1 . . . . . . . . 5999 1 255 . 1 1 24 24 THR HA H 1 3.779 . . 1 . . . . . . . . 5999 1 256 . 1 1 24 24 THR CB C 13 69.470 . . 1 . . . . . . . . 5999 1 257 . 1 1 24 24 THR HB H 1 3.716 . . 1 . . . . . . . . 5999 1 258 . 1 1 24 24 THR CG2 C 13 22.280 . . 1 . . . . . . . . 5999 1 259 . 1 1 24 24 THR HG21 H 1 1.030 . . 1 . . . . . . . . 5999 1 260 . 1 1 24 24 THR HG22 H 1 1.030 . . 1 . . . . . . . . 5999 1 261 . 1 1 24 24 THR HG23 H 1 1.030 . . 1 . . . . . . . . 5999 1 262 . 1 1 25 25 ASN N N 15 123.628 . . 1 . . . . . . . . 5999 1 263 . 1 1 25 25 ASN H H 1 8.662 . . 1 . . . . . . . . 5999 1 264 . 1 1 25 25 ASN CA C 13 51.140 . . 1 . . . . . . . . 5999 1 265 . 1 1 25 25 ASN HA H 1 5.102 . . 1 . . . . . . . . 5999 1 266 . 1 1 25 25 ASN CB C 13 39.202 . . 1 . . . . . . . . 5999 1 267 . 1 1 25 25 ASN HB3 H 1 2.643 . . 2 . . . . . . . . 5999 1 268 . 1 1 25 25 ASN HB2 H 1 2.909 . . 2 . . . . . . . . 5999 1 269 . 1 1 26 26 LEU N N 15 124.103 . . 1 . . . . . . . . 5999 1 270 . 1 1 26 26 LEU H H 1 10.180 . . 1 . . . . . . . . 5999 1 271 . 1 1 26 26 LEU CA C 13 56.260 . . 1 . . . . . . . . 5999 1 272 . 1 1 26 26 LEU HA H 1 3.998 . . 1 . . . . . . . . 5999 1 273 . 1 1 26 26 LEU CB C 13 40.600 . . 1 . . . . . . . . 5999 1 274 . 1 1 26 26 LEU HB3 H 1 1.187 . . 2 . . . . . . . . 5999 1 275 . 1 1 26 26 LEU HB2 H 1 1.648 . . 2 . . . . . . . . 5999 1 276 . 1 1 26 26 LEU CG C 13 28.370 . . 1 . . . . . . . . 5999 1 277 . 1 1 26 26 LEU HG H 1 1.503 . . 1 . . . . . . . . 5999 1 278 . 1 1 26 26 LEU CD1 C 13 26.600 . . 1 . . . . . . . . 5999 1 279 . 1 1 26 26 LEU HD11 H 1 0.780 . . 2 . . . . . . . . 5999 1 280 . 1 1 26 26 LEU HD12 H 1 0.780 . . 2 . . . . . . . . 5999 1 281 . 1 1 26 26 LEU HD13 H 1 0.780 . . 2 . . . . . . . . 5999 1 282 . 1 1 26 26 LEU CD2 C 13 22.033 . . 2 . . . . . . . . 5999 1 283 . 1 1 26 26 LEU HD21 H 1 0.620 . . 2 . . . . . . . . 5999 1 284 . 1 1 26 26 LEU HD22 H 1 0.620 . . 2 . . . . . . . . 5999 1 285 . 1 1 26 26 LEU HD23 H 1 0.620 . . 2 . . . . . . . . 5999 1 286 . 1 1 27 27 ASP N N 15 118.785 . . 1 . . . . . . . . 5999 1 287 . 1 1 27 27 ASP H H 1 8.371 . . 1 . . . . . . . . 5999 1 288 . 1 1 27 27 ASP CA C 13 58.220 . . 1 . . . . . . . . 5999 1 289 . 1 1 27 27 ASP HA H 1 4.030 . . 1 . . . . . . . . 5999 1 290 . 1 1 27 27 ASP CB C 13 40.787 . . 1 . . . . . . . . 5999 1 291 . 1 1 27 27 ASP HB3 H 1 2.353 . . 2 . . . . . . . . 5999 1 292 . 1 1 27 27 ASP HB2 H 1 2.500 . . 2 . . . . . . . . 5999 1 293 . 1 1 28 28 TYR N N 15 115.063 . . 1 . . . . . . . . 5999 1 294 . 1 1 28 28 TYR H H 1 7.235 . . 1 . . . . . . . . 5999 1 295 . 1 1 28 28 TYR CA C 13 59.230 . . 1 . . . . . . . . 5999 1 296 . 1 1 28 28 TYR HA H 1 4.420 . . 1 . . . . . . . . 5999 1 297 . 1 1 28 28 TYR CB C 13 37.380 . . 1 . . . . . . . . 5999 1 298 . 1 1 28 28 TYR HB3 H 1 3.001 . . 2 . . . . . . . . 5999 1 299 . 1 1 28 28 TYR HB2 H 1 3.243 . . 2 . . . . . . . . 5999 1 300 . 1 1 28 28 TYR CD1 C 13 133.502 . . 1 . . . . . . . . 5999 1 301 . 1 1 28 28 TYR HD1 H 1 7.180 . . 1 . . . . . . . . 5999 1 302 . 1 1 28 28 TYR CE1 C 13 119.383 . . 1 . . . . . . . . 5999 1 303 . 1 1 28 28 TYR HE1 H 1 6.874 . . 1 . . . . . . . . 5999 1 304 . 1 1 29 29 SER N N 15 111.880 . . 1 . . . . . . . . 5999 1 305 . 1 1 29 29 SER H H 1 7.359 . . 1 . . . . . . . . 5999 1 306 . 1 1 29 29 SER CA C 13 57.880 . . 1 . . . . . . . . 5999 1 307 . 1 1 29 29 SER HA H 1 4.460 . . 1 . . . . . . . . 5999 1 308 . 1 1 29 29 SER CB C 13 64.080 . . 1 . . . . . . . . 5999 1 309 . 1 1 29 29 SER HB3 H 1 3.356 . . 2 . . . . . . . . 5999 1 310 . 1 1 29 29 SER HB2 H 1 3.694 . . 2 . . . . . . . . 5999 1 311 . 1 1 30 30 ARG N N 15 123.780 . . 1 . . . . . . . . 5999 1 312 . 1 1 30 30 ARG H H 1 7.364 . . 1 . . . . . . . . 5999 1 313 . 1 1 30 30 ARG CA C 13 61.125 . . 1 . . . . . . . . 5999 1 314 . 1 1 30 30 ARG HA H 1 3.368 . . 1 . . . . . . . . 5999 1 315 . 1 1 30 30 ARG CB C 13 31.180 . . 1 . . . . . . . . 5999 1 316 . 1 1 30 30 ARG HB3 H 1 1.820 . . 2 . . . . . . . . 5999 1 317 . 1 1 30 30 ARG HB2 H 1 1.620 . . 2 . . . . . . . . 5999 1 318 . 1 1 30 30 ARG CG C 13 28.480 . . 1 . . . . . . . . 5999 1 319 . 1 1 30 30 ARG HG3 H 1 1.277 . . 2 . . . . . . . . 5999 1 320 . 1 1 30 30 ARG HG2 H 1 1.440 . . 2 . . . . . . . . 5999 1 321 . 1 1 30 30 ARG CD C 13 43.320 . . 1 . . . . . . . . 5999 1 322 . 1 1 30 30 ARG HD3 H 1 3.010 . . 2 . . . . . . . . 5999 1 323 . 1 1 30 30 ARG HD2 H 1 3.250 . . 2 . . . . . . . . 5999 1 324 . 1 1 31 31 ARG N N 15 114.825 . . 1 . . . . . . . . 5999 1 325 . 1 1 31 31 ARG H H 1 8.398 . . 1 . . . . . . . . 5999 1 326 . 1 1 31 31 ARG CA C 13 58.600 . . 1 . . . . . . . . 5999 1 327 . 1 1 31 31 ARG HA H 1 4.000 . . 1 . . . . . . . . 5999 1 328 . 1 1 31 31 ARG CB C 13 29.570 . . 1 . . . . . . . . 5999 1 329 . 1 1 31 31 ARG HB3 H 1 1.515 . . 2 . . . . . . . . 5999 1 330 . 1 1 31 31 ARG HB2 H 1 1.690 . . 2 . . . . . . . . 5999 1 331 . 1 1 31 31 ARG CG C 13 26.812 . . 1 . . . . . . . . 5999 1 332 . 1 1 31 31 ARG HG2 H 1 1.280 . . 1 . . . . . . . . 5999 1 333 . 1 1 31 31 ARG CD C 13 43.390 . . 1 . . . . . . . . 5999 1 334 . 1 1 31 31 ARG HD2 H 1 3.012 . . 1 . . . . . . . . 5999 1 335 . 1 1 32 32 PHE N N 15 113.873 . . 1 . . . . . . . . 5999 1 336 . 1 1 32 32 PHE H H 1 7.104 . . 1 . . . . . . . . 5999 1 337 . 1 1 32 32 PHE CA C 13 57.427 . . 1 . . . . . . . . 5999 1 338 . 1 1 32 32 PHE HA H 1 4.780 . . 1 . . . . . . . . 5999 1 339 . 1 1 32 32 PHE CB C 13 39.995 . . 1 . . . . . . . . 5999 1 340 . 1 1 32 32 PHE HB2 H 1 3.044 . . 1 . . . . . . . . 5999 1 341 . 1 1 32 32 PHE HD1 H 1 7.076 . . 1 . . . . . . . . 5999 1 342 . 1 1 32 32 PHE CE1 C 13 130.113 . . 1 . . . . . . . . 5999 1 343 . 1 1 32 32 PHE HE1 H 1 7.259 . . 1 . . . . . . . . 5999 1 344 . 1 1 33 33 LEU N N 15 121.724 . . 1 . . . . . . . . 5999 1 345 . 1 1 33 33 LEU H H 1 8.083 . . 1 . . . . . . . . 5999 1 346 . 1 1 33 33 LEU CA C 13 57.340 . . 1 . . . . . . . . 5999 1 347 . 1 1 33 33 LEU HA H 1 4.157 . . 1 . . . . . . . . 5999 1 348 . 1 1 33 33 LEU CB C 13 44.120 . . 1 . . . . . . . . 5999 1 349 . 1 1 33 33 LEU HB3 H 1 1.142 . . 2 . . . . . . . . 5999 1 350 . 1 1 33 33 LEU HB2 H 1 1.336 . . 2 . . . . . . . . 5999 1 351 . 1 1 33 33 LEU CG C 13 27.316 . . 1 . . . . . . . . 5999 1 352 . 1 1 33 33 LEU HG H 1 1.480 . . 1 . . . . . . . . 5999 1 353 . 1 1 33 33 LEU CD1 C 13 26.060 . . 1 . . . . . . . . 5999 1 354 . 1 1 33 33 LEU HD11 H 1 0.761 . . 1 . . . . . . . . 5999 1 355 . 1 1 33 33 LEU HD12 H 1 0.761 . . 1 . . . . . . . . 5999 1 356 . 1 1 33 33 LEU HD13 H 1 0.761 . . 1 . . . . . . . . 5999 1 357 . 1 1 33 33 LEU CD2 C 13 26.705 . . 1 . . . . . . . . 5999 1 358 . 1 1 33 33 LEU HD21 H 1 0.775 . . 1 . . . . . . . . 5999 1 359 . 1 1 33 33 LEU HD22 H 1 0.775 . . 1 . . . . . . . . 5999 1 360 . 1 1 33 33 LEU HD23 H 1 0.775 . . 1 . . . . . . . . 5999 1 361 . 1 1 34 34 GLU N N 15 117.202 . . 1 . . . . . . . . 5999 1 362 . 1 1 34 34 GLU H H 1 8.358 . . 1 . . . . . . . . 5999 1 363 . 1 1 34 34 GLU CA C 13 63.200 . . 1 . . . . . . . . 5999 1 364 . 1 1 34 34 GLU HA H 1 3.938 . . 1 . . . . . . . . 5999 1 365 . 1 1 34 34 GLU CB C 13 27.600 . . 1 . . . . . . . . 5999 1 366 . 1 1 34 34 GLU HB2 H 1 2.060 . . 1 . . . . . . . . 5999 1 367 . 1 1 34 34 GLU CG C 13 39.000 . . 1 . . . . . . . . 5999 1 368 . 1 1 34 34 GLU HG3 H 1 2.070 . . 2 . . . . . . . . 5999 1 369 . 1 1 34 34 GLU HG2 H 1 2.300 . . 2 . . . . . . . . 5999 1 370 . 1 1 35 35 PRO CA C 13 65.900 . . 1 . . . . . . . . 5999 1 371 . 1 1 35 35 PRO HA H 1 4.207 . . 1 . . . . . . . . 5999 1 372 . 1 1 35 35 PRO CB C 13 31.204 . . 1 . . . . . . . . 5999 1 373 . 1 1 35 35 PRO HB3 H 1 1.700 . . 2 . . . . . . . . 5999 1 374 . 1 1 35 35 PRO HB2 H 1 2.230 . . 2 . . . . . . . . 5999 1 375 . 1 1 35 35 PRO CG C 13 28.460 . . 1 . . . . . . . . 5999 1 376 . 1 1 35 35 PRO HG3 H 1 2.070 . . 2 . . . . . . . . 5999 1 377 . 1 1 35 35 PRO HG2 H 1 1.940 . . 2 . . . . . . . . 5999 1 378 . 1 1 35 35 PRO CD C 13 50.500 . . 1 . . . . . . . . 5999 1 379 . 1 1 35 35 PRO HD3 H 1 3.521 . . 2 . . . . . . . . 5999 1 380 . 1 1 35 35 PRO HD2 H 1 3.444 . . 2 . . . . . . . . 5999 1 381 . 1 1 36 36 PHE N N 15 115.450 . . 1 . . . . . . . . 5999 1 382 . 1 1 36 36 PHE H H 1 6.966 . . 1 . . . . . . . . 5999 1 383 . 1 1 36 36 PHE CA C 13 60.333 . . 1 . . . . . . . . 5999 1 384 . 1 1 36 36 PHE HA H 1 4.268 . . 1 . . . . . . . . 5999 1 385 . 1 1 36 36 PHE CB C 13 39.995 . . 1 . . . . . . . . 5999 1 386 . 1 1 36 36 PHE HB2 H 1 3.198 . . 1 . . . . . . . . 5999 1 387 . 1 1 36 36 PHE HD1 H 1 7.157 . . 1 . . . . . . . . 5999 1 388 . 1 1 36 36 PHE HE1 H 1 7.010 . . 1 . . . . . . . . 5999 1 389 . 1 1 36 36 PHE HZ H 1 6.873 . . 1 . . . . . . . . 5999 1 390 . 1 1 37 37 LEU N N 15 115.538 . . 1 . . . . . . . . 5999 1 391 . 1 1 37 37 LEU H H 1 7.816 . . 1 . . . . . . . . 5999 1 392 . 1 1 37 37 LEU CA C 13 55.180 . . 1 . . . . . . . . 5999 1 393 . 1 1 37 37 LEU HA H 1 3.988 . . 1 . . . . . . . . 5999 1 394 . 1 1 37 37 LEU CB C 13 44.221 . . 1 . . . . . . . . 5999 1 395 . 1 1 37 37 LEU HB3 H 1 1.223 . . 2 . . . . . . . . 5999 1 396 . 1 1 37 37 LEU HB2 H 1 1.667 . . 2 . . . . . . . . 5999 1 397 . 1 1 37 37 LEU CG C 13 26.260 . . 1 . . . . . . . . 5999 1 398 . 1 1 37 37 LEU HG H 1 1.945 . . 1 . . . . . . . . 5999 1 399 . 1 1 37 37 LEU CD1 C 13 23.618 . . 2 . . . . . . . . 5999 1 400 . 1 1 37 37 LEU HD11 H 1 0.786 . . 2 . . . . . . . . 5999 1 401 . 1 1 37 37 LEU HD12 H 1 0.786 . . 2 . . . . . . . . 5999 1 402 . 1 1 37 37 LEU HD13 H 1 0.786 . . 2 . . . . . . . . 5999 1 403 . 1 1 37 37 LEU CD2 C 13 26.524 . . 2 . . . . . . . . 5999 1 404 . 1 1 37 37 LEU HD21 H 1 0.630 . . 2 . . . . . . . . 5999 1 405 . 1 1 37 37 LEU HD22 H 1 0.630 . . 2 . . . . . . . . 5999 1 406 . 1 1 37 37 LEU HD23 H 1 0.630 . . 2 . . . . . . . . 5999 1 407 . 1 1 38 38 ARG N N 15 116.728 . . 1 . . . . . . . . 5999 1 408 . 1 1 38 38 ARG H H 1 7.370 . . 1 . . . . . . . . 5999 1 409 . 1 1 38 38 ARG CA C 13 59.010 . . 1 . . . . . . . . 5999 1 410 . 1 1 38 38 ARG HA H 1 3.603 . . 1 . . . . . . . . 5999 1 411 . 1 1 38 38 ARG CB C 13 29.830 . . 1 . . . . . . . . 5999 1 412 . 1 1 38 38 ARG HB2 H 1 1.680 . . 1 . . . . . . . . 5999 1 413 . 