data_17076 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17076 _Entry.Title ; An arsenate reductase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-24 _Entry.Accession_date 2010-07-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Caifang Yu . . . 17076 2 Bin Xia . . . 17076 3 Changwen Jin . . . 17076 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17076 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 519 17076 '15N chemical shifts' 133 17076 '1H chemical shifts' 839 17076 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-24 2010-07-27 update BMRB 'update entry citation' 17076 1 . . 2010-10-22 2010-07-27 original author 'original release' 17076 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17074 'SynArsC in PBS buffer' 17076 BMRB 17077 'Disulfide bound SynArsC' 17076 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17076 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20960080 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments of the arsenate reductase from Synechocystis sp. strain PCC 6803.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _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 85 _Citation.Page_last 87 _Citation.Year 2011 _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 Caifang Yu . . . 17076 1 2 Bin Xia . . . 17076 1 3 Changwen Jin . . . 17076 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17076 _Assembly.ID 1 _Assembly.Name SynArsC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14443.4 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SynArsC 1 $SynArsC A . yes native no no . . . 17076 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SynArsC _Entity.Sf_category entity _Entity.Sf_framecode SynArsC _Entity.Entry_ID 17076 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SynArsC _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 ; GSHMKKVMFVCKRNSCRSQM AEGFAKTLGAGKIAVTSCGL ESSRVHPTAIAMMEEVGIDI SGQTSDPIENFNADDYDVVI SLCGCGVNLPPEWVTQEIFE DWQLEDPDGQSLEVFRTVRG QVKERVENLIAKIS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17074 . SynArsC . . . . . 100.00 134 100.00 100.00 1.43e-93 . . . . 17076 1 2 no BMRB 17077 . SynArsC . . . . . 100.00 134 97.76 97.76 1.12e-90 . . . . 17076 1 3 no BMRB 25243 . entity . . . . . 97.76 131 97.71 97.71 7.19e-88 . . . . 17076 1 4 no PDB 2L17 . "An Arsenate Reductase In The Reduced State" . . . . . 100.00 134 100.00 100.00 1.43e-93 . . . . 17076 1 5 no PDB 2L18 . "An Arsenate Reductase In The Phosphate Binding State" . . . . . 100.00 134 100.00 100.00 1.43e-93 . . . . 17076 1 6 no PDB 2L19 . "An Arsenate Reductase In The Intermediate State" . . . . . 100.00 134 97.76 97.76 1.12e-90 . . . . 17076 1 7 no PDB 2MYN . "An Arsenate Reductase In Reduced State" . . . . . 100.00 134 100.00 100.00 1.43e-93 . . . . 17076 1 8 no PDB 2MYP . "An Arsenate Reductase In The Phosphate Binding State" . . . . . 100.00 134 100.00 100.00 1.43e-93 . . . . 17076 1 9 no PDB 2MYT . "An Arsenate Reductase In The Intermediate State" . . . . . 100.00 134 97.76 97.76 1.12e-90 . . . . 17076 1 10 no PDB 2MYU . "An Arsenate Reductase In Oxidized State" . . . . . 97.76 131 97.71 97.71 7.19e-88 . . . . 17076 1 11 no DBJ BAA18407 . "arsenate reductase [Synechocystis sp. PCC 6803]" . . . . . 97.76 131 100.00 100.00 6.55e-91 . . . . 17076 1 12 no DBJ BAK50581 . "arsenate reductase [Synechocystis sp. PCC 6803]" . . . . . 97.76 131 100.00 100.00 6.55e-91 . . . . 17076 1 13 no DBJ BAL29580 . "arsenate reductase [Synechocystis sp. PCC 6803 substr. GT-I]" . . . . . 97.76 131 100.00 100.00 6.55e-91 . . . . 17076 1 14 no DBJ BAL32749 . "arsenate reductase [Synechocystis sp. PCC 6803 substr. PCC-N]" . . . . . 97.76 131 100.00 100.00 6.55e-91 . . . . 17076 1 15 no DBJ BAL35918 . "arsenate reductase [Synechocystis sp. PCC 6803 substr. PCC-P]" . . . . . 97.76 131 100.00 100.00 6.55e-91 . . . . 17076 1 16 no GB AGF52095 . "arsenate reductase [Synechocystis sp. PCC 6803]" . . . . . 97.76 131 100.00 100.00 6.55e-91 . . . . 17076 1 17 no GB ALJ68053 . "ArsC family transcriptional regulator [Synechocystis sp. PCC 6803]" . . . . . 97.76 131 100.00 100.00 6.55e-91 . . . . 17076 1 18 no REF WP_010873028 . "arsenate reductase [Synechocystis sp. PCC 6803]" . . . . . 97.76 131 100.00 100.00 6.55e-91 . . . . 17076 1 19 no SP P74313 . "RecName: Full=Glutaredoxin arsenate reductase; AltName: Full=Low molecular weight protein-tyrosine-phosphatase; AltName: Full=P" . . . . . 97.76 131 100.00 100.00 6.55e-91 . . . . 17076 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 -2 GLY . 17076 1 2 -1 SER . 17076 1 3 0 HIS . 17076 1 4 1 MET . 17076 1 5 2 LYS . 17076 1 6 3 LYS . 17076 1 7 4 VAL . 17076 1 8 5 MET . 17076 1 9 6 PHE . 17076 1 10 7 VAL . 17076 1 11 8 CYS . 17076 1 12 9 LYS . 17076 1 13 10 ARG . 17076 1 14 11 ASN . 17076 1 15 12 SER . 17076 1 16 13 CYS . 17076 1 17 14 ARG . 17076 1 18 15 SER . 17076 1 19 16 GLN . 17076 1 20 17 MET . 17076 1 21 18 ALA . 17076 1 22 19 GLU . 17076 1 23 20 GLY . 17076 1 24 21 PHE . 17076 1 25 22 ALA . 17076 1 26 23 LYS . 17076 1 27 24 THR . 17076 1 28 25 LEU . 17076 1 29 26 GLY . 17076 1 30 27 ALA . 17076 1 31 28 GLY . 17076 1 32 29 LYS . 17076 1 33 30 ILE . 17076 1 34 31 ALA . 17076 1 35 32 VAL . 17076 1 36 33 THR . 17076 1 37 34 SER . 17076 1 38 35 CYS . 17076 1 39 36 GLY . 17076 1 40 37 LEU . 17076 1 41 38 GLU . 17076 1 42 39 SER . 17076 1 43 40 SER . 17076 1 44 41 ARG . 17076 1 45 42 VAL . 17076 1 46 43 HIS . 17076 1 47 44 PRO . 17076 1 48 45 THR . 17076 1 49 46 ALA . 17076 1 50 47 ILE . 17076 1 51 48 ALA . 17076 1 52 49 MET . 17076 1 53 50 MET . 17076 1 54 51 GLU . 17076 1 55 52 GLU . 17076 1 56 53 VAL . 17076 1 57 54 GLY . 17076 1 58 55 ILE . 17076 1 59 56 ASP . 17076 1 60 57 ILE . 17076 1 61 58 SER . 17076 1 62 59 GLY . 17076 1 63 60 GLN . 17076 1 64 61 THR . 17076 1 65 62 SER . 17076 1 66 63 ASP . 17076 1 67 64 PRO . 17076 1 68 65 ILE . 17076 1 69 66 GLU . 17076 1 70 67 ASN . 17076 1 71 68 PHE . 17076 1 72 69 ASN . 17076 1 73 70 ALA . 17076 1 74 71 ASP . 17076 1 75 72 ASP . 17076 1 76 73 TYR . 17076 1 77 74 ASP . 17076 1 78 75 VAL . 17076 1 79 76 VAL . 17076 1 80 77 ILE . 17076 1 81 78 SER . 17076 1 82 79 LEU . 17076 1 83 80 CYS . 17076 1 84 81 GLY . 17076 1 85 82 CYS . 17076 1 86 83 GLY . 17076 1 87 84 VAL . 17076 1 88 85 ASN . 17076 1 89 86 LEU . 17076 1 90 87 PRO . 17076 1 91 88 PRO . 17076 1 92 89 GLU . 17076 1 93 90 TRP . 17076 1 94 91 VAL . 17076 1 95 92 THR . 17076 1 96 93 GLN . 17076 1 97 94 GLU . 17076 1 98 95 ILE . 17076 1 99 96 PHE . 17076 1 100 97 GLU . 17076 1 101 98 ASP . 17076 1 102 99 TRP . 17076 1 103 100 GLN . 17076 1 104 101 LEU . 17076 1 105 102 GLU . 17076 1 106 103 ASP . 17076 1 107 104 PRO . 17076 1 108 105 ASP . 17076 1 109 106 GLY . 17076 1 110 107 GLN . 17076 1 111 108 SER . 17076 1 112 109 LEU . 17076 1 113 110 GLU . 17076 1 114 111 VAL . 17076 1 115 112 PHE . 17076 1 116 113 ARG . 17076 1 117 114 THR . 17076 1 118 115 VAL . 17076 1 119 116 ARG . 17076 1 120 117 GLY . 17076 1 121 118 GLN . 17076 1 122 119 VAL . 17076 1 123 120 LYS . 17076 1 124 121 GLU . 17076 1 125 122 ARG . 17076 1 126 123 VAL . 17076 1 127 124 GLU . 17076 1 128 125 ASN . 17076 1 129 126 LEU . 17076 1 130 127 ILE . 17076 1 131 128 ALA . 17076 1 132 129 LYS . 17076 1 133 130 ILE . 17076 1 134 131 SER . 17076 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 17076 1 . SER 2 2 17076 1 . HIS 3 3 17076 1 . MET 4 4 17076 1 . LYS 5 5 17076 1 . LYS 6 6 17076 1 . VAL 7 7 17076 1 . MET 8 8 17076 1 . PHE 9 9 17076 1 . VAL 10 10 17076 1 . CYS 11 11 17076 1 . LYS 12 12 17076 1 . ARG 13 13 17076 1 . ASN 14 14 17076 1 . SER 15 15 17076 1 . CYS 16 16 17076 1 . ARG 17 17 17076 1 . SER 18 18 17076 1 . GLN 19 19 17076 1 . MET 20 20 17076 1 . ALA 21 21 17076 1 . GLU 22 22 17076 1 . GLY 23 23 17076 1 . PHE 24 24 17076 1 . ALA 25 25 17076 1 . LYS 26 26 17076 1 . THR 27 27 17076 1 . LEU 28 28 17076 1 . GLY 29 29 17076 1 . ALA 30 30 17076 1 . GLY 31 31 17076 1 . LYS 32 32 17076 1 . ILE 33 33 17076 1 . ALA 34 34 17076 1 . VAL 35 35 17076 1 . THR 36 36 17076 1 . SER 37 37 17076 1 . CYS 38 38 17076 1 . GLY 39 39 17076 1 . LEU 40 40 17076 1 . GLU 41 41 17076 1 . SER 42 42 17076 1 . SER 43 43 17076 1 . ARG 44 44 17076 1 . VAL 45 45 17076 1 . HIS 46 46 17076 1 . PRO 47 47 17076 1 . THR 48 48 17076 1 . ALA 49 49 17076 1 . ILE 50 50 17076 1 . ALA 51 51 17076 1 . MET 52 52 17076 1 . MET 53 53 17076 1 . GLU 54 54 17076 1 . GLU 55 55 17076 1 . VAL 56 56 17076 1 . GLY 57 57 17076 1 . ILE 58 58 17076 1 . ASP 59 59 17076 1 . ILE 60 60 17076 1 . SER 61 61 17076 1 . GLY 62 62 17076 1 . GLN 63 63 17076 1 . THR 64 64 17076 1 . SER 65 65 17076 1 . ASP 66 66 17076 1 . PRO 67 67 17076 1 . ILE 68 68 17076 1 . GLU 69 69 17076 1 . ASN 70 70 17076 1 . PHE 71 71 17076 1 . ASN 72 72 17076 1 . ALA 73 73 17076 1 . ASP 74 74 17076 1 . ASP 75 75 17076 1 . TYR 76 76 17076 1 . ASP 77 77 17076 1 . VAL 78 78 17076 1 . VAL 79 79 17076 1 . ILE 80 80 17076 1 . SER 81 81 17076 1 . LEU 82 82 17076 1 . CYS 83 83 17076 1 . GLY 84 84 17076 1 . CYS 85 85 17076 1 . GLY 86 86 17076 1 . VAL 87 87 17076 1 . ASN 88 88 17076 1 . LEU 89 89 17076 1 . PRO 90 90 17076 1 . PRO 91 91 17076 1 . GLU 92 92 17076 1 . TRP 93 93 17076 1 . VAL 94 94 17076 1 . THR 95 95 17076 1 . GLN 96 96 17076 1 . GLU 97 97 17076 1 . ILE 98 98 17076 1 . PHE 99 99 17076 1 . GLU 100 100 17076 1 . ASP 101 101 17076 1 . TRP 102 102 17076 1 . GLN 103 103 17076 1 . LEU 104 104 17076 1 . GLU 105 105 17076 1 . ASP 106 106 17076 1 . PRO 107 107 17076 1 . ASP 108 108 17076 1 . GLY 109 109 17076 1 . GLN 110 110 17076 1 . SER 111 111 17076 1 . LEU 112 112 17076 1 . GLU 113 113 17076 1 . VAL 114 114 17076 1 . PHE 115 115 17076 1 . ARG 116 116 17076 1 . THR 117 117 17076 1 . VAL 118 118 17076 1 . ARG 119 119 17076 1 . GLY 120 120 17076 1 . GLN 121 121 17076 1 . VAL 122 122 17076 1 . LYS 123 123 17076 1 . GLU 124 124 17076 1 . ARG 125 125 17076 1 . VAL 126 126 17076 1 . GLU 127 127 17076 1 . ASN 128 128 17076 1 . LEU 129 129 17076 1 . ILE 130 130 17076 1 . ALA 131 131 17076 1 . LYS 132 132 17076 1 . ILE 133 133 17076 1 . SER 134 134 17076 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 17076 _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 $SynArsC . 1148 organism . 'Synechocystis sp. PCC 6803' 'Synechocystis sp. PCC 6803' . . Bacteria . Synechocystis . . . . . . . . . . . . . . . . . . . . . . 17076 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 17076 _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 $SynArsC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28a(+) . . . . . . 17076 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17076 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SynArsC [U-15N] . . 1 $SynArsC . . 1 . . mM . . . . 17076 1 2 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 17076 1 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17076 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17076 1 5 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17076 1 6 DTT 'natural abundance' . . . . . . 40 . . mM . . . . 17076 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17076 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17076 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17076 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SynArsC '[U-13C; U-15N]' . . 1 $SynArsC . . 1 . . mM . . . . 17076 2 2 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 17076 2 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17076 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17076 2 5 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17076 2 6 DTT 'natural abundance' . . . . . . 40 . . mM . . . . 17076 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17076 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17076 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17076 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17076 1 pH 7.0 . pH 17076 1 pressure 1 . atm 17076 1 temperature 298 . K 17076 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17076 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17076 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17076 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17076 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17076 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17076 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17076 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17076 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17076 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 'with cryo-probe' . . 17076 1 2 spectrometer_2 Bruker Avance . 800 . . . 17076 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 17076 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 3 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 8 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 9 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 12 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 13 '3D CCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 14 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17076 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17076 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17076 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17076 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17076 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17076 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17076 1 2 '3D CBCA(CO)NH' . . . 17076 1 3 '3D C(CO)NH' . . . 17076 1 4 '3D HNCO' . . . 17076 1 5 '3D HNCA' . . . 17076 1 6 '3D HNCACB' . . . 17076 1 7 '3D HBHA(CO)NH' . . . 17076 1 8 '3D H(CCO)NH' . . . 17076 1 10 '3D HCCH-TOCSY' . . . 17076 1 12 '3D CCH-TOCSY' . . . 17076 1 13 '3D CCH-COSY' . . . 17076 1 14 '3D HCCH-COSY' . . . 17076 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 4 4 MET H H 1 8.302 0.03 . 1 . . . . 1 M H . 17076 1 2 . 1 1 4 4 MET HA H 1 4.388 0.03 . 1 . . . . 1 M HA . 17076 1 3 . 1 1 4 4 MET HB2 H 1 1.796 0.03 . 2 . . . . 1 M HB1 . 17076 1 4 . 1 1 4 4 MET HB3 H 1 1.920 0.03 . 2 . . . . 1 M HB2 . 17076 1 5 . 1 1 4 4 MET HE1 H 1 1.364 0.03 . 1 . . . . 1 M HE1 . 17076 1 6 . 1 1 4 4 MET HE2 H 1 1.364 0.03 . 1 . . . . 1 M HE1 . 17076 1 7 . 1 1 4 4 MET HE3 H 1 1.364 0.03 . 1 . . . . 1 M HE1 . 17076 1 8 . 1 1 4 4 MET HG2 H 1 2.333 0.03 . 2 . . . . 1 M HG1 . 17076 1 9 . 1 1 4 4 MET HG3 H 1 2.276 0.03 . 2 . . . . 1 M HG2 . 17076 1 10 . 1 1 4 4 MET C C 13 175.846 0.3 . 1 . . . . 1 M C . 17076 1 11 . 1 1 4 4 MET CA C 13 55.860 0.3 . 1 . . . . 1 M CA . 17076 1 12 . 1 1 4 4 MET CB C 13 33.887 0.3 . 1 . . . . 1 M CB . 17076 1 13 . 1 1 4 4 MET CE C 13 21.095 0.3 . 1 . . . . 1 M CE . 17076 1 14 . 1 1 4 4 MET CG C 13 31.580 0.3 . 1 . . . . 1 M CG . 17076 1 15 . 1 1 4 4 MET N N 15 123.660 0.3 . 1 . . . . 1 M N . 17076 1 16 . 1 1 5 5 LYS H H 1 8.545 0.03 . 1 . . . . 2 K HN . 17076 1 17 . 1 1 5 5 LYS HA H 1 4.366 0.03 . 