data_18125 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18125 _Entry.Title ; Resonance assignments of the 56 kDa chimeric avidin in the biotin-bound and free forms ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-08 _Entry.Accession_date 2011-12-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Helena Tossavainen . . . 18125 2 Satu Helppolainen . H. . 18125 3 Juha Maatta . AE . 18125 4 Tero Pihlajamaa . . . 18125 5 Vesa Hytonen . P. . 18125 6 Markku Kulomaa . S. . 18125 7 Perttu Permi . . . 18125 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18125 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 18125 '15N chemical shifts' 120 18125 '1H chemical shifts' 851 18125 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 . . 2013-03-25 2011-12-08 update BMRB 'update entry citation' 18125 1 . . 2012-03-09 2011-12-08 original author 'original release' 18125 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18123 '56 kDa chimeric avidin' 18125 PDB 2MF6 'BMRB Entry Tracking System' 18125 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18125 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22392339 _Citation.Full_citation . _Citation.Title 'Resonance assignments of the 56kDa chimeric avidin in the biotin-bound and free forms.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _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 35 _Citation.Page_last 38 _Citation.Year 2013 _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 Helena Tossavainen . . . 18125 1 2 Satu Helppolainen . H. . 18125 1 3 Juha Maatta . A.E. . 18125 1 4 Tero Pihlajamaa . . . 18125 1 5 Vesa Hytonen . P. . 18125 1 6 Markku Kulomaa . S. . 18125 1 7 Perttu Permi . . . 18125 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID biotin 18125 1 'chimeric avidin' 18125 1 'ligand binding' 18125 1 thermostability 18125 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18125 _Assembly.ID 1 _Assembly.Name avidin _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 avidin 1 $avidin A . yes native no no . . . 18125 1 2 BTN 1 $BTN B . no native no no . . . 18125 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 84 84 SG . . . . . . . . . . 18125 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_avidin _Entity.Sf_category entity _Entity.Sf_framecode avidin _Entity.Entry_ID 18125 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name avidin _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 ; QTVARKCSLTGKWTNDLGSN MTIGAVNSRGEFTGTYITAV ADNPGNITLSPLLGIQHKRA SQPTFGFTVNWKFSESTTVF TGQCFIDRNGKEVLKTMWLL RSSVNDIGDDWKATRVGYNI FTRLRTQKE ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 18123 . avidin . . . . . 100.00 129 100.00 100.00 1.04e-88 . . . . 18125 1 2 no PDB 2MF6 . "Solution Nmr Structure Of Chimeric Avidin, Chiavd(i117y), In The Biotin Bound Form" . . . . . 100.00 129 100.00 100.00 1.04e-88 . . . . 18125 1 3 no PDB 3MM0 . "Crystal Structure Of Chimeric Avidin" . . . . . 100.00 129 100.00 100.00 1.04e-88 . . . . 18125 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 -3 GLN . 18125 1 2 -2 THR . 18125 1 3 -1 VAL . 18125 1 4 1 ALA . 18125 1 5 2 ARG . 18125 1 6 3 LYS . 18125 1 7 4 CYS . 18125 1 8 5 SER . 18125 1 9 6 LEU . 18125 1 10 7 THR . 18125 1 11 8 GLY . 18125 1 12 9 LYS . 18125 1 13 10 TRP . 18125 1 14 11 THR . 18125 1 15 12 ASN . 18125 1 16 13 ASP . 18125 1 17 14 LEU . 18125 1 18 15 GLY . 18125 1 19 16 SER . 18125 1 20 17 ASN . 18125 1 21 18 MET . 18125 1 22 19 THR . 18125 1 23 20 ILE . 18125 1 24 21 GLY . 18125 1 25 22 ALA . 18125 1 26 23 VAL . 18125 1 27 24 ASN . 18125 1 28 25 SER . 18125 1 29 26 ARG . 18125 1 30 27 GLY . 18125 1 31 28 GLU . 18125 1 32 29 PHE . 18125 1 33 30 THR . 18125 1 34 31 GLY . 18125 1 35 32 THR . 18125 1 36 33 TYR . 18125 1 37 34 ILE . 18125 1 38 35 THR . 18125 1 39 36 ALA . 18125 1 40 37 VAL . 18125 1 41 38 ALA . 18125 1 42 39 ASP . 18125 1 43 40 ASN . 18125 1 44 41 PRO . 18125 1 45 42 GLY . 18125 1 46 43 ASN . 18125 1 47 44 ILE . 18125 1 48 45 THR . 18125 1 49 46 LEU . 18125 1 50 47 SER . 18125 1 51 48 PRO . 18125 1 52 49 LEU . 18125 1 53 50 LEU . 18125 1 54 51 GLY . 18125 1 55 52 ILE . 18125 1 56 53 GLN . 18125 1 57 54 HIS . 18125 1 58 57 LYS . 18125 1 59 58 ARG . 18125 1 60 59 ALA . 18125 1 61 60 SER . 18125 1 62 61 GLN . 18125 1 63 62 PRO . 18125 1 64 63 THR . 18125 1 65 64 PHE . 18125 1 66 65 GLY . 18125 1 67 66 PHE . 18125 1 68 67 THR . 18125 1 69 68 VAL . 18125 1 70 69 ASN . 18125 1 71 70 TRP . 18125 1 72 71 LYS . 18125 1 73 72 PHE . 18125 1 74 73 SER . 18125 1 75 74 GLU . 18125 1 76 75 SER . 18125 1 77 76 THR . 18125 1 78 77 THR . 18125 1 79 78 VAL . 18125 1 80 79 PHE . 18125 1 81 80 THR . 18125 1 82 81 GLY . 18125 1 83 82 GLN . 18125 1 84 83 CYS . 18125 1 85 84 PHE . 18125 1 86 85 ILE . 18125 1 87 86 ASP . 18125 1 88 87 ARG . 18125 1 89 88 ASN . 18125 1 90 89 GLY . 18125 1 91 90 LYS . 18125 1 92 91 GLU . 18125 1 93 92 VAL . 18125 1 94 93 LEU . 18125 1 95 94 LYS . 18125 1 96 95 THR . 18125 1 97 96 MET . 18125 1 98 97 TRP . 18125 1 99 98 LEU . 18125 1 100 99 LEU . 18125 1 101 100 ARG . 18125 1 102 101 SER . 18125 1 103 102 SER . 18125 1 104 103 VAL . 18125 1 105 104 ASN . 18125 1 106 105 ASP . 18125 1 107 106 ILE . 18125 1 108 107 GLY . 18125 1 109 108 ASP . 18125 1 110 109 ASP . 18125 1 111 110 TRP . 18125 1 112 111 LYS . 18125 1 113 112 ALA . 18125 1 114 113 THR . 18125 1 115 114 ARG . 18125 1 116 115 VAL . 18125 1 117 116 GLY . 18125 1 118 117 TYR . 18125 1 119 118 ASN . 18125 1 120 119 ILE . 18125 1 121 120 PHE . 18125 1 122 121 THR . 18125 1 123 122 ARG . 18125 1 124 123 LEU . 18125 1 125 124 ARG . 18125 1 126 125 THR . 18125 1 127 126 GLN . 18125 1 128 127 LYS . 18125 1 129 128 GLU . 18125 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 . GLN 1 1 18125 1 . THR 2 2 18125 1 . VAL 3 3 18125 1 . ALA 4 4 18125 1 . ARG 5 5 18125 1 . LYS 6 6 18125 1 . CYS 7 7 18125 1 . SER 8 8 18125 1 . LEU 9 9 18125 1 . THR 10 10 18125 1 . GLY 11 11 18125 1 . LYS 12 12 18125 1 . TRP 13 13 18125 1 . THR 14 14 18125 1 . ASN 15 15 18125 1 . ASP 16 16 18125 1 . LEU 17 17 18125 1 . GLY 18 18 18125 1 . SER 19 19 18125 1 . ASN 20 20 18125 1 . MET 21 21 18125 1 . THR 22 22 18125 1 . ILE 23 23 18125 1 . GLY 24 24 18125 1 . ALA 25 25 18125 1 . VAL 26 26 18125 1 . ASN 27 27 18125 1 . SER 28 28 18125 1 . ARG 29 29 18125 1 . GLY 30 30 18125 1 . GLU 31 31 18125 1 . PHE 32 32 18125 1 . THR 33 33 18125 1 . GLY 34 34 18125 1 . THR 35 35 18125 1 . TYR 36 36 18125 1 . ILE 37 37 18125 1 . THR 38 38 18125 1 . ALA 39 39 18125 1 . VAL 40 40 18125 1 . ALA 41 41 18125 1 . ASP 42 42 18125 1 . ASN 43 43 18125 1 . PRO 44 44 18125 1 . GLY 45 45 18125 1 . ASN 46 46 18125 1 . ILE 47 47 18125 1 . THR 48 48 18125 1 . LEU 49 49 18125 1 . SER 50 50 18125 1 . PRO 51 51 18125 1 . LEU 52 52 18125 1 . LEU 53 53 18125 1 . GLY 54 54 18125 1 . ILE 55 55 18125 1 . GLN 56 56 18125 1 . HIS 57 57 18125 1 . LYS 58 58 18125 1 . ARG 59 59 18125 1 . ALA 60 60 18125 1 . SER 61 61 18125 1 . GLN 62 62 18125 1 . PRO 63 63 18125 1 . THR 64 64 18125 1 . PHE 65 65 18125 1 . GLY 66 66 18125 1 . PHE 67 67 18125 1 . THR 68 68 18125 1 . VAL 69 69 18125 1 . ASN 70 70 18125 1 . TRP 71 71 18125 1 . LYS 72 72 18125 1 . PHE 73 73 18125 1 . SER 74 74 18125 1 . GLU 75 75 18125 1 . SER 76 76 18125 1 . THR 77 77 18125 1 . THR 78 78 18125 1 . VAL 79 79 18125 1 . PHE 80 80 18125 1 . THR 81 81 18125 1 . GLY 82 82 18125 1 . GLN 83 83 18125 1 . CYS 84 84 18125 1 . PHE 85 85 18125 1 . ILE 86 86 18125 1 . ASP 87 87 18125 1 . ARG 88 88 18125 1 . ASN 89 89 18125 1 . GLY 90 90 18125 1 . LYS 91 91 18125 1 . GLU 92 92 18125 1 . VAL 93 93 18125 1 . LEU 94 94 18125 1 . LYS 95 95 18125 1 . THR 96 96 18125 1 . MET 97 97 18125 1 . TRP 98 98 18125 1 . LEU 99 99 18125 1 . LEU 100 100 18125 1 . ARG 101 101 18125 1 . SER 102 102 18125 1 . SER 103 103 18125 1 . VAL 104 104 18125 1 . ASN 105 105 18125 1 . ASP 106 106 18125 1 . ILE 107 107 18125 1 . GLY 108 108 18125 1 . ASP 109 109 18125 1 . ASP 110 110 18125 1 . TRP 111 111 18125 1 . LYS 112 112 18125 1 . ALA 113 113 18125 1 . THR 114 114 18125 1 . ARG 115 115 18125 1 . VAL 116 116 18125 1 . GLY 117 117 18125 1 . TYR 118 118 18125 1 . ASN 119 119 18125 1 . ILE 120 120 18125 1 . PHE 121 121 18125 1 . THR 122 122 18125 1 . ARG 123 123 18125 1 . LEU 124 124 18125 1 . ARG 125 125 18125 1 . THR 126 126 18125 1 . GLN 127 127 18125 1 . LYS 128 128 18125 1 . GLU 129 129 18125 1 stop_ save_ save_BTN _Entity.Sf_category entity _Entity.Sf_framecode BTN _Entity.Entry_ID 18125 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name BTN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID BTN _Entity.Nonpolymer_comp_label $chem_comp_BTN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 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 . BTN . 