1 1 38 38 ARG CG C 13 27.300 . . 1 . . . . . . . . 5999 1 414 . 1 1 38 38 ARG HG3 H 1 1.628 . . 2 . . . . . . . . 5999 1 415 . 1 1 38 38 ARG HG2 H 1 1.443 . . 2 . . . . . . . . 5999 1 416 . 1 1 38 38 ARG CD C 13 44.120 . . 1 . . . . . . . . 5999 1 417 . 1 1 38 38 ARG HD2 H 1 3.146 . . 1 . . . . . . . . 5999 1 418 . 1 1 39 39 GLY N N 15 113.635 . . 1 . . . . . . . . 5999 1 419 . 1 1 39 39 GLY H H 1 8.975 . . 1 . . . . . . . . 5999 1 420 . 1 1 39 39 GLY CA C 13 45.540 . . 1 . . . . . . . . 5999 1 421 . 1 1 39 39 GLY HA3 H 1 3.478 . . 2 . . . . . . . . 5999 1 422 . 1 1 39 39 GLY HA2 H 1 4.200 . . 2 . . . . . . . . 5999 1 423 . 1 1 40 40 ILE N N 15 117.442 . . 1 . . . . . . . . 5999 1 424 . 1 1 40 40 ILE H H 1 7.509 . . 1 . . . . . . . . 5999 1 425 . 1 1 40 40 ILE CA C 13 61.918 . . 1 . . . . . . . . 5999 1 426 . 1 1 40 40 ILE HA H 1 4.170 . . 1 . . . . . . . . 5999 1 427 . 1 1 40 40 ILE CB C 13 39.270 . . 1 . . . . . . . . 5999 1 428 . 1 1 40 40 ILE HB H 1 1.750 . . 1 . . . . . . . . 5999 1 429 . 1 1 40 40 ILE CG1 C 13 26.260 . . 1 . . . . . . . . 5999 1 430 . 1 1 40 40 ILE HG13 H 1 1.150 . . 2 . . . . . . . . 5999 1 431 . 1 1 40 40 ILE HG12 H 1 1.340 . . 2 . . . . . . . . 5999 1 432 . 1 1 40 40 ILE CD1 C 13 15.000 . . 1 . . . . . . . . 5999 1 433 . 1 1 40 40 ILE HD11 H 1 0.564 . . 1 . . . . . . . . 5999 1 434 . 1 1 40 40 ILE HD12 H 1 0.564 . . 1 . . . . . . . . 5999 1 435 . 1 1 40 40 ILE HD13 H 1 0.564 . . 1 . . . . . . . . 5999 1 436 . 1 1 40 40 ILE CG2 C 13 17.430 . . 1 . . . . . . . . 5999 1 437 . 1 1 40 40 ILE HG21 H 1 0.656 . . 1 . . . . . . . . 5999 1 438 . 1 1 40 40 ILE HG22 H 1 0.656 . . 1 . . . . . . . . 5999 1 439 . 1 1 40 40 ILE HG23 H 1 0.656 . . 1 . . . . . . . . 5999 1 440 . 1 1 41 41 ASN N N 15 120.535 . . 1 . . . . . . . . 5999 1 441 . 1 1 41 41 ASN H H 1 8.396 . . 1 . . . . . . . . 5999 1 442 . 1 1 41 41 ASN CA C 13 51.881 . . 1 . . . . . . . . 5999 1 443 . 1 1 41 41 ASN HA H 1 5.685 . . 1 . . . . . . . . 5999 1 444 . 1 1 41 41 ASN CB C 13 40.080 . . 1 . . . . . . . . 5999 1 445 . 1 1 41 41 ASN HB3 H 1 2.198 . . 2 . . . . . . . . 5999 1 446 . 1 1 41 41 ASN HB2 H 1 2.568 . . 2 . . . . . . . . 5999 1 447 . 1 1 42 42 VAL N N 15 113.873 . . 1 . . . . . . . . 5999 1 448 . 1 1 42 42 VAL H H 1 9.181 . . 1 . . . . . . . . 5999 1 449 . 1 1 42 42 VAL CA C 13 58.210 . . 1 . . . . . . . . 5999 1 450 . 1 1 42 42 VAL HA H 1 4.985 . . 1 . . . . . . . . 5999 1 451 . 1 1 42 42 VAL CB C 13 35.770 . . 1 . . . . . . . . 5999 1 452 . 1 1 42 42 VAL HB H 1 1.960 . . 1 . . . . . . . . 5999 1 453 . 1 1 42 42 VAL CG2 C 13 18.240 . . 1 . . . . . . . . 5999 1 454 . 1 1 42 42 VAL HG21 H 1 0.713 . . 1 . . . . . . . . 5999 1 455 . 1 1 42 42 VAL HG22 H 1 0.713 . . 1 . . . . . . . . 5999 1 456 . 1 1 42 42 VAL HG23 H 1 0.713 . . 1 . . . . . . . . 5999 1 457 . 1 1 42 42 VAL CG1 C 13 22.550 . . 1 . . . . . . . . 5999 1 458 . 1 1 42 42 VAL HG11 H 1 0.695 . . 1 . . . . . . . . 5999 1 459 . 1 1 42 42 VAL HG12 H 1 0.695 . . 1 . . . . . . . . 5999 1 460 . 1 1 42 42 VAL HG13 H 1 0.695 . . 1 . . . . . . . . 5999 1 461 . 1 1 43 43 VAL N N 15 120.059 . . 1 . . . . . . . . 5999 1 462 . 1 1 43 43 VAL H H 1 8.973 . . 1 . . . . . . . . 5999 1 463 . 1 1 43 43 VAL CA C 13 61.650 . . 1 . . . . . . . . 5999 1 464 . 1 1 43 43 VAL HA H 1 4.360 . . 1 . . . . . . . . 5999 1 465 . 1 1 43 43 VAL CB C 13 32.800 . . 1 . . . . . . . . 5999 1 466 . 1 1 43 43 VAL HB H 1 1.850 . . 1 . . . . . . . . 5999 1 467 . 1 1 43 43 VAL CG1 C 13 21.241 . . 1 . . . . . . . . 5999 1 468 . 1 1 43 43 VAL HG11 H 1 0.611 . . 1 . . . . . . . . 5999 1 469 . 1 1 43 43 VAL HG12 H 1 0.611 . . 1 . . . . . . . . 5999 1 470 . 1 1 43 43 VAL HG13 H 1 0.611 . . 1 . . . . . . . . 5999 1 471 . 1 1 43 43 VAL CG2 C 13 21.241 . . 1 . . . . . . . . 5999 1 472 . 1 1 43 43 VAL HG21 H 1 0.733 . . 1 . . . . . . . . 5999 1 473 . 1 1 43 43 VAL HG22 H 1 0.733 . . 1 . . . . . . . . 5999 1 474 . 1 1 43 43 VAL HG23 H 1 0.733 . . 1 . . . . . . . . 5999 1 475 . 1 1 44 44 TYR N N 15 131.003 . . 1 . . . . . . . . 5999 1 476 . 1 1 44 44 TYR H H 1 9.575 . . 1 . . . . . . . . 5999 1 477 . 1 1 44 44 TYR CA C 13 55.562 . . 1 . . . . . . . . 5999 1 478 . 1 1 44 44 TYR HA H 1 5.269 . . 1 . . . . . . . . 5999 1 479 . 1 1 44 44 TYR CB C 13 40.519 . . 1 . . . . . . . . 5999 1 480 . 1 1 44 44 TYR HB3 H 1 3.040 . . 2 . . . . . . . . 5999 1 481 . 1 1 44 44 TYR HB2 H 1 3.090 . . 2 . . . . . . . . 5999 1 482 . 1 1 44 44 TYR CD1 C 13 134.066 . . 1 . . . . . . . . 5999 1 483 . 1 1 44 44 TYR HD1 H 1 7.050 . . 1 . . . . . . . . 5999 1 484 . 1 1 44 44 TYR CE1 C 13 119.100 . . 1 . . . . . . . . 5999 1 485 . 1 1 44 44 TYR HE1 H 1 6.710 . . 1 . . . . . . . . 5999 1 486 . 1 1 45 45 THR N N 15 124.240 . . 1 . . . . . . . . 5999 1 487 . 1 1 45 45 THR H H 1 8.100 . . 1 . . . . . . . . 5999 1 488 . 1 1 45 45 THR CA C 13 58.960 . . 1 . . . . . . . . 5999 1 489 . 1 1 45 45 THR HA H 1 4.230 . . 1 . . . . . . . . 5999 1 490 . 1 1 45 45 THR CB C 13 69.200 . . 1 . . . . . . . . 5999 1 491 . 1 1 45 45 THR HB H 1 3.753 . . 1 . . . . . . . . 5999 1 492 . 1 1 45 45 THR CG2 C 13 21.470 . . 1 . . . . . . . . 5999 1 493 . 1 1 45 45 THR HG21 H 1 0.910 . . 1 . . . . . . . . 5999 1 494 . 1 1 45 45 THR HG22 H 1 0.910 . . 1 . . . . . . . . 5999 1 495 . 1 1 45 45 THR HG23 H 1 0.910 . . 1 . . . . . . . . 5999 1 496 . 1 1 46 46 PRO CA C 13 60.840 . . 1 . . . . . . . . 5999 1 497 . 1 1 46 46 PRO HA H 1 3.850 . . 1 . . . . . . . . 5999 1 498 . 1 1 46 46 PRO CB C 13 30.220 . . 1 . . . . . . . . 5999 1 499 . 1 1 46 46 PRO HB3 H 1 1.980 . . 2 . . . . . . . . 5999 1 500 . 1 1 46 46 PRO HB2 H 1 1.428 . . 2 . . . . . . . . 5999 1 501 . 1 1 46 46 PRO CG C 13 27.100 . . 1 . . . . . . . . 5999 1 502 . 1 1 46 46 PRO HG2 H 1 1.620 . . 1 . . . . . . . . 5999 1 503 . 1 1 46 46 PRO CD C 13 50.600 . . 1 . . . . . . . . 5999 1 504 . 1 1 46 46 PRO HD3 H 1 3.154 . . 2 . . . . . . . . 5999 1 505 . 1 1 46 46 PRO HD2 H 1 2.915 . . 2 . . . . . . . . 5999 1 506 . 1 1 47 47 PRO CA C 13 62.440 . . 1 . . . . . . . . 5999 1 507 . 1 1 47 47 PRO HA H 1 3.930 . . 1 . . . . . . . . 5999 1 508 . 1 1 47 47 PRO CB C 13 32.010 . . 1 . . . . . . . . 5999 1 509 . 1 1 47 47 PRO HB3 H 1 1.800 . . 2 . . . . . . . . 5999 1 510 . 1 1 47 47 PRO HB2 H 1 1.316 . . 2 . . . . . . . . 5999 1 511 . 1 1 47 47 PRO CG C 13 27.840 . . 1 . . . . . . . . 5999 1 512 . 1 1 47 47 PRO HG3 H 1 0.910 . . 2 . . . . . . . . 5999 1 513 . 1 1 47 47 PRO HG2 H 1 0.610 . . 2 . . . . . . . . 5999 1 514 . 1 1 47 47 PRO CD C 13 49.500 . . 1 . . . . . . . . 5999 1 515 . 1 1 47 47 PRO HD3 H 1 3.041 . . 2 . . . . . . . . 5999 1 516 . 1 1 47 47 PRO HD2 H 1 1.780 . . 2 . . . . . . . . 5999 1 517 . 1 1 48 48 GLN N N 15 125.531 . . 1 . . . . . . . . 5999 1 518 . 1 1 48 48 GLN H H 1 8.972 . . 1 . . . . . . . . 5999 1 519 . 1 1 48 48 GLN CA C 13 59.382 . . 1 . . . . . . . . 5999 1 520 . 1 1 48 48 GLN HA H 1 4.146 . . 1 . . . . . . . . 5999 1 521 . 1 1 48 48 GLN CB C 13 26.708 . . 1 . . . . . . . . 5999 1 522 . 1 1 48 48 GLN HB2 H 1 2.074 . . 1 . . . . . . . . 5999 1 523 . 1 1 48 48 GLN CG C 13 33.928 . . 1 . . . . . . . . 5999 1 524 . 1 1 48 48 GLN HG2 H 1 2.429 . . 1 . . . . . . . . 5999 1 525 . 1 1 49 49 SER N N 15 112.446 . . 1 . . . . . . . . 5999 1 526 . 1 1 49 49 SER H H 1 8.529 . . 1 . . . . . . . . 5999 1 527 . 1 1 49 49 SER CA C 13 60.300 . . 1 . . . . . . . . 5999 1 528 . 1 1 49 49 SER HA H 1 4.180 . . 1 . . . . . . . . 5999 1 529 . 1 1 49 49 SER CB C 13 62.400 . . 1 . . . . . . . . 5999 1 530 . 1 1 49 49 SER HB2 H 1 3.960 . . 1 . . . . . . . . 5999 1 531 . 1 1 50 50 PHE N N 15 122.300 . . 1 . . . . . . . . 5999 1 532 . 1 1 50 50 PHE H H 1 8.250 . . 1 . . . . . . . . 5999 1 533 . 1 1 50 50 PHE CA C 13 58.150 . . 1 . . . . . . . . 5999 1 534 . 1 1 50 50 PHE HA H 1 4.374 . . 1 . . . . . . . . 5999 1 535 . 1 1 50 50 PHE CB C 13 37.110 . . 1 . . . . . . . . 5999 1 536 . 1 1 50 50 PHE HB3 H 1 3.001 . . 2 . . . . . . . . 5999 1 537 . 1 1 50 50 PHE HB2 H 1 3.278 . . 2 . . . . . . . . 5999 1 538 . 1 1 50 50 PHE CD1 C 13 131.525 . . 1 . . . . . . . . 5999 1 539 . 1 1 50 50 PHE HD1 H 1 7.320 . . 1 . . . . . . . . 5999 1 540 . 1 1 50 50 PHE CE1 C 13 132.372 . . 1 . . . . . . . . 5999 1 541 . 1 1 50 50 PHE HE1 H 1 7.076 . . 1 . . . . . . . . 5999 1 542 . 1 1 50 50 PHE CZ C 13 130.113 . . 1 . . . . . . . . 5999 1 543 . 1 1 50 50 PHE HZ H 1 6.537 . . 1 . . . . . . . . 5999 1 544 . 1 1 51 51 GLN N N 15 116.014 . . 1 . . . . . . . . 5999 1 545 . 1 1 51 51 GLN H H 1 7.992 . . 1 . . . . . . . . 5999 1 546 . 1 1 51 51 GLN CA C 13 56.803 . . 1 . . . . . . . . 5999 1 547 . 1 1 51 51 GLN HA H 1 3.953 . . 1 . . . . . . . . 5999 1 548 . 1 1 51 51 GLN CB C 13 26.743 . . 1 . . . . . . . . 5999 1 549 . 1 1 51 51 GLN HB2 H 1 2.120 . . 1 . . . . . . . . 5999 1 550 . 1 1 51 51 GLN CG C 13 34.134 . . 1 . . . . . . . . 5999 1 551 . 1 1 51 51 GLN HG2 H 1 2.232 . . 1 . . . . . . . . 5999 1 552 . 1 1 52 52 SER N N 15 113.397 . . 1 . . . . . . . . 5999 1 553 . 1 1 52 52 SER H H 1 8.503 . . 1 . . . . . . . . 5999 1 554 . 1 1 52 52 SER CA C 13 56.530 . . 1 . . . . . . . . 5999 1 555 . 1 1 52 52 SER HA H 1 4.706 . . 1 . . . . . . . . 5999 1 556 . 1 1 52 52 SER CB C 13 65.430 . . 1 . . . . . . . . 5999 1 557 . 1 1 52 52 SER HB2 H 1 3.576 . . 1 . . . . . . . . 5999 1 558 . 1 1 53 53 ALA N N 15 127.196 . . 1 . . . . . . . . 5999 1 559 . 1 1 53 53 ALA H H 1 8.466 . . 1 . . . . . . . . 5999 1 560 . 1 1 53 53 ALA CA C 13 50.824 . . 1 . . . . . . . . 5999 1 561 . 1 1 53 53 ALA HA H 1 4.580 . . 1 . . . . . . . . 5999 1 562 . 1 1 53 53 ALA CB C 13 18.780 . . 1 . . . . . . . . 5999 1 563 . 1 1 53 53 ALA HB1 H 1 1.319 . . 1 . . . . . . . . 5999 1 564 . 1 1 53 53 ALA HB2 H 1 1.319 . . 1 . . . . . . . . 5999 1 565 . 1 1 53 53 ALA HB3 H 1 1.319 . . 1 . . . . . . . . 5999 1 566 . 1 1 54 54 PRO CA C 13 63.000 . . 1 . . . . . . . . 5999 1 567 . 1 1 54 54 PRO HA H 1 4.930 . . 1 . . . . . . . . 5999 1 568 . 1 1 54 54 PRO CB C 13 32.800 . . 1 . . . . . . . . 5999 1 569 . 1 1 54 54 PRO HB3 H 1 1.575 . . 2 . . . . . . . . 5999 1 570 . 1 1 54 54 PRO HB2 H 1 2.184 . . 2 . . . . . . . . 5999 1 571 . 1 1 54 54 PRO CG C 13 28.480 . . 