1 . . . . 2 K HA . 17076 1 18 . 1 1 5 5 LYS HB2 H 1 1.528 0.03 . 2 . . . . 2 K HB1 . 17076 1 19 . 1 1 5 5 LYS HB3 H 1 1.843 0.03 . 2 . . . . 2 K HB2 . 17076 1 20 . 1 1 5 5 LYS HD2 H 1 1.606 0.03 . 2 . . . . 2 K HD1 . 17076 1 21 . 1 1 5 5 LYS HD3 H 1 1.545 0.03 . 2 . . . . 2 K HD2 . 17076 1 22 . 1 1 5 5 LYS HE2 H 1 2.982 0.03 . 2 . . . . 2 K HE1 . 17076 1 23 . 1 1 5 5 LYS HE3 H 1 3.040 0.03 . 2 . . . . 2 K HE2 . 17076 1 24 . 1 1 5 5 LYS HG2 H 1 1.474 0.03 . 2 . . . . 2 K HG1 . 17076 1 25 . 1 1 5 5 LYS HG3 H 1 1.612 0.03 . 2 . . . . 2 K HG2 . 17076 1 26 . 1 1 5 5 LYS C C 13 175.500 0.3 . 1 . . . . 2 K C . 17076 1 27 . 1 1 5 5 LYS CA C 13 56.587 0.3 . 1 . . . . 2 K CA . 17076 1 28 . 1 1 5 5 LYS CB C 13 33.978 0.3 . 1 . . . . 2 K CB . 17076 1 29 . 1 1 5 5 LYS CD C 13 29.206 0.3 . 1 . . . . 2 K CD . 17076 1 30 . 1 1 5 5 LYS CE C 13 42.340 0.3 . 1 . . . . 2 K CE . 17076 1 31 . 1 1 5 5 LYS CG C 13 26.006 0.3 . 1 . . . . 2 K CG . 17076 1 32 . 1 1 5 5 LYS N N 15 125.400 0.3 . 1 . . . . 2 K N . 17076 1 33 . 1 1 6 6 LYS H H 1 9.702 0.03 . 1 . . . . 3 K HN . 17076 1 34 . 1 1 6 6 LYS HA H 1 5.080 0.03 . 1 . . . . 3 K HA . 17076 1 35 . 1 1 6 6 LYS HB2 H 1 1.786 0.03 . 2 . . . . 3 K HB2 . 17076 1 36 . 1 1 6 6 LYS HD2 H 1 1.546 0.03 . 2 . . . . 3 K HD2 . 17076 1 37 . 1 1 6 6 LYS HE2 H 1 2.780 0.03 . 2 . . . . 3 K HE2 . 17076 1 38 . 1 1 6 6 LYS HG2 H 1 1.326 0.03 . 2 . . . . 3 K HG1 . 17076 1 39 . 1 1 6 6 LYS HG3 H 1 1.580 0.03 . 2 . . . . 3 K HG2 . 17076 1 40 . 1 1 6 6 LYS C C 13 176.385 0.3 . 1 . . . . 3 K C . 17076 1 41 . 1 1 6 6 LYS CA C 13 56.000 0.3 . 1 . . . . 3 K CA . 17076 1 42 . 1 1 6 6 LYS CB C 13 33.960 0.3 . 1 . . . . 3 K CB . 17076 1 43 . 1 1 6 6 LYS CD C 13 28.988 0.3 . 1 . . . . 3 K CD . 17076 1 44 . 1 1 6 6 LYS CE C 13 41.960 0.3 . 1 . . . . 3 K CE . 17076 1 45 . 1 1 6 6 LYS CG C 13 25.400 0.3 . 1 . . . . 3 K CG . 17076 1 46 . 1 1 6 6 LYS N N 15 123.868 0.3 . 1 . . . . 3 K N . 17076 1 47 . 1 1 7 7 VAL H H 1 9.022 0.03 . 1 . . . . 4 V HN . 17076 1 48 . 1 1 7 7 VAL HA H 1 4.946 0.03 . 1 . . . . 4 V HA . 17076 1 49 . 1 1 7 7 VAL HB H 1 1.800 0.03 . 1 . . . . 4 V HB . 17076 1 50 . 1 1 7 7 VAL HG11 H 1 0.088 0.03 . 2 . . . . 4 V HG11 . 17076 1 51 . 1 1 7 7 VAL HG12 H 1 0.088 0.03 . 2 . . . . 4 V HG11 . 17076 1 52 . 1 1 7 7 VAL HG13 H 1 0.088 0.03 . 2 . . . . 4 V HG11 . 17076 1 53 . 1 1 7 7 VAL HG21 H 1 0.684 0.03 . 2 . . . . 4 V HG21 . 17076 1 54 . 1 1 7 7 VAL HG22 H 1 0.684 0.03 . 2 . . . . 4 V HG21 . 17076 1 55 . 1 1 7 7 VAL HG23 H 1 0.684 0.03 . 2 . . . . 4 V HG21 . 17076 1 56 . 1 1 7 7 VAL C C 13 172.999 0.3 . 1 . . . . 4 V C . 17076 1 57 . 1 1 7 7 VAL CA C 13 60.505 0.3 . 1 . . . . 4 V CA . 17076 1 58 . 1 1 7 7 VAL CB C 13 34.595 0.3 . 1 . . . . 4 V CB . 17076 1 59 . 1 1 7 7 VAL CG1 C 13 21.262 0.3 . 1 . . . . 4 V CG1 . 17076 1 60 . 1 1 7 7 VAL CG2 C 13 21.262 0.3 . 1 . . . . 4 V CG2 . 17076 1 61 . 1 1 7 7 VAL N N 15 126.850 0.3 . 1 . . . . 4 V N . 17076 1 62 . 1 1 8 8 MET H H 1 8.740 0.03 . 1 . . . . 5 M HN . 17076 1 63 . 1 1 8 8 MET HA H 1 4.945 0.03 . 1 . . . . 5 M HA . 17076 1 64 . 1 1 8 8 MET HB2 H 1 1.032 0.03 . 2 . . . . 5 M HB1 . 17076 1 65 . 1 1 8 8 MET HB3 H 1 1.665 0.03 . 2 . . . . 5 M HB2 . 17076 1 66 . 1 1 8 8 MET HE1 H 1 0.562 0.03 . 1 . . . . 5 M HE1 . 17076 1 67 . 1 1 8 8 MET HE2 H 1 0.562 0.03 . 1 . . . . 5 M HE1 . 17076 1 68 . 1 1 8 8 MET HE3 H 1 0.562 0.03 . 1 . . . . 5 M HE1 . 17076 1 69 . 1 1 8 8 MET HG2 H 1 1.550 0.03 . 2 . . . . 5 M HG2 . 17076 1 70 . 1 1 8 8 MET C C 13 174.153 0.3 . 1 . . . . 5 M C . 17076 1 71 . 1 1 8 8 MET CA C 13 52.418 0.3 . 1 . . . . 5 M CA . 17076 1 72 . 1 1 8 8 MET CB C 13 34.999 0.3 . 1 . . . . 5 M CB . 17076 1 73 . 1 1 8 8 MET CE C 13 17.564 0.3 . 1 . . . . 5 M CE . 17076 1 74 . 1 1 8 8 MET CG C 13 32.438 0.3 . 1 . . . . 5 M CG . 17076 1 75 . 1 1 8 8 MET N N 15 126.608 0.3 . 1 . . . . 5 M N . 17076 1 76 . 1 1 9 9 PHE H H 1 8.116 0.03 . 1 . . . . 6 F HN . 17076 1 77 . 1 1 9 9 PHE HA H 1 5.120 0.03 . 1 . . . . 6 F HA . 17076 1 78 . 1 1 9 9 PHE HB2 H 1 2.606 0.03 . 2 . . . . 6 F HB1 . 17076 1 79 . 1 1 9 9 PHE HB3 H 1 2.533 0.03 . 2 . . . . 6 F HB2 . 17076 1 80 . 1 1 9 9 PHE HD1 H 1 6.768 0.03 . 3 . . . . 6 F HD1 . 17076 1 81 . 1 1 9 9 PHE HE1 H 1 6.929 0.03 . 3 . . . . 6 F HE1 . 17076 1 82 . 1 1 9 9 PHE HZ H 1 6.840 0.03 . 1 . . . . 6 F HZ . 17076 1 83 . 1 1 9 9 PHE C C 13 174.538 0.3 . 1 . . . . 6 F C . 17076 1 84 . 1 1 9 9 PHE CA C 13 56.832 0.3 . 1 . . . . 6 F CA . 17076 1 85 . 1 1 9 9 PHE CB C 13 42.396 0.3 . 1 . . . . 6 F CB . 17076 1 86 . 1 1 9 9 PHE CD1 C 13 131.600 0.3 . 3 . . . . 6 F CD1 . 17076 1 87 . 1 1 9 9 PHE N N 15 125.250 0.3 . 1 . . . . 6 F N . 17076 1 88 . 1 1 10 10 VAL H H 1 8.772 0.03 . 1 . . . . 7 V HN . 17076 1 89 . 1 1 10 10 VAL HA H 1 5.338 0.03 . 1 . . . . 7 V HA . 17076 1 90 . 1 1 10 10 VAL HB H 1 1.674 0.03 . 1 . . . . 7 V HB . 17076 1 91 . 1 1 10 10 VAL HG11 H 1 0.646 0.03 . 2 . . . . 7 V HG11 . 17076 1 92 . 1 1 10 10 VAL HG12 H 1 0.646 0.03 . 2 . . . . 7 V HG11 . 17076 1 93 . 1 1 10 10 VAL HG13 H 1 0.646 0.03 . 2 . . . . 7 V HG11 . 17076 1 94 . 1 1 10 10 VAL HG21 H 1 0.278 0.03 . 2 . . . . 7 V HG21 . 17076 1 95 . 1 1 10 10 VAL HG22 H 1 0.278 0.03 . 2 . . . . 7 V HG21 . 17076 1 96 . 1 1 10 10 VAL HG23 H 1 0.278 0.03 . 2 . . . . 7 V HG21 . 17076 1 97 . 1 1 10 10 VAL C C 13 174.980 0.3 . 1 . . . . 7 V C . 17076 1 98 . 1 1 10 10 VAL CA C 13 60.389 0.3 . 1 . . . . 7 V CA . 17076 1 99 . 1 1 10 10 VAL CB C 13 35.534 0.3 . 1 . . . . 7 V CB . 17076 1 100 . 1 1 10 10 VAL CG1 C 13 20.806 0.3 . 1 . . . . 7 V CG1 . 17076 1 101 . 1 1 10 10 VAL CG2 C 13 20.606 0.3 . 1 . . . . 7 V CG2 . 17076 1 102 . 1 1 10 10 VAL N N 15 122.000 0.3 . 1 . . . . 7 V N . 17076 1 103 . 1 1 11 11 CYS H H 1 8.288 0.03 . 1 . . . . 8 C HN . 17076 1 104 . 1 1 11 11 CYS HA H 1 5.486 0.03 . 1 . . . . 8 C HA . 17076 1 105 . 1 1 11 11 CYS HB2 H 1 3.706 0.03 . 2 . . . . 8 C HB1 . 17076 1 106 . 1 1 11 11 CYS HB3 H 1 3.028 0.03 . 2 . . . . 8 C HB2 . 17076 1 107 . 1 1 11 11 CYS CA C 13 61.200 0.3 . 1 . . . . 8 C CA . 17076 1 108 . 1 1 11 11 CYS CB C 13 30.032 0.3 . 1 . . . . 8 C CB . 17076 1 109 . 1 1 11 11 CYS N N 15 123.660 0.3 . 1 . . . . 8 C N . 17076 1 110 . 1 1 13 13 ARG H H 1 8.141 0.03 . 1 . . . . 10 R HN . 17076 1 111 . 1 1 13 13 ARG HA H 1 5.291 0.03 . 1 . . . . 10 R HA . 17076 1 112 . 1 1 13 13 ARG HB2 H 1 1.926 0.03 . 2 . . . . 10 R HB1 . 17076 1 113 . 1 1 13 13 ARG HB3 H 1 1.713 0.03 . 2 . . . . 10 R HB2 . 17076 1 114 . 1 1 13 13 ARG HD2 H 1 3.222 0.03 . 2 . . . . 10 R HD2 . 17076 1 115 . 1 1 13 13 ARG HG2 H 1 1.476 0.03 . 2 . . . . 10 R HG1 . 17076 1 116 . 1 1 13 13 ARG HG3 H 1 1.594 0.03 . 2 . . . . 10 R HG2 . 17076 1 117 . 1 1 13 13 ARG CA C 13 54.830 0.3 . 1 . . . . 10 R CA . 17076 1 118 . 1 1 13 13 ARG CB C 13 30.820 0.3 . 1 . . . . 10 R CB . 17076 1 119 . 1 1 13 13 ARG CD C 13 43.608 0.3 . 1 . . . . 10 R CD . 17076 1 120 . 1 1 13 13 ARG CG C 13 27.834 0.3 . 1 . . . . 10 R CG . 17076 1 121 . 1 1 14 14 ASN HD21 H 1 8.085 0.03 . 2 . . . . 11 N HD21 . 17076 1 122 . 1 1 14 14 ASN HD22 H 1 7.711 0.03 . 2 . . . . 11 N HD22 . 17076 1 123 . 1 1 14 14 ASN ND2 N 15 111.100 0.3 . 1 . . . . 11 N ND2 . 17076 1 124 . 1 1 15 15 SER H H 1 8.740 0.03 . 1 . . . . 12 S HN . 17076 1 125 . 1 1 15 15 SER HB2 H 1 3.986 0.03 . 2 . . . . 12 S HB2 . 17076 1 126 . 1 1 15 15 SER CB C 13 62.910 0.3 . 1 . . . . 12 S CB . 17076 1 127 . 1 1 16 16 CYS H H 1 8.598 0.03 . 1 . . . . 13 C HN . 17076 1 128 . 1 1 17 17 ARG H H 1 7.959 0.03 . 1 . . . . 14 R HN . 17076 1 129 . 1 1 17 17 ARG HA H 1 3.826 0.03 . 1 . . . . 14 R HA . 17076 1 130 . 1 1 17 17 ARG HB2 H 1 1.491 0.03 . 2 . . . . 14 R HB2 . 17076 1 131 . 1 1 17 17 ARG HD2 H 1 3.758 0.03 . 2 . . . . 14 R HD2 . 17076 1 132 . 1 1 17 17 ARG CA C 13 62.760 0.3 . 1 . . . . 14 R CA . 17076 1 133 . 1 1 17 17 ARG CB C 13 31.498 0.3 . 1 . . . . 14 R CB . 17076 1 134 . 1 1 18 18 SER H H 1 9.436 0.03 . 1 . . . . 15 S HN . 17076 1 135 . 1 1 18 18 SER HA H 1 3.825 0.03 . 1 . . . . 15 S HA . 17076 1 136 . 1 1 18 18 SER HB2 H 1 4.037 0.03 . 2 . . . . 15 S HB1 . 17076 1 137 . 1 1 18 18 SER HB3 H 1 3.040 0.03 . 2 . . . . 15 S HB2 . 17076 1 138 . 1 1 18 18 SER CA C 13 62.330 0.3 . 1 . . . . 15 S CA . 17076 1 139 . 1 1 18 18 SER N N 15 114.000 0.3 . 1 . . . . 15 S N . 17076 1 140 . 1 1 19 19 GLN H H 1 6.192 0.03 . 1 . . . . 16 Q HN . 17076 1 141 . 1 1 19 19 GLN HA H 1 4.046 0.03 . 1 . . . . 16 Q HA . 17076 1 142 . 1 1 19 19 GLN HB2 H 1 2.012 0.03 . 2 . . . . 16 Q HB1 . 17076 1 143 . 1 1 19 19 GLN HB3 H 1 1.626 0.03 . 2 . . . . 16 Q HB2 . 17076 1 144 . 1 1 19 19 GLN HE21 H 1 6.440 0.03 . 2 . . . . 16 Q HE21 . 17076 1 145 . 1 1 19 19 GLN HE22 H 1 6.322 0.03 . 2 . . . . 16 Q HE22 . 17076 1 146 . 1 1 19 19 GLN CA C 13 57.740 0.3 . 1 . . . . 16 Q CA . 17076 1 147 . 1 1 19 19 GLN CB C 13 26.800 0.3 . 1 . . . . 16 Q CB . 17076 1 148 . 1 1 19 19 GLN N N 15 121.105 0.3 . 1 . . . . 16 Q N . 17076 1 149 . 1 1 19 19 GLN NE2 N 15 107.509 0.3 . 1 . . . . 16 Q NE2 . 17076 1 150 . 1 1 20 20 MET H H 1 8.006 0.03 . 1 . . . . 17 M HN . 17076 1 151 . 1 1 20 20 MET HA H 1 3.858 0.03 . 1 . . . . 17 M HA . 17076 1 152 . 1 1 20 20 MET HB2 H 1 2.112 0.03 . 2 . . . . 17 M HB1 . 17076 1 153 . 1 1 20 20 MET HB3 H 1 2.342 0.03 . 2 . . . . 17 M HB2 . 17076 1 154 . 1 1 20 20 MET HE1 H 1 0.775 0.03 . 1 . . . . 17 M HE1 . 17076 1 155 . 1 1 20 20 MET HE2 H 1 0.775 0.03 . 1 . . . . 17 M HE1 . 17076 1 156 . 1 1 20 20 MET HE3 H 1 0.775 0.03 . 1 . . . . 17 M HE1 . 17076 1 157 . 1 1 20 20 MET HG2 H 1 2.962 0.03 . 2 . . . . 17 M HG2 . 17076 1 158 . 1 1 20 20 MET C C 13 176.924 0.3 . 1 . . . . 17 M C . 17076 1 159 . 1 1 20 20 MET CA C 13 60.250 0.3 . 1 . . . . 17 M CA . 17076 1 160 . 1 1 20 20 MET CB C 13 33.748 0.3 . 1 . . . . 17 M CB . 17076 1 161 . 1 1 20 20 MET CE C 13 15.500 0.3 . 1 . . . . 17 M CE . 17076 1 162 . 1 1 20 20 MET N N 15 118.650 0.3 . 1 . . . . 17 M N . 17076 1 163 . 1 1 21 21 ALA H H 1 7.735 0.03 . 1 . . . . 18 A HN . 17076 1 164 . 1 1 21 21 ALA HA H 1 3.578 0.03 . 1 . . . . 18 A HA . 17076 1 165 . 1 1 21 21 ALA HB1 H 1 0.422 0.03 . 1 . . . . 18 A HB1 . 17076 1 166 . 1 1 21 21 ALA HB2 H 1 0.422 0.03 . 1 . . . . 18 A HB1 . 17076 1 167 . 1 1 21 21 ALA HB3 H 1 0.422 0.03 . 1 . . . . 18 A HB1 . 17076 1 168 . 1 1 21 21 ALA C C 13 177.539 0.3 . 1 . . . . 18 A C . 17076 1 169 . 1 1 21 21 ALA CA C 13 56.100 0.3 . 1 . . . . 18 A CA . 17076 1 170 . 1 1 21 21 ALA CB C 13 16.815 0.3 . 1 . . . . 18 A CB . 17076 1 171 . 1 1 21 21 ALA N N 15 120.648 0.3 . 1 . . . . 18 A N . 17076 1 172 . 1 1 22 22 GLU H H 1 7.845 0.03 . 1 . . . . 19 E HN . 17076 1 173 . 1 1 22 22 GLU HA H 1 3.680 0.03 . 1 . . . . 19 E HA . 17076 1 174 . 1 1 22 22 GLU HB2 H 1 1.930 0.03 . 2 . . . . 19 E HB2 . 17076 1 175 . 1 1 22 22 GLU HG2 H 1 2.090 0.03 . 2 . . . . 19 E HG2 . 17076 1 176 . 1 1 22 22 GLU C C 13 177.539 0.3 . 1 . . . . 19 E C . 17076 1 177 . 1 1 22 22 GLU CA C 13 59.786 0.3 . 1 . . . . 19 E CA . 17076 1 178 . 1 1 22 22 GLU CB C 13 29.283 0.3 . 1 . . . . 19 E CB . 17076 1 179 . 1 1 22 22 GLU CG C 13 34.960 0.3 . 1 . . . . 19 E CG . 17076 1 180 . 1 1 22 22 GLU N N 15 118.600 0.3 . 1 . . . . 19 E N . 17076 1 181 . 1 1 23 23 GLY H H 1 7.869 0.03 . 1 . . . . 20 G HN . 17076 1 182 . 1 1 23 23 GLY HA2 H 1 3.750 0.03 . 2 . . . . 20 G HA1 . 17076 1 183 . 1 1 23 23 GLY HA3 H 1 3.222 0.03 . 2 . . . . 20 G HA2 . 17076 1 184 . 1 1 23 23 GLY C C 13 176.154 0.3 . 1 . . . . 20 G C . 17076 1 185 . 1 1 23 23 GLY CA C 13 48.110 0.3 . 1 . . . . 20 G CA . 17076 1 186 . 1 1 23 23 GLY N N 15 105.459 0.3 . 1 . . . . 20 G N . 17076 1 187 . 1 1 24 24 PHE H H 1 8.312 0.03 . 1 . . . . 21 F HN . 17076 1 188 . 1 1 24 24 PHE HA H 1 4.388 0.03 . 1 . . . . 21 F HA . 17076 1 189 . 1 1 24 24 PHE HB2 H 1 2.842 0.03 . 2 . . . . 21 F HB1 . 17076 1 190 . 1 1 24 24 PHE HB3 H 1 3.040 0.03 . 2 . . . . 21 F HB2 . 17076 1 191 . 1 1 24 24 PHE HD1 H 1 7.113 0.03 . 3 . . . . 21 F HD1 . 17076 1 192 . 1 1 24 24 PHE HE1 H 1 7.410 0.03 . 3 . . . . 21 F HE1 . 17076 1 193 . 1 1 24 24 PHE HZ H 1 7.387 0.03 . 1 . . . . 21 F HZ . 17076 1 194 . 1 1 24 24 PHE C C 13 177.809 0.3 . 1 . . . . 21 F C . 17076 1 195 . 1 1 24 24 PHE CA C 13 62.761 0.3 . 1 . . . . 21 F CA . 17076 1 196 . 1 1 24 24 PHE CB C 13 39.415 0.3 . 1 . . . . 21 F CB . 17076 1 197 . 1 1 24 24 PHE CD1 C 13 131.690 0.3 . 3 . . . . 21 F CD1 . 17076 1 198 . 1 1 24 24 PHE CE1 C 13 132.300 0.3 . 3 . . . . 21 F CE1 . 17076 1 199 . 1 1 24 24 PHE N N 15 120.160 0.3 . 1 . . . . 21 F N . 17076 1 200 . 1 1 25 25 ALA H H 1 9.248 0.03 . 1 . . . . 22 A HN . 17076 1 201 . 1 1 25 25 ALA HA H 1 3.914 0.03 . 1 . . . . 22 A HA . 17076 1 202 . 1 1 25 25 ALA HB1 H 1 1.679 0.03 . 1 . . . . 22 A HB1 . 17076 1 203 . 1 1 25 25 ALA HB2 H 1 1.679 0.03 . 1 . . . . 22 A HB1 . 17076 1 204 . 1 1 25 25 ALA HB3 H 1 1.679 0.03 . 1 . . . . 22 A HB1 . 17076 1 205 . 1 1 25 25 ALA C C 13 179.464 0.3 . 1 . . . . 22 A C . 17076 1 206 . 1 1 25 25 ALA CA C 13 56.010 0.3 . 1 . . . . 22 A CA . 17076 1 207 . 1 1 25 25 ALA CB C 13 19.831 0.3 . 1 . . . . 22 A CB . 17076 1 208 . 1 1 25 25 ALA N N 15 123.160 0.3 . 1 . . . . 22 A N . 17076 1 209 . 1 1 26 26 LYS H H 1 8.788 0.03 . 1 . . . . 23 K HN . 17076 1 210 . 1 1 26 26 LYS HA H 1 4.222 0.03 . 1 . . . . 23 K HA . 17076 1 211 . 1 1 26 26 LYS HB2 H 1 1.868 0.03 . 2 . . . . 23 K HB1 . 17076 1 212 . 1 1 26 26 LYS HB3 H 1 2.060 0.03 . 2 . . . . 23 K HB2 . 17076 1 213 . 1 1 26 26 LYS HE2 H 1 2.942 0.03 . 2 . . . . 23 K HE2 . 17076 1 214 . 1 1 26 26 LYS HG2 H 1 1.488 0.03 . 2 . . . . 23 K HG1 . 17076 1 215 . 1 1 26 26 LYS HG3 H 1 1.756 0.03 . 2 . . . . 23 K HG2 . 17076 1 216 . 1 1 26 26 LYS C C 13 177.732 0.3 . 1 . . . . 23 K C . 17076 1 217 . 1 1 26 26 LYS CA C 13 58.932 0.3 . 1 . . . . 23 K CA . 17076 1 218 . 1 1 26 26 LYS CB C 13 32.012 0.3 . 1 . . . . 23 K CB . 17076 1 219 . 1 1 26 26 LYS CG C 13 26.000 0.3 . 1 . . . . 23 K CG . 17076 1 220 . 1 1 26 26 LYS N N 15 117.590 0.3 . 1 . . . . 23 K N . 17076 1 221 . 1 1 27 27 THR H H 1 7.208 0.03 . 1 . . . . 24 T HN . 17076 1 222 . 1 1 27 27 THR HA H 1 4.258 0.03 . 1 . . . . 24 T HA . 17076 1 223 . 1 1 27 27 THR HB H 1 4.249 0.03 . 1 . . . . 24 T HB . 17076 1 224 . 1 1 27 27 THR HG21 H 1 1.362 0.03 . 1 . . . . 24 T HG21 . 17076 1 225 . 1 1 27 27 THR HG22 H 1 1.362 0.03 . 1 . . . . 24 T HG21 . 17076 1 226 . 1 1 27 27 THR HG23 H 1 1.362 0.03 . 1 . . . . 24 T HG21 . 17076 1 227 . 1 1 27 27 THR C C 13 176.430 0.3 . 1 . . . . 24 T C . 17076 1 228 . 1 1 27 27 THR CA C 13 65.467 0.3 . 1 . . . . 24 T CA . 17076 1 229 . 1 1 27 27 THR CB C 13 69.580 0.3 . 1 . . . . 24 T CB . 17076 1 230 . 1 1 27 27 THR CG2 C 13 21.060 0.3 . 1 . . . . 24 T CG2 . 17076 1 231 . 1 1 27 27 THR N N 15 114.650 0.3 . 1 . . . . 24 T N . 17076 1 232 . 1 1 28 28 LEU H H 1 8.766 0.03 . 1 . . . . 25 L HN . 17076 1 233 . 1 1 28 28 LEU HA H 1 4.350 0.03 . 1 . . . . 25 L HA . 17076 1 234 . 1 1 28 28 LEU HB2 H 1 1.619 0.03 . 2 . . . . 25 L HB2 . 17076 1 235 . 1 1 28 28 LEU HD11 H 1 0.928 0.03 . 2 . . . . 25 L HD11 . 17076 1 236 . 1 1 28 28 LEU HD12 H 1 0.928 0.03 . 