18125 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18125 _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 $avidin . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 18125 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 18125 _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 $avidin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET101D . . . . . . 18125 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_BTN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BTN _Chem_comp.Entry_ID 18125 _Chem_comp.ID BTN _Chem_comp.Provenance . _Chem_comp.Name BIOTIN _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code BTN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code BTN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H16 N2 O3 S' _Chem_comp.Formula_weight 244.311 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1DF8 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 10:45:24 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 SMILES 'OpenEye OEToolkits' 1.5.0 18125 BTN C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18125 BTN InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 InChI InChI 1.03 18125 BTN O=C1NC2C(SCC2N1)CCCCC(=O)O SMILES ACDLabs 10.04 18125 BTN OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 SMILES_CANONICAL CACTVS 3.341 18125 BTN OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12 SMILES CACTVS 3.341 18125 BTN YBJHBAHKTGYVGT-ZKWXMUAHSA-N InChIKey InChI 1.03 18125 BTN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18125 BTN '5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 18125 BTN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C11 . C11 . . C . . N 0 . . . . no no . . . . 32.564 . 18.139 . 14.071 . 0.280 -0.183 5.072 1 . 18125 BTN O11 . O11 . . O . . N 0 . . . . no no . . . . 33.426 . 17.463 . 13.473 . 1.470 -0.024 4.941 2 . 18125 BTN O12 . O12 . . O . . N 0 . . . . no no . . . . 32.532 . 19.392 . 13.966 . -0.229 -0.480 6.277 3 . 18125 BTN C10 . C10 . . C . . N 0 . . . . no no . . . . 31.599 . 17.450 . 14.962 . -0.632 -0.049 3.880 4 . 18125 BTN C9 . C9 . . C . . N 0 . . . . no no . . . . 31.226 . 16.046 . 14.560 . 0.194 0.290 2.639 5 . 18125 BTN C8 . C8 . . C . . N 0 . . . . no no . . . . 30.516 . 16.036 . 13.200 . -0.732 0.426 1.429 6 . 18125 BTN C7 . C7 . . C . . N 0 . . . . no no . . . . 30.016 . 14.626 . 12.822 . 0.095 0.766 0.188 7 . 18125 BTN C2 . C2 . . C . . S 0 . . . . no no . . . . 29.208 . 14.551 . 11.545 . -0.831 0.903 -1.020 8 . 18125 BTN S1 . S1 . . S . . N 0 . . . . no no . . . . 27.511 . 15.228 . 11.703 . -1.643 -0.705 -1.418 9 . 18125 BTN C6 . C6 . . C . . N 0 . . . . no no . . . . 27.167 . 14.650 . 10.023 . -1.808 -0.443 -3.237 10 . 18125 BTN C5 . C5 . . C . . R 0 . . . . no no . . . . 27.736 . 13.248 . 9.974 . -0.564 0.420 -3.535 11 . 18125 BTN N1 . N1 . . N . . N 0 . . . . no no . . . . 26.885 . 12.181 . 10.497 . 0.545 -0.458 -3.938 12 . 18125 BTN C3 . C3 . . C . . N 0 . . . . no no . . . . 27.458 . 11.546 . 11.529 . 1.574 -0.273 -3.099 13 . 18125 BTN O3 . O3 . . O . . N 0 . . . . no no . . . . 26.977 . 10.602 . 12.205 . 2.627 -0.873 -3.199 14 . 18125 BTN N2 . N2 . . N . . N 0 . . . . no no . . . . 28.648 . 12.121 . 11.821 . 1.337 0.633 -2.141 15 . 18125 BTN C4 . C4 . . C . . S 0 . . . . no no . . . . 28.967 . 13.206 . 10.901 . -0.024 1.165 -2.310 16 . 18125 BTN HO2 . HO2 . . H . . N 0 . . . . no no . . . . 31.875 . 19.906 . 14.421 . 0.356 -0.566 7.042 17 . 18125 BTN H101 . H101 . . H . . N 0 . . . . no no . . . . 31.977 . 17.457 . 16.010 . -1.160 -0.989 3.719 18 . 18125 BTN H102 . H102 . . H . . N 0 . . . . no no . . . . 30.679 . 18.069 . 15.078 . -1.355 0.746 4.064 19 . 18125 BTN H91 . H91 . . H . . N 0 . . . . no no . . . . 32.110 . 15.366 . 14.568 . 0.722 1.230 2.800 20 . 18125 BTN H92 . H92 . . H . . N 0 . . . . no no . . . . 30.617 . 15.540 . 15.345 . 0.917 -0.505 2.455 21 . 18125 BTN H81 . H81 . . H . . N 0 . . . . no no . . . . 29.687 . 16.781 . 13.170 . -1.260 -0.513 1.268 22 . 18125 BTN H82 . H82 . . H . . N 0 . . . . no no . . . . 31.165 . 16.463 . 12.400 . -1.454 1.222 1.613 23 . 18125 BTN H71 . H71 . . H . . N 0 . . . . no no . . . . 30.873 . 13.914 . 12.776 . 0.623 1.706 0.350 24 . 18125 BTN H72 . H72 . . H . . N 0 . . . . no no . . . . 29.439 . 14.183 . 13.667 . 0.817 -0.029 0.005 25 . 18125 BTN H2 . H2 . . H . . N 0 . . . . no no . . . . 29.903 . 15.146 . 10.908 . -1.572 1.685 -0.856 26 . 18125 BTN H61 . H61 . . H . . N 0 . . . . no no . . . . 26.092 . 14.713 . 9.732 . -1.765 -1.391 -3.775 27 . 18125 BTN H62 . H62 . . H . . N 0 . . . . no no . . . . 27.553 . 15.324 . 9.223 . -2.725 0.096 -3.473 28 . 18125 BTN H5 . H5 . . H . . N 0 . . . . no no . . . . 27.910 . 13.063 . 8.888 . -0.785 1.131 -4.331 29 . 18125 BTN HN1 . HN1 . . H . . N 0 . . . . no no . . . . 26.616 . 11.526 . 9.761 . 0.533 -1.072 -4.689 30 . 18125 BTN HN2 . HN2 . . H . . N 0 . . . . no no . . . . 29.211 . 11.791 . 12.604 . 1.962 0.896 -1.448 31 . 18125 BTN H4 . H4 . . H . . N 0 . . . . no no . . . . 29.936 . 13.010 . 10.385 . 0.014 2.236 -2.510 32 . 18125 BTN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C11 O11 no N 1 . 18125 BTN 2 . SING C11 O12 no N 2 . 18125 BTN 3 . SING C11 C10 no N 3 . 18125 BTN 4 . SING O12 HO2 no N 4 . 18125 BTN 5 . SING C10 C9 no N 5 . 18125 BTN 6 . SING C10 H101 no N 6 . 18125 BTN 7 . SING C10 H102 no N 7 . 18125 BTN 8 . SING C9 C8 no N 8 . 18125 BTN 9 . SING C9 H91 no N 9 . 18125 BTN 10 . SING C9 H92 no N 10 . 18125 BTN 11 . SING C8 C7 no N 11 . 18125 BTN 12 . SING C8 H81 no N 12 . 18125 BTN 13 . SING C8 H82 no N 13 . 18125 BTN 14 . SING C7 C2 no N 14 . 18125 BTN 15 . SING C7 H71 no N 15 . 18125 BTN 16 . SING C7 H72 no N 16 . 18125 BTN 17 . SING C2 S1 no N 17 . 18125 BTN 18 . SING C2 C4 no N 18 . 18125 BTN 19 . SING C2 H2 no N 19 . 18125 BTN 20 . SING S1 C6 no N 20 . 18125 BTN 21 . SING C6 C5 no N 21 . 18125 BTN 22 . SING C6 H61 no N 22 . 18125 BTN 23 . SING C6 H62 no N 23 . 18125 BTN 24 . SING C5 N1 no N 24 . 18125 BTN 25 . SING C5 C4 no N 25 . 18125 BTN 26 . SING C5 H5 no N 26 . 18125 BTN 27 . SING N1 C3 no N 27 . 18125 BTN 28 . SING N1 HN1 no N 28 . 18125 BTN 29 . DOUB C3 O3 no N 29 . 18125 BTN 30 . SING C3 N2 no N 30 . 18125 BTN 31 . SING N2 C4 no N 31 . 18125 BTN 32 . SING N2 HN2 no N 32 . 18125 BTN 33 . SING C4 H4 no N 33 . 18125 BTN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18125 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 avidin '[U-13C; U-15N]' . . 1 $avidin . . . 0.7 1.2 mM . . . . 18125 1 2 d-biotin 'natural abundance' . . . . . . . 0.7 1.2 mM . . . . 18125 1 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18125 1 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18125 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18125 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 avidin '[U-13C; U-15N]' . . 1 $avidin . . . 0.7 1.2 mM . . . . 18125 2 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18125 2 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18125 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 18125 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 18125 1 pressure 1 . atm 18125 1 temperature 333 . K 18125 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18125 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 18125 2 pressure 1 . atm 18125 2 temperature 343 . K 18125 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18125 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18125 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18125 1 processing 18125 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18125 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18125 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18125 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 18125 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity INOVA' _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 18125 _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 Varian 'Unity INOVA' . 