1 . . . . . . . . 5999 1 572 . 1 1 54 54 PRO HG3 H 1 1.940 . . 2 . . . . . . . . 5999 1 573 . 1 1 54 54 PRO HG2 H 1 1.850 . . 2 . . . . . . . . 5999 1 574 . 1 1 54 54 PRO CD C 13 51.140 . . 1 . . . . . . . . 5999 1 575 . 1 1 54 54 PRO HD3 H 1 3.470 . . 2 . . . . . . . . 5999 1 576 . 1 1 54 54 PRO HD2 H 1 3.754 . . 2 . . . . . . . . 5999 1 577 . 1 1 55 55 ARG N N 15 120.059 . . 1 . . . . . . . . 5999 1 578 . 1 1 55 55 ARG H H 1 8.450 . . 1 . . . . . . . . 5999 1 579 . 1 1 55 55 ARG CA C 13 54.900 . . 1 . . . . . . . . 5999 1 580 . 1 1 55 55 ARG HA H 1 4.538 . . 1 . . . . . . . . 5999 1 581 . 1 1 55 55 ARG CB C 13 35.220 . . 1 . . . . . . . . 5999 1 582 . 1 1 55 55 ARG HB2 H 1 1.606 . . 1 . . . . . . . . 5999 1 583 . 1 1 55 55 ARG CG C 13 26.870 . . 1 . . . . . . . . 5999 1 584 . 1 1 55 55 ARG HG3 H 1 1.340 . . 2 . . . . . . . . 5999 1 585 . 1 1 55 55 ARG HG2 H 1 1.440 . . 2 . . . . . . . . 5999 1 586 . 1 1 55 55 ARG CD C 13 43.580 . . 1 . . . . . . . . 5999 1 587 . 1 1 55 55 ARG HD2 H 1 3.069 . . 1 . . . . . . . . 5999 1 588 . 1 1 56 56 VAL N N 15 122.676 . . 1 . . . . . . . . 5999 1 589 . 1 1 56 56 VAL H H 1 8.095 . . 1 . . . . . . . . 5999 1 590 . 1 1 56 56 VAL CA C 13 61.389 . . 1 . . . . . . . . 5999 1 591 . 1 1 56 56 VAL HA H 1 4.968 . . 1 . . . . . . . . 5999 1 592 . 1 1 56 56 VAL CB C 13 33.070 . . 1 . . . . . . . . 5999 1 593 . 1 1 56 56 VAL HB H 1 1.672 . . 1 . . . . . . . . 5999 1 594 . 1 1 56 56 VAL CG1 C 13 21.240 . . 1 . . . . . . . . 5999 1 595 . 1 1 56 56 VAL HG11 H 1 0.688 . . 1 . . . . . . . . 5999 1 596 . 1 1 56 56 VAL HG12 H 1 0.688 . . 1 . . . . . . . . 5999 1 597 . 1 1 56 56 VAL HG13 H 1 0.688 . . 1 . . . . . . . . 5999 1 598 . 1 1 56 56 VAL CG2 C 13 22.298 . . 1 . . . . . . . . 5999 1 599 . 1 1 56 56 VAL HG21 H 1 0.813 . . 1 . . . . . . . . 5999 1 600 . 1 1 56 56 VAL HG22 H 1 0.813 . . 1 . . . . . . . . 5999 1 601 . 1 1 56 56 VAL HG23 H 1 0.813 . . 1 . . . . . . . . 5999 1 602 . 1 1 57 57 TYR N N 15 124.650 . . 1 . . . . . . . . 5999 1 603 . 1 1 57 57 TYR H H 1 9.154 . . 1 . . . . . . . . 5999 1 604 . 1 1 57 57 TYR CA C 13 57.340 . . 1 . . . . . . . . 5999 1 605 . 1 1 57 57 TYR HA H 1 4.826 . . 1 . . . . . . . . 5999 1 606 . 1 1 57 57 TYR CB C 13 45.200 . . 1 . . . . . . . . 5999 1 607 . 1 1 57 57 TYR HB3 H 1 2.210 . . 2 . . . . . . . . 5999 1 608 . 1 1 57 57 TYR HB2 H 1 2.935 . . 2 . . . . . . . . 5999 1 609 . 1 1 57 57 TYR CD1 C 13 134.631 . . 1 . . . . . . . . 5999 1 610 . 1 1 57 57 TYR HD1 H 1 6.975 . . 1 . . . . . . . . 5999 1 611 . 1 1 57 57 TYR CE1 C 13 118.253 . . 1 . . . . . . . . 5999 1 612 . 1 1 57 57 TYR HE1 H 1 6.650 . . 1 . . . . . . . . 5999 1 613 . 1 1 58 58 ARG N N 15 121.248 . . 1 . . . . . . . . 5999 1 614 . 1 1 58 58 ARG H H 1 8.668 . . 1 . . . . . . . . 5999 1 615 . 1 1 58 58 ARG CA C 13 55.180 . . 1 . . . . . . . . 5999 1 616 . 1 1 58 58 ARG HA H 1 4.962 . . 1 . . . . . . . . 5999 1 617 . 1 1 58 58 ARG CB C 13 31.720 . . 1 . . . . . . . . 5999 1 618 . 1 1 58 58 ARG HB2 H 1 1.641 . . 1 . . . . . . . . 5999 1 619 . 1 1 58 58 ARG CG C 13 27.410 . . 1 . . . . . . . . 5999 1 620 . 1 1 58 58 ARG HG2 H 1 1.363 . . 1 . . . . . . . . 5999 1 621 . 1 1 58 58 ARG CD C 13 43.499 . . 1 . . . . . . . . 5999 1 622 . 1 1 58 58 ARG HD2 H 1 3.070 . . 1 . . . . . . . . 5999 1 623 . 1 1 59 59 VAL N N 15 126.244 . . 1 . . . . . . . . 5999 1 624 . 1 1 59 59 VAL H H 1 9.082 . . 1 . . . . . . . . 5999 1 625 . 1 1 59 59 VAL CA C 13 64.080 . . 1 . . . . . . . . 5999 1 626 . 1 1 59 59 VAL HA H 1 3.791 . . 1 . . . . . . . . 5999 1 627 . 1 1 59 59 VAL CB C 13 32.530 . . 1 . . . . . . . . 5999 1 628 . 1 1 59 59 VAL HB H 1 2.363 . . 1 . . . . . . . . 5999 1 629 . 1 1 59 59 VAL CG1 C 13 24.440 . . 1 . . . . . . . . 5999 1 630 . 1 1 59 59 VAL HG11 H 1 0.825 . . 1 . . . . . . . . 5999 1 631 . 1 1 59 59 VAL HG12 H 1 0.825 . . 1 . . . . . . . . 5999 1 632 . 1 1 59 59 VAL HG13 H 1 0.825 . . 1 . . . . . . . . 5999 1 633 . 1 1 59 59 VAL CG2 C 13 25.495 . . 1 . . . . . . . . 5999 1 634 . 1 1 59 59 VAL HG21 H 1 0.872 . . 1 . . . . . . . . 5999 1 635 . 1 1 59 59 VAL HG22 H 1 0.872 . . 1 . . . . . . . . 5999 1 636 . 1 1 59 59 VAL HG23 H 1 0.872 . . 1 . . . . . . . . 5999 1 637 . 1 1 60 60 ASN N N 15 124.341 . . 1 . . . . . . . . 5999 1 638 . 1 1 60 60 ASN H H 1 9.377 . . 1 . . . . . . . . 5999 1 639 . 1 1 60 60 ASN CA C 13 53.994 . . 1 . . . . . . . . 5999 1 640 . 1 1 60 60 ASN HA H 1 4.851 . . 1 . . . . . . . . 5999 1 641 . 1 1 60 60 ASN CB C 13 40.520 . . 1 . . . . . . . . 5999 1 642 . 1 1 60 60 ASN HB3 H 1 2.456 . . 2 . . . . . . . . 5999 1 643 . 1 1 60 60 ASN HB2 H 1 2.524 . . 2 . . . . . . . . 5999 1 644 . 1 1 61 61 GLY N N 15 104.825 . . 1 . . . . . . . . 5999 1 645 . 1 1 61 61 GLY H H 1 7.536 . . 1 . . . . . . . . 5999 1 646 . 1 1 61 61 GLY CA C 13 45.540 . . 1 . . . . . . . . 5999 1 647 . 1 1 61 61 GLY HA3 H 1 3.570 . . 2 . . . . . . . . 5999 1 648 . 1 1 61 61 GLY HA2 H 1 4.300 . . 2 . . . . . . . . 5999 1 649 . 1 1 62 62 LEU N N 15 122.200 . . 1 . . . . . . . . 5999 1 650 . 1 1 62 62 LEU H H 1 9.292 . . 1 . . . . . . . . 5999 1 651 . 1 1 62 62 LEU CA C 13 53.465 . . 1 . . . . . . . . 5999 1 652 . 1 1 62 62 LEU HA H 1 5.035 . . 1 . . . . . . . . 5999 1 653 . 1 1 62 62 LEU CB C 13 45.750 . . 1 . . . . . . . . 5999 1 654 . 1 1 62 62 LEU HB3 H 1 1.382 . . 2 . . . . . . . . 5999 1 655 . 1 1 62 62 LEU HB2 H 1 1.540 . . 2 . . . . . . . . 5999 1 656 . 1 1 62 62 LEU CG C 13 27.316 . . 1 . . . . . . . . 5999 1 657 . 1 1 62 62 LEU HG H 1 1.511 . . 1 . . . . . . . . 5999 1 658 . 1 1 62 62 LEU CD1 C 13 24.939 . . 1 . . . . . . . . 5999 1 659 . 1 1 62 62 LEU HD11 H 1 0.542 . . 1 . . . . . . . . 5999 1 660 . 1 1 62 62 LEU HD12 H 1 0.542 . . 1 . . . . . . . . 5999 1 661 . 1 1 62 62 LEU HD13 H 1 0.542 . . 1 . . . . . . . . 5999 1 662 . 1 1 62 62 LEU CD2 C 13 24.100 . . 1 . . . . . . . . 5999 1 663 . 1 1 62 62 LEU HD21 H 1 0.520 . . 1 . . . . . . . . 5999 1 664 . 1 1 62 62 LEU HD22 H 1 0.520 . . 1 . . . . . . . . 5999 1 665 . 1 1 62 62 LEU HD23 H 1 0.520 . . 1 . . . . . . . . 5999 1 666 . 1 1 63 63 SER N N 15 117.680 . . 1 . . . . . . . . 5999 1 667 . 1 1 63 63 SER H H 1 9.002 . . 1 . . . . . . . . 5999 1 668 . 1 1 63 63 SER CA C 13 58.800 . . 1 . . . . . . . . 5999 1 669 . 1 1 63 63 SER HA H 1 4.302 . . 1 . . . . . . . . 5999 1 670 . 1 1 63 63 SER CB C 13 64.620 . . 1 . . . . . . . . 5999 1 671 . 1 1 63 63 SER HB3 H 1 4.680 . . 2 . . . . . . . . 5999 1 672 . 1 1 63 63 SER HB2 H 1 3.511 . . 2 . . . . . . . . 5999 1 673 . 1 1 64 64 ARG N N 15 121.724 . . 1 . . . . . . . . 5999 1 674 . 1 1 64 64 ARG H H 1 9.067 . . 1 . . . . . . . . 5999 1 675 . 1 1 64 64 ARG CA C 13 59.230 . . 1 . . . . . . . . 5999 1 676 . 1 1 64 64 ARG HA H 1 4.045 . . 1 . . . . . . . . 5999 1 677 . 1 1 64 64 ARG CB C 13 30.325 . . 1 . . . . . . . . 5999 1 678 . 1 1 64 64 ARG HB2 H 1 1.930 . . 1 . . . . . . . . 5999 1 679 . 1 1 64 64 ARG CG C 13 27.581 . . 1 . . . . . . . . 5999 1 680 . 1 1 64 64 ARG HG3 H 1 1.588 . . 2 . . . . . . . . 5999 1 681 . 1 1 64 64 ARG HG2 H 1 1.706 . . 2 . . . . . . . . 5999 1 682 . 1 1 64 64 ARG CD C 13 43.170 . . 1 . . . . . . . . 5999 1 683 . 1 1 64 64 ARG HD2 H 1 3.195 . . 1 . . . . . . . . 5999 1 684 . 1 1 65 65 ALA N N 15 121.724 . . 1 . . . . . . . . 5999 1 685 . 1 1 65 65 ALA H H 1 9.052 . . 1 . . . . . . . . 5999 1 686 . 1 1 65 65 ALA CA C 13 49.522 . . 1 . . . . . . . . 5999 1 687 . 1 1 65 65 ALA HA H 1 4.822 . . 1 . . . . . . . . 5999 1 688 . 1 1 65 65 ALA CB C 13 20.390 . . 1 . . . . . . . . 5999 1 689 . 1 1 65 65 ALA HB1 H 1 1.207 . . 1 . . . . . . . . 5999 1 690 . 1 1 65 65 ALA HB2 H 1 1.207 . . 1 . . . . . . . . 5999 1 691 . 1 1 65 65 ALA HB3 H 1 1.207 . . 1 . . . . . . . . 5999 1 692 . 1 1 66 66 PRO CA C 13 62.190 . . 1 . . . . . . . . 5999 1 693 . 1 1 66 66 PRO HA H 1 3.440 . . 1 . . . . . . . . 5999 1 694 . 1 1 66 66 PRO CB C 13 33.610 . . 1 . . . . . . . . 5999 1 695 . 1 1 66 66 PRO HB3 H 1 2.025 . . 2 . . . . . . . . 5999 1 696 . 1 1 66 66 PRO HB2 H 1 1.624 . . 2 . . . . . . . . 5999 1 697 . 1 1 66 66 PRO CG C 13 28.210 . . 1 . . . . . . . . 5999 1 698 . 1 1 66 66 PRO HG3 H 1 1.338 . . 2 . . . . . . . . 5999 1 699 . 1 1 66 66 PRO HG2 H 1 1.840 . . 2 . . . . . . . . 5999 1 700 . 1 1 66 66 PRO CD C 13 51.400 . . 1 . . . . . . . . 5999 1 701 . 1 1 66 66 PRO HD3 H 1 3.233 . . 2 . . . . . . . . 5999 1 702 . 1 1 66 66 PRO HD2 H 1 3.292 . . 2 . . . . . . . . 5999 1 703 . 1 1 67 67 ALA N N 15 123.152 . . 1 . . . . . . . . 5999 1 704 . 1 1 67 67 ALA H H 1 7.621 . . 1 . . . . . . . . 5999 1 705 . 1 1 67 67 ALA CA C 13 56.200 . . 1 . . . . . . . . 5999 1 706 . 1 1 67 67 ALA HA H 1 3.822 . . 1 . . . . . . . . 5999 1 707 . 1 1 67 67 ALA CB C 13 18.780 . . 1 . . . . . . . . 5999 1 708 . 1 1 67 67 ALA HB1 H 1 1.428 . . 1 . . . . . . . . 5999 1 709 . 1 1 67 67 ALA HB2 H 1 1.428 . . 1 . . . . . . . . 5999 1 710 . 1 1 67 67 ALA HB3 H 1 1.428 . . 1 . . . . . . . . 5999 1 711 . 1 1 68 68 SER N N 15 106.260 . . 1 . . . . . . . . 5999 1 712 . 1 1 68 68 SER H H 1 7.613 . . 1 . . . . . . . . 5999 1 713 . 1 1 68 68 SER CA C 13 59.230 . . 1 . . . . . . . . 5999 1 714 . 1 1 68 68 SER HA H 1 4.110 . . 1 . . . . . . . . 5999 1 715 . 1 1 68 68 SER CB C 13 62.974 . . 1 . . . . . . . . 5999 1 716 . 1 1 68 68 SER HB3 H 1 3.530 . . 2 . . . . . . . . 5999 1 717 . 1 1 68 68 SER HB2 H 1 3.940 . . 2 . . . . . . . . 5999 1 718 . 1 1 69 69 SER N N 15 114.825 . . 1 . . . . . . . . 5999 1 719 . 1 1 69 69 SER H H 1 7.906 . . 1 . . . . . . . . 5999 1 720 . 1 1 69 69 SER CA C 13 58.960 . . 1 . . . . . . . . 5999 1 721 . 1 1 69 69 SER HA H 1 4.636 . . 1 . . . . . . . . 5999 1 722 . 1 1 69 69 SER CB C 13 65.351 . . 1 . . . . . . . . 5999 1 723 . 1 1 69 69 SER HB3 H 1 3.613 . . 2 . . . . . . . . 5999 1 724 . 1 1 69 69 SER HB2 H 1 3.708 . . 2 . . . . . . . . 5999 1 725 . 1 1 70 70 GLU N N 15 124.341 . . 1 . . . . . . . . 5999 1 726 . 1 1 70 70 GLU H H 1 7.745 . . 1 . . . . . . . . 5999 1 727 . 1 1 70 70 GLU CA C 13 57.073 . . 1 . . . . . . . . 5999 1 728 . 1 1 70 70 GLU HA H 1 4.220 . . 1 . . . . . . . . 5999 1 729 . 1 1 70 70 GLU CB C 13 31.180 . . 1 . . . . . . . . 5999 1 730 . 