2 . . . . 25 L HD11 . 17076 1 237 . 1 1 28 28 LEU HD13 H 1 0.928 0.03 . 2 . . . . 25 L HD11 . 17076 1 238 . 1 1 28 28 LEU HD21 H 1 1.002 0.03 . 2 . . . . 25 L HD21 . 17076 1 239 . 1 1 28 28 LEU HD22 H 1 1.002 0.03 . 2 . . . . 25 L HD21 . 17076 1 240 . 1 1 28 28 LEU HD23 H 1 1.002 0.03 . 2 . . . . 25 L HD21 . 17076 1 241 . 1 1 28 28 LEU HG H 1 1.992 0.03 . 1 . . . . 25 L HG . 17076 1 242 . 1 1 28 28 LEU C C 13 178.502 0.3 . 1 . . . . 25 L C . 17076 1 243 . 1 1 28 28 LEU CA C 13 56.869 0.3 . 1 . . . . 25 L CA . 17076 1 244 . 1 1 28 28 LEU CB C 13 42.228 0.3 . 1 . . . . 25 L CB . 17076 1 245 . 1 1 28 28 LEU CD1 C 13 25.520 0.3 . 1 . . . . 25 L CD1 . 17076 1 246 . 1 1 28 28 LEU CD2 C 13 22.599 0.3 . 1 . . . . 25 L CD2 . 17076 1 247 . 1 1 28 28 LEU CG C 13 27.500 0.3 . 1 . . . . 25 L CG . 17076 1 248 . 1 1 28 28 LEU N N 15 121.400 0.3 . 1 . . . . 25 L N . 17076 1 249 . 1 1 29 29 GLY H H 1 7.868 0.03 . 1 . . . . 26 G HN . 17076 1 250 . 1 1 29 29 GLY HA2 H 1 3.666 0.03 . 2 . . . . 26 G HA1 . 17076 1 251 . 1 1 29 29 GLY HA3 H 1 4.238 0.03 . 2 . . . . 26 G HA2 . 17076 1 252 . 1 1 29 29 GLY C C 13 173.460 0.3 . 1 . . . . 26 G C . 17076 1 253 . 1 1 29 29 GLY CA C 13 45.152 0.3 . 1 . . . . 26 G CA . 17076 1 254 . 1 1 29 29 GLY N N 15 106.196 0.3 . 1 . . . . 26 G N . 17076 1 255 . 1 1 30 30 ALA H H 1 6.964 0.03 . 1 . . . . 27 A HN . 17076 1 256 . 1 1 30 30 ALA HA H 1 4.310 0.03 . 1 . . . . 27 A HA . 17076 1 257 . 1 1 30 30 ALA HB1 H 1 1.566 0.03 . 1 . . . . 27 A HB1 . 17076 1 258 . 1 1 30 30 ALA HB2 H 1 1.566 0.03 . 1 . . . . 27 A HB1 . 17076 1 259 . 1 1 30 30 ALA HB3 H 1 1.566 0.03 . 1 . . . . 27 A HB1 . 17076 1 260 . 1 1 30 30 ALA C C 13 178.655 0.3 . 1 . . . . 27 A C . 17076 1 261 . 1 1 30 30 ALA CA C 13 54.289 0.3 . 1 . . . . 27 A CA . 17076 1 262 . 1 1 30 30 ALA CB C 13 18.155 0.3 . 1 . . . . 27 A CB . 17076 1 263 . 1 1 30 30 ALA N N 15 124.401 0.3 . 1 . . . . 27 A N . 17076 1 264 . 1 1 31 31 GLY H H 1 9.230 0.03 . 1 . . . . 28 G HN . 17076 1 265 . 1 1 31 31 GLY HA2 H 1 3.780 0.03 . 2 . . . . 28 G HA1 . 17076 1 266 . 1 1 31 31 GLY HA3 H 1 4.276 0.03 . 2 . . . . 28 G HA2 . 17076 1 267 . 1 1 31 31 GLY C C 13 173.961 0.3 . 1 . . . . 28 G C . 17076 1 268 . 1 1 31 31 GLY CA C 13 45.825 0.3 . 1 . . . . 28 G CA . 17076 1 269 . 1 1 31 31 GLY N N 15 112.651 0.3 . 1 . . . . 28 G N . 17076 1 270 . 1 1 32 32 LYS H H 1 8.421 0.03 . 1 . . . . 29 K HN . 17076 1 271 . 1 1 32 32 LYS HA H 1 4.586 0.03 . 1 . . . . 29 K HA . 17076 1 272 . 1 1 32 32 LYS HB2 H 1 1.752 0.03 . 2 . . . . 29 K HB1 . 17076 1 273 . 1 1 32 32 LYS HB3 H 1 1.964 0.03 . 2 . . . . 29 K HB2 . 17076 1 274 . 1 1 32 32 LYS HD2 H 1 1.638 0.03 . 2 . . . . 29 K HD1 . 17076 1 275 . 1 1 32 32 LYS HD3 H 1 1.731 0.03 . 2 . . . . 29 K HD2 . 17076 1 276 . 1 1 32 32 LYS HE2 H 1 3.000 0.03 . 2 . . . . 29 K HE2 . 17076 1 277 . 1 1 32 32 LYS HG2 H 1 1.432 0.03 . 2 . . . . 29 K HG2 . 17076 1 278 . 1 1 32 32 LYS C C 13 175.808 0.3 . 1 . . . . 29 K C . 17076 1 279 . 1 1 32 32 LYS CA C 13 57.468 0.3 . 1 . . . . 29 K CA . 17076 1 280 . 1 1 32 32 LYS CB C 13 35.314 0.3 . 1 . . . . 29 K CB . 17076 1 281 . 1 1 32 32 LYS CD C 13 29.380 0.3 . 1 . . . . 29 K CD . 17076 1 282 . 1 1 32 32 LYS CE C 13 42.200 0.3 . 1 . . . . 29 K CE . 17076 1 283 . 1 1 32 32 LYS CG C 13 25.316 0.3 . 1 . . . . 29 K CG . 17076 1 284 . 1 1 32 32 LYS N N 15 118.968 0.3 . 1 . . . . 29 K N . 17076 1 285 . 1 1 33 33 ILE H H 1 7.659 0.03 . 1 . . . . 30 I HN . 17076 1 286 . 1 1 33 33 ILE HA H 1 5.010 0.03 . 1 . . . . 30 I HA . 17076 1 287 . 1 1 33 33 ILE HB H 1 1.786 0.03 . 1 . . . . 30 I HB . 17076 1 288 . 1 1 33 33 ILE HD11 H 1 0.788 0.03 . 1 . . . . 30 I HD11 . 17076 1 289 . 1 1 33 33 ILE HD12 H 1 0.788 0.03 . 1 . . . . 30 I HD11 . 17076 1 290 . 1 1 33 33 ILE HD13 H 1 0.788 0.03 . 1 . . . . 30 I HD11 . 17076 1 291 . 1 1 33 33 ILE HG12 H 1 1.348 0.03 . 1 . . . . 30 I HG11 . 17076 1 292 . 1 1 33 33 ILE HG13 H 1 1.106 0.03 . 1 . . . . 30 I HG12 . 17076 1 293 . 1 1 33 33 ILE HG21 H 1 0.888 0.03 . 1 . . . . 30 I HG21 . 17076 1 294 . 1 1 33 33 ILE HG22 H 1 0.888 0.03 . 1 . . . . 30 I HG21 . 17076 1 295 . 1 1 33 33 ILE HG23 H 1 0.888 0.03 . 1 . . . . 30 I HG21 . 17076 1 296 . 1 1 33 33 ILE C C 13 173.499 0.3 . 1 . . . . 30 I C . 17076 1 297 . 1 1 33 33 ILE CA C 13 59.136 0.3 . 1 . . . . 30 I CA . 17076 1 298 . 1 1 33 33 ILE CB C 13 42.531 0.3 . 1 . . . . 30 I CB . 17076 1 299 . 1 1 33 33 ILE CD1 C 13 13.880 0.3 . 1 . . . . 30 I CD1 . 17076 1 300 . 1 1 33 33 ILE CG1 C 13 25.461 0.3 . 1 . . . . 30 I CG1 . 17076 1 301 . 1 1 33 33 ILE CG2 C 13 19.149 0.3 . 1 . . . . 30 I CG2 . 17076 1 302 . 1 1 33 33 ILE N N 15 111.378 0.3 . 1 . . . . 30 I N . 17076 1 303 . 1 1 34 34 ALA H H 1 8.846 0.03 . 1 . . . . 31 A HN . 17076 1 304 . 1 1 34 34 ALA HA H 1 4.929 0.03 . 1 . . . . 31 A HA . 17076 1 305 . 1 1 34 34 ALA HB1 H 1 1.392 0.03 . 1 . . . . 31 A HB1 . 17076 1 306 . 1 1 34 34 ALA HB2 H 1 1.392 0.03 . 1 . . . . 31 A HB1 . 17076 1 307 . 1 1 34 34 ALA HB3 H 1 1.392 0.03 . 1 . . . . 31 A HB1 . 17076 1 308 . 1 1 34 34 ALA C C 13 177.116 0.3 . 1 . . . . 31 A C . 17076 1 309 . 1 1 34 34 ALA CA C 13 50.893 0.3 . 1 . . . . 31 A CA . 17076 1 310 . 1 1 34 34 ALA CB C 13 20.858 0.3 . 1 . . . . 31 A CB . 17076 1 311 . 1 1 34 34 ALA N N 15 127.474 0.3 . 1 . . . . 31 A N . 17076 1 312 . 1 1 35 35 VAL H H 1 8.906 0.03 . 1 . . . . 32 V HN . 17076 1 313 . 1 1 35 35 VAL HA H 1 5.200 0.03 . 1 . . . . 32 V HA . 17076 1 314 . 1 1 35 35 VAL HB H 1 2.026 0.03 . 1 . . . . 32 V HB . 17076 1 315 . 1 1 35 35 VAL HG11 H 1 1.156 0.03 . 2 . . . . 32 V HG11 . 17076 1 316 . 1 1 35 35 VAL HG12 H 1 1.156 0.03 . 2 . . . . 32 V HG11 . 17076 1 317 . 1 1 35 35 VAL HG13 H 1 1.156 0.03 . 2 . . . . 32 V HG11 . 17076 1 318 . 1 1 35 35 VAL HG21 H 1 0.950 0.03 . 2 . . . . 32 V HG21 . 17076 1 319 . 1 1 35 35 VAL HG22 H 1 0.950 0.03 . 2 . . . . 32 V HG21 . 17076 1 320 . 1 1 35 35 VAL HG23 H 1 0.950 0.03 . 2 . . . . 32 V HG21 . 17076 1 321 . 1 1 35 35 VAL C C 13 174.538 0.3 . 1 . . . . 32 V C . 17076 1 322 . 1 1 35 35 VAL CA C 13 61.562 0.3 . 1 . . . . 32 V CA . 17076 1 323 . 1 1 35 35 VAL CB C 13 34.979 0.3 . 1 . . . . 32 V CB . 17076 1 324 . 1 1 35 35 VAL CG1 C 13 22.839 0.3 . 1 . . . . 32 V CG1 . 17076 1 325 . 1 1 35 35 VAL CG2 C 13 22.300 0.3 . 1 . . . . 32 V CG2 . 17076 1 326 . 1 1 35 35 VAL N N 15 123.574 0.3 . 1 . . . . 32 V N . 17076 1 327 . 1 1 36 36 THR H H 1 8.866 0.03 . 1 . . . . 33 T HN . 17076 1 328 . 1 1 36 36 THR HA H 1 4.506 0.03 . 1 . . . . 33 T HA . 17076 1 329 . 1 1 36 36 THR HB H 1 3.862 0.03 . 1 . . . . 33 T HB . 17076 1 330 . 1 1 36 36 THR HG21 H 1 1.082 0.03 . 1 . . . . 33 T HG21 . 17076 1 331 . 1 1 36 36 THR HG22 H 1 1.082 0.03 . 1 . . . . 33 T HG21 . 17076 1 332 . 1 1 36 36 THR HG23 H 1 1.082 0.03 . 1 . . . . 33 T HG21 . 17076 1 333 . 1 1 36 36 THR C C 13 171.305 0.3 . 1 . . . . 33 T C . 17076 1 334 . 1 1 36 36 THR CA C 13 61.057 0.3 . 1 . . . . 33 T CA . 17076 1 335 . 1 1 36 36 THR CB C 13 72.038 0.3 . 1 . . . . 33 T CB . 17076 1 336 . 1 1 36 36 THR CG2 C 13 22.536 0.3 . 1 . . . . 33 T CG2 . 17076 1 337 . 1 1 36 36 THR N N 15 123.600 0.3 . 1 . . . . 33 T N . 17076 1 338 . 1 1 37 37 SER H H 1 8.280 0.03 . 1 . . . . 34 S HN . 17076 1 339 . 1 1 37 37 SER HA H 1 5.654 0.03 . 1 . . . . 34 S HA . 17076 1 340 . 1 1 37 37 SER HB2 H 1 3.611 0.03 . 2 . . . . 34 S HB1 . 17076 1 341 . 1 1 37 37 SER HB3 H 1 3.846 0.03 . 2 . . . . 34 S HB2 . 17076 1 342 . 1 1 37 37 SER C C 13 172.883 0.3 . 1 . . . . 34 S C . 17076 1 343 . 1 1 37 37 SER CA C 13 57.627 0.3 . 1 . . . . 34 S CA . 17076 1 344 . 1 1 37 37 SER CB C 13 66.709 0.3 . 1 . . . . 34 S CB . 17076 1 345 . 1 1 37 37 SER N N 15 117.560 0.3 . 1 . . . . 34 S N . 17076 1 346 . 1 1 38 38 CYS H H 1 8.840 0.03 . 1 . . . . 35 C HN . 17076 1 347 . 1 1 38 38 CYS HA H 1 5.122 0.03 . 1 . . . . 35 C HA . 17076 1 348 . 1 1 38 38 CYS HB2 H 1 2.258 0.03 . 2 . . . . 35 C HB1 . 17076 1 349 . 1 1 38 38 CYS HB3 H 1 2.388 0.03 . 2 . . . . 35 C HB2 . 17076 1 350 . 1 1 38 38 CYS C C 13 172.152 0.3 . 1 . . . . 35 C C . 17076 1 351 . 1 1 38 38 CYS CA C 13 56.543 0.3 . 1 . . . . 35 C CA . 17076 1 352 . 1 1 38 38 CYS CB C 13 31.272 0.3 . 1 . . . . 35 C CB . 17076 1 353 . 1 1 38 38 CYS N N 15 116.398 0.3 . 1 . . . . 35 C N . 17076 1 354 . 1 1 39 39 GLY H H 1 8.600 0.03 . 1 . . . . 36 G HN . 17076 1 355 . 1 1 39 39 GLY HA2 H 1 5.546 0.03 . 2 . . . . 36 G HA1 . 17076 1 356 . 1 1 39 39 GLY HA3 H 1 3.354 0.03 . 2 . . . . 36 G HA2 . 17076 1 357 . 1 1 39 39 GLY C C 13 173.730 0.3 . 1 . . . . 36 G C . 17076 1 358 . 1 1 39 39 GLY CA C 13 43.634 0.3 . 1 . . . . 36 G CA . 17076 1 359 . 1 1 39 39 GLY N N 15 104.668 0.3 . 1 . . . . 36 G N . 17076 1 360 . 1 1 40 40 LEU H H 1 7.586 0.03 . 1 . . . . 37 L HN . 17076 1 361 . 1 1 40 40 LEU HA H 1 4.044 0.03 . 1 . . . . 37 L HA . 17076 1 362 . 1 1 40 40 LEU HB2 H 1 1.638 0.03 . 2 . . . . 37 L HB1 . 17076 1 363 . 1 1 40 40 LEU HB3 H 1 2.050 0.03 . 2 . . . . 37 L HB2 . 17076 1 364 . 1 1 40 40 LEU HD11 H 1 0.762 0.03 . 2 . . . . 37 L HD11 . 17076 1 365 . 1 1 40 40 LEU HD12 H 1 0.762 0.03 . 2 . . . . 37 L HD11 . 17076 1 366 . 1 1 40 40 LEU HD13 H 1 0.762 0.03 . 2 . . . . 37 L HD11 . 17076 1 367 . 1 1 40 40 LEU HD21 H 1 0.926 0.03 . 2 . . . . 37 L HD21 . 17076 1 368 . 1 1 40 40 LEU HD22 H 1 0.926 0.03 . 2 . . . . 37 L HD21 . 17076 1 369 . 1 1 40 40 LEU HD23 H 1 0.926 0.03 . 2 . . . . 37 L HD21 . 17076 1 370 . 1 1 40 40 LEU HG H 1 1.636 0.03 . 1 . . . . 37 L HG . 17076 1 371 . 1 1 40 40 LEU C C 13 178.732 0.3 . 1 . . . . 37 L C . 17076 1 372 . 1 1 40 40 LEU CA C 13 58.056 0.3 . 1 . . . . 37 L CA . 17076 1 373 . 1 1 40 40 LEU CB C 13 40.119 0.3 . 1 . . . . 37 L CB . 17076 1 374 . 1 1 40 40 LEU CD1 C 13 22.028 0.3 . 1 . . . . 37 L CD1 . 17076 1 375 . 1 1 40 40 LEU CD2 C 13 25.778 0.3 . 1 . . . . 37 L CD2 . 17076 1 376 . 1 1 40 40 LEU CG C 13 27.200 0.3 . 1 . . . . 37 L CG . 17076 1 377 . 1 1 40 40 LEU N N 15 121.250 0.3 . 1 . . . . 37 L N . 17076 1 378 . 1 1 41 41 GLU H H 1 8.190 0.03 . 1 . . . . 38 E HN . 17076 1 379 . 1 1 41 41 GLU HA H 1 4.468 0.03 . 1 . . . . 38 E HA . 17076 1 380 . 1 1 41 41 GLU HB2 H 1 1.880 0.03 . 2 . . . . 38 E HB1 . 17076 1 381 . 1 1 41 41 GLU HB3 H 1 2.134 0.03 . 2 . . . . 38 E HB2 . 17076 1 382 . 1 1 41 41 GLU HG2 H 1 2.301 0.03 . 2 . . . . 38 E HG1 . 17076 1 383 . 1 1 41 41 GLU HG3 H 1 2.126 0.03 . 2 . . . . 38 E HG2 . 17076 1 384 . 1 1 41 41 GLU C C 13 173.730 0.3 . 1 . . . . 38 E C . 17076 1 385 . 1 1 41 41 GLU CA C 13 54.428 0.3 . 1 . . . . 38 E CA . 17076 1 386 . 1 1 41 41 GLU CB C 13 33.862 0.3 . 1 . . . . 38 E CB . 17076 1 387 . 1 1 41 41 GLU CG C 13 36.409 0.3 . 1 . . . . 38 E CG . 17076 1 388 . 1 1 41 41 GLU N N 15 116.000 0.3 . 1 . . . . 38 E N . 17076 1 389 . 1 1 42 42 SER H H 1 8.420 0.03 . 1 . . . . 39 S HN . 17076 1 390 . 1 1 42 42 SER HA H 1 4.262 0.03 . 1 . . . . 39 S HA . 17076 1 391 . 1 1 42 42 SER HB2 H 1 3.228 0.03 . 2 . . . . 39 S HB1 . 17076 1 392 . 1 1 42 42 SER HB3 H 1 3.730 0.03 . 2 . . . . 39 S HB2 . 17076 1 393 . 1 1 42 42 SER C C 13 174.615 0.3 . 1 . . . . 39 S C . 17076 1 394 . 1 1 42 42 SER CA C 13 57.280 0.3 . 1 . . . . 39 S CA . 17076 1 395 . 1 1 42 42 SER CB C 13 65.600 0.3 . 1 . . . . 39 S CB . 17076 1 396 . 1 1 42 42 SER N N 15 112.820 0.3 . 1 . . . . 39 S N . 17076 1 397 . 1 1 43 43 SER H H 1 8.580 0.03 . 1 . . . . 40 S HN . 17076 1 398 . 1 1 43 43 SER HA H 1 4.406 0.03 . 1 . . . . 40 S HA . 17076 1 399 . 1 1 43 43 SER HB2 H 1 3.904 0.03 . 2 . . . . 40 S HB2 . 17076 1 400 . 1 1 43 43 SER C C 13 173.422 0.3 . 1 . . . . 40 S C . 17076 1 401 . 1 1 43 43 SER CA C 13 57.494 0.3 . 1 . . . . 40 S CA . 17076 1 402 . 1 1 43 43 SER CB C 13 63.341 0.3 . 1 . . . . 40 S CB . 17076 1 403 . 1 1 43 43 SER N N 15 115.100 0.3 . 1 . . . . 40 S N . 17076 1 404 . 1 1 44 44 ARG H H 1 9.052 0.03 . 1 . . . . 41 R HN . 17076 1 405 . 1 1 44 44 ARG HA H 1 4.654 0.03 . 1 . . . . 41 R HA . 17076 1 406 . 1 1 44 44 ARG HB2 H 1 1.768 0.03 . 2 . . . . 41 R HB1 . 17076 1 407 . 1 1 44 44 ARG HB3 H 1 1.948 0.03 . 2 . . . . 41 R HB2 . 17076 1 408 . 1 1 44 44 ARG HD2 H 1 3.136 0.03 . 2 . . . . 41 R HD2 . 17076 1 409 . 1 1 44 44 ARG HG2 H 1 1.368 0.03 . 2 . . . . 41 R HG1 . 17076 1 410 . 1 1 44 44 ARG HG3 H 1 1.642 0.03 . 2 . . . . 41 R HG2 . 17076 1 411 . 1 1 44 44 ARG C C 13 174.923 0.3 . 1 . . . . 41 R C . 17076 1 412 . 1 1 44 44 ARG CA C 13 54.519 0.3 . 1 . . . . 41 R CA . 17076 1 413 . 1 1 44 44 ARG CB C 13 32.431 0.3 . 1 . . . . 41 R CB . 17076 1 414 . 1 1 44 44 ARG CD C 13 43.562 0.3 . 1 . . . . 41 R CD . 17076 1 415 . 1 1 44 44 ARG CG C 13 25.544 0.3 . 1 . . . . 41 R CG . 17076 1 416 . 1 1 44 44 ARG N N 15 123.991 0.3 . 1 . . . . 41 R N . 17076 1 417 . 1 1 45 45 VAL H H 1 8.950 0.03 . 1 . . . . 42 V HN . 17076 1 418 . 1 1 45 45 VAL HA H 1 3.766 0.03 . 1 . . . . 42 V HA . 17076 1 419 . 1 1 45 45 VAL HB H 1 1.906 0.03 . 1 . . . . 42 V HB . 17076 1 420 . 1 1 45 45 VAL HG21 H 1 0.776 0.03 . 2 . . . . 42 V HG21 . 17076 1 421 . 1 1 45 45 VAL HG22 H 1 0.776 0.03 . 2 . . . . 42 V HG21 . 17076 1 422 . 1 1 45 45 VAL HG23 H 1 0.776 0.03 . 2 . . . . 42 V HG21 . 17076 1 423 . 1 1 45 45 VAL C C 13 175.307 0.3 . 1 . . . . 42 V C . 17076 1 424 . 1 1 45 45 VAL CA C 13 65.040 0.3 . 1 . . . . 42 V CA . 17076 1 425 . 1 1 45 45 VAL CB C 13 31.104 0.3 . 1 . . . . 42 V CB . 17076 1 426 . 1 1 45 45 VAL CG2 C 13 22.060 0.3 . 1 . . . . 42 V CG2 . 17076 1 427 . 1 1 45 45 VAL N N 15 124.410 0.3 . 1 . . . . 42 V N . 17076 1 428 . 1 1 46 46 HIS H H 1 8.641 0.03 . 1 . . . . 43 H HN . 17076 1 429 . 1 1 46 46 HIS HA H 1 4.365 0.03 . 1 . . . . 43 H HA . 17076 1 430 . 1 1 46 46 HIS HB2 H 1 3.028 0.03 . 2 . . . . 43 H HB1 . 17076 1 431 . 1 1 46 46 HIS HB3 H 1 3.268 0.03 . 2 . . . . 43 H HB2 . 17076 1 432 . 1 1 46 46 HIS HD2 H 1 7.185 0.03 . 1 . . . . 43 H HD2 . 17076 1 433 . 1 1 46 46 HIS C C 13 175.731 0.3 . 1 . . . . 43 H C . 17076 1 434 . 1 1 46 46 HIS CA C 13 56.433 0.3 . 1 . . . . 43 H CA . 17076 1 435 . 1 1 46 46 HIS CB C 13 32.940 0.3 . 1 . . . . 43 H CB . 17076 1 436 . 1 1 46 46 HIS CD2 C 13 118.500 0.3 . 1 . . . . 43 H CD2 . 17076 1 437 . 1 1 46 46 HIS N N 15 132.883 0.3 . 1 . . . . 43 H N . 17076 1 438 . 1 1 47 47 PRO HA H 1 4.231 0.03 . 1 . . . . 44 P HA . 17076 1 439 . 1 1 47 47 PRO HB2 H 1 2.016 0.03 . 2 . . . . 44 P HB1 . 17076 1 440 . 1 1 47 47 PRO HB3 H 1 2.391 0.03 . 2 . . . . 44 P HB2 . 17076 1 441 . 1 1 47 47 PRO HD2 H 1 3.094 0.03 . 2 . . . . 44 P HD1 . 17076 1 442 . 1 1 47 47 PRO HD3 H 1 3.780 0.03 . 2 . . . . 44 P HD2 . 17076 1 443 . 1 1 47 47 PRO HG2 H 1 1.990 0.03 . 2 . . . . 44 P HG2 . 17076 1 444 . 1 1 47 47 PRO C C 13 180.195 0.3 . 1 . . . . 44 P C . 17076 1 445 . 1 1 47 47 PRO CA C 13 65.583 0.3 . 1 . . . . 44 P CA . 17076 1 446 . 1 1 47 47 PRO CB C 13 32.163 0.3 . 1 . . . . 44 P CB . 17076 1 447 . 1 1 47 47 PRO CD C 13 51.060 0.3 . 1 . . . . 44 P CD . 17076 1 448 . 1 1 47 47 PRO CG C 13 27.639 0.3 . 1 . . . . 44 P CG . 17076 1 449 . 1 1 48 48 THR H H 1 11.340 0.03 . 1 . . . . 45 T HN . 17076 1 450 . 1 1 48 48 THR HA H 1 3.992 0.03 . 