800 . . . 18125 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 18125 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18125 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18125 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18125 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18125 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18125 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18125 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18125 1 8 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18125 1 9 HCCmHm no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18125 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18125 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18125 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 18125 _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 carbon' . . . . ppm 175.20 na indirect 0.25144953 . . . . . . . . . 18125 1 H 1 water protons . . . . ppm 4.40 internal direct 1.00000000 . . . . . . . . . 18125 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 117.81 na indirect 0.10132912 . . . . . . . . . 18125 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 18125 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18125 1 2 '2D 1H-13C HSQC' . . . 18125 1 3 '3D HNCACB' . . . 18125 1 4 '3D CBCA(CO)NH' . . . 18125 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR HA H 1 4.42 0.02 . 1 . . . . -2 THR HA . 18125 1 2 . 1 1 2 2 THR HB H 1 4.2 0.02 . 1 . . . . -2 THR HB . 18125 1 3 . 1 1 2 2 THR HG21 H 1 1.23 0.02 . 1 . . . . -2 THR HG2 . 18125 1 4 . 1 1 2 2 THR HG22 H 1 1.23 0.02 . 1 . . . . -2 THR HG2 . 18125 1 5 . 1 1 2 2 THR HG23 H 1 1.23 0.02 . 1 . . . . -2 THR HG2 . 18125 1 6 . 1 1 2 2 THR CA C 13 62.85 0.4 . 1 . . . . -2 THR CA . 18125 1 7 . 1 1 2 2 THR CB C 13 70.37 0.4 . 1 . . . . -2 THR CB . 18125 1 8 . 1 1 2 2 THR CG2 C 13 22.45 0.4 . 1 . . . . -2 THR CG2 . 18125 1 9 . 1 1 3 3 VAL H H 1 8 0.02 . 1 . . . . -1 VAL H . 18125 1 10 . 1 1 3 3 VAL HA H 1 4.18 0.02 . 1 . . . . -1 VAL HA . 18125 1 11 . 1 1 3 3 VAL HB H 1 2.1 0.02 . 1 . . . . -1 VAL HB . 18125 1 12 . 1 1 3 3 VAL HG11 H 1 0.96 0.02 . 2 . . . . -1 VAL HG1 . 18125 1 13 . 1 1 3 3 VAL HG12 H 1 0.96 0.02 . 2 . . . . -1 VAL HG1 . 18125 1 14 . 1 1 3 3 VAL HG13 H 1 0.96 0.02 . 2 . . . . -1 VAL HG1 . 18125 1 15 . 1 1 3 3 VAL HG21 H 1 0.96 0.02 . 2 . . . . -1 VAL HG2 . 18125 1 16 . 1 1 3 3 VAL HG22 H 1 0.96 0.02 . 2 . . . . -1 VAL HG2 . 18125 1 17 . 1 1 3 3 VAL HG23 H 1 0.96 0.02 . 2 . . . . -1 VAL HG2 . 18125 1 18 . 1 1 3 3 VAL CA C 13 62.52 0.4 . 1 . . . . -1 VAL CA . 18125 1 19 . 1 1 3 3 VAL CB C 13 33.7 0.4 . 1 . . . . -1 VAL CB . 18125 1 20 . 1 1 3 3 VAL CG1 C 13 21.95 0.4 . 1 . . . . -1 VAL CG1 . 18125 1 21 . 1 1 3 3 VAL CG2 C 13 21.33 0.4 . 1 . . . . -1 VAL CG2 . 18125 1 22 . 1 1 3 3 VAL N N 15 122.03 0.4 . 1 . . . . -1 VAL N . 18125 1 23 . 1 1 4 4 ALA H H 1 8.21 0.02 . 1 . . . . 1 ALA H . 18125 1 24 . 1 1 4 4 ALA HA H 1 4.38 0.02 . 1 . . . . 1 ALA HA . 18125 1 25 . 1 1 4 4 ALA HB1 H 1 1.39 0.02 . 1 . . . . 1 ALA HB . 18125 1 26 . 1 1 4 4 ALA HB2 H 1 1.39 0.02 . 1 . . . . 1 ALA HB . 18125 1 27 . 1 1 4 4 ALA HB3 H 1 1.39 0.02 . 1 . . . . 1 ALA HB . 18125 1 28 . 1 1 4 4 ALA CA C 13 53.17 0.4 . 1 . . . . 1 ALA CA . 18125 1 29 . 1 1 4 4 ALA CB C 13 20.09 0.4 . 1 . . . . 1 ALA CB . 18125 1 30 . 1 1 4 4 ALA N N 15 127.6 0.4 . 1 . . . . 1 ALA N . 18125 1 31 . 1 1 5 5 ARG H H 1 8 0.02 . 1 . . . . 2 ARG H . 18125 1 32 . 1 1 5 5 ARG HA H 1 4.4 0.02 . 1 . . . . 2 ARG HA . 18125 1 33 . 1 1 5 5 ARG HB2 H 1 1.85 0.02 . 2 . . . . 2 ARG HB2 . 18125 1 34 . 1 1 5 5 ARG HB3 H 1 1.76 0.02 . 2 . . . . 2 ARG HB3 . 18125 1 35 . 1 1 5 5 ARG HD2 H 1 3.21 0.02 . 2 . . . . 2 ARG HD2 . 18125 1 36 . 1 1 5 5 ARG HD3 H 1 3.21 0.02 . 2 . . . . 2 ARG HD3 . 18125 1 37 . 1 1 5 5 ARG CA C 13 56.46 0.4 . 1 . . . . 2 ARG CA . 18125 1 38 . 1 1 5 5 ARG N N 15 120.07 0.4 . 1 . . . . 2 ARG N . 18125 1 39 . 1 1 6 6 LYS H H 1 8.1 0.02 . 1 . . . . 3 LYS H . 18125 1 40 . 1 1 6 6 LYS HA H 1 4.59 0.02 . 1 . . . . 3 LYS HA . 18125 1 41 . 1 1 6 6 LYS HB2 H 1 1.8 0.02 . 2 . . . . 3 LYS HB2 . 18125 1 42 . 1 1 6 6 LYS HB3 H 1 1.8 0.02 . 2 . . . . 3 LYS HB3 . 18125 1 43 . 1 1 6 6 LYS HG2 H 1 1.49 0.02 . 2 . . . . 3 LYS HG2 . 18125 1 44 . 1 1 6 6 LYS HG3 H 1 1.36 0.02 . 2 . . . . 3 LYS HG3 . 18125 1 45 . 1 1 6 6 LYS HD2 H 1 1.69 0.02 . 2 . . . . 3 LYS HD2 . 18125 1 46 . 1 1 6 6 LYS HD3 H 1 1.69 0.02 . 2 . . . . 3 LYS HD3 . 18125 1 47 . 1 1 6 6 LYS HE2 H 1 3.01 0.02 . 2 . . . . 3 LYS HE2 . 18125 1 48 . 1 1 6 6 LYS HE3 H 1 3.01 0.02 . 2 . . . . 3 LYS HE3 . 18125 1 49 . 1 1 6 6 LYS CA C 13 56.21 0.4 . 1 . . . . 3 LYS CA . 18125 1 50 . 1 1 6 6 LYS CB C 13 35.16 0.4 . 1 . . . . 3 LYS CB . 18125 1 51 . 1 1 6 6 LYS CG C 13 25.7 0.4 . 1 . . . . 3 LYS CG . 18125 1 52 . 1 1 6 6 LYS CD C 13 29.89 0.4 . 1 . . . . 3 LYS CD . 18125 1 53 . 1 1 6 6 LYS N N 15 120.5 0.4 . 1 . . . . 3 LYS N . 18125 1 54 . 1 1 7 7 CYS H H 1 9.25 0.02 . 1 . . . . 4 CYS H . 18125 1 55 . 1 1 7 7 CYS HA H 1 4.64 0.02 . 1 . . . . 4 CYS HA . 18125 1 56 . 1 1 7 7 CYS HB2 H 1 3.31 0.02 . 2 . . . . 4 CYS HB2 . 18125 1 57 . 1 1 7 7 CYS HB3 H 1 2.83 0.02 . 2 . . . . 4 CYS HB3 . 18125 1 58 . 1 1 7 7 CYS CA C 13 57.26 0.4 . 1 . . . . 4 CYS CA . 18125 1 59 . 1 1 7 7 CYS CB C 13 41.95 0.4 . 1 . . . . 4 CYS CB . 18125 1 60 . 1 1 7 7 CYS N N 15 121.99 0.4 . 1 . . . . 4 CYS N . 18125 1 61 . 1 1 8 8 SER H H 1 8.19 0.02 . 1 . . . . 5 SER H . 18125 1 62 . 1 1 8 8 SER HA H 1 4.67 0.02 . 1 . . . . 5 SER HA . 18125 1 63 . 1 1 8 8 SER HB2 H 1 3.77 0.02 . 2 . . . . 5 SER HB2 . 18125 1 64 . 1 1 8 8 SER HB3 H 1 3.77 0.02 . 2 . . . . 5 SER HB3 . 18125 1 65 . 1 1 8 8 SER CA C 13 57.3 0.4 . 1 . . . . 5 SER CA . 18125 1 66 . 1 1 8 8 SER CB C 13 65.43 0.4 . 1 . . . . 5 SER CB . 18125 1 67 . 1 1 8 8 SER N N 15 118.51 0.4 . 1 . . . . 5 SER N . 18125 1 68 . 1 1 9 9 LEU H H 1 8.14 0.02 . 1 . . . . 6 LEU H . 18125 1 69 . 1 1 9 9 LEU HA H 1 3.82 0.02 . 1 . . . . 6 LEU HA . 18125 1 70 . 1 1 9 9 LEU HB2 H 1 0.81 0.02 . 2 . . . . 6 LEU HB2 . 18125 1 71 . 1 1 9 9 LEU HB3 H 1 0.66 0.02 . 2 . . . . 6 LEU HB3 . 18125 1 72 . 1 1 9 9 LEU HG H 1 0.73 0.02 . 1 . . . . 6 LEU HG . 18125 1 73 . 1 1 9 9 LEU HD11 H 1 -0.35 0.02 . 2 . . . . 6 LEU HD1 . 18125 1 74 . 1 1 9 9 LEU HD12 H 1 -0.35 0.02 . 2 . . . . 6 LEU HD1 . 18125 1 75 . 1 1 9 9 LEU HD13 H 1 -0.35 0.02 . 2 . . . . 6 LEU HD1 . 18125 1 76 . 1 1 9 9 LEU HD21 H 1 -0.48 0.02 . 2 . . . . 6 LEU HD2 . 18125 1 77 . 1 1 9 9 LEU HD22 H 1 -0.48 0.02 . 2 . . . . 6 LEU HD2 . 18125 1 78 . 1 1 9 9 LEU HD23 H 1 -0.48 0.02 . 2 . . . . 6 LEU HD2 . 18125 1 79 . 1 1 9 9 LEU CA C 13 57.36 0.4 . 1 . . . . 6 LEU CA . 18125 1 80 . 1 1 9 9 LEU CB C 13 41.83 0.4 . 1 . . . . 6 LEU CB . 18125 1 81 . 1 1 9 9 LEU CG C 13 29.2 0.4 . 1 . . . . 6 LEU CG . 18125 1 82 . 1 1 9 9 LEU CD1 C 13 24.8 0.4 . 1 . . . . 6 LEU CD1 . 18125 1 83 . 1 1 9 9 LEU CD2 C 13 23.53 0.4 . 1 . . . . 6 LEU CD2 . 18125 1 84 . 1 1 9 9 LEU N N 15 123.6 0.4 . 1 . . . . 6 LEU N . 18125 1 85 . 1 1 10 10 THR H H 1 6.91 0.02 . 1 . . . . 7 THR H . 18125 1 86 . 1 1 10 10 THR HA H 1 3.57 0.02 . 1 . . . . 7 THR HA . 18125 1 87 . 1 1 10 10 THR HB H 1 3.67 0.02 . 1 . . . . 7 THR HB . 18125 1 88 . 1 1 10 10 THR HG21 H 1 1.12 0.02 . 1 . . . . 7 THR HG2 . 18125 1 89 . 1 1 10 10 THR HG22 H 1 1.12 0.02 . 1 . . . . 7 THR HG2 . 18125 1 90 . 1 1 10 10 THR HG23 H 1 1.12 0.02 . 1 . . . . 7 THR HG2 . 18125 1 91 . 1 1 10 10 THR CA C 13 65.42 0.4 . 1 . . . . 7 THR CA . 18125 1 92 . 1 1 10 10 THR CB C 13 70.68 0.4 . 1 . . . . 7 THR CB . 18125 1 93 . 1 1 10 10 THR CG2 C 13 21.93 0.4 . 1 . . . . 