1 1 70 70 GLU HB3 H 1 1.710 . . 2 . . . . . . . . 5999 1 731 . 1 1 70 70 GLU HB2 H 1 1.853 . . 2 . . . . . . . . 5999 1 732 . 1 1 70 70 GLU CG C 13 36.308 . . 1 . . . . . . . . 5999 1 733 . 1 1 70 70 GLU HG3 H 1 2.004 . . 2 . . . . . . . . 5999 1 734 . 1 1 70 70 GLU HG2 H 1 2.130 . . 2 . . . . . . . . 5999 1 735 . 1 1 71 71 THR N N 15 114.111 . . 1 . . . . . . . . 5999 1 736 . 1 1 71 71 THR H H 1 8.262 . . 1 . . . . . . . . 5999 1 737 . 1 1 71 71 THR CA C 13 60.580 . . 1 . . . . . . . . 5999 1 738 . 1 1 71 71 THR HA H 1 5.180 . . 1 . . . . . . . . 5999 1 739 . 1 1 71 71 THR CB C 13 72.440 . . 1 . . . . . . . . 5999 1 740 . 1 1 71 71 THR HB H 1 3.886 . . 1 . . . . . . . . 5999 1 741 . 1 1 71 71 THR CG2 C 13 21.769 . . 1 . . . . . . . . 5999 1 742 . 1 1 71 71 THR HG21 H 1 1.005 . . 1 . . . . . . . . 5999 1 743 . 1 1 71 71 THR HG22 H 1 1.005 . . 1 . . . . . . . . 5999 1 744 . 1 1 71 71 THR HG23 H 1 1.005 . . 1 . . . . . . . . 5999 1 745 . 1 1 72 72 PHE N N 15 121.010 . . 1 . . . . . . . . 5999 1 746 . 1 1 72 72 PHE H H 1 9.014 . . 1 . . . . . . . . 5999 1 747 . 1 1 72 72 PHE CA C 13 55.990 . . 1 . . . . . . . . 5999 1 748 . 1 1 72 72 PHE HA H 1 4.748 . . 1 . . . . . . . . 5999 1 749 . 1 1 72 72 PHE CB C 13 41.430 . . 1 . . . . . . . . 5999 1 750 . 1 1 72 72 PHE HB3 H 1 2.882 . . 2 . . . . . . . . 5999 1 751 . 1 1 72 72 PHE HB2 H 1 2.970 . . 2 . . . . . . . . 5999 1 752 . 1 1 72 72 PHE CD1 C 13 132.937 . . 1 . . . . . . . . 5999 1 753 . 1 1 72 72 PHE HD1 H 1 6.907 . . 1 . . . . . . . . 5999 1 754 . 1 1 72 72 PHE CE1 C 13 131.807 . . 1 . . . . . . . . 5999 1 755 . 1 1 72 72 PHE HE1 H 1 6.699 . . 1 . . . . . . . . 5999 1 756 . 1 1 72 72 PHE CZ C 13 129.831 . . 1 . . . . . . . . 5999 1 757 . 1 1 72 72 PHE HZ H 1 6.037 . . 1 . . . . . . . . 5999 1 758 . 1 1 73 73 GLU N N 15 121.248 . . 1 . . . . . . . . 5999 1 759 . 1 1 73 73 GLU H H 1 8.137 . . 1 . . . . . . . . 5999 1 760 . 1 1 73 73 GLU CA C 13 55.450 . . 1 . . . . . . . . 5999 1 761 . 1 1 73 73 GLU HA H 1 4.680 . . 1 . . . . . . . . 5999 1 762 . 1 1 73 73 GLU CB C 13 30.910 . . 1 . . . . . . . . 5999 1 763 . 1 1 73 73 GLU HB3 H 1 1.650 . . 2 . . . . . . . . 5999 1 764 . 1 1 73 73 GLU HB2 H 1 1.710 . . 2 . . . . . . . . 5999 1 765 . 1 1 73 73 GLU CG C 13 37.110 . . 1 . . . . . . . . 5999 1 766 . 1 1 73 73 GLU HG3 H 1 1.786 . . 2 . . . . . . . . 5999 1 767 . 1 1 73 73 GLU HG2 H 1 1.890 . . 2 . . . . . . . . 5999 1 768 . 1 1 74 74 HIS N N 15 124.817 . . 1 . . . . . . . . 5999 1 769 . 1 1 74 74 HIS H H 1 8.777 . . 1 . . . . . . . . 5999 1 770 . 1 1 74 74 HIS CA C 13 55.990 . . 1 . . . . . . . . 5999 1 771 . 1 1 74 74 HIS HA H 1 4.534 . . 1 . . . . . . . . 5999 1 772 . 1 1 74 74 HIS CB C 13 33.610 . . 1 . . . . . . . . 5999 1 773 . 1 1 74 74 HIS HB3 H 1 2.409 . . 2 . . . . . . . . 5999 1 774 . 1 1 74 74 HIS HB2 H 1 2.650 . . 2 . . . . . . . . 5999 1 775 . 1 1 74 74 HIS CD2 C 13 120.230 . . 1 . . . . . . . . 5999 1 776 . 1 1 74 74 HIS HD2 H 1 6.912 . . 1 . . . . . . . . 5999 1 777 . 1 1 75 75 ASP N N 15 127.910 . . 1 . . . . . . . . 5999 1 778 . 1 1 75 75 ASP H H 1 8.914 . . 1 . . . . . . . . 5999 1 779 . 1 1 75 75 ASP CA C 13 55.180 . . 1 . . . . . . . . 5999 1 780 . 1 1 75 75 ASP HA H 1 4.011 . . 1 . . . . . . . . 5999 1 781 . 1 1 75 75 ASP CB C 13 39.700 . . 1 . . . . . . . . 5999 1 782 . 1 1 75 75 ASP HB3 H 1 1.956 . . 2 . . . . . . . . 5999 1 783 . 1 1 75 75 ASP HB2 H 1 2.704 . . 2 . . . . . . . . 5999 1 784 . 1 1 76 76 GLY N N 15 102.691 . . 1 . . . . . . . . 5999 1 785 . 1 1 76 76 GLY H H 1 8.498 . . 1 . . . . . . . . 5999 1 786 . 1 1 76 76 GLY CA C 13 45.750 . . 1 . . . . . . . . 5999 1 787 . 1 1 76 76 GLY HA3 H 1 3.514 . . 2 . . . . . . . . 5999 1 788 . 1 1 76 76 GLY HA2 H 1 3.965 . . 2 . . . . . . . . 5999 1 789 . 1 1 77 77 LYS N N 15 120.059 . . 1 . . . . . . . . 5999 1 790 . 1 1 77 77 LYS H H 1 7.654 . . 1 . . . . . . . . 5999 1 791 . 1 1 77 77 LYS CA C 13 54.370 . . 1 . . . . . . . . 5999 1 792 . 1 1 77 77 LYS HA H 1 4.538 . . 1 . . . . . . . . 5999 1 793 . 1 1 77 77 LYS CB C 13 35.490 . . 1 . . . . . . . . 5999 1 794 . 1 1 77 77 LYS HB2 H 1 1.658 . . 1 . . . . . . . . 5999 1 795 . 1 1 77 77 LYS CG C 13 24.710 . . 1 . . . . . . . . 5999 1 796 . 1 1 77 77 LYS HG2 H 1 1.274 . . 1 . . . . . . . . 5999 1 797 . 1 1 77 77 LYS CD C 13 29.228 . . 1 . . . . . . . . 5999 1 798 . 1 1 77 77 LYS HD2 H 1 1.597 . . 1 . . . . . . . . 5999 1 799 . 1 1 77 77 LYS CE C 13 42.240 . . 1 . . . . . . . . 5999 1 800 . 1 1 77 77 LYS HE2 H 1 2.891 . . 1 . . . . . . . . 5999 1 801 . 1 1 78 78 LYS N N 15 121.962 . . 1 . . . . . . . . 5999 1 802 . 1 1 78 78 LYS H H 1 8.426 . . 1 . . . . . . . . 5999 1 803 . 1 1 78 78 LYS CA C 13 56.263 . . 1 . . . . . . . . 5999 1 804 . 1 1 78 78 LYS HA H 1 4.547 . . 1 . . . . . . . . 5999 1 805 . 1 1 78 78 LYS CB C 13 32.803 . . 1 . . . . . . . . 5999 1 806 . 1 1 78 78 LYS HB3 H 1 1.492 . . 2 . . . . . . . . 5999 1 807 . 1 1 78 78 LYS HB2 H 1 1.678 . . 2 . . . . . . . . 5999 1 808 . 1 1 78 78 LYS CG C 13 25.520 . . 1 . . . . . . . . 5999 1 809 . 1 1 78 78 LYS HG3 H 1 1.336 . . 2 . . . . . . . . 5999 1 810 . 1 1 78 78 LYS HG2 H 1 1.156 . . 2 . . . . . . . . 5999 1 811 . 1 1 78 78 LYS CD C 13 29.297 . . 1 . . . . . . . . 5999 1 812 . 1 1 78 78 LYS HD2 H 1 1.490 . . 1 . . . . . . . . 5999 1 813 . 1 1 78 78 LYS CE C 13 41.971 . . 1 . . . . . . . . 5999 1 814 . 1 1 78 78 LYS HE2 H 1 2.845 . . 1 . . . . . . . . 5999 1 815 . 1 1 79 79 VAL N N 15 121.962 . . 1 . . . . . . . . 5999 1 816 . 1 1 79 79 VAL H H 1 8.667 . . 1 . . . . . . . . 5999 1 817 . 1 1 79 79 VAL CA C 13 59.499 . . 1 . . . . . . . . 5999 1 818 . 1 1 79 79 VAL HA H 1 4.670 . . 1 . . . . . . . . 5999 1 819 . 1 1 79 79 VAL CB C 13 35.499 . . 1 . . . . . . . . 5999 1 820 . 1 1 79 79 VAL HB H 1 2.076 . . 1 . . . . . . . . 5999 1 821 . 1 1 79 79 VAL CG2 C 13 20.128 . . 1 . . . . . . . . 5999 1 822 . 1 1 79 79 VAL HG21 H 1 0.690 . . 1 . . . . . . . . 5999 1 823 . 1 1 79 79 VAL HG22 H 1 0.690 . . 1 . . . . . . . . 5999 1 824 . 1 1 79 79 VAL HG23 H 1 0.690 . . 1 . . . . . . . . 5999 1 825 . 1 1 79 79 VAL CG1 C 13 22.016 . . 1 . . . . . . . . 5999 1 826 . 1 1 79 79 VAL HG11 H 1 0.848 . . 1 . . . . . . . . 5999 1 827 . 1 1 79 79 VAL HG12 H 1 0.848 . . 1 . . . . . . . . 5999 1 828 . 1 1 79 79 VAL HG13 H 1 0.848 . . 1 . . . . . . . . 5999 1 829 . 1 1 80 80 THR N N 15 111.256 . . 1 . . . . . . . . 5999 1 830 . 1 1 80 80 THR H H 1 8.214 . . 1 . . . . . . . . 5999 1 831 . 1 1 80 80 THR CA C 13 60.309 . . 1 . . . . . . . . 5999 1 832 . 1 1 80 80 THR HA H 1 5.386 . . 1 . . . . . . . . 5999 1 833 . 1 1 80 80 THR CB C 13 71.500 . . 1 . . . . . . . . 5999 1 834 . 1 1 80 80 THR HB H 1 4.550 . . 1 . . . . . . . . 5999 1 835 . 1 1 80 80 THR CG2 C 13 22.016 . . 1 . . . . . . . . 5999 1 836 . 1 1 80 80 THR HG21 H 1 1.108 . . 1 . . . . . . . . 5999 1 837 . 1 1 80 80 THR HG22 H 1 1.108 . . 1 . . . . . . . . 5999 1 838 . 1 1 80 80 THR HG23 H 1 1.108 . . 1 . . . . . . . . 5999 1 839 . 1 1 81 81 ILE N N 15 121.248 . . 1 . . . . . . . . 5999 1 840 . 1 1 81 81 ILE H H 1 8.539 . . 1 . . . . . . . . 5999 1 841 . 1 1 81 81 ILE CA C 13 64.559 . . 1 . . . . . . . . 5999 1 842 . 1 1 81 81 ILE HA H 1 3.869 . . 1 . . . . . . . . 5999 1 843 . 1 1 81 81 ILE CB C 13 36.570 . . 1 . . . . . . . . 5999 1 844 . 1 1 81 81 ILE HB H 1 2.312 . . 1 . . . . . . . . 5999 1 845 . 1 1 81 81 ILE CG1 C 13 27.844 . . 1 . . . . . . . . 5999 1 846 . 1 1 81 81 ILE HG13 H 1 1.316 . . 2 . . . . . . . . 5999 1 847 . 1 1 81 81 ILE HG12 H 1 1.507 . . 2 . . . . . . . . 5999 1 848 . 1 1 81 81 ILE CD1 C 13 12.260 . . 1 . . . . . . . . 5999 1 849 . 1 1 81 81 ILE HD11 H 1 0.630 . . 1 . . . . . . . . 5999 1 850 . 1 1 81 81 ILE HD12 H 1 0.630 . . 1 . . . . . . . . 5999 1 851 . 1 1 81 81 ILE HD13 H 1 0.630 . . 1 . . . . . . . . 5999 1 852 . 1 1 81 81 ILE CG2 C 13 17.430 . . 1 . . . . . . . . 5999 1 853 . 1 1 81 81 ILE HG21 H 1 1.015 . . 1 . . . . . . . . 5999 1 854 . 1 1 81 81 ILE HG22 H 1 1.015 . . 1 . . . . . . . . 5999 1 855 . 1 1 81 81 ILE HG23 H 1 1.015 . . 1 . . . . . . . . 5999 1 856 . 1 1 82 82 ALA N N 15 117.204 . . 1 . . . . . . . . 5999 1 857 . 1 1 82 82 ALA H H 1 7.731 . . 1 . . . . . . . . 5999 1 858 . 1 1 82 82 ALA CA C 13 55.990 . . 1 . . . . . . . . 5999 1 859 . 1 1 82 82 ALA HA H 1 4.180 . . 1 . . . . . . . . 5999 1 860 . 1 1 82 82 ALA CB C 13 18.510 . . 1 . . . . . . . . 5999 1 861 . 1 1 82 82 ALA HB1 H 1 1.347 . . 1 . . . . . . . . 5999 1 862 . 1 1 82 82 ALA HB2 H 1 1.347 . . 1 . . . . . . . . 5999 1 863 . 1 1 82 82 ALA HB3 H 1 1.347 . . 1 . . . . . . . . 5999 1 864 . 1 1 83 83 SER N N 15 116.728 . . 1 . . . . . . . . 5999 1 865 . 1 1 83 83 SER H H 1 8.461 . . 1 . . . . . . . . 5999 1 866 . 1 1 83 83 SER CA C 13 61.920 . . 1 . . . . . . . . 5999 1 867 . 1 1 83 83 SER HA H 1 4.280 . . 1 . . . . . . . . 5999 1 868 . 1 1 83 83 SER CB C 13 63.005 . . 1 . . . . . . . . 5999 1 869 . 1 1 83 83 SER HB3 H 1 3.905 . . 2 . . . . . . . . 5999 1 870 . 1 1 83 83 SER HB2 H 1 4.004 . . 2 . . . . . . . . 5999 1 871 . 1 1 84 84 TYR N N 15 125.293 . . 1 . . . . . . . . 5999 1 872 . 1 1 84 84 TYR H H 1 8.980 . . 1 . . . . . . . . 5999 1 873 . 1 1 84 84 TYR CA C 13 61.387 . . 1 . . . . . . . . 5999 1 874 . 1 1 84 84 TYR HA H 1 4.125 . . 1 . . . . . . . . 5999 1 875 . 1 1 84 84 TYR CB C 13 38.350 . . 1 . . . . . . . . 5999 1 876 . 1 1 84 84 TYR HB3 H 1 3.110 . . 2 . . . . . . . . 5999 1 877 . 1 1 84 84 TYR HB2 H 1 3.313 . . 2 . . . . . . . . 5999 1 878 . 1 1 84 84 TYR CD1 C 13 134.066 . . 1 . . . . . . . . 5999 1 879 . 1 1 84 84 TYR HD1 H 1 6.445 . . 1 . . . . . . . . 5999 1 880 . 1 1 84 84 TYR CE1 C 13 118.530 . . 1 . . . . . . . . 5999 1 881 . 1 1 84 84 TYR HE1 H 1 5.930 . . 1 . . . . . . . . 5999 1 882 . 1 1 85 85 PHE N N 15 118.869 . . 1 . . . . . . . . 5999 1 883 . 1 1 85 85 PHE H H 1 8.197 . . 1 . . . . . . . . 5999 1 884 . 1 1 85 85 PHE CA C 13 65.088 . . 1 . . . . . . . . 5999 1 885 . 1 1 85 85 PHE HA H 1 3.621 . . 1 . . . . . . . . 5999 1 886 . 1 1 85 85 PHE CB C 13 37.656 . . 1 . . . . . . . . 5999 1 887 . 1 1 85 85 PHE HB3 H 1 4.310 . . 2 . . . . . . . . 5999 1 888 . 1 1 85 85 PHE HB2 H 1 2.866 . . 