1 . . . . 45 T HA . 17076 1 451 . 1 1 48 48 THR HB H 1 3.502 0.03 . 1 . . . . 45 T HB . 17076 1 452 . 1 1 48 48 THR HG21 H 1 0.199 0.03 . 1 . . . . 45 T HG21 . 17076 1 453 . 1 1 48 48 THR HG22 H 1 0.199 0.03 . 1 . . . . 45 T HG21 . 17076 1 454 . 1 1 48 48 THR HG23 H 1 0.199 0.03 . 1 . . . . 45 T HG21 . 17076 1 455 . 1 1 48 48 THR C C 13 176.924 0.3 . 1 . . . . 45 T C . 17076 1 456 . 1 1 48 48 THR CA C 13 65.767 0.3 . 1 . . . . 45 T CA . 17076 1 457 . 1 1 48 48 THR CB C 13 67.556 0.3 . 1 . . . . 45 T CB . 17076 1 458 . 1 1 48 48 THR CG2 C 13 22.595 0.3 . 1 . . . . 45 T CG2 . 17076 1 459 . 1 1 48 48 THR N N 15 121.671 0.3 . 1 . . . . 45 T N . 17076 1 460 . 1 1 49 49 ALA H H 1 7.496 0.03 . 1 . . . . 46 A HN . 17076 1 461 . 1 1 49 49 ALA HA H 1 3.914 0.03 . 1 . . . . 46 A HA . 17076 1 462 . 1 1 49 49 ALA HB1 H 1 1.724 0.03 . 1 . . . . 46 A HB1 . 17076 1 463 . 1 1 49 49 ALA HB2 H 1 1.724 0.03 . 1 . . . . 46 A HB1 . 17076 1 464 . 1 1 49 49 ALA HB3 H 1 1.724 0.03 . 1 . . . . 46 A HB1 . 17076 1 465 . 1 1 49 49 ALA C C 13 178.963 0.3 . 1 . . . . 46 A C . 17076 1 466 . 1 1 49 49 ALA CA C 13 56.211 0.3 . 1 . . . . 46 A CA . 17076 1 467 . 1 1 49 49 ALA CB C 13 17.917 0.3 . 1 . . . . 46 A CB . 17076 1 468 . 1 1 49 49 ALA N N 15 125.000 0.3 . 1 . . . . 46 A N . 17076 1 469 . 1 1 50 50 ILE H H 1 7.911 0.03 . 1 . . . . 47 I HN . 17076 1 470 . 1 1 50 50 ILE HA H 1 3.394 0.03 . 1 . . . . 47 I HA . 17076 1 471 . 1 1 50 50 ILE HB H 1 1.962 0.03 . 1 . . . . 47 I HB . 17076 1 472 . 1 1 50 50 ILE HD11 H 1 0.796 0.03 . 1 . . . . 47 I HD11 . 17076 1 473 . 1 1 50 50 ILE HD12 H 1 0.796 0.03 . 1 . . . . 47 I HD11 . 17076 1 474 . 1 1 50 50 ILE HD13 H 1 0.796 0.03 . 1 . . . . 47 I HD11 . 17076 1 475 . 1 1 50 50 ILE HG12 H 1 0.502 0.03 . 1 . . . . 47 I HG11 . 17076 1 476 . 1 1 50 50 ILE HG13 H 1 1.764 0.03 . 1 . . . . 47 I HG12 . 17076 1 477 . 1 1 50 50 ILE HG21 H 1 0.897 0.03 . 1 . . . . 47 I HG21 . 17076 1 478 . 1 1 50 50 ILE HG22 H 1 0.897 0.03 . 1 . . . . 47 I HG21 . 17076 1 479 . 1 1 50 50 ILE HG23 H 1 0.897 0.03 . 1 . . . . 47 I HG21 . 17076 1 480 . 1 1 50 50 ILE C C 13 179.502 0.3 . 1 . . . . 47 I C . 17076 1 481 . 1 1 50 50 ILE CA C 13 65.679 0.3 . 1 . . . . 47 I CA . 17076 1 482 . 1 1 50 50 ILE CB C 13 38.046 0.3 . 1 . . . . 47 I CB . 17076 1 483 . 1 1 50 50 ILE CD1 C 13 13.486 0.3 . 1 . . . . 47 I CD1 . 17076 1 484 . 1 1 50 50 ILE CG1 C 13 29.820 0.3 . 1 . . . . 47 I CG1 . 17076 1 485 . 1 1 50 50 ILE CG2 C 13 17.493 0.3 . 1 . . . . 47 I CG2 . 17076 1 486 . 1 1 50 50 ILE N N 15 118.018 0.3 . 1 . . . . 47 I N . 17076 1 487 . 1 1 51 51 ALA H H 1 7.743 0.03 . 1 . . . . 48 A HN . 17076 1 488 . 1 1 51 51 ALA HA H 1 4.262 0.03 . 1 . . . . 48 A HA . 17076 1 489 . 1 1 51 51 ALA HB1 H 1 1.488 0.03 . 1 . . . . 48 A HB1 . 17076 1 490 . 1 1 51 51 ALA HB2 H 1 1.488 0.03 . 1 . . . . 48 A HB1 . 17076 1 491 . 1 1 51 51 ALA HB3 H 1 1.488 0.03 . 1 . . . . 48 A HB1 . 17076 1 492 . 1 1 51 51 ALA C C 13 180.810 0.3 . 1 . . . . 48 A C . 17076 1 493 . 1 1 51 51 ALA CA C 13 55.403 0.3 . 1 . . . . 48 A CA . 17076 1 494 . 1 1 51 51 ALA CB C 13 18.160 0.3 . 1 . . . . 48 A CB . 17076 1 495 . 1 1 51 51 ALA N N 15 124.143 0.3 . 1 . . . . 48 A N . 17076 1 496 . 1 1 52 52 MET H H 1 8.656 0.03 . 1 . . . . 49 M HN . 17076 1 497 . 1 1 52 52 MET HA H 1 4.508 0.03 . 1 . . . . 49 M HA . 17076 1 498 . 1 1 52 52 MET HB2 H 1 1.673 0.03 . 2 . . . . 49 M HB1 . 17076 1 499 . 1 1 52 52 MET HB3 H 1 2.290 0.03 . 2 . . . . 49 M HB2 . 17076 1 500 . 1 1 52 52 MET HE1 H 1 1.952 0.03 . 1 . . . . 49 M HE1 . 17076 1 501 . 1 1 52 52 MET HE2 H 1 1.952 0.03 . 1 . . . . 49 M HE1 . 17076 1 502 . 1 1 52 52 MET HE3 H 1 1.952 0.03 . 1 . . . . 49 M HE1 . 17076 1 503 . 1 1 52 52 MET HG2 H 1 2.453 0.03 . 2 . . . . 49 M HG2 . 17076 1 504 . 1 1 52 52 MET C C 13 179.733 0.3 . 1 . . . . 49 M C . 17076 1 505 . 1 1 52 52 MET CA C 13 56.463 0.3 . 1 . . . . 49 M CA . 17076 1 506 . 1 1 52 52 MET CB C 13 34.991 0.3 . 1 . . . . 49 M CB . 17076 1 507 . 1 1 52 52 MET CE C 13 21.626 0.3 . 1 . . . . 49 M CE . 17076 1 508 . 1 1 52 52 MET CG C 13 34.142 0.3 . 1 . . . . 49 M CG . 17076 1 509 . 1 1 52 52 MET N N 15 117.047 0.3 . 1 . . . . 49 M N . 17076 1 510 . 1 1 53 53 MET H H 1 8.000 0.03 . 1 . . . . 50 M HN . 17076 1 511 . 1 1 53 53 MET HA H 1 4.783 0.03 . 1 . . . . 50 M HA . 17076 1 512 . 1 1 53 53 MET HB2 H 1 1.892 0.03 . 2 . . . . 50 M HB1 . 17076 1 513 . 1 1 53 53 MET HB3 H 1 2.082 0.03 . 2 . . . . 50 M HB2 . 17076 1 514 . 1 1 53 53 MET HE1 H 1 2.074 0.03 . 1 . . . . 50 M HE1 . 17076 1 515 . 1 1 53 53 MET HE2 H 1 2.074 0.03 . 1 . . . . 50 M HE1 . 17076 1 516 . 1 1 53 53 MET HE3 H 1 2.074 0.03 . 1 . . . . 50 M HE1 . 17076 1 517 . 1 1 53 53 MET HG2 H 1 2.226 0.03 . 2 . . . . 50 M HG1 . 17076 1 518 . 1 1 53 53 MET HG3 H 1 2.658 0.03 . 2 . . . . 50 M HG2 . 17076 1 519 . 1 1 53 53 MET C C 13 179.079 0.3 . 1 . . . . 50 M C . 17076 1 520 . 1 1 53 53 MET CA C 13 55.286 0.3 . 1 . . . . 50 M CA . 17076 1 521 . 1 1 53 53 MET CB C 13 29.022 0.3 . 1 . . . . 50 M CB . 17076 1 522 . 1 1 53 53 MET CE C 13 17.126 0.3 . 1 . . . . 50 M CE . 17076 1 523 . 1 1 53 53 MET CG C 13 33.223 0.3 . 1 . . . . 50 M CG . 17076 1 524 . 1 1 53 53 MET N N 15 119.586 0.3 . 1 . . . . 50 M N . 17076 1 525 . 1 1 54 54 GLU H H 1 8.241 0.03 . 1 . . . . 51 E HN . 17076 1 526 . 1 1 54 54 GLU HA H 1 3.916 0.03 . 1 . . . . 51 E HA . 17076 1 527 . 1 1 54 54 GLU HB2 H 1 2.362 0.03 . 2 . . . . 51 E HB1 . 17076 1 528 . 1 1 54 54 GLU HB3 H 1 2.185 0.03 . 2 . . . . 51 E HB2 . 17076 1 529 . 1 1 54 54 GLU HG2 H 1 2.224 0.03 . 2 . . . . 51 E HG1 . 17076 1 530 . 1 1 54 54 GLU HG3 H 1 2.389 0.03 . 2 . . . . 51 E HG2 . 17076 1 531 . 1 1 54 54 GLU C C 13 180.657 0.3 . 1 . . . . 51 E C . 17076 1 532 . 1 1 54 54 GLU CA C 13 60.034 0.3 . 1 . . . . 51 E CA . 17076 1 533 . 1 1 54 54 GLU CB C 13 29.164 0.3 . 1 . . . . 51 E CB . 17076 1 534 . 1 1 54 54 GLU CG C 13 36.358 0.3 . 1 . . . . 51 E CG . 17076 1 535 . 1 1 54 54 GLU N N 15 125.357 0.3 . 1 . . . . 51 E N . 17076 1 536 . 1 1 55 55 GLU H H 1 7.528 0.03 . 1 . . . . 52 E HN . 17076 1 537 . 1 1 55 55 GLU HA H 1 4.158 0.03 . 1 . . . . 52 E HA . 17076 1 538 . 1 1 55 55 GLU HB2 H 1 2.246 0.03 . 2 . . . . 52 E HB1 . 17076 1 539 . 1 1 55 55 GLU HB3 H 1 2.152 0.03 . 2 . . . . 52 E HB2 . 17076 1 540 . 1 1 55 55 GLU HG2 H 1 2.356 0.03 . 2 . . . . 52 E HG1 . 17076 1 541 . 1 1 55 55 GLU HG3 H 1 2.662 0.03 . 2 . . . . 52 E HG2 . 17076 1 542 . 1 1 55 55 GLU C C 13 178.117 0.3 . 1 . . . . 52 E C . 17076 1 543 . 1 1 55 55 GLU CA C 13 59.418 0.3 . 1 . . . . 52 E CA . 17076 1 544 . 1 1 55 55 GLU CB C 13 30.321 0.3 . 1 . . . . 52 E CB . 17076 1 545 . 1 1 55 55 GLU CG C 13 37.168 0.3 . 1 . . . . 52 E CG . 17076 1 546 . 1 1 55 55 GLU N N 15 117.770 0.3 . 1 . . . . 52 E N . 17076 1 547 . 1 1 56 56 VAL H H 1 7.222 0.03 . 1 . . . . 53 V HN . 17076 1 548 . 1 1 56 56 VAL HA H 1 4.754 0.03 . 1 . . . . 53 V HA . 17076 1 549 . 1 1 56 56 VAL HB H 1 2.779 0.03 . 1 . . . . 53 V HB . 17076 1 550 . 1 1 56 56 VAL HG11 H 1 1.105 0.03 . 2 . . . . 53 V HG11 . 17076 1 551 . 1 1 56 56 VAL HG12 H 1 1.105 0.03 . 2 . . . . 53 V HG11 . 17076 1 552 . 1 1 56 56 VAL HG13 H 1 1.105 0.03 . 2 . . . . 53 V HG11 . 17076 1 553 . 1 1 56 56 VAL HG21 H 1 1.000 0.03 . 2 . . . . 53 V HG21 . 17076 1 554 . 1 1 56 56 VAL HG22 H 1 1.000 0.03 . 2 . . . . 53 V HG21 . 17076 1 555 . 1 1 56 56 VAL HG23 H 1 1.000 0.03 . 2 . . . . 53 V HG21 . 17076 1 556 . 1 1 56 56 VAL C C 13 175.808 0.3 . 1 . . . . 53 V C . 17076 1 557 . 1 1 56 56 VAL CA C 13 59.708 0.3 . 1 . . . . 53 V CA . 17076 1 558 . 1 1 56 56 VAL CB C 13 30.442 0.3 . 1 . . . . 53 V CB . 17076 1 559 . 1 1 56 56 VAL CG1 C 13 19.812 0.3 . 1 . . . . 53 V CG1 . 17076 1 560 . 1 1 56 56 VAL CG2 C 13 21.416 0.3 . 1 . . . . 53 V CG2 . 17076 1 561 . 1 1 56 56 VAL N N 15 108.491 0.3 . 1 . . . . 53 V N . 17076 1 562 . 1 1 57 57 GLY H H 1 7.840 0.03 . 1 . . . . 54 G HN . 17076 1 563 . 1 1 57 57 GLY HA2 H 1 3.854 0.03 . 2 . . . . 54 G HA1 . 17076 1 564 . 1 1 57 57 GLY HA3 H 1 4.096 0.03 . 2 . . . . 54 G HA2 . 17076 1 565 . 1 1 57 57 GLY C C 13 174.422 0.3 . 1 . . . . 54 G C . 17076 1 566 . 1 1 57 57 GLY CA C 13 46.389 0.3 . 1 . . . . 54 G CA . 17076 1 567 . 1 1 57 57 GLY N N 15 109.252 0.3 . 1 . . . . 54 G N . 17076 1 568 . 1 1 58 58 ILE H H 1 7.900 0.03 . 1 . . . . 55 I HN . 17076 1 569 . 1 1 58 58 ILE HA H 1 4.136 0.03 . 1 . . . . 55 I HA . 17076 1 570 . 1 1 58 58 ILE HB H 1 1.122 0.03 . 1 . . . . 55 I HB . 17076 1 571 . 1 1 58 58 ILE HD11 H 1 0.582 0.03 . 1 . . . . 55 I HD11 . 17076 1 572 . 1 1 58 58 ILE HD12 H 1 0.582 0.03 . 1 . . . . 55 I HD11 . 17076 1 573 . 1 1 58 58 ILE HD13 H 1 0.582 0.03 . 1 . . . . 55 I HD11 . 17076 1 574 . 1 1 58 58 ILE HG12 H 1 0.908 0.03 . 1 . . . . 55 I HG11 . 17076 1 575 . 1 1 58 58 ILE HG13 H 1 1.442 0.03 . 1 . . . . 55 I HG12 . 17076 1 576 . 1 1 58 58 ILE HG21 H 1 0.400 0.03 . 1 . . . . 55 I HG21 . 17076 1 577 . 1 1 58 58 ILE HG22 H 1 0.400 0.03 . 1 . . . . 55 I HG21 . 17076 1 578 . 1 1 58 58 ILE HG23 H 1 0.400 0.03 . 1 . . . . 55 I HG21 . 17076 1 579 . 1 1 58 58 ILE C C 13 173.537 0.3 . 1 . . . . 55 I C . 17076 1 580 . 1 1 58 58 ILE CA C 13 60.663 0.3 . 1 . . . . 55 I CA . 17076 1 581 . 1 1 58 58 ILE CB C 13 41.067 0.3 . 1 . . . . 55 I CB . 17076 1 582 . 1 1 58 58 ILE CD1 C 13 14.900 0.3 . 1 . . . . 55 I CD1 . 17076 1 583 . 1 1 58 58 ILE CG1 C 13 27.324 0.3 . 1 . . . . 55 I CG1 . 17076 1 584 . 1 1 58 58 ILE CG2 C 13 16.854 0.3 . 1 . . . . 55 I CG2 . 17076 1 585 . 1 1 58 58 ILE N N 15 121.993 0.3 . 1 . . . . 55 I N . 17076 1 586 . 1 1 59 59 ASP H H 1 8.766 0.03 . 1 . . . . 56 D HN . 17076 1 587 . 1 1 59 59 ASP HA H 1 4.726 0.03 . 1 . . . . 56 D HA . 17076 1 588 . 1 1 59 59 ASP HB2 H 1 2.619 0.03 . 2 . . . . 56 D HB1 . 17076 1 589 . 1 1 59 59 ASP HB3 H 1 2.870 0.03 . 2 . . . . 56 D HB2 . 17076 1 590 . 1 1 59 59 ASP C C 13 177.424 0.3 . 1 . . . . 56 D C . 17076 1 591 . 1 1 59 59 ASP CA C 13 52.376 0.3 . 1 . . . . 56 D CA . 17076 1 592 . 1 1 59 59 ASP CB C 13 41.030 0.3 . 1 . . . . 56 D CB . 17076 1 593 . 1 1 59 59 ASP N N 15 127.780 0.3 . 1 . . . . 56 D N . 17076 1 594 . 1 1 60 60 ILE H H 1 8.684 0.03 . 1 . . . . 57 I HN . 17076 1 595 . 1 1 60 60 ILE HA H 1 4.468 0.03 . 1 . . . . 57 I HA . 17076 1 596 . 1 1 60 60 ILE HB H 1 2.225 0.03 . 1 . . . . 57 I HB . 17076 1 597 . 1 1 60 60 ILE HD11 H 1 0.490 0.03 . 1 . . . . 57 I HD11 . 17076 1 598 . 1 1 60 60 ILE HD12 H 1 0.490 0.03 . 1 . . . . 57 I HD11 . 17076 1 599 . 1 1 60 60 ILE HD13 H 1 0.490 0.03 . 1 . . . . 57 I HD11 . 17076 1 600 . 1 1 60 60 ILE HG12 H 1 0.972 0.03 . 1 . . . . 57 I HG11 . 17076 1 601 . 1 1 60 60 ILE HG13 H 1 1.090 0.03 . 1 . . . . 57 I HG12 . 17076 1 602 . 1 1 60 60 ILE HG21 H 1 0.694 0.03 . 1 . . . . 57 I HG21 . 17076 1 603 . 1 1 60 60 ILE HG22 H 1 0.694 0.03 . 1 . . . . 57 I HG21 . 17076 1 604 . 1 1 60 60 ILE HG23 H 1 0.694 0.03 . 1 . . . . 57 I HG21 . 17076 1 605 . 1 1 60 60 ILE C C 13 176.847 0.3 . 1 . . . . 57 I C . 17076 1 606 . 1 1 60 60 ILE CA C 13 61.115 0.3 . 1 . . . . 57 I CA . 17076 1 607 . 1 1 60 60 ILE CB C 13 38.335 0.3 . 1 . . . . 57 I CB . 17076 1 608 . 1 1 60 60 ILE CD1 C 13 14.702 0.3 . 1 . . . . 57 I CD1 . 17076 1 609 . 1 1 60 60 ILE CG1 C 13 27.909 0.3 . 1 . . . . 57 I CG1 . 17076 1 610 . 1 1 60 60 ILE CG2 C 13 18.400 0.3 . 1 . . . . 57 I CG2 . 17076 1 611 . 1 1 60 60 ILE N N 15 120.620 0.3 . 1 . . . . 57 I N . 17076 1 612 . 1 1 61 61 SER H H 1 8.740 0.03 . 1 . . . . 58 S HN . 17076 1 613 . 1 1 61 61 SER HA H 1 3.955 0.03 . 1 . . . . 58 S HA . 17076 1 614 . 1 1 61 61 SER HB2 H 1 3.250 0.03 . 2 . . . . 58 S HB1 . 17076 1 615 . 1 1 61 61 SER HB3 H 1 3.765 0.03 . 2 . . . . 58 S HB2 . 17076 1 616 . 1 1 61 61 SER C C 13 175.038 0.3 . 1 . . . . 58 S C . 17076 1 617 . 1 1 61 61 SER CA C 13 62.056 0.3 . 1 . . . . 58 S CA . 17076 1 618 . 1 1 61 61 SER CB C 13 63.065 0.3 . 1 . . . . 58 S CB . 17076 1 619 . 1 1 61 61 SER N N 15 119.406 0.3 . 1 . . . . 58 S N . 17076 1 620 . 1 1 62 62 GLY H H 1 8.534 0.03 . 1 . . . . 59 G HN . 17076 1 621 . 1 1 62 62 GLY HA2 H 1 3.545 0.03 . 2 . . . . 59 G HA1 . 17076 1 622 . 1 1 62 62 GLY HA3 H 1 4.358 0.03 . 2 . . . . 59 G HA2 . 17076 1 623 . 1 1 62 62 GLY C C 13 175.115 0.3 . 1 . . . . 59 G C . 17076 1 624 . 1 1 62 62 GLY CA C 13 44.638 0.3 . 1 . . . . 59 G CA . 17076 1 625 . 1 1 62 62 GLY N N 15 111.454 0.3 . 1 . . . . 59 G N . 17076 1 626 . 1 1 63 63 GLN H H 1 7.312 0.03 . 1 . . . . 60 Q HN . 17076 1 627 . 1 1 63 63 GLN HA H 1 4.392 0.03 . 1 . . . . 60 Q HA . 17076 1 628 . 1 1 63 63 GLN HB2 H 1 2.084 0.03 . 2 . . . . 60 Q HB1 . 17076 1 629 . 1 1 63 63 GLN HB3 H 1 2.374 0.03 . 2 . . . . 60 Q HB2 . 17076 1 630 . 1 1 63 63 GLN HE21 H 1 8.539 0.03 . 2 . . . . 60 Q HE21 . 17076 1 631 . 1 1 63 63 GLN HE22 H 1 6.412 0.03 . 2 . . . . 60 Q HE22 . 17076 1 632 . 1 1 63 63 GLN HG2 H 1 2.222 0.03 . 2 . . . . 60 Q HG2 . 17076 1 633 . 1 1 63 63 GLN C C 13 174.884 0.3 . 1 . . . . 60 Q C . 17076 1 634 . 1 1 63 63 GLN CA C 13 56.280 0.3 . 1 . . . . 60 Q CA . 17076 1 635 . 1 1 63 63 GLN CB C 13 28.537 0.3 . 1 . . . . 60 Q CB . 17076 1 636 . 1 1 63 63 GLN CG C 13 36.998 0.3 . 1 . . . . 60 Q CG . 17076 1 637 . 1 1 63 63 GLN N N 15 121.700 0.3 . 1 . . . . 60 Q N . 17076 1 638 . 1 1 63 63 GLN NE2 N 15 111.092 0.3 . 1 . . . . 60 Q NE2 . 17076 1 639 . 1 1 64 64 THR H H 1 8.364 0.03 . 1 . . . . 61 T HN . 17076 1 640 . 1 1 64 64 THR HA H 1 4.408 0.03 . 1 . . . . 61 T HA . 17076 1 641 . 1 1 64 64 THR HB H 1 4.252 0.03 . 1 . . . . 61 T HB . 17076 1 642 . 1 1 64 64 THR HG21 H 1 1.182 0.03 . 1 . . . . 61 T HG21 . 17076 1 643 . 1 1 64 64 THR HG22 H 1 1.182 0.03 . 1 . . . . 61 T HG21 . 17076 1 644 . 1 1 64 64 THR HG23 H 1 1.182 0.03 . 1 . . . . 61 T HG21 . 17076 1 645 . 1 1 64 64 THR C C 13 175.577 0.3 . 1 . . . . 61 T C . 17076 1 646 . 1 1 64 64 THR CA C 13 60.338 0.3 . 1 . . . . 61 T CA . 17076 1 647 . 1 1 64 64 THR CB C 13 69.828 0.3 . 1 . . . . 61 T CB . 17076 1 648 . 1 1 64 64 THR CG2 C 13 21.956 0.3 . 1 . . . . 61 T CG2 . 17076 1 649 . 1 1 64 64 THR N N 15 109.901 0.3 . 1 . . . . 61 T N . 17076 1 650 . 1 1 65 65 SER H H 1 8.750 0.03 . 1 . . . . 62 S HN . 17076 1 651 . 1 1 65 65 SER HA H 1 5.042 0.03 . 1 . . . . 62 S HA . 17076 1 652 . 1 1 65 65 SER HB2 H 1 3.251 0.03 . 2 . . . . 62 S HB1 . 17076 1 653 . 1 1 65 65 SER HB3 H 1 3.686 0.03 . 2 . . . . 62 S HB2 . 17076 1 654 . 1 1 65 65 SER C C 13 174.307 0.3 . 1 . . . . 62 S C . 17076 1 655 . 1 1 65 65 SER CA C 13 55.500 0.3 . 1 . . . . 62 S CA . 17076 1 656 . 1 1 65 65 SER CB C 13 63.717 0.3 . 1 . . . . 62 S CB . 17076 1 657 . 1 1 65 65 SER N N 15 119.550 0.3 . 1 . . . . 62 S N . 17076 1 658 . 1 1 66 66 ASP H H 1 9.756 0.03 . 1 . . . . 63 D HN . 17076 1 659 . 1 1 66 66 ASP HA H 1 5.076 0.03 . 1 . . . . 63 D HA . 17076 1 660 . 1 1 66 66 ASP HB2 H 1 2.572 0.03 . 2 . . . . 63 D HB1 . 17076 1 661 . 1 1 66 66 ASP HB3 H 1 2.716 0.03 . 2 . . . . 63 D HB2 . 17076 1 662 . 1 1 66 66 ASP C C 13 172.768 0.3 . 1 . . . . 63 D C . 17076 1 663 . 1 1 66 66 ASP CA C 13 51.968 0.3 . 1 . . . . 63 D CA . 