7 THR CG2 . 18125 1 94 . 1 1 10 10 THR N N 15 112.08 0.4 . 1 . . . . 7 THR N . 18125 1 95 . 1 1 11 11 GLY H H 1 9.04 0.02 . 1 . . . . 8 GLY H . 18125 1 96 . 1 1 11 11 GLY HA2 H 1 4.2 0.02 . 2 . . . . 8 GLY HA2 . 18125 1 97 . 1 1 11 11 GLY HA3 H 1 3.7 0.02 . 2 . . . . 8 GLY HA3 . 18125 1 98 . 1 1 11 11 GLY CA C 13 44.31 0.4 . 1 . . . . 8 GLY CA . 18125 1 99 . 1 1 11 11 GLY N N 15 115.02 0.4 . 1 . . . . 8 GLY N . 18125 1 100 . 1 1 12 12 LYS H H 1 7.93 0.02 . 1 . . . . 9 LYS H . 18125 1 101 . 1 1 12 12 LYS HA H 1 5.21 0.02 . 1 . . . . 9 LYS HA . 18125 1 102 . 1 1 12 12 LYS HB2 H 1 1.72 0.02 . 2 . . . . 9 LYS HB2 . 18125 1 103 . 1 1 12 12 LYS HB3 H 1 1.59 0.02 . 2 . . . . 9 LYS HB3 . 18125 1 104 . 1 1 12 12 LYS HG2 H 1 1.43 0.02 . 2 . . . . 9 LYS HG2 . 18125 1 105 . 1 1 12 12 LYS HG3 H 1 1.43 0.02 . 2 . . . . 9 LYS HG3 . 18125 1 106 . 1 1 12 12 LYS HD2 H 1 1.57 0.02 . 2 . . . . 9 LYS HD2 . 18125 1 107 . 1 1 12 12 LYS HD3 H 1 1.57 0.02 . 2 . . . . 9 LYS HD3 . 18125 1 108 . 1 1 12 12 LYS HE2 H 1 2.85 0.02 . 2 . . . . 9 LYS HE2 . 18125 1 109 . 1 1 12 12 LYS HE3 H 1 2.85 0.02 . 2 . . . . 9 LYS HE3 . 18125 1 110 . 1 1 12 12 LYS CA C 13 56.53 0.4 . 1 . . . . 9 LYS CA . 18125 1 111 . 1 1 12 12 LYS CB C 13 36.03 0.4 . 1 . . . . 9 LYS CB . 18125 1 112 . 1 1 12 12 LYS CG C 13 26.24 0.4 . 1 . . . . 9 LYS CG . 18125 1 113 . 1 1 12 12 LYS CD C 13 30.15 0.4 . 1 . . . . 9 LYS CD . 18125 1 114 . 1 1 12 12 LYS CE C 13 42.46 0.4 . 1 . . . . 9 LYS CE . 18125 1 115 . 1 1 12 12 LYS N N 15 119.11 0.4 . 1 . . . . 9 LYS N . 18125 1 116 . 1 1 13 13 TRP H H 1 9.01 0.02 . 1 . . . . 10 TRP H . 18125 1 117 . 1 1 13 13 TRP HA H 1 5.24 0.02 . 1 . . . . 10 TRP HA . 18125 1 118 . 1 1 13 13 TRP HB2 H 1 3.4 0.02 . 2 . . . . 10 TRP HB2 . 18125 1 119 . 1 1 13 13 TRP HB3 H 1 2.66 0.02 . 2 . . . . 10 TRP HB3 . 18125 1 120 . 1 1 13 13 TRP HD1 H 1 6.57 0.02 . 1 . . . . 10 TRP HD1 . 18125 1 121 . 1 1 13 13 TRP HE1 H 1 10.08 0.02 . 1 . . . . 10 TRP HE1 . 18125 1 122 . 1 1 13 13 TRP HE3 H 1 7 0.02 . 1 . . . . 10 TRP HE3 . 18125 1 123 . 1 1 13 13 TRP HZ2 H 1 7.44 0.02 . 1 . . . . 10 TRP HZ2 . 18125 1 124 . 1 1 13 13 TRP HZ3 H 1 6.76 0.02 . 1 . . . . 10 TRP HZ3 . 18125 1 125 . 1 1 13 13 TRP HH2 H 1 6.73 0.02 . 1 . . . . 10 TRP HH2 . 18125 1 126 . 1 1 13 13 TRP CA C 13 56.42 0.4 . 1 . . . . 10 TRP CA . 18125 1 127 . 1 1 13 13 TRP CB C 13 35.92 0.4 . 1 . . . . 10 TRP CB . 18125 1 128 . 1 1 13 13 TRP CD1 C 13 127.61 0.4 . 1 . . . . 10 TRP CD1 . 18125 1 129 . 1 1 13 13 TRP CE3 C 13 119.2 0.4 . 1 . . . . 10 TRP CE3 . 18125 1 130 . 1 1 13 13 TRP CZ2 C 13 115.13 0.4 . 1 . . . . 10 TRP CZ2 . 18125 1 131 . 1 1 13 13 TRP CZ3 C 13 121.91 0.4 . 1 . . . . 10 TRP CZ3 . 18125 1 132 . 1 1 13 13 TRP CH2 C 13 124.61 0.4 . 1 . . . . 10 TRP CH2 . 18125 1 133 . 1 1 13 13 TRP N N 15 122.05 0.4 . 1 . . . . 10 TRP N . 18125 1 134 . 1 1 13 13 TRP NE1 N 15 129.49 0.4 . 1 . . . . 10 TRP NE1 . 18125 1 135 . 1 1 14 14 THR H H 1 9.49 0.02 . 1 . . . . 11 THR H . 18125 1 136 . 1 1 14 14 THR HA H 1 5.77 0.02 . 1 . . . . 11 THR HA . 18125 1 137 . 1 1 14 14 THR HB H 1 4.02 0.02 . 1 . . . . 11 THR HB . 18125 1 138 . 1 1 14 14 THR HG21 H 1 1.17 0.02 . 1 . . . . 11 THR HG2 . 18125 1 139 . 1 1 14 14 THR HG22 H 1 1.17 0.02 . 1 . . . . 11 THR HG2 . 18125 1 140 . 1 1 14 14 THR HG23 H 1 1.17 0.02 . 1 . . . . 11 THR HG2 . 18125 1 141 . 1 1 14 14 THR CA C 13 59.88 0.4 . 1 . . . . 11 THR CA . 18125 1 142 . 1 1 14 14 THR CB C 13 71.94 0.4 . 1 . . . . 11 THR CB . 18125 1 143 . 1 1 14 14 THR CG2 C 13 20.26 0.4 . 1 . . . . 11 THR CG2 . 18125 1 144 . 1 1 14 14 THR N N 15 116.08 0.4 . 1 . . . . 11 THR N . 18125 1 145 . 1 1 15 15 ASN H H 1 8.24 0.02 . 1 . . . . 12 ASN H . 18125 1 146 . 1 1 15 15 ASN HA H 1 6.04 0.02 . 1 . . . . 12 ASN HA . 18125 1 147 . 1 1 15 15 ASN HB2 H 1 2.36 0.02 . 2 . . . . 12 ASN HB2 . 18125 1 148 . 1 1 15 15 ASN HB3 H 1 1.03 0.02 . 2 . . . . 12 ASN HB3 . 18125 1 149 . 1 1 15 15 ASN CA C 13 50.3 0.4 . 1 . . . . 12 ASN CA . 18125 1 150 . 1 1 15 15 ASN CB C 13 39.83 0.4 . 1 . . . . 12 ASN CB . 18125 1 151 . 1 1 15 15 ASN N N 15 120.06 0.4 . 1 . . . . 12 ASN N . 18125 1 152 . 1 1 16 16 ASP H H 1 9.09 0.02 . 1 . . . . 13 ASP H . 18125 1 153 . 1 1 16 16 ASP HA H 1 4.42 0.02 . 1 . . . . 13 ASP HA . 18125 1 154 . 1 1 16 16 ASP HB2 H 1 2.79 0.02 . 2 . . . . 13 ASP HB2 . 18125 1 155 . 1 1 16 16 ASP HB3 H 1 2.79 0.02 . 2 . . . . 13 ASP HB3 . 18125 1 156 . 1 1 16 16 ASP CA C 13 56.51 0.4 . 1 . . . . 13 ASP CA . 18125 1 157 . 1 1 16 16 ASP CB C 13 41.19 0.4 . 1 . . . . 13 ASP CB . 18125 1 158 . 1 1 16 16 ASP N N 15 115.77 0.4 . 1 . . . . 13 ASP N . 18125 1 159 . 1 1 17 17 LEU H H 1 7.55 0.02 . 1 . . . . 14 LEU H . 18125 1 160 . 1 1 17 17 LEU HA H 1 4.46 0.02 . 1 . . . . 14 LEU HA . 18125 1 161 . 1 1 17 17 LEU HB2 H 1 1.59 0.02 . 2 . . . . 14 LEU HB2 . 18125 1 162 . 1 1 17 17 LEU HB3 H 1 1.41 0.02 . 2 . . . . 14 LEU HB3 . 18125 1 163 . 1 1 17 17 LEU HG H 1 1.37 0.02 . 1 . . . . 14 LEU HG . 18125 1 164 . 1 1 17 17 LEU HD11 H 1 0.91 0.02 . 2 . . . . 14 LEU HD1 . 18125 1 165 . 1 1 17 17 LEU HD12 H 1 0.91 0.02 . 2 . . . . 14 LEU HD1 . 18125 1 166 . 1 1 17 17 LEU HD13 H 1 0.91 0.02 . 2 . . . . 14 LEU HD1 . 18125 1 167 . 1 1 17 17 LEU HD21 H 1 0.63 0.02 . 2 . . . . 14 LEU HD2 . 18125 1 168 . 1 1 17 17 LEU HD22 H 1 0.63 0.02 . 2 . . . . 14 LEU HD2 . 18125 1 169 . 1 1 17 17 LEU HD23 H 1 0.63 0.02 . 2 . . . . 14 LEU HD2 . 18125 1 170 . 1 1 17 17 LEU CA C 13 54.98 0.4 . 1 . . . . 14 LEU CA . 18125 1 171 . 1 1 17 17 LEU CB C 13 43.63 0.4 . 1 . . . . 14 LEU CB . 18125 1 172 . 1 1 17 17 LEU CG C 13 26.76 0.4 . 1 . . . . 14 LEU CG . 18125 1 173 . 1 1 17 17 LEU CD1 C 13 23.05 0.4 . 1 . . . . 14 LEU CD1 . 18125 1 174 . 1 1 17 17 LEU CD2 C 13 25.22 0.4 . 1 . . . . 14 LEU CD2 . 18125 1 175 . 1 1 17 17 LEU N N 15 117.23 0.4 . 1 . . . . 14 LEU N . 18125 1 176 . 1 1 18 18 GLY H H 1 8.06 0.02 . 1 . . . . 15 GLY H . 18125 1 177 . 1 1 18 18 GLY HA2 H 1 4.26 0.02 . 2 . . . . 15 GLY HA2 . 18125 1 178 . 1 1 18 18 GLY HA3 H 1 3.61 0.02 . 2 . . . . 15 GLY HA3 . 18125 1 179 . 1 1 18 18 GLY CA C 13 45.05 0.4 . 1 . . . . 15 GLY CA . 18125 1 180 . 1 1 18 18 GLY N N 15 104.81 0.4 . 1 . . . . 15 GLY N . 18125 1 181 . 1 1 19 19 SER H H 1 7.33 0.02 . 1 . . . . 16 SER H . 18125 1 182 . 1 1 19 19 SER HA H 1 4.56 0.02 . 1 . . . . 16 SER HA . 18125 1 183 . 1 1 19 19 SER HB2 H 1 4.03 0.02 . 2 . . . . 16 SER HB2 . 18125 1 184 . 1 1 19 19 SER HB3 H 1 3.63 0.02 . 2 . . . . 16 SER HB3 . 18125 1 185 . 1 1 19 19 SER CA C 13 58.52 0.4 . 1 . . . . 16 SER CA . 18125 1 186 . 1 1 19 19 SER CB C 13 62.73 0.4 . 1 . . . . 16 SER CB . 18125 1 187 . 1 1 19 19 SER N N 15 117.33 0.4 . 1 . . . . 16 SER N . 18125 1 188 . 1 1 20 20 ASN H H 1 8.46 0.02 . 1 . . . . 17 ASN H . 18125 1 189 . 1 1 20 20 ASN HA H 1 5.7 0.02 . 1 . . . . 17 ASN HA . 18125 1 190 . 1 1 20 20 ASN HB2 H 1 2.67 0.02 . 2 . . . . 17 ASN HB2 . 18125 1 191 . 1 1 20 20 ASN HB3 H 1 2.52 0.02 . 2 . . . . 17 ASN HB3 . 18125 1 192 . 1 1 20 20 ASN CA C 13 52.6 0.4 . 1 . . . . 17 ASN CA . 18125 1 193 . 1 1 20 20 ASN CB C 13 43.46 0.4 . 1 . . . . 17 ASN CB . 18125 1 194 . 1 1 20 20 ASN N N 15 118.67 0.4 . 1 . . . . 17 ASN N . 18125 1 195 . 1 1 21 21 MET H H 1 8.84 0.02 . 1 . . . . 18 MET H . 18125 1 196 . 1 1 21 21 MET HA H 1 5.06 0.02 . 1 . . . . 18 MET HA . 18125 1 197 . 1 1 21 21 MET HB2 H 1 1.5 0.02 . 2 . . . . 18 MET HB2 . 18125 1 198 . 1 1 21 21 MET HB3 H 1 1.5 0.02 . 2 . . . . 18 MET HB3 . 18125 1 199 . 1 1 21 21 MET HG2 H 1 1.94 0.02 . 2 . . . . 18 MET HG2 . 18125 1 200 . 1 1 21 21 MET HG3 H 1 1.94 0.02 . 2 . . . . 18 MET HG3 . 18125 1 201 . 1 1 21 21 MET HE1 H 1 0.31 0.02 . 1 . . . . 18 MET HE . 18125 1 202 . 1 1 21 21 MET HE2 H 1 0.31 0.02 . 1 . . . . 18 MET HE . 18125 1 203 . 1 1 21 21 MET HE3 H 1 0.31 0.02 . 1 . . . . 18 MET HE . 18125 1 204 . 1 1 21 21 MET CA C 13 54.93 0.4 . 1 . . . . 18 MET CA . 18125 1 205 . 1 1 21 21 MET CB C 13 36.84 0.4 . 1 . . . . 18 MET CB . 18125 1 206 . 1 1 21 21 MET CG C 13 32.18 0.4 . 1 . . . . 18 MET CG . 18125 1 207 . 1 1 21 21 MET CE C 13 16.12 0.4 . 1 . . . . 18 MET CE . 18125 1 208 . 1 1 21 21 MET N N 15 118.22 0.4 . 1 . . . . 18 MET N . 18125 1 209 . 