2 . . . . . . . . 5999 1 889 . 1 1 85 85 PHE CD1 C 13 132.372 . . 1 . . . . . . . . 5999 1 890 . 1 1 85 85 PHE HD1 H 1 7.679 . . 1 . . . . . . . . 5999 1 891 . 1 1 85 85 PHE CE1 C 13 133.219 . . 1 . . . . . . . . 5999 1 892 . 1 1 85 85 PHE HE1 H 1 7.149 . . 1 . . . . . . . . 5999 1 893 . 1 1 85 85 PHE CZ C 13 130.960 . . 1 . . . . . . . . 5999 1 894 . 1 1 85 85 PHE HZ H 1 7.482 . . 1 . . . . . . . . 5999 1 895 . 1 1 86 86 HIS N N 15 119.821 . . 1 . . . . . . . . 5999 1 896 . 1 1 86 86 HIS H H 1 8.120 . . 1 . . . . . . . . 5999 1 897 . 1 1 86 86 HIS CA C 13 61.387 . . 1 . . . . . . . . 5999 1 898 . 1 1 86 86 HIS HA H 1 3.652 . . 1 . . . . . . . . 5999 1 899 . 1 1 86 86 HIS CB C 13 31.454 . . 1 . . . . . . . . 5999 1 900 . 1 1 86 86 HIS HB2 H 1 3.284 . . 2 . . . . . . . . 5999 1 901 . 1 1 86 86 HIS HD2 H 1 6.931 . . 2 . . . . . . . . 5999 1 902 . 1 1 87 87 SER N N 15 116.252 . . 1 . . . . . . . . 5999 1 903 . 1 1 87 87 SER H H 1 8.771 . . 1 . . . . . . . . 5999 1 904 . 1 1 87 87 SER CA C 13 61.650 . . 1 . . . . . . . . 5999 1 905 . 1 1 87 87 SER HA H 1 4.215 . . 1 . . . . . . . . 5999 1 906 . 1 1 87 87 SER CB C 13 63.195 . . 1 . . . . . . . . 5999 1 907 . 1 1 87 87 SER HB3 H 1 3.920 . . 2 . . . . . . . . 5999 1 908 . 1 1 87 87 SER HB2 H 1 4.043 . . 2 . . . . . . . . 5999 1 909 . 1 1 88 88 ARG N N 15 121.010 . . 1 . . . . . . . . 5999 1 910 . 1 1 88 88 ARG H H 1 7.043 . . 1 . . . . . . . . 5999 1 911 . 1 1 88 88 ARG CA C 13 55.724 . . 1 . . . . . . . . 5999 1 912 . 1 1 88 88 ARG HA H 1 4.200 . . 1 . . . . . . . . 5999 1 913 . 1 1 88 88 ARG CB C 13 29.028 . . 1 . . . . . . . . 5999 1 914 . 1 1 88 88 ARG HB3 H 1 1.125 . . 2 . . . . . . . . 5999 1 915 . 1 1 88 88 ARG HB2 H 1 1.830 . . 2 . . . . . . . . 5999 1 916 . 1 1 88 88 ARG CG C 13 26.600 . . 1 . . . . . . . . 5999 1 917 . 1 1 88 88 ARG HG3 H 1 0.824 . . 2 . . . . . . . . 5999 1 918 . 1 1 88 88 ARG HG2 H 1 0.973 . . 2 . . . . . . . . 5999 1 919 . 1 1 88 88 ARG CD C 13 42.780 . . 1 . . . . . . . . 5999 1 920 . 1 1 88 88 ARG HD3 H 1 2.305 . . 2 . . . . . . . . 5999 1 921 . 1 1 88 88 ARG HD2 H 1 1.795 . . 2 . . . . . . . . 5999 1 922 . 1 1 89 89 ASN N N 15 111.732 . . 1 . . . . . . . . 5999 1 923 . 1 1 89 89 ASN H H 1 7.908 . . 1 . . . . . . . . 5999 1 924 . 1 1 89 89 ASN CA C 13 54.376 . . 1 . . . . . . . . 5999 1 925 . 1 1 89 89 ASN HA H 1 4.320 . . 1 . . . . . . . . 5999 1 926 . 1 1 89 89 ASN CB C 13 37.117 . . 1 . . . . . . . . 5999 1 927 . 1 1 89 89 ASN HB3 H 1 2.836 . . 2 . . . . . . . . 5999 1 928 . 1 1 89 89 ASN HB2 H 1 3.125 . . 2 . . . . . . . . 5999 1 929 . 1 1 90 90 TYR N N 15 118.631 . . 1 . . . . . . . . 5999 1 930 . 1 1 90 90 TYR H H 1 8.271 . . 1 . . . . . . . . 5999 1 931 . 1 1 90 90 TYR CA C 13 57.073 . . 1 . . . . . . . . 5999 1 932 . 1 1 90 90 TYR HA H 1 4.568 . . 1 . . . . . . . . 5999 1 933 . 1 1 90 90 TYR CB C 13 39.540 . . 1 . . . . . . . . 5999 1 934 . 1 1 90 90 TYR HB3 H 1 2.469 . . 2 . . . . . . . . 5999 1 935 . 1 1 90 90 TYR HB2 H 1 3.259 . . 2 . . . . . . . . 5999 1 936 . 1 1 90 90 TYR CD1 C 13 135.478 . . 1 . . . . . . . . 5999 1 937 . 1 1 90 90 TYR HD1 H 1 7.163 . . 1 . . . . . . . . 5999 1 938 . 1 1 90 90 TYR CE1 C 13 118.818 . . 1 . . . . . . . . 5999 1 939 . 1 1 90 90 TYR HE1 H 1 6.633 . . 1 . . . . . . . . 5999 1 940 . 1 1 91 91 PRO CA C 13 62.100 . . 1 . . . . . . . . 5999 1 941 . 1 1 91 91 PRO HA H 1 4.152 . . 1 . . . . . . . . 5999 1 942 . 1 1 91 91 PRO CB C 13 31.450 . . 1 . . . . . . . . 5999 1 943 . 1 1 91 91 PRO HB3 H 1 1.552 . . 2 . . . . . . . . 5999 1 944 . 1 1 91 91 PRO HB2 H 1 1.780 . . 2 . . . . . . . . 5999 1 945 . 1 1 91 91 PRO CG C 13 27.940 . . 1 . . . . . . . . 5999 1 946 . 1 1 91 91 PRO HG3 H 1 1.752 . . 2 . . . . . . . . 5999 1 947 . 1 1 91 91 PRO HG2 H 1 1.481 . . 2 . . . . . . . . 5999 1 948 . 1 1 91 91 PRO CD C 13 49.250 . . 1 . . . . . . . . 5999 1 949 . 1 1 91 91 PRO HD3 H 1 3.171 . . 2 . . . . . . . . 5999 1 950 . 1 1 91 91 PRO HD2 H 1 3.076 . . 2 . . . . . . . . 5999 1 951 . 1 1 92 92 LEU N N 15 124.700 . . 1 . . . . . . . . 5999 1 952 . 1 1 92 92 LEU H H 1 8.990 . . 1 . . . . . . . . 5999 1 953 . 1 1 92 92 LEU CA C 13 54.910 . . 1 . . . . . . . . 5999 1 954 . 1 1 92 92 LEU HA H 1 3.936 . . 1 . . . . . . . . 5999 1 955 . 1 1 92 92 LEU CB C 13 40.350 . . 1 . . . . . . . . 5999 1 956 . 1 1 92 92 LEU HB3 H 1 1.348 . . 2 . . . . . . . . 5999 1 957 . 1 1 92 92 LEU HB2 H 1 1.321 . . 2 . . . . . . . . 5999 1 958 . 1 1 92 92 LEU CG C 13 27.316 . . 1 . . . . . . . . 5999 1 959 . 1 1 92 92 LEU HG H 1 1.845 . . 1 . . . . . . . . 5999 1 960 . 1 1 92 92 LEU CD1 C 13 25.990 . . 1 . . . . . . . . 5999 1 961 . 1 1 92 92 LEU HD11 H 1 0.678 . . 1 . . . . . . . . 5999 1 962 . 1 1 92 92 LEU HD12 H 1 0.678 . . 1 . . . . . . . . 5999 1 963 . 1 1 92 92 LEU HD13 H 1 0.678 . . 1 . . . . . . . . 5999 1 964 . 1 1 92 92 LEU CD2 C 13 21.207 . . 1 . . . . . . . . 5999 1 965 . 1 1 92 92 LEU HD21 H 1 0.410 . . 1 . . . . . . . . 5999 1 966 . 1 1 92 92 LEU HD22 H 1 0.410 . . 1 . . . . . . . . 5999 1 967 . 1 1 92 92 LEU HD23 H 1 0.410 . . 1 . . . . . . . . 5999 1 968 . 1 1 93 93 LYS N N 15 127.430 . . 1 . . . . . . . . 5999 1 969 . 1 1 93 93 LYS H H 1 11.613 . . 1 . . . . . . . . 5999 1 970 . 1 1 93 93 LYS CA C 13 58.690 . . 1 . . . . . . . . 5999 1 971 . 1 1 93 93 LYS HA H 1 3.640 . . 1 . . . . . . . . 5999 1 972 . 1 1 93 93 LYS CB C 13 32.803 . . 1 . . . . . . . . 5999 1 973 . 1 1 93 93 LYS HB3 H 1 1.231 . . 2 . . . . . . . . 5999 1 974 . 1 1 93 93 LYS HB2 H 1 0.843 . . 2 . . . . . . . . 5999 1 975 . 1 1 93 93 LYS CG C 13 25.522 . . 1 . . . . . . . . 5999 1 976 . 1 1 93 93 LYS HG3 H 1 0.657 . . 2 . . . . . . . . 5999 1 977 . 1 1 93 93 LYS HG2 H 1 1.016 . . 2 . . . . . . . . 5999 1 978 . 1 1 93 93 LYS CD C 13 29.297 . . 1 . . . . . . . . 5999 1 979 . 1 1 93 93 LYS HD2 H 1 1.343 . . 1 . . . . . . . . 5999 1 980 . 1 1 93 93 LYS CE C 13 42.241 . . 1 . . . . . . . . 5999 1 981 . 1 1 93 93 LYS HE2 H 1 2.751 . . 1 . . . . . . . . 5999 1 982 . 1 1 94 94 PHE N N 15 115.301 . . 1 . . . . . . . . 5999 1 983 . 1 1 94 94 PHE H H 1 8.990 . . 1 . . . . . . . . 5999 1 984 . 1 1 94 94 PHE CA C 13 53.830 . . 1 . . . . . . . . 5999 1 985 . 1 1 94 94 PHE HA H 1 5.334 . . 1 . . . . . . . . 5999 1 986 . 1 1 94 94 PHE CB C 13 39.540 . . 1 . . . . . . . . 5999 1 987 . 1 1 94 94 PHE HB3 H 1 3.023 . . 2 . . . . . . . . 5999 1 988 . 1 1 94 94 PHE HB2 H 1 2.960 . . 2 . . . . . . . . 5999 1 989 . 1 1 94 94 PHE CD1 C 13 133.219 . . 1 . . . . . . . . 5999 1 990 . 1 1 94 94 PHE HD1 H 1 6.973 . . 1 . . . . . . . . 5999 1 991 . 1 1 94 94 PHE CE1 C 13 131.243 . . 1 . . . . . . . . 5999 1 992 . 1 1 94 94 PHE HE1 H 1 7.130 . . 1 . . . . . . . . 5999 1 993 . 1 1 95 95 PRO CA C 13 65.430 . . 1 . . . . . . . . 5999 1 994 . 1 1 95 95 PRO HA H 1 4.130 . . 1 . . . . . . . . 5999 1 995 . 1 1 95 95 PRO CB C 13 32.530 . . 1 . . . . . . . . 5999 1 996 . 1 1 95 95 PRO HB2 H 1 2.010 . . 1 . . . . . . . . 5999 1 997 . 1 1 95 95 PRO CG C 13 27.140 . . 1 . . . . . . . . 5999 1 998 . 1 1 95 95 PRO HG2 H 1 1.985 . . 1 . . . . . . . . 5999 1 999 . 1 1 95 95 PRO CD C 13 50.500 . . 1 . . . . . . . . 5999 1 1000 . 1 1 95 95 PRO HD3 H 1 3.210 . . 2 . . . . . . . . 5999 1 1001 . 1 1 95 95 PRO HD2 H 1 3.700 . . 2 . . . . . . . . 5999 1 1002 . 1 1 96 96 GLN N N 15 116.966 . . 1 . . . . . . . . 5999 1 1003 . 1 1 96 96 GLN H H 1 8.695 . . 1 . . . . . . . . 5999 1 1004 . 1 1 96 96 GLN CA C 13 55.450 . . 1 . . . . . . . . 5999 1 1005 . 1 1 96 96 GLN HA H 1 4.490 . . 1 . . . . . . . . 5999 1 1006 . 1 1 96 96 GLN CB C 13 26.870 . . 1 . . . . . . . . 5999 1 1007 . 1 1 96 96 GLN HB3 H 1 2.040 . . 2 . . . . . . . . 5999 1 1008 . 1 1 96 96 GLN HB2 H 1 2.140 . . 2 . . . . . . . . 5999 1 1009 . 1 1 96 96 GLN CG C 13 33.880 . . 1 . . . . . . . . 5999 1 1010 . 1 1 96 96 GLN HG3 H 1 2.513 . . 2 . . . . . . . . 5999 1 1011 . 1 1 96 96 GLN HG2 H 1 2.412 . . 2 . . . . . . . . 5999 1 1012 . 1 1 97 97 LEU N N 15 121.010 . . 1 . . . . . . . . 5999 1 1013 . 1 1 97 97 LEU H H 1 7.337 . . 1 . . . . . . . . 5999 1 1014 . 1 1 97 97 LEU CA C 13 54.522 . . 1 . . . . . . . . 5999 1 1015 . 1 1 97 97 LEU HA H 1 4.924 . . 1 . . . . . . . . 5999 1 1016 . 1 1 97 97 LEU CB C 13 42.780 . . 1 . . . . . . . . 5999 1 1017 . 1 1 97 97 LEU HB3 H 1 1.706 . . 2 . . . . . . . . 5999 1 1018 . 1 1 97 97 LEU HB2 H 1 2.050 . . 2 . . . . . . . . 5999 1 1019 . 1 1 97 97 LEU CG C 13 27.316 . . 1 . . . . . . . . 5999 1 1020 . 1 1 97 97 LEU HG H 1 1.802 . . 1 . . . . . . . . 5999 1 1021 . 1 1 97 97 LEU CD1 C 13 23.618 . . 2 . . . . . . . . 5999 1 1022 . 1 1 97 97 LEU HD11 H 1 0.760 . . 2 . . . . . . . . 5999 1 1023 . 1 1 97 97 LEU HD12 H 1 0.760 . . 2 . . . . . . . . 5999 1 1024 . 1 1 97 97 LEU HD13 H 1 0.760 . . 2 . . . . . . . . 5999 1 1025 . 1 1 97 97 LEU CD2 C 13 23.409 . . 2 . . . . . . . . 5999 1 1026 . 1 1 97 97 LEU HD21 H 1 0.800 . . 2 . . . . . . . . 5999 1 1027 . 1 1 97 97 LEU HD22 H 1 0.800 . . 2 . . . . . . . . 5999 1 1028 . 1 1 97 97 LEU HD23 H 1 0.800 . . 2 . . . . . . . . 5999 1 1029 . 1 1 98 98 HIS N N 15 123.628 . . 1 . . . . . . . . 5999 1 1030 . 1 1 98 98 HIS H H 1 7.485 . . 1 . . . . . . . . 5999 1 1031 . 1 1 98 98 HIS CA C 13 59.490 . . 1 . . . . . . . . 5999 1 1032 . 1 1 98 98 HIS HA H 1 4.210 . . 1 . . . . . . . . 5999 1 1033 . 1 1 98 98 HIS CB C 13 31.700 . . 1 . . . . . . . . 5999 1 1034 . 1 1 98 98 HIS HB3 H 1 2.433 . . 2 . . . . . . . . 5999 1 1035 . 1 1 98 98 HIS HB2 H 1 3.171 . . 2 . . . . . . . . 5999 1 1036 . 1 1 98 98 HIS HD2 H 1 6.824 . . 1 . . . . . . . . 5999 1 1037 . 1 1 98 98 HIS CE1 C 13 139.996 . . 1 . . . . . . . . 5999 1 1038 . 1 1 98 98 HIS HE1 H 1 7.799 . . 1 . . . . . . . . 5999 1 1039 . 1 1 99 99 CYS N N 15 116.252 . . 1 . . . . . . . . 5999 1 1040 . 1 1 99 99 CYS H H 1 8.471 . . 1 . . . . . . . . 5999 1 1041 . 1 1 99 99 CYS CA C 13 58.420 . . 1 . . . . . . . . 5999 1 1042 . 1 1 99 99 CYS HA H 1 4.650 . . 1 . . . . . . . . 5999 1 1043 . 1 1 99 99 CYS CB C 13 31.278 . . 1 . . . . . . . . 5999 1 1044 . 1 1 99 99 CYS HB3 H 1 2.310 . . 2 . . . . . . . . 5999 1 1045 . 1 1 99 99 CYS HB2 H 1 2.749 . . 2 . . . . . . . . 5999 1 1046 . 