17076 1 664 . 1 1 66 66 ASP CB C 13 40.827 0.3 . 1 . . . . 63 D CB . 17076 1 665 . 1 1 66 66 ASP N N 15 128.961 0.3 . 1 . . . . 63 D N . 17076 1 666 . 1 1 67 67 PRO HA H 1 4.795 0.03 . 1 . . . . 64 P HA . 17076 1 667 . 1 1 67 67 PRO HB2 H 1 2.073 0.03 . 2 . . . . 64 P HB1 . 17076 1 668 . 1 1 67 67 PRO HB3 H 1 2.414 0.03 . 2 . . . . 64 P HB2 . 17076 1 669 . 1 1 67 67 PRO HD2 H 1 3.909 0.03 . 2 . . . . 64 P HD2 . 17076 1 670 . 1 1 67 67 PRO HG2 H 1 2.851 0.03 . 2 . . . . 64 P HG2 . 17076 1 671 . 1 1 67 67 PRO C C 13 178.117 0.3 . 1 . . . . 64 P C . 17076 1 672 . 1 1 67 67 PRO CA C 13 61.710 0.3 . 1 . . . . 64 P CA . 17076 1 673 . 1 1 67 67 PRO CB C 13 31.970 0.3 . 1 . . . . 64 P CB . 17076 1 674 . 1 1 67 67 PRO CD C 13 50.520 0.3 . 1 . . . . 64 P CD . 17076 1 675 . 1 1 68 68 ILE H H 1 8.739 0.03 . 1 . . . . 65 I HN . 17076 1 676 . 1 1 68 68 ILE HA H 1 4.118 0.03 . 1 . . . . 65 I HA . 17076 1 677 . 1 1 68 68 ILE HB H 1 1.251 0.03 . 1 . . . . 65 I HB . 17076 1 678 . 1 1 68 68 ILE HD11 H 1 -0.498 0.03 . 1 . . . . 65 I HD11 . 17076 1 679 . 1 1 68 68 ILE HD12 H 1 -0.498 0.03 . 1 . . . . 65 I HD11 . 17076 1 680 . 1 1 68 68 ILE HD13 H 1 -0.498 0.03 . 1 . . . . 65 I HD11 . 17076 1 681 . 1 1 68 68 ILE HG12 H 1 0.976 0.03 . 1 . . . . 65 I HG11 . 17076 1 682 . 1 1 68 68 ILE HG13 H 1 0.751 0.03 . 1 . . . . 65 I HG12 . 17076 1 683 . 1 1 68 68 ILE HG21 H 1 0.942 0.03 . 1 . . . . 65 I HG21 . 17076 1 684 . 1 1 68 68 ILE HG22 H 1 0.942 0.03 . 1 . . . . 65 I HG21 . 17076 1 685 . 1 1 68 68 ILE HG23 H 1 0.942 0.03 . 1 . . . . 65 I HG21 . 17076 1 686 . 1 1 68 68 ILE C C 13 176.270 0.3 . 1 . . . . 65 I C . 17076 1 687 . 1 1 68 68 ILE CA C 13 64.909 0.3 . 1 . . . . 65 I CA . 17076 1 688 . 1 1 68 68 ILE CB C 13 39.149 0.3 . 1 . . . . 65 I CB . 17076 1 689 . 1 1 68 68 ILE CD1 C 13 12.888 0.3 . 1 . . . . 65 I CD1 . 17076 1 690 . 1 1 68 68 ILE CG1 C 13 29.480 0.3 . 1 . . . . 65 I CG1 . 17076 1 691 . 1 1 68 68 ILE CG2 C 13 16.010 0.3 . 1 . . . . 65 I CG2 . 17076 1 692 . 1 1 68 68 ILE N N 15 124.169 0.3 . 1 . . . . 65 I N . 17076 1 693 . 1 1 69 69 GLU H H 1 8.600 0.03 . 1 . . . . 66 E HN . 17076 1 694 . 1 1 69 69 GLU HA H 1 4.392 0.03 . 1 . . . . 66 E HA . 17076 1 695 . 1 1 69 69 GLU HB2 H 1 2.150 0.03 . 2 . . . . 66 E HB2 . 17076 1 696 . 1 1 69 69 GLU HG2 H 1 2.348 0.03 . 2 . . . . 66 E HG2 . 17076 1 697 . 1 1 69 69 GLU C C 13 176.846 0.3 . 1 . . . . 66 E C . 17076 1 698 . 1 1 69 69 GLU CA C 13 58.833 0.3 . 1 . . . . 66 E CA . 17076 1 699 . 1 1 69 69 GLU CB C 13 28.564 0.3 . 1 . . . . 66 E CB . 17076 1 700 . 1 1 69 69 GLU CG C 13 36.290 0.3 . 1 . . . . 66 E CG . 17076 1 701 . 1 1 69 69 GLU N N 15 120.089 0.3 . 1 . . . . 66 E N . 17076 1 702 . 1 1 70 70 ASN H H 1 7.768 0.03 . 1 . . . . 67 N HN . 17076 1 703 . 1 1 70 70 ASN HA H 1 4.548 0.03 . 1 . . . . 67 N HA . 17076 1 704 . 1 1 70 70 ASN HB2 H 1 2.406 0.03 . 2 . . . . 67 N HB2 . 17076 1 705 . 1 1 70 70 ASN HD21 H 1 7.556 0.03 . 2 . . . . 67 N HD21 . 17076 1 706 . 1 1 70 70 ASN HD22 H 1 6.876 0.03 . 2 . . . . 67 N HD22 . 17076 1 707 . 1 1 70 70 ASN C C 13 173.922 0.3 . 1 . . . . 67 N C . 17076 1 708 . 1 1 70 70 ASN CA C 13 52.898 0.3 . 1 . . . . 67 N CA . 17076 1 709 . 1 1 70 70 ASN CB C 13 37.169 0.3 . 1 . . . . 67 N CB . 17076 1 710 . 1 1 70 70 ASN N N 15 118.980 0.3 . 1 . . . . 67 N N . 17076 1 711 . 1 1 70 70 ASN ND2 N 15 110.180 0.3 . 1 . . . . 67 N ND2 . 17076 1 712 . 1 1 71 71 PHE H H 1 8.026 0.03 . 1 . . . . 68 F HN . 17076 1 713 . 1 1 71 71 PHE HA H 1 4.884 0.03 . 1 . . . . 68 F HA . 17076 1 714 . 1 1 71 71 PHE HB2 H 1 3.030 0.03 . 2 . . . . 68 F HB1 . 17076 1 715 . 1 1 71 71 PHE HB3 H 1 3.402 0.03 . 2 . . . . 68 F HB2 . 17076 1 716 . 1 1 71 71 PHE HD1 H 1 7.346 0.03 . 3 . . . . 68 F HD1 . 17076 1 717 . 1 1 71 71 PHE HE1 H 1 6.560 0.03 . 3 . . . . 68 F HE1 . 17076 1 718 . 1 1 71 71 PHE HZ H 1 7.205 0.03 . 1 . . . . 68 F HZ . 17076 1 719 . 1 1 71 71 PHE C C 13 173.076 0.3 . 1 . . . . 68 F C . 17076 1 720 . 1 1 71 71 PHE CA C 13 57.130 0.3 . 1 . . . . 68 F CA . 17076 1 721 . 1 1 71 71 PHE CB C 13 42.967 0.3 . 1 . . . . 68 F CB . 17076 1 722 . 1 1 71 71 PHE CD1 C 13 133.000 0.3 . 3 . . . . 68 F CD1 . 17076 1 723 . 1 1 71 71 PHE CE1 C 13 124.100 0.3 . 3 . . . . 68 F CE1 . 17076 1 724 . 1 1 71 71 PHE N N 15 119.527 0.3 . 1 . . . . 68 F N . 17076 1 725 . 1 1 72 72 ASN H H 1 9.101 0.03 . 1 . . . . 69 N HN . 17076 1 726 . 1 1 72 72 ASN HA H 1 5.010 0.03 . 1 . . . . 69 N HA . 17076 1 727 . 1 1 72 72 ASN HB2 H 1 2.674 0.03 . 2 . . . . 69 N HB1 . 17076 1 728 . 1 1 72 72 ASN HB3 H 1 2.891 0.03 . 2 . . . . 69 N HB2 . 17076 1 729 . 1 1 72 72 ASN HD21 H 1 7.519 0.03 . 2 . . . . 69 N HD21 . 17076 1 730 . 1 1 72 72 ASN HD22 H 1 6.959 0.03 . 2 . . . . 69 N HD22 . 17076 1 731 . 1 1 72 72 ASN C C 13 174.961 0.3 . 1 . . . . 69 N C . 17076 1 732 . 1 1 72 72 ASN CA C 13 51.346 0.3 . 1 . . . . 69 N CA . 17076 1 733 . 1 1 72 72 ASN CB C 13 39.676 0.3 . 1 . . . . 69 N CB . 17076 1 734 . 1 1 72 72 ASN N N 15 120.600 0.3 . 1 . . . . 69 N N . 17076 1 735 . 1 1 72 72 ASN ND2 N 15 114.400 0.3 . 1 . . . . 69 N ND2 . 17076 1 736 . 1 1 73 73 ALA H H 1 8.293 0.03 . 1 . . . . 70 A HN . 17076 1 737 . 1 1 73 73 ALA HA H 1 1.891 0.03 . 1 . . . . 70 A HA . 17076 1 738 . 1 1 73 73 ALA HB1 H 1 -0.274 0.03 . 1 . . . . 70 A HB1 . 17076 1 739 . 1 1 73 73 ALA HB2 H 1 -0.274 0.03 . 1 . . . . 70 A HB1 . 17076 1 740 . 1 1 73 73 ALA HB3 H 1 -0.274 0.03 . 1 . . . . 70 A HB1 . 17076 1 741 . 1 1 73 73 ALA C C 13 177.309 0.3 . 1 . . . . 70 A C . 17076 1 742 . 1 1 73 73 ALA CA C 13 54.776 0.3 . 1 . . . . 70 A CA . 17076 1 743 . 1 1 73 73 ALA CB C 13 18.152 0.3 . 1 . . . . 70 A CB . 17076 1 744 . 1 1 73 73 ALA N N 15 130.736 0.3 . 1 . . . . 70 A N . 17076 1 745 . 1 1 74 74 ASP H H 1 7.382 0.03 . 1 . . . . 71 D HN . 17076 1 746 . 1 1 74 74 ASP HA H 1 4.227 0.03 . 1 . . . . 71 D HA . 17076 1 747 . 1 1 74 74 ASP HB2 H 1 2.359 0.03 . 2 . . . . 71 D HB1 . 17076 1 748 . 1 1 74 74 ASP HB3 H 1 2.504 0.03 . 2 . . . . 71 D HB2 . 17076 1 749 . 1 1 74 74 ASP C C 13 177.539 0.3 . 1 . . . . 71 D C . 17076 1 750 . 1 1 74 74 ASP CA C 13 55.225 0.3 . 1 . . . . 71 D CA . 17076 1 751 . 1 1 74 74 ASP CB C 13 40.532 0.3 . 1 . . . . 71 D CB . 17076 1 752 . 1 1 74 74 ASP N N 15 109.720 0.3 . 1 . . . . 71 D N . 17076 1 753 . 1 1 75 75 ASP H H 1 7.689 0.03 . 1 . . . . 72 D HN . 17076 1 754 . 1 1 75 75 ASP HA H 1 4.229 0.03 . 1 . . . . 72 D HA . 17076 1 755 . 1 1 75 75 ASP HB2 H 1 2.196 0.03 . 2 . . . . 72 D HB1 . 17076 1 756 . 1 1 75 75 ASP HB3 H 1 2.719 0.03 . 2 . . . . 72 D HB2 . 17076 1 757 . 1 1 75 75 ASP C C 13 175.577 0.3 . 1 . . . . 72 D C . 17076 1 758 . 1 1 75 75 ASP CA C 13 55.378 0.3 . 1 . . . . 72 D CA . 17076 1 759 . 1 1 75 75 ASP CB C 13 40.504 0.3 . 1 . . . . 72 D CB . 17076 1 760 . 1 1 75 75 ASP N N 15 118.220 0.3 . 1 . . . . 72 D N . 17076 1 761 . 1 1 76 76 TYR H H 1 7.644 0.03 . 1 . . . . 73 Y HN . 17076 1 762 . 1 1 76 76 TYR HA H 1 4.094 0.03 . 1 . . . . 73 Y HA . 17076 1 763 . 1 1 76 76 TYR HB2 H 1 2.669 0.03 . 2 . . . . 73 Y HB1 . 17076 1 764 . 1 1 76 76 TYR HB3 H 1 2.822 0.03 . 2 . . . . 73 Y HB2 . 17076 1 765 . 1 1 76 76 TYR HD1 H 1 7.004 0.03 . 3 . . . . 73 Y HD1 . 17076 1 766 . 1 1 76 76 TYR HE1 H 1 7.132 0.03 . 3 . . . . 73 Y HE1 . 17076 1 767 . 1 1 76 76 TYR C C 13 173.845 0.3 . 1 . . . . 73 Y C . 17076 1 768 . 1 1 76 76 TYR CA C 13 59.476 0.3 . 1 . . . . 73 Y CA . 17076 1 769 . 1 1 76 76 TYR CB C 13 40.118 0.3 . 1 . . . . 73 Y CB . 17076 1 770 . 1 1 76 76 TYR CE1 C 13 130.260 0.3 . 3 . . . . 73 Y CE1 . 17076 1 771 . 1 1 76 76 TYR N N 15 118.522 0.3 . 1 . . . . 73 Y N . 17076 1 772 . 1 1 77 77 ASP H H 1 8.480 0.03 . 1 . . . . 74 D HN . 17076 1 773 . 1 1 77 77 ASP HA H 1 4.946 0.03 . 1 . . . . 74 D HA . 17076 1 774 . 1 1 77 77 ASP HB2 H 1 2.635 0.03 . 2 . . . . 74 D HB1 . 17076 1 775 . 1 1 77 77 ASP HB3 H 1 2.946 0.03 . 2 . . . . 74 D HB2 . 17076 1 776 . 1 1 77 77 ASP C C 13 174.307 0.3 . 1 . . . . 74 D C . 17076 1 777 . 1 1 77 77 ASP CA C 13 56.186 0.3 . 1 . . . . 74 D CA . 17076 1 778 . 1 1 77 77 ASP CB C 13 44.888 0.3 . 1 . . . . 74 D CB . 17076 1 779 . 1 1 77 77 ASP N N 15 120.210 0.3 . 1 . . . . 74 D N . 17076 1 780 . 1 1 78 78 VAL H H 1 7.915 0.03 . 1 . . . . 75 V HN . 17076 1 781 . 1 1 78 78 VAL HA H 1 4.622 0.03 . 1 . . . . 75 V HA . 17076 1 782 . 1 1 78 78 VAL HB H 1 1.958 0.03 . 1 . . . . 75 V HB . 17076 1 783 . 1 1 78 78 VAL HG11 H 1 0.831 0.03 . 2 . . . . 75 V HG11 . 17076 1 784 . 1 1 78 78 VAL HG12 H 1 0.831 0.03 . 2 . . . . 75 V HG11 . 17076 1 785 . 1 1 78 78 VAL HG13 H 1 0.831 0.03 . 2 . . . . 75 V HG11 . 17076 1 786 . 1 1 78 78 VAL HG21 H 1 0.696 0.03 . 2 . . . . 75 V HG21 . 17076 1 787 . 1 1 78 78 VAL HG22 H 1 0.696 0.03 . 2 . . . . 75 V HG21 . 17076 1 788 . 1 1 78 78 VAL HG23 H 1 0.696 0.03 . 2 . . . . 75 V HG21 . 17076 1 789 . 1 1 78 78 VAL C C 13 173.614 0.3 . 1 . . . . 75 V C . 17076 1 790 . 1 1 78 78 VAL CA C 13 60.273 0.3 . 1 . . . . 75 V CA . 17076 1 791 . 1 1 78 78 VAL CB C 13 35.156 0.3 . 1 . . . . 75 V CB . 17076 1 792 . 1 1 78 78 VAL CG1 C 13 20.188 0.3 . 1 . . . . 75 V CG1 . 17076 1 793 . 1 1 78 78 VAL CG2 C 13 21.867 0.3 . 1 . . . . 75 V CG2 . 17076 1 794 . 1 1 78 78 VAL N N 15 116.760 0.3 . 1 . . . . 75 V N . 17076 1 795 . 1 1 79 79 VAL H H 1 8.389 0.03 . 1 . . . . 76 V HN . 17076 1 796 . 1 1 79 79 VAL HA H 1 4.660 0.03 . 1 . . . . 76 V HA . 17076 1 797 . 1 1 79 79 VAL HB H 1 2.322 0.03 . 1 . . . . 76 V HB . 17076 1 798 . 1 1 79 79 VAL HG11 H 1 1.242 0.03 . 2 . . . . 76 V HG11 . 17076 1 799 . 1 1 79 79 VAL HG12 H 1 1.242 0.03 . 2 . . . . 76 V HG11 . 17076 1 800 . 1 1 79 79 VAL HG13 H 1 1.242 0.03 . 2 . . . . 76 V HG11 . 17076 1 801 . 1 1 79 79 VAL HG21 H 1 1.066 0.03 . 2 . . . . 76 V HG21 . 17076 1 802 . 1 1 79 79 VAL HG22 H 1 1.066 0.03 . 2 . . . . 76 V HG21 . 17076 1 803 . 1 1 79 79 VAL HG23 H 1 1.066 0.03 . 2 . . . . 76 V HG21 . 17076 1 804 . 1 1 79 79 VAL C C 13 172.537 0.3 . 1 . . . . 76 V C . 17076 1 805 . 1 1 79 79 VAL CA C 13 60.957 0.3 . 1 . . . . 76 V CA . 17076 1 806 . 1 1 79 79 VAL CB C 13 35.362 0.3 . 1 . . . . 76 V CB . 17076 1 807 . 1 1 79 79 VAL CG1 C 13 20.480 0.3 . 1 . . . . 76 V CG1 . 17076 1 808 . 1 1 79 79 VAL CG2 C 13 21.062 0.3 . 1 . . . . 76 V CG2 . 17076 1 809 . 1 1 79 79 VAL N N 15 128.345 0.3 . 1 . . . . 76 V N . 17076 1 810 . 1 1 80 80 ILE H H 1 8.474 0.03 . 1 . . . . 77 I HN . 17076 1 811 . 1 1 80 80 ILE HA H 1 4.448 0.03 . 1 . . . . 77 I HA . 17076 1 812 . 1 1 80 80 ILE HB H 1 1.436 0.03 . 1 . . . . 77 I HB . 17076 1 813 . 1 1 80 80 ILE HD11 H 1 0.242 0.03 . 1 . . . . 77 I HD11 . 17076 1 814 . 1 1 80 80 ILE HD12 H 1 0.242 0.03 . 1 . . . . 77 I HD11 . 17076 1 815 . 1 1 80 80 ILE HD13 H 1 0.242 0.03 . 1 . . . . 77 I HD11 . 17076 1 816 . 1 1 80 80 ILE HG12 H 1 0.394 0.03 . 1 . . . . 77 I HG11 . 17076 1 817 . 1 1 80 80 ILE HG13 H 1 0.635 0.03 . 1 . . . . 77 I HG12 . 17076 1 818 . 1 1 80 80 ILE HG21 H 1 -1.100 0.03 . 1 . . . . 77 I HG21 . 17076 1 819 . 1 1 80 80 ILE HG22 H 1 -1.100 0.03 . 1 . . . . 77 I HG21 . 17076 1 820 . 1 1 80 80 ILE HG23 H 1 -1.100 0.03 . 1 . . . . 77 I HG21 . 17076 1 821 . 1 1 80 80 ILE C C 13 176.231 0.3 . 1 . . . . 77 I C . 17076 1 822 . 1 1 80 80 ILE CA C 13 55.895 0.3 . 1 . . . . 77 I CA . 17076 1 823 . 1 1 80 80 ILE CB C 13 37.647 0.3 . 1 . . . . 77 I CB . 17076 1 824 . 1 1 80 80 ILE CD1 C 13 10.640 0.3 . 1 . . . . 77 I CD1 . 17076 1 825 . 1 1 80 80 ILE CG1 C 13 24.960 0.3 . 1 . . . . 77 I CG1 . 17076 1 826 . 1 1 80 80 ILE CG2 C 13 13.900 0.3 . 1 . . . . 77 I CG2 . 17076 1 827 . 1 1 80 80 ILE N N 15 126.888 0.3 . 1 . . . . 77 I N . 17076 1 828 . 1 1 81 81 SER H H 1 8.615 0.03 . 1 . . . . 78 S HN . 17076 1 829 . 1 1 81 81 SER HA H 1 5.023 0.03 . 1 . . . . 78 S HA . 17076 1 830 . 1 1 81 81 SER HB2 H 1 4.348 0.03 . 2 . . . . 78 S HB1 . 17076 1 831 . 1 1 81 81 SER HB3 H 1 3.788 0.03 . 2 . . . . 78 S HB2 . 17076 1 832 . 1 1 81 81 SER C C 13 174.615 0.3 . 1 . . . . 78 S C . 17076 1 833 . 1 1 81 81 SER CA C 13 56.063 0.3 . 1 . . . . 78 S CA . 17076 1 834 . 1 1 81 81 SER CB C 13 64.950 0.3 . 1 . . . . 78 S CB . 17076 1 835 . 1 1 81 81 SER N N 15 119.000 0.3 . 1 . . . . 78 S N . 17076 1 836 . 1 1 82 82 LEU H H 1 9.821 0.03 . 1 . . . . 79 L HN . 17076 1 837 . 1 1 82 82 LEU HA H 1 5.072 0.03 . 1 . . . . 79 L HA . 17076 1 838 . 1 1 82 82 LEU HB2 H 1 1.392 0.03 . 2 . . . . 79 L HB1 . 17076 1 839 . 1 1 82 82 LEU HB3 H 1 2.206 0.03 . 2 . . . . 79 L HB2 . 17076 1 840 . 1 1 82 82 LEU HD11 H 1 0.820 0.03 . 2 . . . . 79 L HD11 . 17076 1 841 . 1 1 82 82 LEU HD12 H 1 0.820 0.03 . 2 . . . . 79 L HD11 . 17076 1 842 . 1 1 82 82 LEU HD13 H 1 0.820 0.03 . 2 . . . . 79 L HD11 . 17076 1 843 . 1 1 82 82 LEU HD21 H 1 1.172 0.03 . 2 . . . . 79 L HD21 . 17076 1 844 . 1 1 82 82 LEU HD22 H 1 1.172 0.03 . 2 . . . . 79 L HD21 . 17076 1 845 . 1 1 82 82 LEU HD23 H 1 1.172 0.03 . 2 . . . . 79 L HD21 . 17076 1 846 . 1 1 82 82 LEU HG H 1 1.810 0.03 . 1 . . . . 79 L HG . 17076 1 847 . 1 1 82 82 LEU C C 13 176.539 0.3 . 1 . . . . 79 L C . 17076 1 848 . 1 1 82 82 LEU CA C 13 55.449 0.3 . 1 . . . . 79 L CA . 17076 1 849 . 1 1 82 82 LEU CB C 13 43.134 0.3 . 1 . . . . 79 L CB . 17076 1 850 . 1 1 82 82 LEU CD1 C 13 27.920 0.3 . 1 . . . . 79 L CD1 . 17076 1 851 . 1 1 82 82 LEU CD2 C 13 28.680 0.3 . 1 . . . . 79 L CD2 . 17076 1 852 . 1 1 82 82 LEU CG C 13 28.410 0.3 . 1 . . . . 79 L CG . 17076 1 853 . 1 1 82 82 LEU N N 15 129.000 0.3 . 1 . . . . 79 L N . 17076 1 854 . 1 1 83 83 CYS H H 1 8.180 0.03 . 1 . . . . 80 C HN . 17076 1 855 . 1 1 83 83 CYS HA H 1 4.020 0.03 . 1 . . . . 80 C HA . 17076 1 856 . 1 1 83 83 CYS HB2 H 1 2.928 0.03 . 2 . . . . 80 C HB1 . 17076 1 857 . 1 1 83 83 CYS HB3 H 1 2.592 0.03 . 2 . . . . 80 C HB2 . 17076 1 858 . 1 1 83 83 CYS C C 13 175.615 0.3 . 1 . . . . 80 C C . 17076 1 859 . 1 1 83 83 CYS CA C 13 62.940 0.3 . 1 . . . . 80 C CA . 17076 1 860 . 1 1 83 83 CYS CB C 13 29.005 0.3 . 1 . . . . 80 C CB . 17076 1 861 . 1 1 83 83 CYS N N 15 117.484 0.3 . 1 . . . . 80 C N . 17076 1 862 . 1 1 84 84 GLY H H 1 9.400 0.03 . 1 . . . . 81 G HN . 17076 1 863 . 1 1 84 84 GLY HA2 H 1 3.702 0.03 . 2 . . . . 81 G HA1 . 17076 1 864 . 1 1 84 84 GLY HA3 H 1 4.548 0.03 . 2 . . . . 81 G HA2 . 17076 1 865 . 1 1 84 84 GLY C C 13 173.635 0.3 . 1 . . . . 81 G C . 17076 1 866 . 1 1 84 84 GLY CA C 13 43.867 0.3 . 1 . . . . 81 G CA . 17076 1 867 . 1 1 84 84 GLY N N 15 108.560 0.3 . 1 . . . . 81 G N . 17076 1 868 . 1 1 85 85 CYS H H 1 8.382 0.03 . 1 . . . . 82 C HN . 17076 1 869 . 1 1 85 85 CYS HA H 1 4.225 0.03 . 1 . . . . 82 C HA . 17076 1 870 . 1 1 85 85 CYS HB2 H 1 2.845 0.03 . 2 . . . . 82 C HB1 . 17076 1 871 . 1 1 85 85 CYS HB3 H 1 2.884 0.03 . 2 . . . . 82 C HB2 . 17076 1 872 . 1 1 85 85 CYS C C 13 176.462 0.3 . 1 . . . . 82 C C . 17076 1 873 . 1 1 85 85 CYS CA C 13 60.320 0.3 . 1 . . . . 82 C CA . 17076 1 874 . 1 1 85 85 CYS CB C 13 27.480 0.3 . 1 . . . . 82 C CB . 17076 1 875 . 1 1 85 85 CYS N N 15 117.963 0.3 . 1 . . . . 82 C N . 17076 1 876 . 1 1 86 86 GLY H H 1 8.924 0.03 . 1 . . . . 83 G HN . 17076 1 877 . 1 1 86 86 GLY HA2 H 1 3.770 0.03 . 