1 1 22 22 THR H H 1 8.72 0.02 . 1 . . . . 19 THR H . 18125 1 210 . 1 1 22 22 THR HA H 1 5 0.02 . 1 . . . . 19 THR HA . 18125 1 211 . 1 1 22 22 THR HB H 1 3.93 0.02 . 1 . . . . 19 THR HB . 18125 1 212 . 1 1 22 22 THR HG21 H 1 1.03 0.02 . 1 . . . . 19 THR HG2 . 18125 1 213 . 1 1 22 22 THR HG22 H 1 1.03 0.02 . 1 . . . . 19 THR HG2 . 18125 1 214 . 1 1 22 22 THR HG23 H 1 1.03 0.02 . 1 . . . . 19 THR HG2 . 18125 1 215 . 1 1 22 22 THR CA C 13 62.02 0.4 . 1 . . . . 19 THR CA . 18125 1 216 . 1 1 22 22 THR CB C 13 71.22 0.4 . 1 . . . . 19 THR CB . 18125 1 217 . 1 1 22 22 THR CG2 C 13 22.07 0.4 . 1 . . . . 19 THR CG2 . 18125 1 218 . 1 1 22 22 THR N N 15 120.42 0.4 . 1 . . . . 19 THR N . 18125 1 219 . 1 1 23 23 ILE H H 1 9.26 0.02 . 1 . . . . 20 ILE H . 18125 1 220 . 1 1 23 23 ILE HA H 1 4.37 0.02 . 1 . . . . 20 ILE HA . 18125 1 221 . 1 1 23 23 ILE HB H 1 2.05 0.02 . 1 . . . . 20 ILE HB . 18125 1 222 . 1 1 23 23 ILE HG12 H 1 1.01 0.02 . 2 . . . . 20 ILE HG12 . 18125 1 223 . 1 1 23 23 ILE HG13 H 1 0.64 0.02 . 2 . . . . 20 ILE HG13 . 18125 1 224 . 1 1 23 23 ILE HG21 H 1 0.44 0.02 . 1 . . . . 20 ILE HG2 . 18125 1 225 . 1 1 23 23 ILE HG22 H 1 0.44 0.02 . 1 . . . . 20 ILE HG2 . 18125 1 226 . 1 1 23 23 ILE HG23 H 1 0.44 0.02 . 1 . . . . 20 ILE HG2 . 18125 1 227 . 1 1 23 23 ILE HD11 H 1 -0.04 0.02 . 1 . . . . 20 ILE HD1 . 18125 1 228 . 1 1 23 23 ILE HD12 H 1 -0.04 0.02 . 1 . . . . 20 ILE HD1 . 18125 1 229 . 1 1 23 23 ILE HD13 H 1 -0.04 0.02 . 1 . . . . 20 ILE HD1 . 18125 1 230 . 1 1 23 23 ILE CA C 13 60.88 0.4 . 1 . . . . 20 ILE CA . 18125 1 231 . 1 1 23 23 ILE CB C 13 38.99 0.4 . 1 . . . . 20 ILE CB . 18125 1 232 . 1 1 23 23 ILE CG1 C 13 29.44 0.4 . 1 . . . . 20 ILE CG1 . 18125 1 233 . 1 1 23 23 ILE CG2 C 13 17.74 0.4 . 1 . . . . 20 ILE CG2 . 18125 1 234 . 1 1 23 23 ILE CD1 C 13 12.32 0.4 . 1 . . . . 20 ILE CD1 . 18125 1 235 . 1 1 23 23 ILE N N 15 127.47 0.4 . 1 . . . . 20 ILE N . 18125 1 236 . 1 1 24 24 GLY H H 1 8.62 0.02 . 1 . . . . 21 GLY H . 18125 1 237 . 1 1 24 24 GLY HA2 H 1 4.29 0.02 . 2 . . . . 21 GLY HA2 . 18125 1 238 . 1 1 24 24 GLY HA3 H 1 3.87 0.02 . 2 . . . . 21 GLY HA3 . 18125 1 239 . 1 1 24 24 GLY CA C 13 45.22 0.4 . 1 . . . . 21 GLY CA . 18125 1 240 . 1 1 24 24 GLY N N 15 115.57 0.4 . 1 . . . . 21 GLY N . 18125 1 241 . 1 1 25 25 ALA H H 1 7.97 0.02 . 1 . . . . 22 ALA H . 18125 1 242 . 1 1 25 25 ALA HA H 1 4.1 0.02 . 1 . . . . 22 ALA HA . 18125 1 243 . 1 1 25 25 ALA HB1 H 1 1.33 0.02 . 1 . . . . 22 ALA HB . 18125 1 244 . 1 1 25 25 ALA HB2 H 1 1.33 0.02 . 1 . . . . 22 ALA HB . 18125 1 245 . 1 1 25 25 ALA HB3 H 1 1.33 0.02 . 1 . . . . 22 ALA HB . 18125 1 246 . 1 1 25 25 ALA CA C 13 53.4 0.4 . 1 . . . . 22 ALA CA . 18125 1 247 . 1 1 25 25 ALA CB C 13 19.48 0.4 . 1 . . . . 22 ALA CB . 18125 1 248 . 1 1 25 25 ALA N N 15 120.64 0.4 . 1 . . . . 22 ALA N . 18125 1 249 . 1 1 26 26 VAL H H 1 7.91 0.02 . 1 . . . . 23 VAL H . 18125 1 250 . 1 1 26 26 VAL HA H 1 4.53 0.02 . 1 . . . . 23 VAL HA . 18125 1 251 . 1 1 26 26 VAL HB H 1 1.92 0.02 . 1 . . . . 23 VAL HB . 18125 1 252 . 1 1 26 26 VAL HG11 H 1 1.07 0.02 . 2 . . . . 23 VAL HG1 . 18125 1 253 . 1 1 26 26 VAL HG12 H 1 1.07 0.02 . 2 . . . . 23 VAL HG1 . 18125 1 254 . 1 1 26 26 VAL HG13 H 1 1.07 0.02 . 2 . . . . 23 VAL HG1 . 18125 1 255 . 1 1 26 26 VAL HG21 H 1 0.9 0.02 . 2 . . . . 23 VAL HG2 . 18125 1 256 . 1 1 26 26 VAL HG22 H 1 0.9 0.02 . 2 . . . . 23 VAL HG2 . 18125 1 257 . 1 1 26 26 VAL HG23 H 1 0.9 0.02 . 2 . . . . 23 VAL HG2 . 18125 1 258 . 1 1 26 26 VAL CA C 13 62.19 0.4 . 1 . . . . 23 VAL CA . 18125 1 259 . 1 1 26 26 VAL CB C 13 33.14 0.4 . 1 . . . . 23 VAL CB . 18125 1 260 . 1 1 26 26 VAL CG1 C 13 22.3 0.4 . 1 . . . . 23 VAL CG1 . 18125 1 261 . 1 1 26 26 VAL CG2 C 13 21.04 0.4 . 1 . . . . 23 VAL CG2 . 18125 1 262 . 1 1 26 26 VAL N N 15 123.59 0.4 . 1 . . . . 23 VAL N . 18125 1 263 . 1 1 27 27 ASN H H 1 8.52 0.02 . 1 . . . . 24 ASN H . 18125 1 264 . 1 1 27 27 ASN HA H 1 4.86 0.02 . 1 . . . . 24 ASN HA . 18125 1 265 . 1 1 27 27 ASN HB2 H 1 3.7 0.02 . 2 . . . . 24 ASN HB2 . 18125 1 266 . 1 1 27 27 ASN HB3 H 1 3.19 0.02 . 2 . . . . 24 ASN HB3 . 18125 1 267 . 1 1 27 27 ASN CA C 13 52.53 0.4 . 1 . . . . 24 ASN CA . 18125 1 268 . 1 1 27 27 ASN CB C 13 39.01 0.4 . 1 . . . . 24 ASN CB . 18125 1 269 . 1 1 27 27 ASN N N 15 126.06 0.4 . 1 . . . . 24 ASN N . 18125 1 270 . 1 1 28 28 SER HA H 1 4.14 0.02 . 1 . . . . 25 SER HA . 18125 1 271 . 1 1 28 28 SER CA C 13 62.75 0.4 . 1 . . . . 25 SER CA . 18125 1 272 . 1 1 29 29 ARG H H 1 7.57 0.02 . 1 . . . . 26 ARG H . 18125 1 273 . 1 1 29 29 ARG HA H 1 4.51 0.02 . 1 . . . . 26 ARG HA . 18125 1 274 . 1 1 29 29 ARG HB2 H 1 2.09 0.02 . 2 . . . . 26 ARG HB2 . 18125 1 275 . 1 1 29 29 ARG HB3 H 1 1.72 0.02 . 2 . . . . 26 ARG HB3 . 18125 1 276 . 1 1 29 29 ARG HG2 H 1 1.62 0.02 . 2 . . . . 26 ARG HG2 . 18125 1 277 . 1 1 29 29 ARG HG3 H 1 1.62 0.02 . 2 . . . . 26 ARG HG3 . 18125 1 278 . 1 1 29 29 ARG HD2 H 1 3.32 0.02 . 2 . . . . 26 ARG HD2 . 18125 1 279 . 1 1 29 29 ARG HD3 H 1 3.24 0.02 . 2 . . . . 26 ARG HD3 . 18125 1 280 . 1 1 29 29 ARG CA C 13 56.83 0.4 . 1 . . . . 26 ARG CA . 18125 1 281 . 1 1 29 29 ARG CB C 13 31.92 0.4 . 1 . . . . 26 ARG CB . 18125 1 282 . 1 1 29 29 ARG CG C 13 28.66 0.4 . 1 . . . . 26 ARG CG . 18125 1 283 . 1 1 29 29 ARG CD C 13 44 0.4 . 1 . . . . 26 ARG CD . 18125 1 284 . 1 1 29 29 ARG N N 15 119 0.4 . 1 . . . . 26 ARG N . 18125 1 285 . 1 1 30 30 GLY H H 1 8.24 0.02 . 1 . . . . 27 GLY H . 18125 1 286 . 1 1 30 30 GLY HA2 H 1 4.83 0.02 . 2 . . . . 27 GLY HA2 . 18125 1 287 . 1 1 30 30 GLY HA3 H 1 3.37 0.02 . 2 . . . . 27 GLY HA3 . 18125 1 288 . 1 1 30 30 GLY CA C 13 45.93 0.4 . 1 . . . . 27 GLY CA . 18125 1 289 . 1 1 30 30 GLY N N 15 107.01 0.4 . 1 . . . . 27 GLY N . 18125 1 290 . 1 1 31 31 GLU H H 1 7.84 0.02 . 1 . . . . 28 GLU H . 18125 1 291 . 1 1 31 31 GLU HA H 1 4.75 0.02 . 1 . . . . 28 GLU HA . 18125 1 292 . 1 1 31 31 GLU HB2 H 1 2.11 0.02 . 2 . . . . 28 GLU HB2 . 18125 1 293 . 1 1 31 31 GLU HB3 H 1 1.77 0.02 . 2 . . . . 28 GLU HB3 . 18125 1 294 . 1 1 31 31 GLU HG2 H 1 2.17 0.02 . 2 . . . . 28 GLU HG2 . 18125 1 295 . 1 1 31 31 GLU HG3 H 1 2.17 0.02 . 2 . . . . 28 GLU HG3 . 18125 1 296 . 1 1 31 31 GLU CA C 13 55.5 0.4 . 1 . . . . 28 GLU CA . 18125 1 297 . 1 1 31 31 GLU CB C 13 30.4 0.4 . 1 . . . . 28 GLU CB . 18125 1 298 . 1 1 31 31 GLU CG C 13 37.09 0.4 . 1 . . . . 28 GLU CG . 18125 1 299 . 1 1 31 31 GLU N N 15 120.13 0.4 . 1 . . . . 28 GLU N . 18125 1 300 . 1 1 32 32 PHE H H 1 7.97 0.02 . 1 . . . . 29 PHE H . 18125 1 301 . 1 1 32 32 PHE HA H 1 5.16 0.02 . 1 . . . . 29 PHE HA . 18125 1 302 . 1 1 32 32 PHE HB2 H 1 2.85 0.02 . 2 . . . . 29 PHE HB2 . 18125 1 303 . 1 1 32 32 PHE HB3 H 1 2.85 0.02 . 2 . . . . 29 PHE HB3 . 18125 1 304 . 1 1 32 32 PHE HD1 H 1 6.74 0.02 . 1 . . . . 29 PHE HD1 . 18125 1 305 . 1 1 32 32 PHE HD2 H 1 6.74 0.02 . 1 . . . . 29 PHE HD2 . 18125 1 306 . 1 1 32 32 PHE HE1 H 1 6.61 0.02 . 1 . . . . 29 PHE HE1 . 18125 1 307 . 1 1 32 32 PHE HE2 H 1 6.61 0.02 . 1 . . . . 29 PHE HE2 . 18125 1 308 . 1 1 32 32 PHE HZ H 1 6.62 0.02 . 1 . . . . 29 PHE HZ . 18125 1 309 . 1 1 32 32 PHE CA C 13 56.34 0.4 . 1 . . . . 29 PHE CA . 18125 1 310 . 1 1 32 32 PHE CB C 13 42.67 0.4 . 1 . . . . 29 PHE CB . 18125 1 311 . 1 1 32 32 PHE CD1 C 13 134.01 0.4 . 1 . . . . 29 PHE CD1 . 18125 1 312 . 1 1 32 32 PHE CE1 C 13 129.58 0.4 . 1 . . . . 29 PHE CE1 . 18125 1 313 . 1 1 32 32 PHE CZ C 13 129.55 0.4 . 1 . . . . 29 PHE CZ . 18125 1 314 . 1 1 32 32 PHE N N 15 115.71 0.4 . 1 . . . . 29 PHE N . 18125 1 315 . 1 1 33 33 THR H H 1 8.57 0.02 . 1 . . . . 30 THR H . 18125 1 316 . 1 1 33 33 THR HA H 1 5.08 0.02 . 1 . . . . 30 THR HA . 18125 1 317 . 1 1 33 33 THR HB H 1 4.37 0.02 . 1 . . . . 30 THR HB . 18125 1 318 . 1 1 33 33 THR HG21 H 1 1.25 0.02 . 1 . . . . 30 THR HG2 . 18125 1 319 . 1 1 33 33 THR HG22 H 1 1.25 0.02 . 1 . . . . 30 THR HG2 . 18125 1 320 . 1 1 33 33 THR HG23 H 1 1.25 0.02 . 1 . . . . 30 THR HG2 . 18125 1 321 . 1 1 33 33 THR CA C 13 59.59 0.4 . 1 . . . . 30 THR CA . 18125 1 322 . 1 1 33 33 THR CB C 13 72.55 0.4 . 1 . . . . 30 THR CB . 18125 1 323 . 1 1 33 33 THR CG2 C 13 21.96 0.4 . 1 . . . . 30 THR CG2 . 18125 1 324 . 