1 1 100 100 LEU N N 15 118.040 . . 1 . . . . . . . . 5999 1 1047 . 1 1 100 100 LEU H H 1 8.840 . . 1 . . . . . . . . 5999 1 1048 . 1 1 100 100 LEU CA C 13 54.786 . . 1 . . . . . . . . 5999 1 1049 . 1 1 100 100 LEU HA H 1 4.528 . . 1 . . . . . . . . 5999 1 1050 . 1 1 100 100 LEU CB C 13 42.636 . . 1 . . . . . . . . 5999 1 1051 . 1 1 100 100 LEU HB3 H 1 1.126 . . 2 . . . . . . . . 5999 1 1052 . 1 1 100 100 LEU HB2 H 1 1.663 . . 2 . . . . . . . . 5999 1 1053 . 1 1 100 100 LEU CG C 13 24.980 . . 1 . . . . . . . . 5999 1 1054 . 1 1 100 100 LEU HG H 1 1.289 . . 1 . . . . . . . . 5999 1 1055 . 1 1 100 100 LEU CD1 C 13 27.052 . . 2 . . . . . . . . 5999 1 1056 . 1 1 100 100 LEU HD11 H 1 0.920 . . 2 . . . . . . . . 5999 1 1057 . 1 1 100 100 LEU HD12 H 1 0.920 . . 2 . . . . . . . . 5999 1 1058 . 1 1 100 100 LEU HD13 H 1 0.920 . . 2 . . . . . . . . 5999 1 1059 . 1 1 100 100 LEU CD2 C 13 23.354 . . 2 . . . . . . . . 5999 1 1060 . 1 1 100 100 LEU HD21 H 1 0.690 . . 2 . . . . . . . . 5999 1 1061 . 1 1 100 100 LEU HD22 H 1 0.690 . . 2 . . . . . . . . 5999 1 1062 . 1 1 100 100 LEU HD23 H 1 0.690 . . 2 . . . . . . . . 5999 1 1063 . 1 1 101 101 ASN N N 15 121.486 . . 1 . . . . . . . . 5999 1 1064 . 1 1 101 101 ASN H H 1 8.772 . . 1 . . . . . . . . 5999 1 1065 . 1 1 101 101 ASN CA C 13 52.145 . . 1 . . . . . . . . 5999 1 1066 . 1 1 101 101 ASN HA H 1 5.170 . . 1 . . . . . . . . 5999 1 1067 . 1 1 101 101 ASN CB C 13 39.000 . . 1 . . . . . . . . 5999 1 1068 . 1 1 101 101 ASN HB3 H 1 1.901 . . 2 . . . . . . . . 5999 1 1069 . 1 1 101 101 ASN HB2 H 1 2.523 . . 2 . . . . . . . . 5999 1 1070 . 1 1 102 102 VAL N N 15 119.583 . . 1 . . . . . . . . 5999 1 1071 . 1 1 102 102 VAL H H 1 8.967 . . 1 . . . . . . . . 5999 1 1072 . 1 1 102 102 VAL CA C 13 59.769 . . 1 . . . . . . . . 5999 1 1073 . 1 1 102 102 VAL HA H 1 4.949 . . 1 . . . . . . . . 5999 1 1074 . 1 1 102 102 VAL CB C 13 33.340 . . 1 . . . . . . . . 5999 1 1075 . 1 1 102 102 VAL HB H 1 2.210 . . 1 . . . . . . . . 5999 1 1076 . 1 1 102 102 VAL CG2 C 13 18.864 . . 1 . . . . . . . . 5999 1 1077 . 1 1 102 102 VAL HG21 H 1 -0.080 . . 1 . . . . . . . . 5999 1 1078 . 1 1 102 102 VAL HG22 H 1 -0.080 . . 1 . . . . . . . . 5999 1 1079 . 1 1 102 102 VAL HG23 H 1 -0.080 . . 1 . . . . . . . . 5999 1 1080 . 1 1 102 102 VAL CG1 C 13 21.241 . . 1 . . . . . . . . 5999 1 1081 . 1 1 102 102 VAL HG11 H 1 0.480 . . 1 . . . . . . . . 5999 1 1082 . 1 1 102 102 VAL HG12 H 1 0.480 . . 1 . . . . . . . . 5999 1 1083 . 1 1 102 102 VAL HG13 H 1 0.480 . . 1 . . . . . . . . 5999 1 1084 . 1 1 103 103 GLY N N 15 108.639 . . 1 . . . . . . . . 5999 1 1085 . 1 1 103 103 GLY H H 1 8.293 . . 1 . . . . . . . . 5999 1 1086 . 1 1 103 103 GLY CA C 13 44.707 . . 1 . . . . . . . . 5999 1 1087 . 1 1 103 103 GLY HA3 H 1 4.118 . . 2 . . . . . . . . 5999 1 1088 . 1 1 103 103 GLY HA2 H 1 4.282 . . 2 . . . . . . . . 5999 1 1089 . 1 1 104 104 SER N N 15 116.490 . . 1 . . . . . . . . 5999 1 1090 . 1 1 104 104 SER H H 1 8.317 . . 1 . . . . . . . . 5999 1 1091 . 1 1 104 104 SER CA C 13 57.070 . . 1 . . . . . . . . 5999 1 1092 . 1 1 104 104 SER HA H 1 4.677 . . 1 . . . . . . . . 5999 1 1093 . 1 1 104 104 SER CB C 13 65.880 . . 1 . . . . . . . . 5999 1 1094 . 1 1 104 104 SER HB3 H 1 3.795 . . 2 . . . . . . . . 5999 1 1095 . 1 1 104 104 SER HB2 H 1 4.123 . . 2 . . . . . . . . 5999 1 1096 . 1 1 105 105 SER CA C 13 60.570 . . 1 . . . . . . . . 5999 1 1097 . 1 1 105 105 SER HA H 1 4.130 . . 1 . . . . . . . . 5999 1 1098 . 1 1 105 105 SER CB C 13 62.900 . . 1 . . . . . . . . 5999 1 1099 . 1 1 105 105 SER HB2 H 1 3.850 . . 1 . . . . . . . . 5999 1 1100 . 1 1 106 106 ILE N N 15 116.728 . . 1 . . . . . . . . 5999 1 1101 . 1 1 106 106 ILE H H 1 7.617 . . 1 . . . . . . . . 5999 1 1102 . 1 1 106 106 ILE CA C 13 62.180 . . 1 . . . . . . . . 5999 1 1103 . 1 1 106 106 ILE HA H 1 4.140 . . 1 . . . . . . . . 5999 1 1104 . 1 1 106 106 ILE CB C 13 39.202 . . 1 . . . . . . . . 5999 1 1105 . 1 1 106 106 ILE HB H 1 1.800 . . 1 . . . . . . . . 5999 1 1106 . 1 1 106 106 ILE CG1 C 13 27.670 . . 1 . . . . . . . . 5999 1 1107 . 1 1 106 106 ILE HG13 H 1 1.084 . . 1 . . . . . . . . 5999 1 1108 . 1 1 106 106 ILE HG12 H 1 1.290 . . 1 . . . . . . . . 5999 1 1109 . 1 1 106 106 ILE CD1 C 13 13.380 . . 1 . . . . . . . . 5999 1 1110 . 1 1 106 106 ILE HD11 H 1 0.770 . . 1 . . . . . . . . 5999 1 1111 . 1 1 106 106 ILE HD12 H 1 0.770 . . 1 . . . . . . . . 5999 1 1112 . 1 1 106 106 ILE HD13 H 1 0.770 . . 1 . . . . . . . . 5999 1 1113 . 1 1 106 106 ILE CG2 C 13 17.900 . . 1 . . . . . . . . 5999 1 1114 . 1 1 106 106 ILE HG21 H 1 0.820 . . 1 . . . . . . . . 5999 1 1115 . 1 1 106 106 ILE HG22 H 1 0.820 . . 1 . . . . . . . . 5999 1 1116 . 1 1 106 106 ILE HG23 H 1 0.820 . . 1 . . . . . . . . 5999 1 1117 . 1 1 107 107 LYS N N 15 122.676 . . 1 . . . . . . . . 5999 1 1118 . 1 1 107 107 LYS H H 1 7.425 . . 1 . . . . . . . . 5999 1 1119 . 1 1 107 107 LYS CA C 13 55.720 . . 1 . . . . . . . . 5999 1 1120 . 1 1 107 107 LYS HA H 1 4.427 . . 1 . . . . . . . . 5999 1 1121 . 1 1 107 107 LYS CB C 13 33.612 . . 1 . . . . . . . . 5999 1 1122 . 1 1 107 107 LYS HB3 H 1 1.581 . . 2 . . . . . . . . 5999 1 1123 . 1 1 107 107 LYS HB2 H 1 1.739 . . 2 . . . . . . . . 5999 1 1124 . 1 1 107 107 LYS CG C 13 24.982 . . 1 . . . . . . . . 5999 1 1125 . 1 1 107 107 LYS HG3 H 1 1.232 . . 2 . . . . . . . . 5999 1 1126 . 1 1 107 107 LYS HG2 H 1 1.295 . . 2 . . . . . . . . 5999 1 1127 . 1 1 107 107 LYS CD C 13 29.297 . . 1 . . . . . . . . 5999 1 1128 . 1 1 107 107 LYS HD2 H 1 1.620 . . 1 . . . . . . . . 5999 1 1129 . 1 1 107 107 LYS CE C 13 42.240 . . 1 . . . . . . . . 5999 1 1130 . 1 1 107 107 LYS HE2 H 1 2.880 . . 1 . . . . . . . . 5999 1 1131 . 1 1 108 108 SER N N 15 121.486 . . 1 . . . . . . . . 5999 1 1132 . 1 1 108 108 SER H H 1 8.447 . . 1 . . . . . . . . 5999 1 1133 . 1 1 108 108 SER CA C 13 58.690 . . 1 . . . . . . . . 5999 1 1134 . 1 1 108 108 SER HA H 1 4.580 . . 1 . . . . . . . . 5999 1 1135 . 1 1 108 108 SER CB C 13 63.950 . . 1 . . . . . . . . 5999 1 1136 . 1 1 108 108 SER HB2 H 1 3.637 . . 1 . . . . . . . . 5999 1 1137 . 1 1 109 109 ILE N N 15 122.914 . . 1 . . . . . . . . 5999 1 1138 . 1 1 109 109 ILE H H 1 7.913 . . 1 . . . . . . . . 5999 1 1139 . 1 1 109 109 ILE CA C 13 61.380 . . 1 . . . . . . . . 5999 1 1140 . 1 1 109 109 ILE HA H 1 3.990 . . 1 . . . . . . . . 5999 1 1141 . 1 1 109 109 ILE CB C 13 40.520 . . 1 . . . . . . . . 5999 1 1142 . 1 1 109 109 ILE HB H 1 1.300 . . 1 . . . . . . . . 5999 1 1143 . 1 1 109 109 ILE CG1 C 13 27.050 . . 1 . . . . . . . . 5999 1 1144 . 1 1 109 109 ILE HG13 H 1 0.793 . . 1 . . . . . . . . 5999 1 1145 . 1 1 109 109 ILE HG12 H 1 1.261 . . 1 . . . . . . . . 5999 1 1146 . 1 1 109 109 ILE CD1 C 13 17.160 . . 1 . . . . . . . . 5999 1 1147 . 1 1 109 109 ILE HD11 H 1 0.338 . . 1 . . . . . . . . 5999 1 1148 . 1 1 109 109 ILE HD12 H 1 0.338 . . 1 . . . . . . . . 5999 1 1149 . 1 1 109 109 ILE HD13 H 1 0.338 . . 1 . . . . . . . . 5999 1 1150 . 1 1 109 109 ILE CG2 C 13 14.190 . . 1 . . . . . . . . 5999 1 1151 . 1 1 109 109 ILE HG21 H 1 0.676 . . 1 . . . . . . . . 5999 1 1152 . 1 1 109 109 ILE HG22 H 1 0.676 . . 1 . . . . . . . . 5999 1 1153 . 1 1 109 109 ILE HG23 H 1 0.676 . . 1 . . . . . . . . 5999 1 1154 . 1 1 110 110 LEU N N 15 124.817 . . 1 . . . . . . . . 5999 1 1155 . 1 1 110 110 LEU H H 1 8.110 . . 1 . . . . . . . . 5999 1 1156 . 1 1 110 110 LEU CA C 13 52.930 . . 1 . . . . . . . . 5999 1 1157 . 1 1 110 110 LEU HA H 1 5.196 . . 1 . . . . . . . . 5999 1 1158 . 1 1 110 110 LEU CB C 13 43.580 . . 1 . . . . . . . . 5999 1 1159 . 1 1 110 110 LEU HB3 H 1 0.790 . . 2 . . . . . . . . 5999 1 1160 . 1 1 110 110 LEU HB2 H 1 1.673 . . 2 . . . . . . . . 5999 1 1161 . 1 1 110 110 LEU CG C 13 27.140 . . 1 . . . . . . . . 5999 1 1162 . 1 1 110 110 LEU HG H 1 1.525 . . 1 . . . . . . . . 5999 1 1163 . 1 1 110 110 LEU CD2 C 13 24.170 . . 1 . . . . . . . . 5999 1 1164 . 1 1 110 110 LEU HD21 H 1 0.630 . . 1 . . . . . . . . 5999 1 1165 . 1 1 110 110 LEU HD22 H 1 0.630 . . 1 . . . . . . . . 5999 1 1166 . 1 1 110 110 LEU HD23 H 1 0.630 . . 1 . . . . . . . . 5999 1 1167 . 1 1 110 110 LEU CD1 C 13 26.600 . . 1 . . . . . . . . 5999 1 1168 . 1 1 110 110 LEU HD11 H 1 0.777 . . 1 . . . . . . . . 5999 1 1169 . 1 1 110 110 LEU HD12 H 1 0.777 . . 1 . . . . . . . . 5999 1 1170 . 1 1 110 110 LEU HD13 H 1 0.777 . . 1 . . . . . . . . 5999 1 1171 . 1 1 111 111 LEU N N 15 117.918 . . 1 . . . . . . . . 5999 1 1172 . 1 1 111 111 LEU H H 1 8.693 . . 1 . . . . . . . . 5999 1 1173 . 1 1 111 111 LEU CA C 13 50.559 . . 1 . . . . . . . . 5999 1 1174 . 1 1 111 111 LEU HA H 1 4.780 . . 1 . . . . . . . . 5999 1 1175 . 1 1 111 111 LEU CB C 13 44.930 . . 1 . . . . . . . . 5999 1 1176 . 1 1 111 111 LEU HB3 H 1 0.602 . . 2 . . . . . . . . 5999 1 1177 . 1 1 111 111 LEU HB2 H 1 1.190 . . 2 . . . . . . . . 5999 1 1178 . 1 1 111 111 LEU CG C 13 25.730 . . 1 . . . . . . . . 5999 1 1179 . 1 1 111 111 LEU HG H 1 0.950 . . 1 . . . . . . . . 5999 1 1180 . 1 1 111 111 LEU CD1 C 13 27.840 . . 1 . . . . . . . . 5999 1 1181 . 1 1 111 111 LEU HD11 H 1 0.160 . . 1 . . . . . . . . 5999 1 1182 . 1 1 111 111 LEU HD12 H 1 0.160 . . 1 . . . . . . . . 5999 1 1183 . 1 1 111 111 LEU HD13 H 1 0.160 . . 1 . . . . . . . . 5999 1 1184 . 1 1 111 111 LEU CD2 C 13 20.660 . . 1 . . . . . . . . 5999 1 1185 . 1 1 111 111 LEU HD21 H 1 -0.343 . . 1 . . . . . . . . 5999 1 1186 . 1 1 111 111 LEU HD22 H 1 -0.343 . . 1 . . . . . . . . 5999 1 1187 . 1 1 111 111 LEU HD23 H 1 -0.343 . . 1 . . . . . . . . 5999 1 1188 . 1 1 112 112 PRO CA C 13 62.460 . . 1 . . . . . . . . 5999 1 1189 . 1 1 112 112 PRO HA H 1 4.800 . . 1 . . . . . . . . 5999 1 1190 . 1 1 112 112 PRO CB C 13 32.500 . . 1 . . . . . . . . 5999 1 1191 . 1 1 112 112 PRO HB3 H 1 1.553 . . 2 . . . . . . . . 5999 1 1192 . 1 1 112 112 PRO HB2 H 1 2.100 . . 2 . . . . . . . . 5999 1 1193 . 1 1 112 112 PRO CG C 13 28.900 . . 1 . . . . . . . . 5999 1 1194 . 1 1 112 112 PRO HG2 H 1 1.300 . . 1 . . . . . . . . 5999 1 1195 . 1 1 112 112 PRO CD C 13 51.410 . . 1 . . . . . . . . 5999 1 1196 . 1 1 112 112 PRO HD3 H 1 3.300 . . 2 . . . . . . . . 5999 1 1197 . 