2 . . . . 83 G HA1 . 17076 1 878 . 1 1 86 86 GLY HA3 H 1 4.122 0.03 . 2 . . . . 83 G HA2 . 17076 1 879 . 1 1 86 86 GLY C C 13 173.576 0.3 . 1 . . . . 83 G C . 17076 1 880 . 1 1 86 86 GLY CA C 13 45.689 0.3 . 1 . . . . 83 G CA . 17076 1 881 . 1 1 86 86 GLY N N 15 114.080 0.3 . 1 . . . . 83 G N . 17076 1 882 . 1 1 87 87 VAL H H 1 7.269 0.03 . 1 . . . . 84 V HN . 17076 1 883 . 1 1 87 87 VAL HA H 1 4.149 0.03 . 1 . . . . 84 V HA . 17076 1 884 . 1 1 87 87 VAL HB H 1 1.832 0.03 . 1 . . . . 84 V HB . 17076 1 885 . 1 1 87 87 VAL HG11 H 1 0.770 0.03 . 2 . . . . 84 V HG11 . 17076 1 886 . 1 1 87 87 VAL HG12 H 1 0.770 0.03 . 2 . . . . 84 V HG11 . 17076 1 887 . 1 1 87 87 VAL HG13 H 1 0.770 0.03 . 2 . . . . 84 V HG11 . 17076 1 888 . 1 1 87 87 VAL HG21 H 1 0.782 0.03 . 2 . . . . 84 V HG21 . 17076 1 889 . 1 1 87 87 VAL HG22 H 1 0.782 0.03 . 2 . . . . 84 V HG21 . 17076 1 890 . 1 1 87 87 VAL HG23 H 1 0.782 0.03 . 2 . . . . 84 V HG21 . 17076 1 891 . 1 1 87 87 VAL C C 13 174.153 0.3 . 1 . . . . 84 V C . 17076 1 892 . 1 1 87 87 VAL CA C 13 61.797 0.3 . 1 . . . . 84 V CA . 17076 1 893 . 1 1 87 87 VAL CB C 13 33.266 0.3 . 1 . . . . 84 V CB . 17076 1 894 . 1 1 87 87 VAL CG1 C 13 20.908 0.3 . 1 . . . . 84 V CG1 . 17076 1 895 . 1 1 87 87 VAL CG2 C 13 21.963 0.3 . 1 . . . . 84 V CG2 . 17076 1 896 . 1 1 87 87 VAL N N 15 120.210 0.3 . 1 . . . . 84 V N . 17076 1 897 . 1 1 88 88 ASN H H 1 8.482 0.03 . 1 . . . . 85 N HN . 17076 1 898 . 1 1 88 88 ASN HA H 1 5.080 0.03 . 1 . . . . 85 N HA . 17076 1 899 . 1 1 88 88 ASN HB2 H 1 2.569 0.03 . 2 . . . . 85 N HB1 . 17076 1 900 . 1 1 88 88 ASN HB3 H 1 2.718 0.03 . 2 . . . . 85 N HB2 . 17076 1 901 . 1 1 88 88 ASN HD21 H 1 6.872 0.03 . 2 . . . . 85 N HD21 . 17076 1 902 . 1 1 88 88 ASN HD22 H 1 7.496 0.03 . 2 . . . . 85 N HD22 . 17076 1 903 . 1 1 88 88 ASN C C 13 174.422 0.3 . 1 . . . . 85 N C . 17076 1 904 . 1 1 88 88 ASN CA C 13 52.092 0.3 . 1 . . . . 85 N CA . 17076 1 905 . 1 1 88 88 ASN CB C 13 40.790 0.3 . 1 . . . . 85 N CB . 17076 1 906 . 1 1 88 88 ASN N N 15 125.000 0.3 . 1 . . . . 85 N N . 17076 1 907 . 1 1 88 88 ASN ND2 N 15 114.200 0.3 . 1 . . . . 85 N ND2 . 17076 1 908 . 1 1 89 89 LEU H H 1 8.810 0.03 . 1 . . . . 86 L HN . 17076 1 909 . 1 1 89 89 LEU HA H 1 4.374 0.03 . 1 . . . . 86 L HA . 17076 1 910 . 1 1 89 89 LEU HB2 H 1 1.266 0.03 . 2 . . . . 86 L HB1 . 17076 1 911 . 1 1 89 89 LEU HB3 H 1 1.415 0.03 . 2 . . . . 86 L HB2 . 17076 1 912 . 1 1 89 89 LEU HD11 H 1 0.642 0.03 . 2 . . . . 86 L HD11 . 17076 1 913 . 1 1 89 89 LEU HD12 H 1 0.642 0.03 . 2 . . . . 86 L HD11 . 17076 1 914 . 1 1 89 89 LEU HD13 H 1 0.642 0.03 . 2 . . . . 86 L HD11 . 17076 1 915 . 1 1 89 89 LEU HD21 H 1 0.786 0.03 . 2 . . . . 86 L HD21 . 17076 1 916 . 1 1 89 89 LEU HD22 H 1 0.786 0.03 . 2 . . . . 86 L HD21 . 17076 1 917 . 1 1 89 89 LEU HD23 H 1 0.786 0.03 . 2 . . . . 86 L HD21 . 17076 1 918 . 1 1 89 89 LEU HG H 1 1.696 0.03 . 1 . . . . 86 L HG . 17076 1 919 . 1 1 89 89 LEU C C 13 171.305 0.3 . 1 . . . . 86 L C . 17076 1 920 . 1 1 89 89 LEU CA C 13 53.210 0.3 . 1 . . . . 86 L CA . 17076 1 921 . 1 1 89 89 LEU CB C 13 40.140 0.3 . 1 . . . . 86 L CB . 17076 1 922 . 1 1 89 89 LEU CD1 C 13 24.250 0.3 . 1 . . . . 86 L CD1 . 17076 1 923 . 1 1 89 89 LEU CD2 C 13 26.160 0.3 . 1 . . . . 86 L CD2 . 17076 1 924 . 1 1 89 89 LEU CG C 13 27.790 0.3 . 1 . . . . 86 L CG . 17076 1 925 . 1 1 89 89 LEU N N 15 123.590 0.3 . 1 . . . . 86 L N . 17076 1 926 . 1 1 90 90 PRO HB2 H 1 2.056 0.03 . 2 . . . . 87 P HB1 . 17076 1 927 . 1 1 90 90 PRO HB3 H 1 2.790 0.03 . 2 . . . . 87 P HB2 . 17076 1 928 . 1 1 90 90 PRO HD2 H 1 3.294 0.03 . 2 . . . . 87 P HD1 . 17076 1 929 . 1 1 90 90 PRO HD3 H 1 3.695 0.03 . 2 . . . . 87 P HD2 . 17076 1 930 . 1 1 90 90 PRO HG2 H 1 2.204 0.03 . 2 . . . . 87 P HG1 . 17076 1 931 . 1 1 90 90 PRO HG3 H 1 2.264 0.03 . 2 . . . . 87 P HG2 . 17076 1 932 . 1 1 90 90 PRO CA C 13 61.800 0.3 . 1 . . . . 87 P CA . 17076 1 933 . 1 1 90 90 PRO CB C 13 31.290 0.3 . 1 . . . . 87 P CB . 17076 1 934 . 1 1 90 90 PRO CD C 13 50.290 0.3 . 1 . . . . 87 P CD . 17076 1 935 . 1 1 90 90 PRO CG C 13 28.200 0.3 . 1 . . . . 87 P CG . 17076 1 936 . 1 1 91 91 PRO HA H 1 4.146 0.03 . 1 . . . . 88 P HA . 17076 1 937 . 1 1 91 91 PRO HB2 H 1 1.932 0.03 . 2 . . . . 88 P HB1 . 17076 1 938 . 1 1 91 91 PRO HB3 H 1 2.310 0.03 . 2 . . . . 88 P HB2 . 17076 1 939 . 1 1 91 91 PRO HD2 H 1 3.815 0.03 . 2 . . . . 88 P HD2 . 17076 1 940 . 1 1 91 91 PRO HG2 H 1 2.049 0.03 . 2 . . . . 88 P HG1 . 17076 1 941 . 1 1 91 91 PRO HG3 H 1 2.110 0.03 . 2 . . . . 88 P HG2 . 17076 1 942 . 1 1 91 91 PRO C C 13 178.963 0.3 . 1 . . . . 88 P C . 17076 1 943 . 1 1 91 91 PRO CA C 13 65.169 0.3 . 1 . . . . 88 P CA . 17076 1 944 . 1 1 91 91 PRO CB C 13 32.112 0.3 . 1 . . . . 88 P CB . 17076 1 945 . 1 1 91 91 PRO CD C 13 50.677 0.3 . 1 . . . . 88 P CD . 17076 1 946 . 1 1 91 91 PRO CG C 13 27.675 0.3 . 1 . . . . 88 P CG . 17076 1 947 . 1 1 92 92 GLU H H 1 9.798 0.03 . 1 . . . . 89 E HN . 17076 1 948 . 1 1 92 92 GLU HA H 1 3.894 0.03 . 1 . . . . 89 E HA . 17076 1 949 . 1 1 92 92 GLU HB2 H 1 1.640 0.03 . 2 . . . . 89 E HB1 . 17076 1 950 . 1 1 92 92 GLU HB3 H 1 1.783 0.03 . 2 . . . . 89 E HB2 . 17076 1 951 . 1 1 92 92 GLU HG2 H 1 2.118 0.03 . 2 . . . . 89 E HG2 . 17076 1 952 . 1 1 92 92 GLU C C 13 177.539 0.3 . 1 . . . . 89 E C . 17076 1 953 . 1 1 92 92 GLU CA C 13 59.151 0.3 . 1 . . . . 89 E CA . 17076 1 954 . 1 1 92 92 GLU CB C 13 27.784 0.3 . 1 . . . . 89 E CB . 17076 1 955 . 1 1 92 92 GLU CG C 13 36.262 0.3 . 1 . . . . 89 E CG . 17076 1 956 . 1 1 92 92 GLU N N 15 118.340 0.3 . 1 . . . . 89 E N . 17076 1 957 . 1 1 93 93 TRP H H 1 7.910 0.03 . 1 . . . . 90 W HN . 17076 1 958 . 1 1 93 93 TRP HA H 1 4.096 0.03 . 1 . . . . 90 W HA . 17076 1 959 . 1 1 93 93 TRP HB2 H 1 3.049 0.03 . 2 . . . . 90 W HB1 . 17076 1 960 . 1 1 93 93 TRP HB3 H 1 3.308 0.03 . 2 . . . . 90 W HB2 . 17076 1 961 . 1 1 93 93 TRP HD1 H 1 6.996 0.03 . 1 . . . . 90 W HD1 . 17076 1 962 . 1 1 93 93 TRP HE1 H 1 10.276 0.03 . 1 . . . . 90 W HE1 . 17076 1 963 . 1 1 93 93 TRP HE3 H 1 7.558 0.03 . 1 . . . . 90 W HE3 . 17076 1 964 . 1 1 93 93 TRP HH2 H 1 6.580 0.03 . 1 . . . . 90 W HH2 . 17076 1 965 . 1 1 93 93 TRP HZ2 H 1 7.340 0.03 . 1 . . . . 90 W HZ2 . 17076 1 966 . 1 1 93 93 TRP HZ3 H 1 6.280 0.03 . 1 . . . . 90 W HZ3 . 17076 1 967 . 1 1 93 93 TRP C C 13 176.385 0.3 . 1 . . . . 90 W C . 17076 1 968 . 1 1 93 93 TRP CA C 13 59.724 0.3 . 1 . . . . 90 W CA . 17076 1 969 . 1 1 93 93 TRP CB C 13 29.942 0.3 . 1 . . . . 90 W CB . 17076 1 970 . 1 1 93 93 TRP CD1 C 13 125.800 0.3 . 1 . . . . 90 W CD1 . 17076 1 971 . 1 1 93 93 TRP CH2 C 13 124.100 0.3 . 1 . . . . 90 W CH2 . 17076 1 972 . 1 1 93 93 TRP CZ2 C 13 115.560 0.3 . 1 . . . . 90 W CZ2 . 17076 1 973 . 1 1 93 93 TRP CZ3 C 13 119.910 0.3 . 1 . . . . 90 W CZ3 . 17076 1 974 . 1 1 93 93 TRP N N 15 118.000 0.3 . 1 . . . . 90 W N . 17076 1 975 . 1 1 93 93 TRP NE1 N 15 130.617 0.3 . 1 . . . . 90 W NE1 . 17076 1 976 . 1 1 94 94 VAL H H 1 6.960 0.03 . 1 . . . . 91 V HN . 17076 1 977 . 1 1 94 94 VAL HA H 1 4.196 0.03 . 1 . . . . 91 V HA . 17076 1 978 . 1 1 94 94 VAL HB H 1 1.566 0.03 . 1 . . . . 91 V HB . 17076 1 979 . 1 1 94 94 VAL HG11 H 1 0.694 0.03 . 2 . . . . 91 V HG11 . 17076 1 980 . 1 1 94 94 VAL HG12 H 1 0.694 0.03 . 2 . . . . 91 V HG11 . 17076 1 981 . 1 1 94 94 VAL HG13 H 1 0.694 0.03 . 2 . . . . 91 V HG11 . 17076 1 982 . 1 1 94 94 VAL HG21 H 1 0.073 0.03 . 2 . . . . 91 V HG21 . 17076 1 983 . 1 1 94 94 VAL HG22 H 1 0.073 0.03 . 2 . . . . 91 V HG21 . 17076 1 984 . 1 1 94 94 VAL HG23 H 1 0.073 0.03 . 2 . . . . 91 V HG21 . 17076 1 985 . 1 1 94 94 VAL C C 13 177.000 0.3 . 1 . . . . 91 V C . 17076 1 986 . 1 1 94 94 VAL CA C 13 60.392 0.3 . 1 . . . . 91 V CA . 17076 1 987 . 1 1 94 94 VAL CB C 13 30.880 0.3 . 1 . . . . 91 V CB . 17076 1 988 . 1 1 94 94 VAL CG1 C 13 19.271 0.3 . 1 . . . . 91 V CG1 . 17076 1 989 . 1 1 94 94 VAL CG2 C 13 21.118 0.3 . 1 . . . . 91 V CG2 . 17076 1 990 . 1 1 94 94 VAL N N 15 109.241 0.3 . 1 . . . . 91 V N . 17076 1 991 . 1 1 95 95 THR H H 1 6.940 0.03 . 1 . . . . 92 T HN . 17076 1 992 . 1 1 95 95 THR HA H 1 4.508 0.03 . 1 . . . . 92 T HA . 17076 1 993 . 1 1 95 95 THR HB H 1 4.500 0.03 . 1 . . . . 92 T HB . 17076 1 994 . 1 1 95 95 THR HG21 H 1 1.124 0.03 . 1 . . . . 92 T HG21 . 17076 1 995 . 1 1 95 95 THR HG22 H 1 1.124 0.03 . 1 . . . . 92 T HG21 . 17076 1 996 . 1 1 95 95 THR HG23 H 1 1.124 0.03 . 1 . . . . 92 T HG21 . 17076 1 997 . 1 1 95 95 THR C C 13 175.577 0.3 . 1 . . . . 92 T C . 17076 1 998 . 1 1 95 95 THR CA C 13 60.847 0.3 . 1 . . . . 92 T CA . 17076 1 999 . 1 1 95 95 THR CB C 13 68.642 0.3 . 1 . . . . 92 T CB . 17076 1 1000 . 1 1 95 95 THR CG2 C 13 21.692 0.3 . 1 . . . . 92 T CG2 . 17076 1 1001 . 1 1 95 95 THR N N 15 110.376 0.3 . 1 . . . . 92 T N . 17076 1 1002 . 1 1 96 96 GLN H H 1 7.925 0.03 . 1 . . . . 93 Q HN . 17076 1 1003 . 1 1 96 96 GLN HA H 1 4.406 0.03 . 1 . . . . 93 Q HA . 17076 1 1004 . 1 1 96 96 GLN HB2 H 1 1.739 0.03 . 2 . . . . 93 Q HB1 . 17076 1 1005 . 1 1 96 96 GLN HB3 H 1 2.608 0.03 . 2 . . . . 93 Q HB2 . 17076 1 1006 . 1 1 96 96 GLN HE21 H 1 7.206 0.03 . 2 . . . . 93 Q HE21 . 17076 1 1007 . 1 1 96 96 GLN HE22 H 1 6.796 0.03 . 2 . . . . 93 Q HE22 . 17076 1 1008 . 1 1 96 96 GLN HG2 H 1 2.066 0.03 . 2 . . . . 93 Q HG1 . 17076 1 1009 . 1 1 96 96 GLN HG3 H 1 2.512 0.03 . 2 . . . . 93 Q HG2 . 17076 1 1010 . 1 1 96 96 GLN C C 13 175.192 0.3 . 1 . . . . 93 Q C . 17076 1 1011 . 1 1 96 96 GLN CA C 13 54.039 0.3 . 1 . . . . 93 Q CA . 17076 1 1012 . 1 1 96 96 GLN CB C 13 26.294 0.3 . 1 . . . . 93 Q CB . 17076 1 1013 . 1 1 96 96 GLN CG C 13 33.335 0.3 . 1 . . . . 93 Q CG . 17076 1 1014 . 1 1 96 96 GLN N N 15 120.640 0.3 . 1 . . . . 93 Q N . 17076 1 1015 . 1 1 96 96 GLN NE2 N 15 114.400 0.3 . 1 . . . . 93 Q NE2 . 17076 1 1016 . 1 1 97 97 GLU H H 1 8.292 0.03 . 1 . . . . 94 E HN . 17076 1 1017 . 1 1 97 97 GLU HA H 1 3.889 0.03 . 1 . . . . 94 E HA . 17076 1 1018 . 1 1 97 97 GLU HB2 H 1 2.232 0.03 . 2 . . . . 94 E HB1 . 17076 1 1019 . 1 1 97 97 GLU HB3 H 1 2.476 0.03 . 2 . . . . 94 E HB2 . 17076 1 1020 . 1 1 97 97 GLU HG2 H 1 2.222 0.03 . 2 . . . . 94 E HG1 . 17076 1 1021 . 1 1 97 97 GLU HG3 H 1 2.392 0.03 . 2 . . . . 94 E HG2 . 17076 1 1022 . 1 1 97 97 GLU C C 13 177.501 0.3 . 1 . . . . 94 E C . 17076 1 1023 . 1 1 97 97 GLU CA C 13 61.220 0.3 . 1 . . . . 94 E CA . 17076 1 1024 . 1 1 97 97 GLU CB C 13 29.311 0.3 . 1 . . . . 94 E CB . 17076 1 1025 . 1 1 97 97 GLU CG C 13 36.106 0.3 . 1 . . . . 94 E CG . 17076 1 1026 . 1 1 97 97 GLU N N 15 122.271 0.3 . 1 . . . . 94 E N . 17076 1 1027 . 1 1 98 98 ILE H H 1 7.841 0.03 . 1 . . . . 95 I HN . 17076 1 1028 . 1 1 98 98 ILE HA H 1 4.471 0.03 . 1 . . . . 95 I HA . 17076 1 1029 . 1 1 98 98 ILE HB H 1 1.766 0.03 . 1 . . . . 95 I HB . 17076 1 1030 . 1 1 98 98 ILE HD11 H 1 0.856 0.03 . 1 . . . . 95 I HD11 . 17076 1 1031 . 1 1 98 98 ILE HD12 H 1 0.856 0.03 . 1 . . . . 95 I HD11 . 17076 1 1032 . 1 1 98 98 ILE HD13 H 1 0.856 0.03 . 1 . . . . 95 I HD11 . 17076 1 1033 . 1 1 98 98 ILE HG12 H 1 1.242 0.03 . 1 . . . . 95 I HG11 . 17076 1 1034 . 1 1 98 98 ILE HG13 H 1 1.552 0.03 . 1 . . . . 95 I HG12 . 17076 1 1035 . 1 1 98 98 ILE HG21 H 1 0.834 0.03 . 1 . . . . 95 I HG21 . 17076 1 1036 . 1 1 98 98 ILE HG22 H 1 0.834 0.03 . 1 . . . . 95 I HG21 . 17076 1 1037 . 1 1 98 98 ILE HG23 H 1 0.834 0.03 . 1 . . . . 95 I HG21 . 17076 1 1038 . 1 1 98 98 ILE C C 13 175.346 0.3 . 1 . . . . 95 I C . 17076 1 1039 . 1 1 98 98 ILE CA C 13 60.422 0.3 . 1 . . . . 95 I CA . 17076 1 1040 . 1 1 98 98 ILE CB C 13 41.602 0.3 . 1 . . . . 95 I CB . 17076 1 1041 . 1 1 98 98 ILE CD1 C 13 13.060 0.3 . 1 . . . . 95 I CD1 . 17076 1 1042 . 1 1 98 98 ILE CG1 C 13 28.219 0.3 . 1 . . . . 95 I CG1 . 17076 1 1043 . 1 1 98 98 ILE CG2 C 13 17.780 0.3 . 1 . . . . 95 I CG2 . 17076 1 1044 . 1 1 98 98 ILE N N 15 114.600 0.3 . 1 . . . . 95 I N . 17076 1 1045 . 1 1 99 99 PHE H H 1 8.332 0.03 . 1 . . . . 96 F HN . 17076 1 1046 . 1 1 99 99 PHE HA H 1 5.904 0.03 . 1 . . . . 96 F HA . 17076 1 1047 . 1 1 99 99 PHE HB2 H 1 2.692 0.03 . 2 . . . . 96 F HB1 . 17076 1 1048 . 1 1 99 99 PHE HB3 H 1 3.518 0.03 . 2 . . . . 96 F HB2 . 17076 1 1049 . 1 1 99 99 PHE HD1 H 1 7.168 0.03 . 3 . . . . 96 F HD1 . 17076 1 1050 . 1 1 99 99 PHE HE1 H 1 5.910 0.03 . 3 . . . . 96 F HE1 . 17076 1 1051 . 1 1 99 99 PHE C C 13 175.384 0.3 . 1 . . . . 96 F C . 17076 1 1052 . 1 1 99 99 PHE CA C 13 56.760 0.3 . 1 . . . . 96 F CA . 17076 1 1053 . 1 1 99 99 PHE CB C 13 42.500 0.3 . 1 . . . . 96 F CB . 17076 1 1054 . 1 1 99 99 PHE CD1 C 13 131.500 0.3 . 3 . . . . 96 F CD1 . 17076 1 1055 . 1 1 99 99 PHE CE1 C 13 134.535 0.3 . 3 . . . . 96 F CE1 . 17076 1 1056 . 1 1 99 99 PHE N N 15 129.893 0.3 . 1 . . . . 96 F N . 17076 1 1057 . 1 1 100 100 GLU H H 1 7.456 0.03 . 1 . . . . 97 E HN . 17076 1 1058 . 1 1 100 100 GLU HA H 1 4.201 0.03 . 1 . . . . 97 E HA . 17076 1 1059 . 1 1 100 100 GLU HB2 H 1 1.966 0.03 . 2 . . . . 97 E HB1 . 17076 1 1060 . 1 1 100 100 GLU HB3 H 1 1.682 0.03 . 2 . . . . 97 E HB2 . 17076 1 1061 . 1 1 100 100 GLU HG2 H 1 1.950 0.03 . 2 . . . . 97 E HG1 . 17076 1 1062 . 1 1 100 100 GLU HG3 H 1 2.260 0.03 . 2 . . . . 97 E HG2 . 17076 1 1063 . 1 1 100 100 GLU C C 13 171.690 0.3 . 1 . . . . 97 E C . 17076 1 1064 . 1 1 100 100 GLU CA C 13 54.948 0.3 . 1 . . . . 97 E CA . 17076 1 1065 . 1 1 100 100 GLU CB C 13 34.559 0.3 . 1 . . . . 97 E CB . 17076 1 1066 . 1 1 100 100 GLU CG C 13 35.980 0.3 . 1 . . . . 97 E CG . 17076 1 1067 . 1 1 100 100 GLU N N 15 124.220 0.3 . 1 . . . . 97 E N . 17076 1 1068 . 1 1 101 101 ASP H H 1 8.342 0.03 . 1 . . . . 98 D HN . 17076 1 1069 . 1 1 101 101 ASP HA H 1 4.879 0.03 . 1 . . . . 98 D HA . 17076 1 1070 . 1 1 101 101 ASP HB2 H 1 2.458 0.03 . 2 . . . . 98 D HB1 . 17076 1 1071 . 1 1 101 101 ASP HB3 H 1 2.917 0.03 . 2 . . . . 98 D HB2 . 17076 1 1072 . 1 1 101 101 ASP C C 13 175.500 0.3 . 1 . . . . 98 D C . 17076 1 1073 . 1 1 101 101 ASP CA C 13 52.365 0.3 . 1 . . . . 98 D CA . 17076 1 1074 . 1 1 101 101 ASP CB C 13 42.683 0.3 . 1 . . . . 98 D CB . 17076 1 1075 . 1 1 101 101 ASP N N 15 121.870 0.3 . 1 . . . . 98 D N . 17076 1 1076 . 1 1 102 102 TRP H H 1 9.240 0.03 . 1 . . . . 99 W HN . 17076 1 1077 . 1 1 102 102 TRP HA H 1 5.049 0.03 . 1 . . . . 99 W HA . 17076 1 1078 . 1 1 102 102 TRP HB2 H 1 3.478 0.03 . 2 . . . . 99 W HB1 . 17076 1 1079 . 1 1 102 102 TRP HB3 H 1 2.680 0.03 . 2 . . . . 99 W HB2 . 17076 1 1080 . 1 1 102 102 TRP HD1 H 1 6.840 0.03 . 1 . . . . 99 W HD1 . 17076 1 1081 . 1 1 102 102 TRP HE1 H 1 11.666 0.03 . 1 . . . . 99 W HE1 . 17076 1 1082 . 1 1 102 102 TRP HE3 H 1 7.265 0.03 . 1 . . . . 99 W HE3 . 17076 1 1083 . 1 1 102 102 TRP HH2 H 1 6.910 0.03 . 1 . . . . 99 W HH2 . 17076 1 1084 . 1 1 102 102 TRP HZ2 H 1 7.330 0.03 . 1 . . . . 99 W HZ2 . 17076 1 1085 . 1 1 102 102 TRP HZ3 H 1 6.798 0.03 . 1 . . . . 99 W HZ3 . 17076 1 1086 . 1 1 102 102 TRP C C 13 175.423 0.3 . 1 . . . . 99 W C . 17076 1 1087 . 1 1 102 102 TRP CA C 13 53.923 0.3 . 1 . . . . 99 W CA . 17076 1 1088 . 1 1 102 102 TRP CB C 13 29.500 0.3 . 