1 1 33 33 THR N N 15 111.67 0.4 . 1 . . . . 30 THR N . 18125 1 325 . 1 1 34 34 GLY H H 1 7.79 0.02 . 1 . . . . 31 GLY H . 18125 1 326 . 1 1 34 34 GLY HA2 H 1 4.5 0.02 . 2 . . . . 31 GLY HA2 . 18125 1 327 . 1 1 34 34 GLY HA3 H 1 4.39 0.02 . 2 . . . . 31 GLY HA3 . 18125 1 328 . 1 1 34 34 GLY CA C 13 46.97 0.4 . 1 . . . . 31 GLY CA . 18125 1 329 . 1 1 34 34 GLY N N 15 105.85 0.4 . 1 . . . . 31 GLY N . 18125 1 330 . 1 1 35 35 THR H H 1 8.99 0.02 . 1 . . . . 32 THR H . 18125 1 331 . 1 1 35 35 THR HA H 1 5.09 0.02 . 1 . . . . 32 THR HA . 18125 1 332 . 1 1 35 35 THR HB H 1 3.95 0.02 . 1 . . . . 32 THR HB . 18125 1 333 . 1 1 35 35 THR HG21 H 1 1.18 0.02 . 1 . . . . 32 THR HG2 . 18125 1 334 . 1 1 35 35 THR HG22 H 1 1.18 0.02 . 1 . . . . 32 THR HG2 . 18125 1 335 . 1 1 35 35 THR HG23 H 1 1.18 0.02 . 1 . . . . 32 THR HG2 . 18125 1 336 . 1 1 35 35 THR CA C 13 61.04 0.4 . 1 . . . . 32 THR CA . 18125 1 337 . 1 1 35 35 THR CB C 13 73.08 0.4 . 1 . . . . 32 THR CB . 18125 1 338 . 1 1 35 35 THR CG2 C 13 23.14 0.4 . 1 . . . . 32 THR CG2 . 18125 1 339 . 1 1 35 35 THR N N 15 113.03 0.4 . 1 . . . . 32 THR N . 18125 1 340 . 1 1 36 36 TYR H H 1 9.78 0.02 . 1 . . . . 33 TYR H . 18125 1 341 . 1 1 36 36 TYR HA H 1 4.73 0.02 . 1 . . . . 33 TYR HA . 18125 1 342 . 1 1 36 36 TYR HB2 H 1 3.09 0.02 . 2 . . . . 33 TYR HB2 . 18125 1 343 . 1 1 36 36 TYR HB3 H 1 2.26 0.02 . 2 . . . . 33 TYR HB3 . 18125 1 344 . 1 1 36 36 TYR HD1 H 1 6.81 0.02 . 1 . . . . 33 TYR HD1 . 18125 1 345 . 1 1 36 36 TYR HD2 H 1 6.81 0.02 . 1 . . . . 33 TYR HD2 . 18125 1 346 . 1 1 36 36 TYR HE1 H 1 6.59 0.02 . 1 . . . . 33 TYR HE1 . 18125 1 347 . 1 1 36 36 TYR HE2 H 1 6.59 0.02 . 1 . . . . 33 TYR HE2 . 18125 1 348 . 1 1 36 36 TYR CA C 13 58.2 0.4 . 1 . . . . 33 TYR CA . 18125 1 349 . 1 1 36 36 TYR CB C 13 45.36 0.4 . 1 . . . . 33 TYR CB . 18125 1 350 . 1 1 36 36 TYR CD1 C 13 133.44 0.4 . 1 . . . . 33 TYR CD1 . 18125 1 351 . 1 1 36 36 TYR CD2 C 13 133.1 0.4 . 1 . . . . 33 TYR CD2 . 18125 1 352 . 1 1 36 36 TYR CE1 C 13 117.69 0.4 . 1 . . . . 33 TYR CE1 . 18125 1 353 . 1 1 36 36 TYR N N 15 126.15 0.4 . 1 . . . . 33 TYR N . 18125 1 354 . 1 1 37 37 ILE H H 1 9.37 0.02 . 1 . . . . 34 ILE H . 18125 1 355 . 1 1 37 37 ILE HA H 1 4.86 0.02 . 1 . . . . 34 ILE HA . 18125 1 356 . 1 1 37 37 ILE HB H 1 1.89 0.02 . 1 . . . . 34 ILE HB . 18125 1 357 . 1 1 37 37 ILE HG12 H 1 1.43 0.02 . 2 . . . . 34 ILE HG12 . 18125 1 358 . 1 1 37 37 ILE HG13 H 1 1.1 0.02 . 2 . . . . 34 ILE HG13 . 18125 1 359 . 1 1 37 37 ILE HG21 H 1 0.9 0.02 . 1 . . . . 34 ILE HG2 . 18125 1 360 . 1 1 37 37 ILE HG22 H 1 0.9 0.02 . 1 . . . . 34 ILE HG2 . 18125 1 361 . 1 1 37 37 ILE HG23 H 1 0.9 0.02 . 1 . . . . 34 ILE HG2 . 18125 1 362 . 1 1 37 37 ILE HD11 H 1 0.91 0.02 . 1 . . . . 34 ILE HD1 . 18125 1 363 . 1 1 37 37 ILE HD12 H 1 0.91 0.02 . 1 . . . . 34 ILE HD1 . 18125 1 364 . 1 1 37 37 ILE HD13 H 1 0.91 0.02 . 1 . . . . 34 ILE HD1 . 18125 1 365 . 1 1 37 37 ILE CA C 13 60.44 0.4 . 1 . . . . 34 ILE CA . 18125 1 366 . 1 1 37 37 ILE CB C 13 40.03 0.4 . 1 . . . . 34 ILE CB . 18125 1 367 . 1 1 37 37 ILE CG1 C 13 28.96 0.4 . 1 . . . . 34 ILE CG1 . 18125 1 368 . 1 1 37 37 ILE CG2 C 13 18.73 0.4 . 1 . . . . 34 ILE CG2 . 18125 1 369 . 1 1 37 37 ILE CD1 C 13 14.49 0.4 . 1 . . . . 34 ILE CD1 . 18125 1 370 . 1 1 37 37 ILE N N 15 131.89 0.4 . 1 . . . . 34 ILE N . 18125 1 371 . 1 1 38 38 THR H H 1 8.16 0.02 . 1 . . . . 35 THR H . 18125 1 372 . 1 1 38 38 THR HA H 1 5.14 0.02 . 1 . . . . 35 THR HA . 18125 1 373 . 1 1 38 38 THR HB H 1 4.54 0.02 . 1 . . . . 35 THR HB . 18125 1 374 . 1 1 38 38 THR HG21 H 1 1.39 0.02 . 1 . . . . 35 THR HG2 . 18125 1 375 . 1 1 38 38 THR HG22 H 1 1.39 0.02 . 1 . . . . 35 THR HG2 . 18125 1 376 . 1 1 38 38 THR HG23 H 1 1.39 0.02 . 1 . . . . 35 THR HG2 . 18125 1 377 . 1 1 38 38 THR CA C 13 59.47 0.4 . 1 . . . . 35 THR CA . 18125 1 378 . 1 1 38 38 THR CB C 13 70.8 0.4 . 1 . . . . 35 THR CB . 18125 1 379 . 1 1 38 38 THR CG2 C 13 20.82 0.4 . 1 . . . . 35 THR CG2 . 18125 1 380 . 1 1 38 38 THR N N 15 120.56 0.4 . 1 . . . . 35 THR N . 18125 1 381 . 1 1 39 39 ALA H H 1 8.29 0.02 . 1 . . . . 36 ALA H . 18125 1 382 . 1 1 39 39 ALA HA H 1 4.27 0.02 . 1 . . . . 36 ALA HA . 18125 1 383 . 1 1 39 39 ALA HB1 H 1 1.2 0.02 . 1 . . . . 36 ALA HB . 18125 1 384 . 1 1 39 39 ALA HB2 H 1 1.2 0.02 . 1 . . . . 36 ALA HB . 18125 1 385 . 1 1 39 39 ALA HB3 H 1 1.2 0.02 . 1 . . . . 36 ALA HB . 18125 1 386 . 1 1 39 39 ALA CA C 13 53.4 0.4 . 1 . . . . 36 ALA CA . 18125 1 387 . 1 1 39 39 ALA CB C 13 21.13 0.4 . 1 . . . . 36 ALA CB . 18125 1 388 . 1 1 39 39 ALA N N 15 129.46 0.4 . 1 . . . . 36 ALA N . 18125 1 389 . 1 1 40 40 VAL H H 1 7.07 0.02 . 1 . . . . 37 VAL H . 18125 1 390 . 1 1 40 40 VAL HA H 1 4.61 0.02 . 1 . . . . 37 VAL HA . 18125 1 391 . 1 1 40 40 VAL HB H 1 1.9 0.02 . 1 . . . . 37 VAL HB . 18125 1 392 . 1 1 40 40 VAL HG11 H 1 0.72 0.02 . 2 . . . . 37 VAL HG1 . 18125 1 393 . 1 1 40 40 VAL HG12 H 1 0.72 0.02 . 2 . . . . 37 VAL HG1 . 18125 1 394 . 1 1 40 40 VAL HG13 H 1 0.72 0.02 . 2 . . . . 37 VAL HG1 . 18125 1 395 . 1 1 40 40 VAL HG21 H 1 -0.78 0.02 . 2 . . . . 37 VAL HG2 . 18125 1 396 . 1 1 40 40 VAL HG22 H 1 -0.78 0.02 . 2 . . . . 37 VAL HG2 . 18125 1 397 . 1 1 40 40 VAL HG23 H 1 -0.78 0.02 . 2 . . . . 37 VAL HG2 . 18125 1 398 . 1 1 40 40 VAL CA C 13 58.45 0.4 . 1 . . . . 37 VAL CA . 18125 1 399 . 1 1 40 40 VAL CB C 13 36.18 0.4 . 1 . . . . 37 VAL CB . 18125 1 400 . 1 1 40 40 VAL CG1 C 13 22.44 0.4 . 1 . . . . 37 VAL CG1 . 18125 1 401 . 1 1 40 40 VAL CG2 C 13 17.61 0.4 . 1 . . . . 37 VAL CG2 . 18125 1 402 . 1 1 40 40 VAL N N 15 105.3 0.4 . 1 . . . . 37 VAL N . 18125 1 403 . 1 1 41 41 ALA H H 1 8.35 0.02 . 1 . . . . 38 ALA H . 18125 1 404 . 1 1 41 41 ALA HA H 1 4.45 0.02 . 1 . . . . 38 ALA HA . 18125 1 405 . 1 1 41 41 ALA HB1 H 1 1.24 0.02 . 1 . . . . 38 ALA HB . 18125 1 406 . 1 1 41 41 ALA HB2 H 1 1.24 0.02 . 1 . . . . 38 ALA HB . 18125 1 407 . 1 1 41 41 ALA HB3 H 1 1.24 0.02 . 1 . . . . 38 ALA HB . 18125 1 408 . 1 1 41 41 ALA CA C 13 52.64 0.4 . 1 . . . . 38 ALA CA . 18125 1 409 . 1 1 41 41 ALA CB C 13 24 0.4 . 1 . . . . 38 ALA CB . 18125 1 410 . 1 1 41 41 ALA N N 15 120.5 0.4 . 1 . . . . 38 ALA N . 18125 1 411 . 1 1 42 42 ASP H H 1 9.54 0.02 . 1 . . . . 39 ASP H . 18125 1 412 . 1 1 42 42 ASP HA H 1 4.58 0.02 . 1 . . . . 39 ASP HA . 18125 1 413 . 1 1 42 42 ASP HB2 H 1 2.81 0.02 . 2 . . . . 39 ASP HB2 . 18125 1 414 . 1 1 42 42 ASP HB3 H 1 2.64 0.02 . 2 . . . . 39 ASP HB3 . 18125 1 415 . 1 1 42 42 ASP CA C 13 58.64 0.4 . 1 . . . . 39 ASP CA . 18125 1 416 . 1 1 42 42 ASP CB C 13 40.65 0.4 . 1 . . . . 39 ASP CB . 18125 1 417 . 1 1 42 42 ASP N N 15 121.14 0.4 . 1 . . . . 39 ASP N . 18125 1 418 . 1 1 43 43 ASN H H 1 8.15 0.02 . 1 . . . . 40 ASN H . 18125 1 419 . 1 1 43 43 ASN HA H 1 5.19 0.02 . 1 . . . . 40 ASN HA . 18125 1 420 . 1 1 43 43 ASN HB2 H 1 2.88 0.02 . 2 . . . . 40 ASN HB2 . 18125 1 421 . 1 1 43 43 ASN HB3 H 1 2.72 0.02 . 2 . . . . 40 ASN HB3 . 18125 1 422 . 1 1 43 43 ASN CA C 13 50.84 0.4 . 1 . . . . 40 ASN CA . 18125 1 423 . 1 1 43 43 ASN CB C 13 39.65 0.4 . 1 . . . . 40 ASN CB . 18125 1 424 . 1 1 43 43 ASN N N 15 115.39 0.4 . 1 . . . . 40 ASN N . 18125 1 425 . 1 1 44 44 PRO HA H 1 4.04 0.02 . 1 . . . . 41 PRO HA . 18125 1 426 . 1 1 44 44 PRO HB2 H 1 2.26 0.02 . 2 . . . . 41 PRO HB2 . 18125 1 427 . 1 1 44 44 PRO HB3 H 1 2.05 0.02 . 2 . . . . 41 PRO HB3 . 18125 1 428 . 1 1 44 44 PRO HG2 H 1 2.13 0.02 . 2 . . . . 41 PRO HG2 . 18125 1 429 . 1 1 44 44 PRO HG3 H 1 2.07 0.02 . 2 . . . . 41 PRO HG3 . 18125 1 430 . 1 1 44 44 PRO HD2 H 1 3.81 0.02 . 2 . . . . 41 PRO HD2 . 18125 1 431 . 1 1 44 44 PRO HD3 H 1 3.68 0.02 . 2 . . . . 41 PRO HD3 . 18125 1 432 . 1 1 44 44 PRO CA C 13 64.65 0.4 . 1 . . . . 41 PRO CA . 18125 1 433 . 1 1 44 44 PRO CB C 13 32.64 0.4 . 1 . . . . 41 PRO CB . 18125 1 434 . 1 1 44 44 PRO CG C 13 27.85 0.4 . 1 . . . . 41 PRO CG . 18125 1 435 . 1 1 44 44 PRO CD C 13 51.31 0.4 . 1 . . . . 41 PRO CD . 18125 1 436 . 1 1 45 45 GLY H H 1 8.26 0.02 . 1 . . . . 42 GLY H . 18125 1 437 . 1 1 45 45 GLY HA2 H 1 4 0.02 . 2 . . . . 42 GLY HA2 . 18125 1 438 . 1 1 45 45 GLY HA3 H 1 3.85 0.02 . 2 . . . . 42 GLY HA3 . 18125 1 439 . 1 1 45 45 GLY CA C 13 46.84 0.4 . 