1 1 112 112 PRO HD2 H 1 3.782 . . 2 . . . . . . . . 5999 1 1198 . 1 1 113 113 ILE N N 15 128.386 . . 1 . . . . . . . . 5999 1 1199 . 1 1 113 113 ILE H H 1 9.900 . . 1 . . . . . . . . 5999 1 1200 . 1 1 113 113 ILE CA C 13 66.780 . . 1 . . . . . . . . 5999 1 1201 . 1 1 113 113 ILE HA H 1 3.290 . . 1 . . . . . . . . 5999 1 1202 . 1 1 113 113 ILE CB C 13 38.670 . . 1 . . . . . . . . 5999 1 1203 . 1 1 113 113 ILE HB H 1 1.703 . . 1 . . . . . . . . 5999 1 1204 . 1 1 113 113 ILE CG1 C 13 31.990 . . 1 . . . . . . . . 5999 1 1205 . 1 1 113 113 ILE HG13 H 1 0.771 . . 1 . . . . . . . . 5999 1 1206 . 1 1 113 113 ILE HG12 H 1 1.930 . . 1 . . . . . . . . 5999 1 1207 . 1 1 113 113 ILE CD1 C 13 14.460 . . 1 . . . . . . . . 5999 1 1208 . 1 1 113 113 ILE HD11 H 1 0.760 . . 1 . . . . . . . . 5999 1 1209 . 1 1 113 113 ILE HD12 H 1 0.760 . . 1 . . . . . . . . 5999 1 1210 . 1 1 113 113 ILE HD13 H 1 0.760 . . 1 . . . . . . . . 5999 1 1211 . 1 1 113 113 ILE CG2 C 13 18.240 . . 1 . . . . . . . . 5999 1 1212 . 1 1 113 113 ILE HG21 H 1 0.733 . . 1 . . . . . . . . 5999 1 1213 . 1 1 113 113 ILE HG22 H 1 0.733 . . 1 . . . . . . . . 5999 1 1214 . 1 1 113 113 ILE HG23 H 1 0.733 . . 1 . . . . . . . . 5999 1 1215 . 1 1 114 114 GLU N N 15 114.349 . . 1 . . . . . . . . 5999 1 1216 . 1 1 114 114 GLU H H 1 9.212 . . 1 . . . . . . . . 5999 1 1217 . 1 1 114 114 GLU CA C 13 57.612 . . 1 . . . . . . . . 5999 1 1218 . 1 1 114 114 GLU HA H 1 4.530 . . 1 . . . . . . . . 5999 1 1219 . 1 1 114 114 GLU CB C 13 30.370 . . 1 . . . . . . . . 5999 1 1220 . 1 1 114 114 GLU HB3 H 1 2.505 . . 2 . . . . . . . . 5999 1 1221 . 1 1 114 114 GLU HB2 H 1 2.187 . . 2 . . . . . . . . 5999 1 1222 . 1 1 114 114 GLU CG C 13 36.840 . . 1 . . . . . . . . 5999 1 1223 . 1 1 114 114 GLU HG3 H 1 1.890 . . 2 . . . . . . . . 5999 1 1224 . 1 1 114 114 GLU HG2 H 1 2.038 . . 2 . . . . . . . . 5999 1 1225 . 1 1 115 115 LEU N N 15 120.059 . . 1 . . . . . . . . 5999 1 1226 . 1 1 115 115 LEU H H 1 7.135 . . 1 . . . . . . . . 5999 1 1227 . 1 1 115 115 LEU CA C 13 54.522 . . 1 . . . . . . . . 5999 1 1228 . 1 1 115 115 LEU HA H 1 4.753 . . 1 . . . . . . . . 5999 1 1229 . 1 1 115 115 LEU CB C 13 42.510 . . 1 . . . . . . . . 5999 1 1230 . 1 1 115 115 LEU HB3 H 1 1.555 . . 2 . . . . . . . . 5999 1 1231 . 1 1 115 115 LEU HB2 H 1 2.031 . . 2 . . . . . . . . 5999 1 1232 . 1 1 115 115 LEU HG H 1 1.231 . . 1 . . . . . . . . 5999 1 1233 . 1 1 115 115 LEU CD1 C 13 27.844 . . 1 . . . . . . . . 5999 1 1234 . 1 1 115 115 LEU HD11 H 1 0.589 . . 1 . . . . . . . . 5999 1 1235 . 1 1 115 115 LEU HD12 H 1 0.589 . . 1 . . . . . . . . 5999 1 1236 . 1 1 115 115 LEU HD13 H 1 0.589 . . 1 . . . . . . . . 5999 1 1237 . 1 1 115 115 LEU CD2 C 13 22.033 . . 1 . . . . . . . . 5999 1 1238 . 1 1 115 115 LEU HD21 H 1 0.592 . . 1 . . . . . . . . 5999 1 1239 . 1 1 115 115 LEU HD22 H 1 0.592 . . 1 . . . . . . . . 5999 1 1240 . 1 1 115 115 LEU HD23 H 1 0.592 . . 1 . . . . . . . . 5999 1 1241 . 1 1 116 116 CYS N N 15 115.538 . . 1 . . . . . . . . 5999 1 1242 . 1 1 116 116 CYS H H 1 7.786 . . 1 . . . . . . . . 5999 1 1243 . 1 1 116 116 CYS CA C 13 58.150 . . 1 . . . . . . . . 5999 1 1244 . 1 1 116 116 CYS HA H 1 5.875 . . 1 . . . . . . . . 5999 1 1245 . 1 1 116 116 CYS CB C 13 31.180 . . 1 . . . . . . . . 5999 1 1246 . 1 1 116 116 CYS HB3 H 1 2.270 . . 2 . . . . . . . . 5999 1 1247 . 1 1 116 116 CYS HB2 H 1 2.934 . . 2 . . . . . . . . 5999 1 1248 . 1 1 117 117 SER N N 15 116.966 . . 1 . . . . . . . . 5999 1 1249 . 1 1 117 117 SER H H 1 9.129 . . 1 . . . . . . . . 5999 1 1250 . 1 1 117 117 SER CA C 13 57.340 . . 1 . . . . . . . . 5999 1 1251 . 1 1 117 117 SER HA H 1 4.975 . . 1 . . . . . . . . 5999 1 1252 . 1 1 117 117 SER CB C 13 66.510 . . 1 . . . . . . . . 5999 1 1253 . 1 1 117 117 SER HB3 H 1 3.398 . . 2 . . . . . . . . 5999 1 1254 . 1 1 117 117 SER HB2 H 1 3.588 . . 2 . . . . . . . . 5999 1 1255 . 1 1 118 118 ILE N N 15 120.297 . . 1 . . . . . . . . 5999 1 1256 . 1 1 118 118 ILE H H 1 9.075 . . 1 . . . . . . . . 5999 1 1257 . 1 1 118 118 ILE CA C 13 59.805 . . 1 . . . . . . . . 5999 1 1258 . 1 1 118 118 ILE HA H 1 4.439 . . 1 . . . . . . . . 5999 1 1259 . 1 1 118 118 ILE CB C 13 40.523 . . 1 . . . . . . . . 5999 1 1260 . 1 1 118 118 ILE HB H 1 1.562 . . 1 . . . . . . . . 5999 1 1261 . 1 1 118 118 ILE CG1 C 13 28.480 . . 1 . . . . . . . . 5999 1 1262 . 1 1 118 118 ILE HG13 H 1 0.863 . . 2 . . . . . . . . 5999 1 1263 . 1 1 118 118 ILE HG12 H 1 1.212 . . 2 . . . . . . . . 5999 1 1264 . 1 1 118 118 ILE CD1 C 13 13.581 . . 1 . . . . . . . . 5999 1 1265 . 1 1 118 118 ILE HD11 H 1 0.215 . . 1 . . . . . . . . 5999 1 1266 . 1 1 118 118 ILE HD12 H 1 0.215 . . 1 . . . . . . . . 5999 1 1267 . 1 1 118 118 ILE HD13 H 1 0.215 . . 1 . . . . . . . . 5999 1 1268 . 1 1 118 118 ILE CG2 C 13 17.015 . . 1 . . . . . . . . 5999 1 1269 . 1 1 118 118 ILE HG21 H 1 0.584 . . 1 . . . . . . . . 5999 1 1270 . 1 1 118 118 ILE HG22 H 1 0.584 . . 1 . . . . . . . . 5999 1 1271 . 1 1 118 118 ILE HG23 H 1 0.584 . . 1 . . . . . . . . 5999 1 1272 . 1 1 119 119 GLU N N 15 127.400 . . 1 . . . . . . . . 5999 1 1273 . 1 1 119 119 GLU H H 1 8.616 . . 1 . . . . . . . . 5999 1 1274 . 1 1 119 119 GLU CA C 13 56.803 . . 1 . . . . . . . . 5999 1 1275 . 1 1 119 119 GLU HA H 1 4.184 . . 1 . . . . . . . . 5999 1 1276 . 1 1 119 119 GLU CB C 13 31.180 . . 1 . . . . . . . . 5999 1 1277 . 1 1 119 119 GLU HB3 H 1 1.612 . . 2 . . . . . . . . 5999 1 1278 . 1 1 119 119 GLU HB2 H 1 1.915 . . 2 . . . . . . . . 5999 1 1279 . 1 1 119 119 GLU CG C 13 36.840 . . 1 . . . . . . . . 5999 1 1280 . 1 1 119 119 GLU HG2 H 1 2.070 . . 1 . . . . . . . . 5999 1 1281 . 1 1 120 120 GLU N N 15 123.560 . . 1 . . . . . . . . 5999 1 1282 . 1 1 120 120 GLU H H 1 8.587 . . 1 . . . . . . . . 5999 1 1283 . 1 1 120 120 GLU CA C 13 57.880 . . 1 . . . . . . . . 5999 1 1284 . 1 1 120 120 GLU HA H 1 4.052 . . 1 . . . . . . . . 5999 1 1285 . 1 1 120 120 GLU CB C 13 30.640 . . 1 . . . . . . . . 5999 1 1286 . 1 1 120 120 GLU HB2 H 1 1.932 . . 1 . . . . . . . . 5999 1 1287 . 1 1 120 120 GLU CG C 13 36.570 . . 1 . . . . . . . . 5999 1 1288 . 1 1 120 120 GLU HG2 H 1 2.162 . . 1 . . . . . . . . 5999 1 1289 . 1 1 121 121 GLY N N 15 109.115 . . 1 . . . . . . . . 5999 1 1290 . 1 1 121 121 GLY H H 1 8.628 . . 1 . . . . . . . . 5999 1 1291 . 1 1 121 121 GLY CA C 13 46.134 . . 1 . . . . . . . . 5999 1 1292 . 1 1 121 121 GLY HA3 H 1 3.735 . . 2 . . . . . . . . 5999 1 1293 . 1 1 121 121 GLY HA2 H 1 3.950 . . 2 . . . . . . . . 5999 1 1294 . 1 1 122 122 GLN N N 15 118.869 . . 1 . . . . . . . . 5999 1 1295 . 1 1 122 122 GLN H H 1 7.920 . . 1 . . . . . . . . 5999 1 1296 . 1 1 122 122 GLN CA C 13 56.260 . . 1 . . . . . . . . 5999 1 1297 . 1 1 122 122 GLN HA H 1 4.193 . . 1 . . . . . . . . 5999 1 1298 . 1 1 122 122 GLN CB C 13 29.326 . . 1 . . . . . . . . 5999 1 1299 . 1 1 122 122 GLN HB3 H 1 1.950 . . 2 . . . . . . . . 5999 1 1300 . 1 1 122 122 GLN HB2 H 1 2.045 . . 2 . . . . . . . . 5999 1 1301 . 1 1 122 122 GLN CG C 13 34.420 . . 1 . . . . . . . . 5999 1 1302 . 1 1 122 122 GLN HG3 H 1 2.286 . . 2 . . . . . . . . 5999 1 1303 . 1 1 122 122 GLN HG2 H 1 2.200 . . 2 . . . . . . . . 5999 1 1304 . 1 1 123 123 ALA N N 15 123.152 . . 1 . . . . . . . . 5999 1 1305 . 1 1 123 123 ALA H H 1 8.219 . . 1 . . . . . . . . 5999 1 1306 . 1 1 123 123 ALA CA C 13 53.201 . . 1 . . . . . . . . 5999 1 1307 . 1 1 123 123 ALA HA H 1 4.070 . . 1 . . . . . . . . 5999 1 1308 . 1 1 123 123 ALA CB C 13 19.050 . . 1 . . . . . . . . 5999 1 1309 . 1 1 123 123 ALA HB1 H 1 1.265 . . 1 . . . . . . . . 5999 1 1310 . 1 1 123 123 ALA HB2 H 1 1.265 . . 1 . . . . . . . . 5999 1 1311 . 1 1 123 123 ALA HB3 H 1 1.265 . . 1 . . . . . . . . 5999 1 1312 . 1 1 124 124 LEU N N 15 118.869 . . 1 . . . . . . . . 5999 1 1313 . 1 1 124 124 LEU H H 1 7.953 . . 1 . . . . . . . . 5999 1 1314 . 1 1 124 124 LEU CA C 13 55.578 . . 1 . . . . . . . . 5999 1 1315 . 1 1 124 124 LEU HA H 1 4.159 . . 1 . . . . . . . . 5999 1 1316 . 1 1 124 124 LEU CB C 13 42.108 . . 1 . . . . . . . . 5999 1 1317 . 1 1 124 124 LEU HB3 H 1 1.382 . . 2 . . . . . . . . 5999 1 1318 . 1 1 124 124 LEU HB2 H 1 1.527 . . 2 . . . . . . . . 5999 1 1319 . 1 1 124 124 LEU CG C 13 27.316 . . 1 . . . . . . . . 5999 1 1320 . 1 1 124 124 LEU HG H 1 1.509 . . 1 . . . . . . . . 5999 1 1321 . 1 1 124 124 LEU CD1 C 13 25.731 . . 2 . . . . . . . . 5999 1 1322 . 1 1 124 124 LEU HD11 H 1 0.773 . . 2 . . . . . . . . 5999 1 1323 . 1 1 124 124 LEU HD12 H 1 0.773 . . 2 . . . . . . . . 5999 1 1324 . 1 1 124 124 LEU HD13 H 1 0.773 . . 2 . . . . . . . . 5999 1 1325 . 1 1 124 124 LEU CD2 C 13 23.354 . . 2 . . . . . . . . 5999 1 1326 . 1 1 124 124 LEU HD21 H 1 0.722 . . 2 . . . . . . . . 5999 1 1327 . 1 1 124 124 LEU HD22 H 1 0.722 . . 2 . . . . . . . . 5999 1 1328 . 1 1 124 124 LEU HD23 H 1 0.722 . . 2 . . . . . . . . 5999 1 1329 . 1 1 125 125 ASN N N 15 117.680 . . 1 . . . . . . . . 5999 1 1330 . 1 1 125 125 ASN H H 1 8.134 . . 1 . . . . . . . . 5999 1 1331 . 1 1 125 125 ASN CA C 13 53.201 . . 1 . . . . . . . . 5999 1 1332 . 1 1 125 125 ASN HA H 1 4.640 . . 1 . . . . . . . . 5999 1 1333 . 1 1 125 125 ASN CB C 13 38.410 . . 1 . . . . . . . . 5999 1 1334 . 1 1 125 125 ASN HB3 H 1 2.632 . . 2 . . . . . . . . 5999 1 1335 . 1 1 125 125 ASN HB2 H 1 2.793 . . 2 . . . . . . . . 5999 1 1336 . 1 1 126 126 ARG N N 15 120.297 . . 1 . . . . . . . . 5999 1 1337 . 1 1 126 126 ARG H H 1 7.984 . . 1 . . . . . . . . 5999 1 1338 . 1 1 126 126 ARG CA C 13 56.454 . . 1 . . . . . . . . 5999 1 1339 . 1 1 126 126 ARG HA H 1 4.271 . . 1 . . . . . . . . 5999 1 1340 . 1 1 126 126 ARG CB C 13 30.799 . . 1 . . . . . . . . 5999 1 1341 . 1 1 126 126 ARG HB2 H 1 1.527 . . 1 . . . . . . . . 5999 1 1342 . 1 1 126 126 ARG CG C 13 27.361 . . 1 . . . . . . . . 5999 1 1343 . 1 1 126 126 ARG HG3 H 1 1.616 . . 2 . . . . . . . . 5999 1 1344 . 1 1 126 126 ARG HG2 H 1 1.816 . . 2 . . . . . . . . 5999 1 1345 . 1 1 126 126 ARG CD C 13 43.280 . . 1 . . . . . . . . 5999 1 1346 . 1 1 126 126 ARG HD2 H 1 3.069 . . 1 . . . . . . . . 5999 1 1347 . 1 1 127 127 LYS N N 15 121.870 . . 1 . . . . . . . . 5999 1 1348 . 1 1 127 127 LYS H H 1 8.338 . . 