1 . . . . 99 W CB . 17076 1 1089 . 1 1 102 102 TRP CD1 C 13 124.420 0.3 . 1 . . . . 99 W CD1 . 17076 1 1090 . 1 1 102 102 TRP CH2 C 13 123.310 0.3 . 1 . . . . 99 W CH2 . 17076 1 1091 . 1 1 102 102 TRP CZ2 C 13 115.560 0.3 . 1 . . . . 99 W CZ2 . 17076 1 1092 . 1 1 102 102 TRP CZ3 C 13 127.940 0.3 . 1 . . . . 99 W CZ3 . 17076 1 1093 . 1 1 102 102 TRP N N 15 127.298 0.3 . 1 . . . . 99 W N . 17076 1 1094 . 1 1 102 102 TRP NE1 N 15 133.500 0.3 . 1 . . . . 99 W NE1 . 17076 1 1095 . 1 1 103 103 GLN H H 1 8.802 0.03 . 1 . . . . 100 Q HN . 17076 1 1096 . 1 1 103 103 GLN HA H 1 4.260 0.03 . 1 . . . . 100 Q HA . 17076 1 1097 . 1 1 103 103 GLN HB2 H 1 1.966 0.03 . 2 . . . . 100 Q HB1 . 17076 1 1098 . 1 1 103 103 GLN HB3 H 1 2.062 0.03 . 2 . . . . 100 Q HB2 . 17076 1 1099 . 1 1 103 103 GLN HE21 H 1 7.705 0.03 . 2 . . . . 100 Q HE21 . 17076 1 1100 . 1 1 103 103 GLN HE22 H 1 6.756 0.03 . 2 . . . . 100 Q HE22 . 17076 1 1101 . 1 1 103 103 GLN HG2 H 1 2.189 0.03 . 2 . . . . 100 Q HG1 . 17076 1 1102 . 1 1 103 103 GLN HG3 H 1 2.332 0.03 . 2 . . . . 100 Q HG2 . 17076 1 1103 . 1 1 103 103 GLN C C 13 173.730 0.3 . 1 . . . . 100 Q C . 17076 1 1104 . 1 1 103 103 GLN CA C 13 56.322 0.3 . 1 . . . . 100 Q CA . 17076 1 1105 . 1 1 103 103 GLN CB C 13 27.155 0.3 . 1 . . . . 100 Q CB . 17076 1 1106 . 1 1 103 103 GLN CG C 13 33.222 0.3 . 1 . . . . 100 Q CG . 17076 1 1107 . 1 1 103 103 GLN N N 15 127.280 0.3 . 1 . . . . 100 Q N . 17076 1 1108 . 1 1 103 103 GLN NE2 N 15 112.869 0.3 . 1 . . . . 100 Q NE2 . 17076 1 1109 . 1 1 104 104 LEU H H 1 8.228 0.03 . 1 . . . . 101 L HN . 17076 1 1110 . 1 1 104 104 LEU HA H 1 4.668 0.03 . 1 . . . . 101 L HA . 17076 1 1111 . 1 1 104 104 LEU HB2 H 1 1.650 0.03 . 2 . . . . 101 L HB1 . 17076 1 1112 . 1 1 104 104 LEU HB3 H 1 1.582 0.03 . 2 . . . . 101 L HB2 . 17076 1 1113 . 1 1 104 104 LEU HD11 H 1 0.816 0.03 . 2 . . . . 101 L HD11 . 17076 1 1114 . 1 1 104 104 LEU HD12 H 1 0.816 0.03 . 2 . . . . 101 L HD11 . 17076 1 1115 . 1 1 104 104 LEU HD13 H 1 0.816 0.03 . 2 . . . . 101 L HD11 . 17076 1 1116 . 1 1 104 104 LEU HG H 1 0.898 0.03 . 1 . . . . 101 L HG . 17076 1 1117 . 1 1 104 104 LEU C C 13 176.539 0.3 . 1 . . . . 101 L C . 17076 1 1118 . 1 1 104 104 LEU CA C 13 52.816 0.3 . 1 . . . . 101 L CA . 17076 1 1119 . 1 1 104 104 LEU CB C 13 45.310 0.3 . 1 . . . . 101 L CB . 17076 1 1120 . 1 1 104 104 LEU CD1 C 13 23.351 0.3 . 1 . . . . 101 L CD1 . 17076 1 1121 . 1 1 104 104 LEU CG C 13 27.517 0.3 . 1 . . . . 101 L CG . 17076 1 1122 . 1 1 104 104 LEU N N 15 126.474 0.3 . 1 . . . . 101 L N . 17076 1 1123 . 1 1 105 105 GLU H H 1 8.860 0.03 . 1 . . . . 102 E HN . 17076 1 1124 . 1 1 105 105 GLU HA H 1 3.940 0.03 . 1 . . . . 102 E HA . 17076 1 1125 . 1 1 105 105 GLU HB2 H 1 1.635 0.03 . 2 . . . . 102 E HB1 . 17076 1 1126 . 1 1 105 105 GLU HB3 H 1 1.735 0.03 . 2 . . . . 102 E HB2 . 17076 1 1127 . 1 1 105 105 GLU HG2 H 1 2.098 0.03 . 2 . . . . 102 E HG2 . 17076 1 1128 . 1 1 105 105 GLU C C 13 174.422 0.3 . 1 . . . . 102 E C . 17076 1 1129 . 1 1 105 105 GLU CA C 13 56.854 0.3 . 1 . . . . 102 E CA . 17076 1 1130 . 1 1 105 105 GLU CB C 13 30.033 0.3 . 1 . . . . 102 E CB . 17076 1 1131 . 1 1 105 105 GLU CG C 13 36.320 0.3 . 1 . . . . 102 E CG . 17076 1 1132 . 1 1 105 105 GLU N N 15 123.553 0.3 . 1 . . . . 102 E N . 17076 1 1133 . 1 1 106 106 ASP H H 1 8.360 0.03 . 1 . . . . 103 D HN . 17076 1 1134 . 1 1 106 106 ASP HA H 1 4.499 0.03 . 1 . . . . 103 D HA . 17076 1 1135 . 1 1 106 106 ASP HB2 H 1 2.611 0.03 . 2 . . . . 103 D HB1 . 17076 1 1136 . 1 1 106 106 ASP HB3 H 1 3.008 0.03 . 2 . . . . 103 D HB2 . 17076 1 1137 . 1 1 106 106 ASP C C 13 176.270 0.3 . 1 . . . . 103 D C . 17076 1 1138 . 1 1 106 106 ASP CA C 13 50.261 0.3 . 1 . . . . 103 D CA . 17076 1 1139 . 1 1 106 106 ASP CB C 13 41.454 0.3 . 1 . . . . 103 D CB . 17076 1 1140 . 1 1 106 106 ASP N N 15 120.994 0.3 . 1 . . . . 103 D N . 17076 1 1141 . 1 1 107 107 PRO HA H 1 3.829 0.03 . 1 . . . . 104 P HA . 17076 1 1142 . 1 1 107 107 PRO HB2 H 1 0.192 0.03 . 2 . . . . 104 P HB1 . 17076 1 1143 . 1 1 107 107 PRO HB3 H 1 0.986 0.03 . 2 . . . . 104 P HB2 . 17076 1 1144 . 1 1 107 107 PRO HD2 H 1 3.916 0.03 . 2 . . . . 104 P HD1 . 17076 1 1145 . 1 1 107 107 PRO HD3 H 1 4.108 0.03 . 2 . . . . 104 P HD2 . 17076 1 1146 . 1 1 107 107 PRO HG2 H 1 1.116 0.03 . 2 . . . . 104 P HG1 . 17076 1 1147 . 1 1 107 107 PRO HG3 H 1 1.216 0.03 . 2 . . . . 104 P HG2 . 17076 1 1148 . 1 1 107 107 PRO C C 13 173.961 0.3 . 1 . . . . 104 P C . 17076 1 1149 . 1 1 107 107 PRO CA C 13 62.710 0.3 . 1 . . . . 104 P CA . 17076 1 1150 . 1 1 107 107 PRO CB C 13 30.849 0.3 . 1 . . . . 104 P CB . 17076 1 1151 . 1 1 107 107 PRO CD C 13 49.201 0.3 . 1 . . . . 104 P CD . 17076 1 1152 . 1 1 107 107 PRO CG C 13 27.021 0.3 . 1 . . . . 104 P CG . 17076 1 1153 . 1 1 108 108 ASP H H 1 7.541 0.03 . 1 . . . . 105 D HN . 17076 1 1154 . 1 1 108 108 ASP HA H 1 4.232 0.03 . 1 . . . . 105 D HA . 17076 1 1155 . 1 1 108 108 ASP HB2 H 1 2.693 0.03 . 2 . . . . 105 D HB1 . 17076 1 1156 . 1 1 108 108 ASP HB3 H 1 2.774 0.03 . 2 . . . . 105 D HB2 . 17076 1 1157 . 1 1 108 108 ASP C C 13 177.924 0.3 . 1 . . . . 105 D C . 17076 1 1158 . 1 1 108 108 ASP CA C 13 56.696 0.3 . 1 . . . . 105 D CA . 17076 1 1159 . 1 1 108 108 ASP CB C 13 41.505 0.3 . 1 . . . . 105 D CB . 17076 1 1160 . 1 1 108 108 ASP N N 15 119.820 0.3 . 1 . . . . 105 D N . 17076 1 1161 . 1 1 109 109 GLY H H 1 9.050 0.03 . 1 . . . . 106 G HN . 17076 1 1162 . 1 1 109 109 GLY HA2 H 1 3.860 0.03 . 2 . . . . 106 G HA1 . 17076 1 1163 . 1 1 109 109 GLY HA3 H 1 4.250 0.03 . 2 . . . . 106 G HA2 . 17076 1 1164 . 1 1 109 109 GLY C C 13 174.884 0.3 . 1 . . . . 106 G C . 17076 1 1165 . 1 1 109 109 GLY CA C 13 45.804 0.3 . 1 . . . . 106 G CA . 17076 1 1166 . 1 1 109 109 GLY N N 15 116.045 0.3 . 1 . . . . 106 G N . 17076 1 1167 . 1 1 110 110 GLN H H 1 8.424 0.03 . 1 . . . . 107 Q HN . 17076 1 1168 . 1 1 110 110 GLN HA H 1 4.728 0.03 . 1 . . . . 107 Q HA . 17076 1 1169 . 1 1 110 110 GLN HB2 H 1 2.044 0.03 . 2 . . . . 107 Q HB1 . 17076 1 1170 . 1 1 110 110 GLN HB3 H 1 2.362 0.03 . 2 . . . . 107 Q HB2 . 17076 1 1171 . 1 1 110 110 GLN HE21 H 1 7.472 0.03 . 2 . . . . 107 Q HE21 . 17076 1 1172 . 1 1 110 110 GLN HE22 H 1 7.140 0.03 . 2 . . . . 107 Q HE22 . 17076 1 1173 . 1 1 110 110 GLN HG2 H 1 2.050 0.03 . 2 . . . . 107 Q HG1 . 17076 1 1174 . 1 1 110 110 GLN HG3 H 1 2.284 0.03 . 2 . . . . 107 Q HG2 . 17076 1 1175 . 1 1 110 110 GLN C C 13 174.884 0.3 . 1 . . . . 107 Q C . 17076 1 1176 . 1 1 110 110 GLN CA C 13 54.448 0.3 . 1 . . . . 107 Q CA . 17076 1 1177 . 1 1 110 110 GLN CB C 13 29.720 0.3 . 1 . . . . 107 Q CB . 17076 1 1178 . 1 1 110 110 GLN CG C 13 34.336 0.3 . 1 . . . . 107 Q CG . 17076 1 1179 . 1 1 110 110 GLN N N 15 119.390 0.3 . 1 . . . . 107 Q N . 17076 1 1180 . 1 1 110 110 GLN NE2 N 15 115.305 0.3 . 1 . . . . 107 Q NE2 . 17076 1 1181 . 1 1 111 111 SER H H 1 8.253 0.03 . 1 . . . . 108 S HN . 17076 1 1182 . 1 1 111 111 SER HA H 1 4.512 0.03 . 1 . . . . 108 S HA . 17076 1 1183 . 1 1 111 111 SER HB2 H 1 4.122 0.03 . 2 . . . . 108 S HB1 . 17076 1 1184 . 1 1 111 111 SER HB3 H 1 4.461 0.03 . 2 . . . . 108 S HB2 . 17076 1 1185 . 1 1 111 111 SER C C 13 175.346 0.3 . 1 . . . . 108 S C . 17076 1 1186 . 1 1 111 111 SER CA C 13 57.810 0.3 . 1 . . . . 108 S CA . 17076 1 1187 . 1 1 111 111 SER CB C 13 65.155 0.3 . 1 . . . . 108 S CB . 17076 1 1188 . 1 1 111 111 SER N N 15 114.803 0.3 . 1 . . . . 108 S N . 17076 1 1189 . 1 1 112 112 LEU H H 1 8.778 0.03 . 1 . . . . 109 L HN . 17076 1 1190 . 1 1 112 112 LEU HA H 1 4.225 0.03 . 1 . . . . 109 L HA . 17076 1 1191 . 1 1 112 112 LEU HB2 H 1 1.462 0.03 . 2 . . . . 109 L HB1 . 17076 1 1192 . 1 1 112 112 LEU HB3 H 1 1.844 0.03 . 2 . . . . 109 L HB2 . 17076 1 1193 . 1 1 112 112 LEU HD11 H 1 0.928 0.03 . 2 . . . . 109 L HD11 . 17076 1 1194 . 1 1 112 112 LEU HD12 H 1 0.928 0.03 . 2 . . . . 109 L HD11 . 17076 1 1195 . 1 1 112 112 LEU HD13 H 1 0.928 0.03 . 2 . . . . 109 L HD11 . 17076 1 1196 . 1 1 112 112 LEU HD21 H 1 0.772 0.03 . 2 . . . . 109 L HD21 . 17076 1 1197 . 1 1 112 112 LEU HD22 H 1 0.772 0.03 . 2 . . . . 109 L HD21 . 17076 1 1198 . 1 1 112 112 LEU HD23 H 1 0.772 0.03 . 2 . . . . 109 L HD21 . 17076 1 1199 . 1 1 112 112 LEU HG H 1 1.845 0.03 . 1 . . . . 109 L HG . 17076 1 1200 . 1 1 112 112 LEU C C 13 179.040 0.3 . 1 . . . . 109 L C . 17076 1 1201 . 1 1 112 112 LEU CA C 13 58.348 0.3 . 1 . . . . 109 L CA . 17076 1 1202 . 1 1 112 112 LEU CB C 13 41.211 0.3 . 1 . . . . 109 L CB . 17076 1 1203 . 1 1 112 112 LEU CD1 C 13 25.609 0.3 . 1 . . . . 109 L CD1 . 17076 1 1204 . 1 1 112 112 LEU CD2 C 13 22.620 0.3 . 1 . . . . 109 L CD2 . 17076 1 1205 . 1 1 112 112 LEU CG C 13 26.800 0.3 . 1 . . . . 109 L CG . 17076 1 1206 . 1 1 112 112 LEU N N 15 120.928 0.3 . 1 . . . . 109 L N . 17076 1 1207 . 1 1 113 113 GLU H H 1 8.358 0.03 . 1 . . . . 110 E HN . 17076 1 1208 . 1 1 113 113 GLU HA H 1 4.104 0.03 . 1 . . . . 110 E HA . 17076 1 1209 . 1 1 113 113 GLU HB2 H 1 2.072 0.03 . 2 . . . . 110 E HB1 . 17076 1 1210 . 1 1 113 113 GLU HB3 H 1 2.016 0.03 . 2 . . . . 110 E HB2 . 17076 1 1211 . 1 1 113 113 GLU HG2 H 1 2.368 0.03 . 2 . . . . 110 E HG2 . 17076 1 1212 . 1 1 113 113 GLU C C 13 179.656 0.3 . 1 . . . . 110 E C . 17076 1 1213 . 1 1 113 113 GLU CA C 13 60.228 0.3 . 1 . . . . 110 E CA . 17076 1 1214 . 1 1 113 113 GLU CB C 13 29.194 0.3 . 1 . . . . 110 E CB . 17076 1 1215 . 1 1 113 113 GLU CG C 13 36.775 0.3 . 1 . . . . 110 E CG . 17076 1 1216 . 1 1 113 113 GLU N N 15 117.939 0.3 . 1 . . . . 110 E N . 17076 1 1217 . 1 1 114 114 VAL H H 1 7.690 0.03 . 1 . . . . 111 V HN . 17076 1 1218 . 1 1 114 114 VAL HA H 1 3.722 0.03 . 1 . . . . 111 V HA . 17076 1 1219 . 1 1 114 114 VAL HB H 1 2.228 0.03 . 1 . . . . 111 V HB . 17076 1 1220 . 1 1 114 114 VAL HG11 H 1 0.675 0.03 . 2 . . . . 111 V HG11 . 17076 1 1221 . 1 1 114 114 VAL HG12 H 1 0.675 0.03 . 2 . . . . 111 V HG11 . 17076 1 1222 . 1 1 114 114 VAL HG13 H 1 0.675 0.03 . 2 . . . . 111 V HG11 . 17076 1 1223 . 1 1 114 114 VAL HG21 H 1 1.058 0.03 . 2 . . . . 111 V HG21 . 17076 1 1224 . 1 1 114 114 VAL HG22 H 1 1.058 0.03 . 2 . . . . 111 V HG21 . 17076 1 1225 . 1 1 114 114 VAL HG23 H 1 1.058 0.03 . 2 . . . . 111 V HG21 . 17076 1 1226 . 1 1 114 114 VAL C C 13 178.732 0.3 . 1 . . . . 111 V C . 17076 1 1227 . 1 1 114 114 VAL CA C 13 66.498 0.3 . 1 . . . . 111 V CA . 17076 1 1228 . 1 1 114 114 VAL CB C 13 31.003 0.3 . 1 . . . . 111 V CB . 17076 1 1229 . 1 1 114 114 VAL CG1 C 13 20.637 0.3 . 1 . . . . 111 V CG1 . 17076 1 1230 . 1 1 114 114 VAL CG2 C 13 22.719 0.3 . 1 . . . . 111 V CG2 . 17076 1 1231 . 1 1 114 114 VAL N N 15 122.843 0.3 . 1 . . . . 111 V N . 17076 1 1232 . 1 1 115 115 PHE H H 1 8.048 0.03 . 1 . . . . 112 F HN . 17076 1 1233 . 1 1 115 115 PHE HA H 1 3.661 0.03 . 1 . . . . 112 F HA . 17076 1 1234 . 1 1 115 115 PHE HB2 H 1 2.863 0.03 . 2 . . . . 112 F HB1 . 17076 1 1235 . 1 1 115 115 PHE HB3 H 1 3.403 0.03 . 2 . . . . 112 F HB2 . 17076 1 1236 . 1 1 115 115 PHE HD1 H 1 6.992 0.03 . 3 . . . . 112 F HD1 . 17076 1 1237 . 1 1 115 115 PHE C C 13 179.079 0.3 . 1 . . . . 112 F C . 17076 1 1238 . 1 1 115 115 PHE CA C 13 63.670 0.3 . 1 . . . . 112 F CA . 17076 1 1239 . 1 1 115 115 PHE CB C 13 40.093 0.3 . 1 . . . . 112 F CB . 17076 1 1240 . 1 1 115 115 PHE CD1 C 13 131.221 0.3 . 3 . . . . 112 F CD1 . 17076 1 1241 . 1 1 115 115 PHE N N 15 120.282 0.3 . 1 . . . . 112 F N . 17076 1 1242 . 1 1 116 116 ARG H H 1 8.680 0.03 . 1 . . . . 113 R HN . 17076 1 1243 . 1 1 116 116 ARG HA H 1 3.804 0.03 . 1 . . . . 113 R HA . 17076 1 1244 . 1 1 116 116 ARG HB2 H 1 1.834 0.03 . 2 . . . . 113 R HB1 . 17076 1 1245 . 1 1 116 116 ARG HB3 H 1 1.916 0.03 . 2 . . . . 113 R HB2 . 17076 1 1246 . 1 1 116 116 ARG HD2 H 1 3.118 0.03 . 2 . . . . 113 R HD1 . 17076 1 1247 . 1 1 116 116 ARG HD3 H 1 3.161 0.03 . 2 . . . . 113 R HD2 . 17076 1 1248 . 1 1 116 116 ARG HG2 H 1 1.011 0.03 . 2 . . . . 113 R HG1 . 17076 1 1249 . 1 1 116 116 ARG HG3 H 1 1.475 0.03 . 2 . . . . 113 R HG2 . 17076 1 1250 . 1 1 116 116 ARG C C 13 179.579 0.3 . 1 . . . . 113 R C . 17076 1 1251 . 1 1 116 116 ARG CA C 13 61.212 0.3 . 1 . . . . 113 R CA . 17076 1 1252 . 1 1 116 116 ARG CB C 13 29.800 0.3 . 1 . . . . 113 R CB . 17076 1 1253 . 1 1 116 116 ARG N N 15 118.239 0.3 . 1 . . . . 113 R N . 17076 1 1254 . 1 1 117 117 THR H H 1 8.381 0.03 . 1 . . . . 114 T HN . 17076 1 1255 . 1 1 117 117 THR HA H 1 3.944 0.03 . 1 . . . . 114 T HA . 17076 1 1256 . 1 1 117 117 THR HB H 1 4.385 0.03 . 1 . . . . 114 T HB . 17076 1 1257 . 1 1 117 117 THR HG21 H 1 1.192 0.03 . 1 . . . . 114 T HG21 . 17076 1 1258 . 1 1 117 117 THR HG22 H 1 1.192 0.03 . 1 . . . . 114 T HG21 . 17076 1 1259 . 1 1 117 117 THR HG23 H 1 1.192 0.03 . 1 . . . . 114 T HG21 . 17076 1 1260 . 1 1 117 117 THR C C 13 177.386 0.3 . 1 . . . . 114 T C . 17076 1 1261 . 1 1 117 117 THR CA C 13 67.036 0.3 . 1 . . . . 114 T CA . 17076 1 1262 . 1 1 117 117 THR CB C 13 68.550 0.3 . 1 . . . . 114 T CB . 17076 1 1263 . 1 1 117 117 THR CG2 C 13 21.425 0.3 . 1 . . . . 114 T CG2 . 17076 1 1264 . 1 1 117 117 THR N N 15 121.660 0.3 . 1 . . . . 114 T N . 17076 1 1265 . 1 1 118 118 VAL H H 1 8.566 0.03 . 1 . . . . 115 V HN . 17076 1 1266 . 1 1 118 118 VAL HA H 1 3.876 0.03 . 1 . . . . 115 V HA . 17076 1 1267 . 1 1 118 118 VAL HB H 1 1.905 0.03 . 1 . . . . 115 V HB . 17076 1 1268 . 1 1 118 118 VAL HG11 H 1 0.910 0.03 . 2 . . . . 115 V HG11 . 17076 1 1269 . 1 1 118 118 VAL HG12 H 1 0.910 0.03 . 2 . . . . 115 V HG11 . 17076 1 1270 . 1 1 118 118 VAL HG13 H 1 0.910 0.03 . 2 . . . . 115 V HG11 . 17076 1 1271 . 1 1 118 118 VAL HG21 H 1 0.945 0.03 . 2 . . . . 115 V HG21 . 17076 1 1272 . 1 1 118 118 VAL HG22 H 1 0.945 0.03 . 2 . . . . 115 V HG21 . 17076 1 1273 . 1 1 118 118 VAL HG23 H 1 0.945 0.03 . 2 . . . . 115 V HG21 . 17076 1 1274 . 1 1 118 118 VAL C C 13 177.501 0.3 . 1 . . . . 115 V C . 17076 1 1275 . 1 1 118 118 VAL CA C 13 66.585 0.3 . 1 . . . . 115 V CA . 17076 1 1276 . 1 1 118 118 VAL CB C 13 31.778 0.3 . 1 . . . . 115 V CB . 17076 1 1277 . 1 1 118 118 VAL CG1 C 13 21.200 0.3 . 1 . . . . 115 V CG1 . 17076 1 1278 . 1 1 118 118 VAL CG2 C 13 23.644 0.3 . 1 . . . . 115 V CG2 . 17076 1 1279 . 1 1 118 118 VAL N N 15 124.407 0.3 . 1 . . . . 115 V N . 17076 1 1280 . 1 1 119 119 ARG H H 1 8.718 0.03 . 1 . . . . 116 R HN . 17076 1 1281 . 1 1 119 119 ARG HA H 1 4.052 0.03 . 1 . . . . 116 R HA . 17076 1 1282 . 1 1 119 119 ARG HB2 H 1 1.852 0.03 . 2 . . . . 116 R HB1 . 17076 1 1283 . 1 1 119 119 ARG HB3 H 1 2.494 0.03 . 2 . . . . 116 R HB2 . 17076 1 1284 . 1 1 119 119 ARG HD2 H 1 2.764 0.03 . 2 . . . . 116 R HD1 . 17076 1 1285 . 1 1 119 119 ARG HD3 H 1 3.494 0.03 . 2 . . . . 116 R HD2 . 17076 1 1286 . 1 1 119 119 ARG HG2 H 1 1.885 0.03 . 2 . . . . 116 R HG1 . 17076 1 1287 . 1 1 119 119 ARG HG3 H 1 2.161 0.03 . 2 . . . . 116 R HG2 . 17076 1 1288 . 1 1 119 119 ARG C C 13 177.847 0.3 . 1 . . . . 116 R C . 17076 1 1289 . 1 1 119 119 ARG CA C 13 60.654 0.3 . 1 . . . . 116 R CA . 17076 1 1290 . 1 1 119 119 ARG CB C 13 31.131 0.3 . 