1 . . . . 42 GLY CA . 18125 1 440 . 1 1 45 45 GLY N N 15 106.08 0.4 . 1 . . . . 42 GLY N . 18125 1 441 . 1 1 46 46 ASN H H 1 7.51 0.02 . 1 . . . . 43 ASN H . 18125 1 442 . 1 1 46 46 ASN HA H 1 4.79 0.02 . 1 . . . . 43 ASN HA . 18125 1 443 . 1 1 46 46 ASN HB2 H 1 3.03 0.02 . 2 . . . . 43 ASN HB2 . 18125 1 444 . 1 1 46 46 ASN HB3 H 1 2.68 0.02 . 2 . . . . 43 ASN HB3 . 18125 1 445 . 1 1 46 46 ASN CA C 13 52.64 0.4 . 1 . . . . 43 ASN CA . 18125 1 446 . 1 1 46 46 ASN CB C 13 40.02 0.4 . 1 . . . . 43 ASN CB . 18125 1 447 . 1 1 46 46 ASN N N 15 116.23 0.4 . 1 . . . . 43 ASN N . 18125 1 448 . 1 1 47 47 ILE H H 1 6.81 0.02 . 1 . . . . 44 ILE H . 18125 1 449 . 1 1 47 47 ILE HA H 1 1.45 0.02 . 1 . . . . 44 ILE HA . 18125 1 450 . 1 1 47 47 ILE HB H 1 1.28 0.02 . 1 . . . . 44 ILE HB . 18125 1 451 . 1 1 47 47 ILE HG12 H 1 1.11 0.02 . 2 . . . . 44 ILE HG12 . 18125 1 452 . 1 1 47 47 ILE HG13 H 1 0.11 0.02 . 2 . . . . 44 ILE HG13 . 18125 1 453 . 1 1 47 47 ILE HG21 H 1 0.73 0.02 . 1 . . . . 44 ILE HG2 . 18125 1 454 . 1 1 47 47 ILE HG22 H 1 0.73 0.02 . 1 . . . . 44 ILE HG2 . 18125 1 455 . 1 1 47 47 ILE HG23 H 1 0.73 0.02 . 1 . . . . 44 ILE HG2 . 18125 1 456 . 1 1 47 47 ILE HD11 H 1 0.55 0.02 . 1 . . . . 44 ILE HD1 . 18125 1 457 . 1 1 47 47 ILE HD12 H 1 0.55 0.02 . 1 . . . . 44 ILE HD1 . 18125 1 458 . 1 1 47 47 ILE HD13 H 1 0.55 0.02 . 1 . . . . 44 ILE HD1 . 18125 1 459 . 1 1 47 47 ILE CA C 13 64.61 0.4 . 1 . . . . 44 ILE CA . 18125 1 460 . 1 1 47 47 ILE CB C 13 39.19 0.4 . 1 . . . . 44 ILE CB . 18125 1 461 . 1 1 47 47 ILE CG1 C 13 29.64 0.4 . 1 . . . . 44 ILE CG1 . 18125 1 462 . 1 1 47 47 ILE CG2 C 13 18.25 0.4 . 1 . . . . 44 ILE CG2 . 18125 1 463 . 1 1 47 47 ILE CD1 C 13 13.77 0.4 . 1 . . . . 44 ILE CD1 . 18125 1 464 . 1 1 47 47 ILE N N 15 118.58 0.4 . 1 . . . . 44 ILE N . 18125 1 465 . 1 1 48 48 THR H H 1 6.54 0.02 . 1 . . . . 45 THR H . 18125 1 466 . 1 1 48 48 THR HA H 1 4.64 0.02 . 1 . . . . 45 THR HA . 18125 1 467 . 1 1 48 48 THR HB H 1 4.32 0.02 . 1 . . . . 45 THR HB . 18125 1 468 . 1 1 48 48 THR HG21 H 1 1.33 0.02 . 1 . . . . 45 THR HG2 . 18125 1 469 . 1 1 48 48 THR HG22 H 1 1.33 0.02 . 1 . . . . 45 THR HG2 . 18125 1 470 . 1 1 48 48 THR HG23 H 1 1.33 0.02 . 1 . . . . 45 THR HG2 . 18125 1 471 . 1 1 48 48 THR CA C 13 60.42 0.4 . 1 . . . . 45 THR CA . 18125 1 472 . 1 1 48 48 THR CB C 13 72.53 0.4 . 1 . . . . 45 THR CB . 18125 1 473 . 1 1 48 48 THR CG2 C 13 21.44 0.4 . 1 . . . . 45 THR CG2 . 18125 1 474 . 1 1 48 48 THR N N 15 118.04 0.4 . 1 . . . . 45 THR N . 18125 1 475 . 1 1 49 49 LEU HA H 1 4.23 0.02 . 1 . . . . 46 LEU HA . 18125 1 476 . 1 1 49 49 LEU HB2 H 1 1.79 0.02 . 2 . . . . 46 LEU HB2 . 18125 1 477 . 1 1 49 49 LEU HB3 H 1 1.79 0.02 . 2 . . . . 46 LEU HB3 . 18125 1 478 . 1 1 49 49 LEU HG H 1 1.63 0.02 . 1 . . . . 46 LEU HG . 18125 1 479 . 1 1 49 49 LEU HD11 H 1 0.98 0.02 . 2 . . . . 46 LEU HD1 . 18125 1 480 . 1 1 49 49 LEU HD12 H 1 0.98 0.02 . 2 . . . . 46 LEU HD1 . 18125 1 481 . 1 1 49 49 LEU HD13 H 1 0.98 0.02 . 2 . . . . 46 LEU HD1 . 18125 1 482 . 1 1 49 49 LEU HD21 H 1 0.96 0.02 . 2 . . . . 46 LEU HD2 . 18125 1 483 . 1 1 49 49 LEU HD22 H 1 0.96 0.02 . 2 . . . . 46 LEU HD2 . 18125 1 484 . 1 1 49 49 LEU HD23 H 1 0.96 0.02 . 2 . . . . 46 LEU HD2 . 18125 1 485 . 1 1 49 49 LEU CA C 13 58.67 0.4 . 1 . . . . 46 LEU CA . 18125 1 486 . 1 1 49 49 LEU CB C 13 43.69 0.4 . 1 . . . . 46 LEU CB . 18125 1 487 . 1 1 49 49 LEU CG C 13 28.11 0.4 . 1 . . . . 46 LEU CG . 18125 1 488 . 1 1 49 49 LEU CD1 C 13 26.03 0.4 . 1 . . . . 46 LEU CD1 . 18125 1 489 . 1 1 49 49 LEU CD2 C 13 26.03 0.4 . 1 . . . . 46 LEU CD2 . 18125 1 490 . 1 1 50 50 SER H H 1 8.38 0.02 . 1 . . . . 47 SER H . 18125 1 491 . 1 1 50 50 SER HA H 1 5.54 0.02 . 1 . . . . 47 SER HA . 18125 1 492 . 1 1 50 50 SER HB2 H 1 4.3 0.02 . 2 . . . . 47 SER HB2 . 18125 1 493 . 1 1 50 50 SER HB3 H 1 3.71 0.02 . 2 . . . . 47 SER HB3 . 18125 1 494 . 1 1 50 50 SER CA C 13 57.37 0.4 . 1 . . . . 47 SER CA . 18125 1 495 . 1 1 50 50 SER CB C 13 67.13 0.4 . 1 . . . . 47 SER CB . 18125 1 496 . 1 1 50 50 SER N N 15 119.45 0.4 . 1 . . . . 47 SER N . 18125 1 497 . 1 1 51 51 PRO HA H 1 5.06 0.02 . 1 . . . . 48 PRO HA . 18125 1 498 . 1 1 51 51 PRO HB2 H 1 2.32 0.02 . 2 . . . . 48 PRO HB2 . 18125 1 499 . 1 1 51 51 PRO HB3 H 1 2.1 0.02 . 2 . . . . 48 PRO HB3 . 18125 1 500 . 1 1 51 51 PRO HG2 H 1 2.27 0.02 . 2 . . . . 48 PRO HG2 . 18125 1 501 . 1 1 51 51 PRO HG3 H 1 2.18 0.02 . 2 . . . . 48 PRO HG3 . 18125 1 502 . 1 1 51 51 PRO HD2 H 1 4.49 0.02 . 2 . . . . 48 PRO HD2 . 18125 1 503 . 1 1 51 51 PRO HD3 H 1 3.81 0.02 . 2 . . . . 48 PRO HD3 . 18125 1 504 . 1 1 51 51 PRO CA C 13 63.37 0.4 . 1 . . . . 48 PRO CA . 18125 1 505 . 1 1 51 51 PRO CB C 13 34.26 0.4 . 1 . . . . 48 PRO CB . 18125 1 506 . 1 1 51 51 PRO CG C 13 27.86 0.4 . 1 . . . . 48 PRO CG . 18125 1 507 . 1 1 51 51 PRO CD C 13 51.17 0.4 . 1 . . . . 48 PRO CD . 18125 1 508 . 1 1 52 52 LEU H H 1 7.73 0.02 . 1 . . . . 49 LEU H . 18125 1 509 . 1 1 52 52 LEU HA H 1 5.61 0.02 . 1 . . . . 49 LEU HA . 18125 1 510 . 1 1 52 52 LEU HB2 H 1 1.46 0.02 . 2 . . . . 49 LEU HB2 . 18125 1 511 . 1 1 52 52 LEU HB3 H 1 1.2 0.02 . 2 . . . . 49 LEU HB3 . 18125 1 512 . 1 1 52 52 LEU HG H 1 1.1 0.02 . 1 . . . . 49 LEU HG . 18125 1 513 . 1 1 52 52 LEU HD11 H 1 0.34 0.02 . 2 . . . . 49 LEU HD1 . 18125 1 514 . 1 1 52 52 LEU HD12 H 1 0.34 0.02 . 2 . . . . 49 LEU HD1 . 18125 1 515 . 1 1 52 52 LEU HD13 H 1 0.34 0.02 . 2 . . . . 49 LEU HD1 . 18125 1 516 . 1 1 52 52 LEU HD21 H 1 0.22 0.02 . 2 . . . . 49 LEU HD2 . 18125 1 517 . 1 1 52 52 LEU HD22 H 1 0.22 0.02 . 2 . . . . 49 LEU HD2 . 18125 1 518 . 1 1 52 52 LEU HD23 H 1 0.22 0.02 . 2 . . . . 49 LEU HD2 . 18125 1 519 . 1 1 52 52 LEU CA C 13 52.94 0.4 . 1 . . . . 49 LEU CA . 18125 1 520 . 1 1 52 52 LEU CB C 13 48.38 0.4 . 1 . . . . 49 LEU CB . 18125 1 521 . 1 1 52 52 LEU CG C 13 26.01 0.4 . 1 . . . . 49 LEU CG . 18125 1 522 . 1 1 52 52 LEU CD1 C 13 29.4 0.4 . 1 . . . . 49 LEU CD1 . 18125 1 523 . 1 1 52 52 LEU CD2 C 13 25.09 0.4 . 1 . . . . 49 LEU CD2 . 18125 1 524 . 1 1 52 52 LEU N N 15 113.7 0.4 . 1 . . . . 49 LEU N . 18125 1 525 . 1 1 53 53 LEU H H 1 8.13 0.02 . 1 . . . . 50 LEU H . 18125 1 526 . 1 1 53 53 LEU HA H 1 5.01 0.02 . 1 . . . . 50 LEU HA . 18125 1 527 . 1 1 53 53 LEU HB2 H 1 1.51 0.02 . 2 . . . . 50 LEU HB2 . 18125 1 528 . 1 1 53 53 LEU HB3 H 1 1.36 0.02 . 2 . . . . 50 LEU HB3 . 18125 1 529 . 1 1 53 53 LEU HG H 1 1.26 0.02 . 1 . . . . 50 LEU HG . 18125 1 530 . 1 1 53 53 LEU HD11 H 1 0.71 0.02 . 2 . . . . 50 LEU HD1 . 18125 1 531 . 1 1 53 53 LEU HD12 H 1 0.71 0.02 . 2 . . . . 50 LEU HD1 . 18125 1 532 . 1 1 53 53 LEU HD13 H 1 0.71 0.02 . 2 . . . . 50 LEU HD1 . 18125 1 533 . 1 1 53 53 LEU HD21 H 1 0.82 0.02 . 2 . . . . 50 LEU HD2 . 18125 1 534 . 1 1 53 53 LEU HD22 H 1 0.82 0.02 . 2 . . . . 50 LEU HD2 . 18125 1 535 . 1 1 53 53 LEU HD23 H 1 0.82 0.02 . 2 . . . . 50 LEU HD2 . 18125 1 536 . 1 1 53 53 LEU CA C 13 55.54 0.4 . 1 . . . . 50 LEU CA . 18125 1 537 . 1 1 53 53 LEU CB C 13 47.89 0.4 . 1 . . . . 50 LEU CB . 18125 1 538 . 1 1 53 53 LEU CG C 13 28.29 0.4 . 1 . . . . 50 LEU CG . 18125 1 539 . 1 1 53 53 LEU CD1 C 13 26.94 0.4 . 1 . . . . 50 LEU CD1 . 18125 1 540 . 1 1 53 53 LEU CD2 C 13 24.77 0.4 . 1 . . . . 50 LEU CD2 . 18125 1 541 . 1 1 53 53 LEU N N 15 120.53 0.4 . 1 . . . . 50 LEU N . 18125 1 542 . 1 1 54 54 GLY H H 1 8.53 0.02 . 1 . . . . 51 GLY H . 18125 1 543 . 1 1 54 54 GLY HA2 H 1 4.13 0.02 . 2 . . . . 51 GLY HA2 . 18125 1 544 . 1 1 54 54 GLY HA3 H 1 3.94 0.02 . 2 . . . . 51 GLY HA3 . 18125 1 545 . 1 1 54 54 GLY CA C 13 46.23 0.4 . 1 . . . . 51 GLY CA . 18125 1 546 . 1 1 54 54 GLY N N 15 116.48 0.4 . 1 . . . . 51 GLY N . 18125 1 547 . 1 1 55 55 ILE H H 1 8.03 0.02 . 1 . . . . 52 ILE H . 18125 1 548 . 1 1 55 55 ILE HA H 1 4.86 0.02 . 1 . . . . 52 ILE HA . 18125 1 549 . 1 1 55 55 ILE HB H 1 1.32 0.02 . 1 . . . . 52 ILE HB . 18125 1 550 . 1 1 55 55 ILE HG12 H 1 1.3 0.02 . 2 . . . . 52 ILE HG12 . 18125 1 551 . 1 1 55 55 ILE HG13 H 1 0.74 0.02 . 2 . . . . 52 ILE HG13 . 18125 1 552 . 1 1 55 55 ILE HG21 H 1 0.78 0.02 . 1 . . . . 52 ILE HG2 . 18125 1 553 . 1 1 55 55 ILE HG22 H 1 0.78 0.02 . 1 . . . . 52 ILE HG2 . 