1 . . . . . . . . 5999 1 1349 . 1 1 127 127 LYS CA C 13 56.673 . . 1 . . . . . . . . 5999 1 1350 . 1 1 127 127 LYS HA H 1 4.223 . . 1 . . . . . . . . 5999 1 1351 . 1 1 127 127 LYS CB C 13 32.631 . . 1 . . . . . . . . 5999 1 1352 . 1 1 127 127 LYS HB3 H 1 1.691 . . 2 . . . . . . . . 5999 1 1353 . 1 1 127 127 LYS HB2 H 1 1.742 . . 2 . . . . . . . . 5999 1 1354 . 1 1 127 127 LYS CG C 13 24.836 . . 1 . . . . . . . . 5999 1 1355 . 1 1 127 127 LYS HG2 H 1 1.550 . . 1 . . . . . . . . 5999 1 1356 . 1 1 127 127 LYS CD C 13 29.118 . . 1 . . . . . . . . 5999 1 1357 . 1 1 127 127 LYS HD2 H 1 1.338 . . 1 . . . . . . . . 5999 1 1358 . 1 1 127 127 LYS CE C 13 42.182 . . 1 . . . . . . . . 5999 1 1359 . 1 1 127 127 LYS HE2 H 1 2.892 . . 1 . . . . . . . . 5999 1 1360 . 1 1 128 128 ASP N N 15 120.450 . . 1 . . . . . . . . 5999 1 1361 . 1 1 128 128 ASP H H 1 8.332 . . 1 . . . . . . . . 5999 1 1362 . 1 1 128 128 ASP CA C 13 54.786 . . 1 . . . . . . . . 5999 1 1363 . 1 1 128 128 ASP HA H 1 4.529 . . 1 . . . . . . . . 5999 1 1364 . 1 1 128 128 ASP CB C 13 41.315 . . 1 . . . . . . . . 5999 1 1365 . 1 1 128 128 ASP HB2 H 1 2.610 . . 1 . . . . . . . . 5999 1 1366 . 1 1 129 129 GLY N N 15 109.030 . . 1 . . . . . . . . 5999 1 1367 . 1 1 129 129 GLY H H 1 8.298 . . 1 . . . . . . . . 5999 1 1368 . 1 1 129 129 GLY CA C 13 45.600 . . 1 . . . . . . . . 5999 1 1369 . 1 1 129 129 GLY HA2 H 1 3.870 . . 1 . . . . . . . . 5999 1 1370 . 1 1 130 130 ALA N N 15 123.152 . . 1 . . . . . . . . 5999 1 1371 . 1 1 130 130 ALA H H 1 8.132 . . 1 . . . . . . . . 5999 1 1372 . 1 1 130 130 ALA CA C 13 52.937 . . 1 . . . . . . . . 5999 1 1373 . 1 1 130 130 ALA HA H 1 4.285 . . 1 . . . . . . . . 5999 1 1374 . 1 1 130 130 ALA CB C 13 19.392 . . 1 . . . . . . . . 5999 1 1375 . 1 1 130 130 ALA HB1 H 1 1.329 . . 1 . . . . . . . . 5999 1 1376 . 1 1 130 130 ALA HB2 H 1 1.329 . . 1 . . . . . . . . 5999 1 1377 . 1 1 130 130 ALA HB3 H 1 1.329 . . 1 . . . . . . . . 5999 1 1378 . 1 1 131 131 THR N N 15 112.921 . . 1 . . . . . . . . 5999 1 1379 . 1 1 131 131 THR H H 1 8.046 . . 1 . . . . . . . . 5999 1 1380 . 1 1 131 131 THR CA C 13 62.604 . . 1 . . . . . . . . 5999 1 1381 . 1 1 131 131 THR HA H 1 4.180 . . 1 . . . . . . . . 5999 1 1382 . 1 1 131 131 THR CB C 13 69.550 . . 1 . . . . . . . . 5999 1 1383 . 1 1 131 131 THR HB H 1 4.130 . . 1 . . . . . . . . 5999 1 1384 . 1 1 131 131 THR CG2 C 13 21.762 . . 1 . . . . . . . . 5999 1 1385 . 1 1 131 131 THR HG21 H 1 1.120 . . 1 . . . . . . . . 5999 1 1386 . 1 1 131 131 THR HG22 H 1 1.120 . . 1 . . . . . . . . 5999 1 1387 . 1 1 131 131 THR HG23 H 1 1.120 . . 1 . . . . . . . . 5999 1 1388 . 1 1 132 132 GLN N N 15 122.200 . . 1 . . . . . . . . 5999 1 1389 . 1 1 132 132 GLN H H 1 8.235 . . 1 . . . . . . . . 5999 1 1390 . 1 1 132 132 GLN CA C 13 56.234 . . 1 . . . . . . . . 5999 1 1391 . 1 1 132 132 GLN HA H 1 4.314 . . 1 . . . . . . . . 5999 1 1392 . 1 1 132 132 GLN CB C 13 29.295 . . 1 . . . . . . . . 5999 1 1393 . 1 1 132 132 GLN HB2 H 1 2.020 . . 1 . . . . . . . . 5999 1 1394 . 1 1 132 132 GLN CG C 13 34.058 . . 1 . . . . . . . . 5999 1 1395 . 1 1 132 132 GLN HG2 H 1 2.273 . . 1 . . . . . . . . 5999 1 1396 . 1 1 133 133 VAL N N 15 120.920 . . 1 . . . . . . . . 5999 1 1397 . 1 1 133 133 VAL H H 1 8.062 . . 1 . . . . . . . . 5999 1 1398 . 1 1 133 133 VAL CA C 13 62.974 . . 1 . . . . . . . . 5999 1 1399 . 1 1 133 133 VAL HA H 1 3.961 . . 1 . . . . . . . . 5999 1 1400 . 1 1 133 133 VAL CB C 13 32.599 . . 1 . . . . . . . . 5999 1 1401 . 1 1 133 133 VAL HB H 1 1.989 . . 1 . . . . . . . . 5999 1 1402 . 1 1 133 133 VAL CG1 C 13 21.505 . . 1 . . . . . . . . 5999 1 1403 . 1 1 133 133 VAL HG11 H 1 0.838 . . 1 . . . . . . . . 5999 1 1404 . 1 1 133 133 VAL HG12 H 1 0.838 . . 1 . . . . . . . . 5999 1 1405 . 1 1 133 133 VAL HG13 H 1 0.838 . . 1 . . . . . . . . 5999 1 1406 . 1 1 134 134 ALA N N 15 125.769 . . 1 . . . . . . . . 5999 1 1407 . 1 1 134 134 ALA H H 1 8.278 . . 1 . . . . . . . . 5999 1 1408 . 1 1 134 134 ALA CA C 13 52.937 . . 1 . . . . . . . . 5999 1 1409 . 1 1 134 134 ALA HA H 1 4.180 . . 1 . . . . . . . . 5999 1 1410 . 1 1 134 134 ALA CB C 13 19.340 . . 1 . . . . . . . . 5999 1 1411 . 1 1 134 134 ALA HB1 H 1 1.311 . . 1 . . . . . . . . 5999 1 1412 . 1 1 134 134 ALA HB2 H 1 1.311 . . 1 . . . . . . . . 5999 1 1413 . 1 1 134 134 ALA HB3 H 1 1.311 . . 1 . . . . . . . . 5999 1 1414 . 1 1 135 135 ASN N N 15 116.728 . . 1 . . . . . . . . 5999 1 1415 . 1 1 135 135 ASN H H 1 8.232 . . 1 . . . . . . . . 5999 1 1416 . 1 1 135 135 ASN CA C 13 53.465 . . 1 . . . . . . . . 5999 1 1417 . 1 1 135 135 ASN HA H 1 4.529 . . 1 . . . . . . . . 5999 1 1418 . 1 1 135 135 ASN CB C 13 38.674 . . 1 . . . . . . . . 5999 1 1419 . 1 1 135 135 ASN HB2 H 1 2.723 . . 1 . . . . . . . . 5999 1 1420 . 1 1 136 136 MET N N 15 119.821 . . 1 . . . . . . . . 5999 1 1421 . 1 1 136 136 MET H H 1 8.100 . . 1 . . . . . . . . 5999 1 1422 . 1 1 136 136 MET CA C 13 56.000 . . 1 . . . . . . . . 5999 1 1423 . 1 1 136 136 MET HA H 1 4.341 . . 1 . . . . . . . . 5999 1 1424 . 1 1 136 136 MET CB C 13 32.731 . . 1 . . . . . . . . 5999 1 1425 . 1 1 136 136 MET HB3 H 1 1.970 . . 2 . . . . . . . . 5999 1 1426 . 1 1 136 136 MET HB2 H 1 2.399 . . 2 . . . . . . . . 5999 1 1427 . 1 1 136 136 MET CG C 13 31.972 . . 1 . . . . . . . . 5999 1 1428 . 1 1 136 136 MET HG2 H 1 2.551 . . 1 . . . . . . . . 5999 1 1429 . 1 1 137 137 ILE N N 15 121.486 . . 1 . . . . . . . . 5999 1 1430 . 1 1 137 137 ILE H H 1 7.971 . . 1 . . . . . . . . 5999 1 1431 . 1 1 137 137 ILE CA C 13 61.654 . . 1 . . . . . . . . 5999 1 1432 . 1 1 137 137 ILE HA H 1 3.920 . . 1 . . . . . . . . 5999 1 1433 . 1 1 137 137 ILE CB C 13 38.670 . . 1 . . . . . . . . 5999 1 1434 . 1 1 137 137 ILE HB H 1 1.705 . . 1 . . . . . . . . 5999 1 1435 . 1 1 137 137 ILE CG1 C 13 27.844 . . 1 . . . . . . . . 5999 1 1436 . 1 1 137 137 ILE HG13 H 1 1.040 . . 2 . . . . . . . . 5999 1 1437 . 1 1 137 137 ILE HG12 H 1 1.376 . . 2 . . . . . . . . 5999 1 1438 . 1 1 137 137 ILE CD1 C 13 13.053 . . 1 . . . . . . . . 5999 1 1439 . 1 1 137 137 ILE HD11 H 1 0.724 . . 1 . . . . . . . . 5999 1 1440 . 1 1 137 137 ILE HD12 H 1 0.724 . . 1 . . . . . . . . 5999 1 1441 . 1 1 137 137 ILE HD13 H 1 0.724 . . 1 . . . . . . . . 5999 1 1442 . 1 1 137 137 ILE CG2 C 13 17.543 . . 1 . . . . . . . . 5999 1 1443 . 1 1 137 137 ILE HG21 H 1 0.670 . . 1 . . . . . . . . 5999 1 1444 . 1 1 137 137 ILE HG22 H 1 0.670 . . 1 . . . . . . . . 5999 1 1445 . 1 1 137 137 ILE HG23 H 1 0.670 . . 1 . . . . . . . . 5999 1 1446 . 1 1 138 138 LYS N N 15 124.103 . . 1 . . . . . . . . 5999 1 1447 . 1 1 138 138 LYS H H 1 8.081 . . 1 . . . . . . . . 5999 1 1448 . 1 1 138 138 LYS CA C 13 56.133 . . 1 . . . . . . . . 5999 1 1449 . 1 1 138 138 LYS HA H 1 4.158 . . 1 . . . . . . . . 5999 1 1450 . 1 1 138 138 LYS CB C 13 32.806 . . 1 . . . . . . . . 5999 1 1451 . 1 1 138 138 LYS HB2 H 1 1.932 . . 1 . . . . . . . . 5999 1 1452 . 1 1 138 138 LYS CG C 13 25.056 . . 1 . . . . . . . . 5999 1 1453 . 1 1 138 138 LYS HG2 H 1 1.578 . . 1 . . . . . . . . 5999 1 1454 . 1 1 138 138 LYS CD C 13 29.008 . . 1 . . . . . . . . 5999 1 1455 . 1 1 138 138 LYS HD3 H 1 1.123 . . 2 . . . . . . . . 5999 1 1456 . 1 1 138 138 LYS HD2 H 1 1.224 . . 2 . . . . . . . . 5999 1 1457 . 1 1 138 138 LYS CE C 13 42.292 . . 1 . . . . . . . . 5999 1 1458 . 1 1 138 138 LYS HE2 H 1 2.867 . . 1 . . . . . . . . 5999 1 1459 . 1 1 139 139 TYR N N 15 120.772 . . 1 . . . . . . . . 5999 1 1460 . 1 1 139 139 TYR H H 1 8.080 . . 1 . . . . . . . . 5999 1 1461 . 1 1 139 139 TYR CA C 13 57.950 . . 1 . . . . . . . . 5999 1 1462 . 1 1 139 139 TYR HA H 1 4.445 . . 1 . . . . . . . . 5999 1 1463 . 1 1 139 139 TYR CB C 13 38.862 . . 1 . . . . . . . . 5999 1 1464 . 1 1 139 139 TYR HB3 H 1 2.810 . . 2 . . . . . . . . 5999 1 1465 . 1 1 139 139 TYR HB2 H 1 2.980 . . 2 . . . . . . . . 5999 1 1466 . 1 1 139 139 TYR HD1 H 1 7.033 . . 1 . . . . . . . . 5999 1 1467 . 1 1 139 139 TYR CE1 C 13 117.919 . . 1 . . . . . . . . 5999 1 1468 . 1 1 139 139 TYR HE1 H 1 6.719 . . 1 . . . . . . . . 5999 1 1469 . 1 1 140 140 ALA N N 15 125.200 . . 1 . . . . . . . . 5999 1 1470 . 1 1 140 140 ALA H H 1 8.040 . . 1 . . . . . . . . 5999 1 1471 . 1 1 140 140 ALA CA C 13 52.145 . . 1 . . . . . . . . 5999 1 1472 . 1 1 140 140 ALA HA H 1 4.214 . . 1 . . . . . . . . 5999 1 1473 . 1 1 140 140 ALA CB C 13 19.656 . . 1 . . . . . . . . 5999 1 1474 . 1 1 140 140 ALA HB1 H 1 1.265 . . 1 . . . . . . . . 5999 1 1475 . 1 1 140 140 ALA HB2 H 1 1.265 . . 1 . . . . . . . . 5999 1 1476 . 1 1 140 140 ALA HB3 H 1 1.265 . . 1 . . . . . . . . 5999 1 1477 . 1 1 141 141 ALA N N 15 123.152 . . 1 . . . . . . . . 5999 1 1478 . 1 1 141 141 ALA H H 1 8.166 . . 1 . . . . . . . . 5999 1 1479 . 1 1 141 141 ALA CA C 13 52.409 . . 1 . . . . . . . . 5999 1 1480 . 1 1 141 141 ALA HA H 1 4.285 . . 1 . . . . . . . . 5999 1 1481 . 1 1 141 141 ALA CB C 13 19.656 . . 1 . . . . . . . . 5999 1 1482 . 1 1 141 141 ALA HB1 H 1 1.315 . . 1 . . . . . . . . 5999 1 1483 . 1 1 141 141 ALA HB2 H 1 1.315 . . 1 . . . . . . . . 5999 1 1484 . 1 1 141 141 ALA HB3 H 1 1.315 . . 1 . . . . . . . . 5999 1 1485 . 1 1 142 142 THR N N 15 112.208 . . 1 . . . . . . . . 5999 1 1486 . 1 1 142 142 THR H H 1 8.071 . . 1 . . . . . . . . 5999 1 1487 . 1 1 142 142 THR CA C 13 61.524 . . 1 . . . . . . . . 5999 1 1488 . 1 1 142 142 THR HA H 1 4.300 . . 1 . . . . . . . . 5999 1 1489 . 1 1 142 142 THR CB C 13 69.900 . . 1 . . . . . . . . 5999 1 1490 . 1 1 142 142 THR HB H 1 4.240 . . 1 . . . . . . . . 5999 1 1491 . 1 1 142 142 THR CG2 C 13 21.543 . . 1 . . . . . . . . 5999 1 1492 . 1 1 142 142 THR HG21 H 1 1.125 . . 1 . . . . . . . . 5999 1 1493 . 1 1 142 142 THR HG22 H 1 1.125 . . 1 . . . . . . . . 5999 1 1494 . 1 1 142 142 THR HG23 H 1 1.125 . . 1 . . . . . . . . 5999 1 1495 . 1 1 143 143 SER N N 15 122.914 . . 1 . . . . . . . . 5999 1 1496 . 1 1 143 143 SER H H 1 7.896 . . 1 . . . . . . . . 5999 1 1497 . 1 1 143 143 SER CA C 13 59.971 . . 1 . . . . . . . . 5999 1 1498 . 1 1 143 143 SER HA H 1 4.199 . . 1 . . . . . . . . 5999 1 1499 . 1 1 143 143 SER CB C 13 64.710 . . 1 . . . . . . . . 5999 1 stop_ save_