1 . . . . 116 R CB . 17076 1 1291 . 1 1 119 119 ARG CD C 13 44.400 0.3 . 1 . . . . 116 R CD . 17076 1 1292 . 1 1 119 119 ARG CG C 13 26.800 0.3 . 1 . . . . 116 R CG . 17076 1 1293 . 1 1 119 119 ARG N N 15 121.605 0.3 . 1 . . . . 116 R N . 17076 1 1294 . 1 1 120 120 GLY H H 1 7.932 0.03 . 1 . . . . 117 G HN . 17076 1 1295 . 1 1 120 120 GLY HA2 H 1 3.845 0.03 . 2 . . . . 117 G HA1 . 17076 1 1296 . 1 1 120 120 GLY HA3 H 1 4.010 0.03 . 2 . . . . 117 G HA2 . 17076 1 1297 . 1 1 120 120 GLY C C 13 176.847 0.3 . 1 . . . . 117 G C . 17076 1 1298 . 1 1 120 120 GLY CA C 13 47.399 0.3 . 1 . . . . 117 G CA . 17076 1 1299 . 1 1 120 120 GLY N N 15 104.940 0.3 . 1 . . . . 117 G N . 17076 1 1300 . 1 1 121 121 GLN H H 1 7.906 0.03 . 1 . . . . 118 Q HN . 17076 1 1301 . 1 1 121 121 GLN HA H 1 4.092 0.03 . 1 . . . . 118 Q HA . 17076 1 1302 . 1 1 121 121 GLN HB2 H 1 1.900 0.03 . 2 . . . . 118 Q HB1 . 17076 1 1303 . 1 1 121 121 GLN HB3 H 1 2.478 0.03 . 2 . . . . 118 Q HB2 . 17076 1 1304 . 1 1 121 121 GLN HE21 H 1 7.220 0.03 . 2 . . . . 118 Q HE21 . 17076 1 1305 . 1 1 121 121 GLN HE22 H 1 6.432 0.03 . 2 . . . . 118 Q HE22 . 17076 1 1306 . 1 1 121 121 GLN HG2 H 1 2.355 0.03 . 2 . . . . 118 Q HG1 . 17076 1 1307 . 1 1 121 121 GLN HG3 H 1 2.562 0.03 . 2 . . . . 118 Q HG2 . 17076 1 1308 . 1 1 121 121 GLN C C 13 179.579 0.3 . 1 . . . . 118 Q C . 17076 1 1309 . 1 1 121 121 GLN CA C 13 58.760 0.3 . 1 . . . . 118 Q CA . 17076 1 1310 . 1 1 121 121 GLN CB C 13 28.856 0.3 . 1 . . . . 118 Q CB . 17076 1 1311 . 1 1 121 121 GLN CG C 13 34.103 0.3 . 1 . . . . 118 Q CG . 17076 1 1312 . 1 1 121 121 GLN N N 15 123.527 0.3 . 1 . . . . 118 Q N . 17076 1 1313 . 1 1 121 121 GLN NE2 N 15 108.990 0.3 . 1 . . . . 118 Q NE2 . 17076 1 1314 . 1 1 122 122 VAL H H 1 8.836 0.03 . 1 . . . . 119 V HN . 17076 1 1315 . 1 1 122 122 VAL HA H 1 3.341 0.03 . 1 . . . . 119 V HA . 17076 1 1316 . 1 1 122 122 VAL HB H 1 2.435 0.03 . 1 . . . . 119 V HB . 17076 1 1317 . 1 1 122 122 VAL HG11 H 1 1.020 0.03 . 2 . . . . 119 V HG11 . 17076 1 1318 . 1 1 122 122 VAL HG12 H 1 1.020 0.03 . 2 . . . . 119 V HG11 . 17076 1 1319 . 1 1 122 122 VAL HG13 H 1 1.020 0.03 . 2 . . . . 119 V HG11 . 17076 1 1320 . 1 1 122 122 VAL HG21 H 1 1.108 0.03 . 2 . . . . 119 V HG21 . 17076 1 1321 . 1 1 122 122 VAL HG22 H 1 1.108 0.03 . 2 . . . . 119 V HG21 . 17076 1 1322 . 1 1 122 122 VAL HG23 H 1 1.108 0.03 . 2 . . . . 119 V HG21 . 17076 1 1323 . 1 1 122 122 VAL C C 13 176.808 0.3 . 1 . . . . 119 V C . 17076 1 1324 . 1 1 122 122 VAL CA C 13 67.315 0.3 . 1 . . . . 119 V CA . 17076 1 1325 . 1 1 122 122 VAL CB C 13 31.293 0.3 . 1 . . . . 119 V CB . 17076 1 1326 . 1 1 122 122 VAL CG1 C 13 22.763 0.3 . 1 . . . . 119 V CG1 . 17076 1 1327 . 1 1 122 122 VAL CG2 C 13 24.351 0.3 . 1 . . . . 119 V CG2 . 17076 1 1328 . 1 1 122 122 VAL N N 15 120.932 0.3 . 1 . . . . 119 V N . 17076 1 1329 . 1 1 123 123 LYS H H 1 8.072 0.03 . 1 . . . . 120 K HN . 17076 1 1330 . 1 1 123 123 LYS HA H 1 2.596 0.03 . 1 . . . . 120 K HA . 17076 1 1331 . 1 1 123 123 LYS HB2 H 1 0.656 0.03 . 2 . . . . 120 K HB1 . 17076 1 1332 . 1 1 123 123 LYS HB3 H 1 1.456 0.03 . 2 . . . . 120 K HB2 . 17076 1 1333 . 1 1 123 123 LYS HD2 H 1 1.394 0.03 . 2 . . . . 120 K HD1 . 17076 1 1334 . 1 1 123 123 LYS HD3 H 1 1.436 0.03 . 2 . . . . 120 K HD2 . 17076 1 1335 . 1 1 123 123 LYS HE2 H 1 2.789 0.03 . 2 . . . . 120 K HE1 . 17076 1 1336 . 1 1 123 123 LYS HE3 H 1 2.900 0.03 . 2 . . . . 120 K HE2 . 17076 1 1337 . 1 1 123 123 LYS HG2 H 1 0.308 0.03 . 2 . . . . 120 K HG1 . 17076 1 1338 . 1 1 123 123 LYS HG3 H 1 0.852 0.03 . 2 . . . . 120 K HG2 . 17076 1 1339 . 1 1 123 123 LYS C C 13 177.386 0.3 . 1 . . . . 120 K C . 17076 1 1340 . 1 1 123 123 LYS CA C 13 61.228 0.3 . 1 . . . . 120 K CA . 17076 1 1341 . 1 1 123 123 LYS CB C 13 31.741 0.3 . 1 . . . . 120 K CB . 17076 1 1342 . 1 1 123 123 LYS CD C 13 29.711 0.3 . 1 . . . . 120 K CD . 17076 1 1343 . 1 1 123 123 LYS CE C 13 42.211 0.3 . 1 . . . . 120 K CE . 17076 1 1344 . 1 1 123 123 LYS CG C 13 25.178 0.3 . 1 . . . . 120 K CG . 17076 1 1345 . 1 1 123 123 LYS N N 15 121.030 0.3 . 1 . . . . 120 K N . 17076 1 1346 . 1 1 124 124 GLU H H 1 7.453 0.03 . 1 . . . . 121 E HN . 17076 1 1347 . 1 1 124 124 GLU HA H 1 3.980 0.03 . 1 . . . . 121 E HA . 17076 1 1348 . 1 1 124 124 GLU HB2 H 1 1.898 0.03 . 2 . . . . 121 E HB1 . 17076 1 1349 . 1 1 124 124 GLU HB3 H 1 1.970 0.03 . 2 . . . . 121 E HB2 . 17076 1 1350 . 1 1 124 124 GLU HG2 H 1 2.268 0.03 . 2 . . . . 121 E HG1 . 17076 1 1351 . 1 1 124 124 GLU HG3 H 1 2.111 0.03 . 2 . . . . 121 E HG2 . 17076 1 1352 . 1 1 124 124 GLU C C 13 178.963 0.3 . 1 . . . . 121 E C . 17076 1 1353 . 1 1 124 124 GLU CA C 13 59.100 0.3 . 1 . . . . 121 E CA . 17076 1 1354 . 1 1 124 124 GLU CB C 13 29.728 0.3 . 1 . . . . 121 E CB . 17076 1 1355 . 1 1 124 124 GLU CG C 13 36.149 0.3 . 1 . . . . 121 E CG . 17076 1 1356 . 1 1 124 124 GLU N N 15 116.988 0.3 . 1 . . . . 121 E N . 17076 1 1357 . 1 1 125 125 ARG H H 1 7.380 0.03 . 1 . . . . 122 R HN . 17076 1 1358 . 1 1 125 125 ARG HA H 1 3.548 0.03 . 1 . . . . 122 R HA . 17076 1 1359 . 1 1 125 125 ARG HB2 H 1 -0.600 0.03 . 2 . . . . 122 R HB1 . 17076 1 1360 . 1 1 125 125 ARG HB3 H 1 0.710 0.03 . 2 . . . . 122 R HB2 . 17076 1 1361 . 1 1 125 125 ARG HD2 H 1 2.230 0.03 . 2 . . . . 122 R HD1 . 17076 1 1362 . 1 1 125 125 ARG HD3 H 1 2.038 0.03 . 2 . . . . 122 R HD2 . 17076 1 1363 . 1 1 125 125 ARG HG2 H 1 1.024 0.03 . 2 . . . . 122 R HG1 . 17076 1 1364 . 1 1 125 125 ARG HG3 H 1 1.212 0.03 . 2 . . . . 122 R HG2 . 17076 1 1365 . 1 1 125 125 ARG C C 13 179.387 0.3 . 1 . . . . 122 R C . 17076 1 1366 . 1 1 125 125 ARG CA C 13 58.990 0.3 . 1 . . . . 122 R CA . 17076 1 1367 . 1 1 125 125 ARG CB C 13 26.620 0.3 . 1 . . . . 122 R CB . 17076 1 1368 . 1 1 125 125 ARG CD C 13 42.561 0.3 . 1 . . . . 122 R CD . 17076 1 1369 . 1 1 125 125 ARG CG C 13 27.786 0.3 . 1 . . . . 122 R CG . 17076 1 1370 . 1 1 125 125 ARG N N 15 118.880 0.3 . 1 . . . . 122 R N . 17076 1 1371 . 1 1 126 126 VAL H H 1 8.687 0.03 . 1 . . . . 123 V HN . 17076 1 1372 . 1 1 126 126 VAL HA H 1 3.824 0.03 . 1 . . . . 123 V HA . 17076 1 1373 . 1 1 126 126 VAL HB H 1 2.231 0.03 . 1 . . . . 123 V HB . 17076 1 1374 . 1 1 126 126 VAL HG11 H 1 0.952 0.03 . 2 . . . . 123 V HG11 . 17076 1 1375 . 1 1 126 126 VAL HG12 H 1 0.952 0.03 . 2 . . . . 123 V HG11 . 17076 1 1376 . 1 1 126 126 VAL HG13 H 1 0.952 0.03 . 2 . . . . 123 V HG11 . 17076 1 1377 . 1 1 126 126 VAL HG21 H 1 1.356 0.03 . 2 . . . . 123 V HG21 . 17076 1 1378 . 1 1 126 126 VAL HG22 H 1 1.356 0.03 . 2 . . . . 123 V HG21 . 17076 1 1379 . 1 1 126 126 VAL HG23 H 1 1.356 0.03 . 2 . . . . 123 V HG21 . 17076 1 1380 . 1 1 126 126 VAL C C 13 177.386 0.3 . 1 . . . . 123 V C . 17076 1 1381 . 1 1 126 126 VAL CA C 13 67.850 0.3 . 1 . . . . 123 V CA . 17076 1 1382 . 1 1 126 126 VAL CB C 13 31.050 0.3 . 1 . . . . 123 V CB . 17076 1 1383 . 1 1 126 126 VAL CG1 C 13 22.264 0.3 . 1 . . . . 123 V CG1 . 17076 1 1384 . 1 1 126 126 VAL CG2 C 13 24.886 0.3 . 1 . . . . 123 V CG2 . 17076 1 1385 . 1 1 126 126 VAL N N 15 122.660 0.3 . 1 . . . . 123 V N . 17076 1 1386 . 1 1 127 127 GLU H H 1 8.696 0.03 . 1 . . . . 124 E HN . 17076 1 1387 . 1 1 127 127 GLU HA H 1 3.780 0.03 . 1 . . . . 124 E HA . 17076 1 1388 . 1 1 127 127 GLU HB2 H 1 1.912 0.03 . 2 . . . . 124 E HB1 . 17076 1 1389 . 1 1 127 127 GLU HB3 H 1 2.186 0.03 . 2 . . . . 124 E HB2 . 17076 1 1390 . 1 1 127 127 GLU HG2 H 1 2.135 0.03 . 2 . . . . 124 E HG1 . 17076 1 1391 . 1 1 127 127 GLU HG3 H 1 2.343 0.03 . 2 . . . . 124 E HG2 . 17076 1 1392 . 1 1 127 127 GLU C C 13 179.925 0.3 . 1 . . . . 124 E C . 17076 1 1393 . 1 1 127 127 GLU CA C 13 60.658 0.3 . 1 . . . . 124 E CA . 17076 1 1394 . 1 1 127 127 GLU CB C 13 29.579 0.3 . 1 . . . . 124 E CB . 17076 1 1395 . 1 1 127 127 GLU CG C 13 37.858 0.3 . 1 . . . . 124 E CG . 17076 1 1396 . 1 1 127 127 GLU N N 15 121.363 0.3 . 1 . . . . 124 E N . 17076 1 1397 . 1 1 128 128 ASN H H 1 7.932 0.03 . 1 . . . . 125 N HN . 17076 1 1398 . 1 1 128 128 ASN HA H 1 4.411 0.03 . 1 . . . . 125 N HA . 17076 1 1399 . 1 1 128 128 ASN HB2 H 1 2.722 0.03 . 2 . . . . 125 N HB1 . 17076 1 1400 . 1 1 128 128 ASN HB3 H 1 2.800 0.03 . 2 . . . . 125 N HB2 . 17076 1 1401 . 1 1 128 128 ASN HD21 H 1 7.631 0.03 . 2 . . . . 125 N HD21 . 17076 1 1402 . 1 1 128 128 ASN HD22 H 1 6.999 0.03 . 2 . . . . 125 N HD22 . 17076 1 1403 . 1 1 128 128 ASN C C 13 177.155 0.3 . 1 . . . . 125 N C . 17076 1 1404 . 1 1 128 128 ASN CA C 13 56.084 0.3 . 1 . . . . 125 N CA . 17076 1 1405 . 1 1 128 128 ASN CB C 13 38.479 0.3 . 1 . . . . 125 N CB . 17076 1 1406 . 1 1 128 128 ASN N N 15 118.720 0.3 . 1 . . . . 125 N N . 17076 1 1407 . 1 1 128 128 ASN ND2 N 15 113.274 0.3 . 1 . . . . 125 N ND2 . 17076 1 1408 . 1 1 129 129 LEU H H 1 8.220 0.03 . 1 . . . . 126 L HN . 17076 1 1409 . 1 1 129 129 LEU HA H 1 4.295 0.03 . 1 . . . . 126 L HA . 17076 1 1410 . 1 1 129 129 LEU HB2 H 1 2.056 0.03 . 2 . . . . 126 L HB1 . 17076 1 1411 . 1 1 129 129 LEU HB3 H 1 2.459 0.03 . 2 . . . . 126 L HB2 . 17076 1 1412 . 1 1 129 129 LEU HD11 H 1 1.016 0.03 . 2 . . . . 126 L HD11 . 17076 1 1413 . 1 1 129 129 LEU HD12 H 1 1.016 0.03 . 2 . . . . 126 L HD11 . 17076 1 1414 . 1 1 129 129 LEU HD13 H 1 1.016 0.03 . 2 . . . . 126 L HD11 . 17076 1 1415 . 1 1 129 129 LEU HD21 H 1 1.586 0.03 . 2 . . . . 126 L HD21 . 17076 1 1416 . 1 1 129 129 LEU HD22 H 1 1.586 0.03 . 2 . . . . 126 L HD21 . 17076 1 1417 . 1 1 129 129 LEU HD23 H 1 1.586 0.03 . 2 . . . . 126 L HD21 . 17076 1 1418 . 1 1 129 129 LEU HG H 1 1.028 0.03 . 1 . . . . 126 L HG . 17076 1 1419 . 1 1 129 129 LEU C C 13 178.502 0.3 . 1 . . . . 126 L C . 17076 1 1420 . 1 1 129 129 LEU CA C 13 58.295 0.3 . 1 . . . . 126 L CA . 17076 1 1421 . 1 1 129 129 LEU CB C 13 42.481 0.3 . 1 . . . . 126 L CB . 17076 1 1422 . 1 1 129 129 LEU CD1 C 13 22.781 0.3 . 1 . . . . 126 L CD1 . 17076 1 1423 . 1 1 129 129 LEU CG C 13 26.694 0.3 . 1 . . . . 126 L CG . 17076 1 1424 . 1 1 129 129 LEU N N 15 123.119 0.3 . 1 . . . . 126 L N . 17076 1 1425 . 1 1 130 130 ILE H H 1 8.589 0.03 . 1 . . . . 127 I HN . 17076 1 1426 . 1 1 130 130 ILE HA H 1 3.462 0.03 . 1 . . . . 127 I HA . 17076 1 1427 . 1 1 130 130 ILE HB H 1 1.912 0.03 . 1 . . . . 127 I HB . 17076 1 1428 . 1 1 130 130 ILE HD11 H 1 0.776 0.03 . 1 . . . . 127 I HD11 . 17076 1 1429 . 1 1 130 130 ILE HD12 H 1 0.776 0.03 . 1 . . . . 127 I HD11 . 17076 1 1430 . 1 1 130 130 ILE HD13 H 1 0.776 0.03 . 1 . . . . 127 I HD11 . 17076 1 1431 . 1 1 130 130 ILE HG12 H 1 1.061 0.03 . 1 . . . . 127 I HG11 . 17076 1 1432 . 1 1 130 130 ILE HG13 H 1 1.865 0.03 . 1 . . . . 127 I HG12 . 17076 1 1433 . 1 1 130 130 ILE HG21 H 1 0.888 0.03 . 1 . . . . 127 I HG21 . 17076 1 1434 . 1 1 130 130 ILE HG22 H 1 0.888 0.03 . 1 . . . . 127 I HG21 . 17076 1 1435 . 1 1 130 130 ILE HG23 H 1 0.888 0.03 . 1 . . . . 127 I HG21 . 17076 1 1436 . 1 1 130 130 ILE C C 13 178.386 0.3 . 1 . . . . 127 I C . 17076 1 1437 . 1 1 130 130 ILE CA C 13 65.556 0.3 . 1 . . . . 127 I CA . 17076 1 1438 . 1 1 130 130 ILE CB C 13 37.547 0.3 . 1 . . . . 127 I CB . 17076 1 1439 . 1 1 130 130 ILE CD1 C 13 14.490 0.3 . 1 . . . . 127 I CD1 . 17076 1 1440 . 1 1 130 130 ILE CG1 C 13 30.626 0.3 . 1 . . . . 127 I CG1 . 17076 1 1441 . 1 1 130 130 ILE CG2 C 13 17.647 0.3 . 1 . . . . 127 I CG2 . 17076 1 1442 . 1 1 130 130 ILE N N 15 118.388 0.3 . 1 . . . . 127 I N . 17076 1 1443 . 1 1 131 131 ALA H H 1 7.596 0.03 . 1 . . . . 128 A HN . 17076 1 1444 . 1 1 131 131 ALA HA H 1 4.192 0.03 . 1 . . . . 128 A HA . 17076 1 1445 . 1 1 131 131 ALA HB1 H 1 1.534 0.03 . 1 . . . . 128 A HB1 . 17076 1 1446 . 1 1 131 131 ALA HB2 H 1 1.534 0.03 . 1 . . . . 128 A HB1 . 17076 1 1447 . 1 1 131 131 ALA HB3 H 1 1.534 0.03 . 1 . . . . 128 A HB1 . 17076 1 1448 . 1 1 131 131 ALA C C 13 179.271 0.3 . 1 . . . . 128 A C . 17076 1 1449 . 1 1 131 131 ALA CA C 13 54.776 0.3 . 1 . . . . 128 A CA . 17076 1 1450 . 1 1 131 131 ALA CB C 13 18.262 0.3 . 1 . . . . 128 A CB . 17076 1 1451 . 1 1 131 131 ALA N N 15 121.498 0.3 . 1 . . . . 128 A N . 17076 1 1452 . 1 1 132 132 LYS H H 1 7.708 0.03 . 1 . . . . 129 K HN . 17076 1 1453 . 1 1 132 132 LYS HA H 1 4.348 0.03 . 1 . . . . 129 K HA . 17076 1 1454 . 1 1 132 132 LYS HB2 H 1 2.052 0.03 . 2 . . . . 129 K HB2 . 17076 1 1455 . 1 1 132 132 LYS HD2 H 1 1.738 0.03 . 2 . . . . 129 K HD2 . 17076 1 1456 . 1 1 132 132 LYS HE2 H 1 2.909 0.03 . 2 . . . . 129 K HE1 . 17076 1 1457 . 1 1 132 132 LYS HE3 H 1 2.988 0.03 . 2 . . . . 129 K HE2 . 17076 1 1458 . 1 1 132 132 LYS HG2 H 1 1.596 0.03 . 2 . . . . 129 K HG2 . 17076 1 1459 . 1 1 132 132 LYS C C 13 178.502 0.3 . 1 . . . . 129 K C . 17076 1 1460 . 1 1 132 132 LYS CA C 13 58.285 0.3 . 1 . . . . 129 K CA . 17076 1 1461 . 1 1 132 132 LYS CB C 13 33.311 0.3 . 1 . . . . 129 K CB . 17076 1 1462 . 1 1 132 132 LYS CD C 13 29.837 0.3 . 1 . . . . 129 K CD . 17076 1 1463 . 1 1 132 132 LYS CE C 13 42.369 0.3 . 1 . . . . 129 K CE . 17076 1 1464 . 1 1 132 132 LYS CG C 13 25.058 0.3 . 1 . . . . 129 K CG . 17076 1 1465 . 1 1 132 132 LYS N N 15 117.255 0.3 . 1 . . . . 129 K N . 17076 1 1466 . 1 1 133 133 ILE H H 1 7.606 0.03 . 1 . . . . 130 I HN . 17076 1 1467 . 1 1 133 133 ILE HA H 1 4.558 0.03 . 1 . . . . 130 I HA . 17076 1 1468 . 1 1 133 133 ILE HB H 1 2.106 0.03 . 1 . . . . 130 I HB . 17076 1 1469 . 1 1 133 133 ILE HD11 H 1 0.699 0.03 . 1 . . . . 130 I HD11 . 17076 1 1470 . 1 1 133 133 ILE HD12 H 1 0.699 0.03 . 1 . . . . 130 I HD11 . 17076 1 1471 . 1 1 133 133 ILE HD13 H 1 0.699 0.03 . 1 . . . . 130 I HD11 . 17076 1 1472 . 1 1 133 133 ILE HG12 H 1 1.542 0.03 . 1 . . . . 130 I HG11 . 17076 1 1473 . 1 1 133 133 ILE HG13 H 1 1.346 0.03 . 1 . . . . 130 I HG12 . 17076 1 1474 . 1 1 133 133 ILE HG21 H 1 0.878 0.03 . 1 . . . . 130 I HG21 . 17076 1 1475 . 1 1 133 133 ILE HG22 H 1 0.878 0.03 . 1 . . . . 130 I HG21 . 17076 1 1476 . 1 1 133 133 ILE HG23 H 1 0.878 0.03 . 1 . . . . 130 I HG21 . 17076 1 1477 . 1 1 133 133 ILE C C 13 175.000 0.3 . 1 . . . . 130 I C . 17076 1 1478 . 1 1 133 133 ILE CA C 13 61.391 0.3 . 1 . . . . 130 I CA . 17076 1 1479 . 1 1 133 133 ILE CB C 13 38.781 0.3 . 1 . . . . 130 I CB . 17076 1 1480 . 1 1 133 133 ILE CD1 C 13 14.847 0.3 . 1 . . . . 130 I CD1 . 17076 1 1481 . 1 1 133 133 ILE CG1 C 13 25.230 0.3 . 1 . . . . 130 I CG1 . 17076 1 1482 . 1 1 133 133 ILE CG2 C 13 17.480 0.3 . 1 . . . . 130 I CG2 . 17076 1 1483 . 1 1 133 133 ILE N N 15 112.632 0.3 . 1 . . . . 130 I N . 17076 1 1484 . 1 1 134 134 SER H H 1 7.552 0.03 . 1 . . . . 131 S HN . 17076 1 1485 . 1 1 134 134 SER HA H 1 4.363 0.03 . 1 . . . . 131 S HA . 17076 1 1486 . 1 1 134 134 SER HB2 H 1 3.816 0.03 . 2 . . . . 131 S HB1 . 17076 1 1487 . 1 1 134 134 SER HB3 H 1 3.944 0.03 . 2 . . . . 131 S HB2 . 17076 1 1488 . 1 1 134 134 SER C C 13 178.271 0.3 . 1 . . . . 131 S C . 17076 1 1489 . 1 1 134 134 SER CA C 13 60.808 0.3 . 1 . . . . 131 S CA . 17076 1 1490 . 1 1 134 134 SER CB C 13 65.574 0.3 . 1 . . . . 131 S CB . 17076 1 1491 . 1 1 134 134 SER N N 15 124.380 0.3 . 1 . . . . 131 S N . 17076 1 stop_ save_