18125 1 554 . 1 1 55 55 ILE HG23 H 1 0.78 0.02 . 1 . . . . 52 ILE HG2 . 18125 1 555 . 1 1 55 55 ILE HD11 H 1 0.71 0.02 . 1 . . . . 52 ILE HD1 . 18125 1 556 . 1 1 55 55 ILE HD12 H 1 0.71 0.02 . 1 . . . . 52 ILE HD1 . 18125 1 557 . 1 1 55 55 ILE HD13 H 1 0.71 0.02 . 1 . . . . 52 ILE HD1 . 18125 1 558 . 1 1 55 55 ILE CA C 13 61.06 0.4 . 1 . . . . 52 ILE CA . 18125 1 559 . 1 1 55 55 ILE CB C 13 43.64 0.4 . 1 . . . . 52 ILE CB . 18125 1 560 . 1 1 55 55 ILE CG1 C 13 28.39 0.4 . 1 . . . . 52 ILE CG1 . 18125 1 561 . 1 1 55 55 ILE CG2 C 13 18.93 0.4 . 1 . . . . 52 ILE CG2 . 18125 1 562 . 1 1 55 55 ILE CD1 C 13 14.84 0.4 . 1 . . . . 52 ILE CD1 . 18125 1 563 . 1 1 55 55 ILE N N 15 112.97 0.4 . 1 . . . . 52 ILE N . 18125 1 564 . 1 1 56 56 GLN H H 1 9.67 0.02 . 1 . . . . 53 GLN H . 18125 1 565 . 1 1 56 56 GLN HA H 1 5.51 0.02 . 1 . . . . 53 GLN HA . 18125 1 566 . 1 1 56 56 GLN HB2 H 1 2.29 0.02 . 2 . . . . 53 GLN HB2 . 18125 1 567 . 1 1 56 56 GLN HB3 H 1 2.29 0.02 . 2 . . . . 53 GLN HB3 . 18125 1 568 . 1 1 56 56 GLN HG2 H 1 2.49 0.02 . 2 . . . . 53 GLN HG2 . 18125 1 569 . 1 1 56 56 GLN HG3 H 1 2.1 0.02 . 2 . . . . 53 GLN HG3 . 18125 1 570 . 1 1 56 56 GLN CA C 13 53.99 0.4 . 1 . . . . 53 GLN CA . 18125 1 571 . 1 1 56 56 GLN CB C 13 36.03 0.4 . 1 . . . . 53 GLN CB . 18125 1 572 . 1 1 56 56 GLN CG C 13 35.03 0.4 . 1 . . . . 53 GLN CG . 18125 1 573 . 1 1 56 56 GLN N N 15 125.79 0.4 . 1 . . . . 53 GLN N . 18125 1 574 . 1 1 57 57 HIS H H 1 7.61 0.02 . 1 . . . . 54 HIS H . 18125 1 575 . 1 1 57 57 HIS HA H 1 4.57 0.02 . 1 . . . . 54 HIS HA . 18125 1 576 . 1 1 57 57 HIS HB2 H 1 3.56 0.02 . 2 . . . . 54 HIS HB2 . 18125 1 577 . 1 1 57 57 HIS HB3 H 1 3.22 0.02 . 2 . . . . 54 HIS HB3 . 18125 1 578 . 1 1 57 57 HIS HD2 H 1 7.15 0.02 . 1 . . . . 54 HIS HD2 . 18125 1 579 . 1 1 57 57 HIS HE1 H 1 8.97 0.02 . 1 . . . . 54 HIS HE1 . 18125 1 580 . 1 1 57 57 HIS CA C 13 58.74 0.4 . 1 . . . . 54 HIS CA . 18125 1 581 . 1 1 57 57 HIS CB C 13 31.74 0.4 . 1 . . . . 54 HIS CB . 18125 1 582 . 1 1 57 57 HIS CD2 C 13 119.81 0.4 . 1 . . . . 54 HIS CD2 . 18125 1 583 . 1 1 57 57 HIS CE1 C 13 141.24 0.4 . 1 . . . . 54 HIS CE1 . 18125 1 584 . 1 1 57 57 HIS N N 15 118.99 0.4 . 1 . . . . 54 HIS N . 18125 1 585 . 1 1 58 58 LYS HA H 1 4.29 0.02 . 1 . . . . 57 LYS HA . 18125 1 586 . 1 1 58 58 LYS HG2 H 1 1.38 0.02 . 2 . . . . 57 LYS HG2 . 18125 1 587 . 1 1 58 58 LYS HG3 H 1 1.38 0.02 . 2 . . . . 57 LYS HG3 . 18125 1 588 . 1 1 58 58 LYS HE2 H 1 3 0.02 . 2 . . . . 57 LYS HE2 . 18125 1 589 . 1 1 58 58 LYS HE3 H 1 3 0.02 . 2 . . . . 57 LYS HE3 . 18125 1 590 . 1 1 58 58 LYS CA C 13 61.67 0.4 . 1 . . . . 57 LYS CA . 18125 1 591 . 1 1 59 59 ARG HA H 1 4.27 0.02 . 1 . . . . 58 ARG HA . 18125 1 592 . 1 1 59 59 ARG HB2 H 1 2.03 0.02 . 2 . . . . 58 ARG HB2 . 18125 1 593 . 1 1 59 59 ARG HB3 H 1 1.97 0.02 . 2 . . . . 58 ARG HB3 . 18125 1 594 . 1 1 59 59 ARG HG2 H 1 1.73 0.02 . 2 . . . . 58 ARG HG2 . 18125 1 595 . 1 1 59 59 ARG HG3 H 1 1.69 0.02 . 2 . . . . 58 ARG HG3 . 18125 1 596 . 1 1 59 59 ARG HD2 H 1 3.29 0.02 . 2 . . . . 58 ARG HD2 . 18125 1 597 . 1 1 59 59 ARG HD3 H 1 3.29 0.02 . 2 . . . . 58 ARG HD3 . 18125 1 598 . 1 1 59 59 ARG CA C 13 58.32 0.4 . 1 . . . . 58 ARG CA . 18125 1 599 . 1 1 59 59 ARG CB C 13 30.83 0.4 . 1 . . . . 58 ARG CB . 18125 1 600 . 1 1 59 59 ARG CG C 13 28.26 0.4 . 1 . . . . 58 ARG CG . 18125 1 601 . 1 1 60 60 ALA H H 1 7.31 0.02 . 1 . . . . 59 ALA H . 18125 1 602 . 1 1 60 60 ALA HA H 1 4.43 0.02 . 1 . . . . 59 ALA HA . 18125 1 603 . 1 1 60 60 ALA HB1 H 1 1.39 0.02 . 1 . . . . 59 ALA HB . 18125 1 604 . 1 1 60 60 ALA HB2 H 1 1.39 0.02 . 1 . . . . 59 ALA HB . 18125 1 605 . 1 1 60 60 ALA HB3 H 1 1.39 0.02 . 1 . . . . 59 ALA HB . 18125 1 606 . 1 1 60 60 ALA CA C 13 52.7 0.4 . 1 . . . . 59 ALA CA . 18125 1 607 . 1 1 60 60 ALA CB C 13 21.1 0.4 . 1 . . . . 59 ALA CB . 18125 1 608 . 1 1 60 60 ALA N N 15 120.94 0.4 . 1 . . . . 59 ALA N . 18125 1 609 . 1 1 62 62 GLN H H 1 7.83 0.02 . 1 . . . . 61 GLN H . 18125 1 610 . 1 1 62 62 GLN HA H 1 5.17 0.02 . 1 . . . . 61 GLN HA . 18125 1 611 . 1 1 62 62 GLN HB2 H 1 2.33 0.02 . 2 . . . . 61 GLN HB2 . 18125 1 612 . 1 1 62 62 GLN HB3 H 1 2.1 0.02 . 2 . . . . 61 GLN HB3 . 18125 1 613 . 1 1 62 62 GLN HG2 H 1 2.59 0.02 . 2 . . . . 61 GLN HG2 . 18125 1 614 . 1 1 62 62 GLN HG3 H 1 2.29 0.02 . 2 . . . . 61 GLN HG3 . 18125 1 615 . 1 1 62 62 GLN CA C 13 54.78 0.4 . 1 . . . . 61 GLN CA . 18125 1 616 . 1 1 62 62 GLN CB C 13 31.11 0.4 . 1 . . . . 61 GLN CB . 18125 1 617 . 1 1 62 62 GLN CG C 13 36.89 0.4 . 1 . . . . 61 GLN CG . 18125 1 618 . 1 1 62 62 GLN N N 15 117.91 0.4 . 1 . . . . 61 GLN N . 18125 1 619 . 1 1 63 63 PRO HA H 1 4.44 0.02 . 1 . . . . 62 PRO HA . 18125 1 620 . 1 1 63 63 PRO HB2 H 1 2.47 0.02 . 2 . . . . 62 PRO HB2 . 18125 1 621 . 1 1 63 63 PRO HB3 H 1 2.31 0.02 . 2 . . . . 62 PRO HB3 . 18125 1 622 . 1 1 63 63 PRO HG2 H 1 2.22 0.02 . 2 . . . . 62 PRO HG2 . 18125 1 623 . 1 1 63 63 PRO HG3 H 1 1.95 0.02 . 2 . . . . 62 PRO HG3 . 18125 1 624 . 1 1 63 63 PRO HD2 H 1 3.82 0.02 . 2 . . . . 62 PRO HD2 . 18125 1 625 . 1 1 63 63 PRO HD3 H 1 3.58 0.02 . 2 . . . . 62 PRO HD3 . 18125 1 626 . 1 1 63 63 PRO CA C 13 64.06 0.4 . 1 . . . . 62 PRO CA . 18125 1 627 . 1 1 63 63 PRO CB C 13 34.7 0.4 . 1 . . . . 62 PRO CB . 18125 1 628 . 1 1 63 63 PRO CG C 13 27.19 0.4 . 1 . . . . 62 PRO CG . 18125 1 629 . 1 1 63 63 PRO CD C 13 51.93 0.4 . 1 . . . . 62 PRO CD . 18125 1 630 . 1 1 64 64 THR H H 1 8.48 0.02 . 1 . . . . 63 THR H . 18125 1 631 . 1 1 64 64 THR HA H 1 5.33 0.02 . 1 . . . . 63 THR HA . 18125 1 632 . 1 1 64 64 THR HB H 1 4.35 0.02 . 1 . . . . 63 THR HB . 18125 1 633 . 1 1 64 64 THR HG21 H 1 1.15 0.02 . 1 . . . . 63 THR HG2 . 18125 1 634 . 1 1 64 64 THR HG22 H 1 1.15 0.02 . 1 . . . . 63 THR HG2 . 18125 1 635 . 1 1 64 64 THR HG23 H 1 1.15 0.02 . 1 . . . . 63 THR HG2 . 18125 1 636 . 1 1 64 64 THR CA C 13 61.33 0.4 . 1 . . . . 63 THR CA . 18125 1 637 . 1 1 64 64 THR CB C 13 72.38 0.4 . 1 . . . . 63 THR CB . 18125 1 638 . 1 1 64 64 THR CG2 C 13 22.29 0.4 . 1 . . . . 63 THR CG2 . 18125 1 639 . 1 1 64 64 THR N N 15 108.98 0.4 . 1 . . . . 63 THR N . 18125 1 640 . 1 1 65 65 PHE H H 1 7.73 0.02 . 1 . . . . 64 PHE H . 18125 1 641 . 1 1 65 65 PHE HA H 1 5.56 0.02 . 1 . . . . 64 PHE HA . 18125 1 642 . 1 1 65 65 PHE HB2 H 1 3.13 0.02 . 2 . . . . 64 PHE HB2 . 18125 1 643 . 1 1 65 65 PHE HB3 H 1 3.08 0.02 . 2 . . . . 64 PHE HB3 . 18125 1 644 . 1 1 65 65 PHE HD1 H 1 6.82 0.02 . 1 . . . . 64 PHE HD1 . 18125 1 645 . 1 1 65 65 PHE HD2 H 1 6.82 0.02 . 1 . . . . 64 PHE HD2 . 18125 1 646 . 1 1 65 65 PHE HE1 H 1 6.72 0.02 . 1 . . . . 64 PHE HE1 . 18125 1 647 . 1 1 65 65 PHE HE2 H 1 6.72 0.02 . 1 . . . . 64 PHE HE2 . 18125 1 648 . 1 1 65 65 PHE CA C 13 57.26 0.4 . 1 . . . . 64 PHE CA . 18125 1 649 . 1 1 65 65 PHE CB C 13 43.65 0.4 . 1 . . . . 64 PHE CB . 18125 1 650 . 1 1 65 65 PHE CD1 C 13 132.97 0.4 . 1 . . . . 64 PHE CD1 . 18125 1 651 . 1 1 65 65 PHE CD2 C 13 132.75 0.4 . 1 . . . . 64 PHE CD2 . 18125 1 652 . 1 1 65 65 PHE CE1 C 13 129.91 0.4 . 1 . . . . 64 PHE CE1 . 18125 1 653 . 1 1 65 65 PHE CE2 C 13 129.75 0.4 . 1 . . . . 64 PHE CE2 . 18125 1 654 . 1 1 65 65 PHE N N 15 111.96 0.4 . 1 . . . . 64 PHE N . 18125 1 655 . 1 1 66 66 GLY H H 1 8.75 0.02 . 1 . . . . 65 GLY H . 18125 1 656 . 1 1 66 66 GLY HA2 H 1 5.28 0.02 . 2 . . . . 65 GLY HA2 . 18125 1 657 . 1 1 66 66 GLY HA3 H 1 3.72 0.02 . 2 . . . . 65 GLY HA3 . 18125 1 658 . 1 1 66 66 GLY CA C 13 46.18 0.4 . 1 . . . . 65 GLY CA . 18125 1 659 . 1 1 66 66 GLY N N 15 108.51 0.4 . 1 . . . . 65 GLY N . 18125 1 660 . 1 1 67 67 PHE H H 1 8.92 0.02 . 1 . . . . 66 PHE H . 18125 1 661 . 1 1 67 67 PHE HA H 1 5.07 0.02 . 1 . . . . 66 PHE HA . 18125 1 662 . 1 1 67 67 PHE HB2 H 1 3.32 0.02 . 2 . . . . 66 PHE HB2 . 18125 1 663 . 1 1 67 67 PHE HB3 H 1 2.58 0.02 . 2 . . . . 66 PHE HB3 . 18125 1 664 . 1 1 67 67 PHE HD1 H 1 6.72 0.02 . 1 . . . . 66 PHE HD1 . 18125 1 665 . 1 1 67 67 PHE HD2 H 1 6.72 0.02 . 1 . . . . 66 PHE HD2 . 18125 1 666 . 1 1 67 67 PHE HE1 H 1 6.39 0.02 . 1 . . . . 66 PHE HE1 . 18125 1 667 . 1 1 67 67 PHE HE2 H 1 6.39 0.02 . 1 . . . . 66 PHE HE2 . 18125 1 668 . 1 1 67 67 PHE HZ H 1 5.94 0.02 . 1 . . . . 66 PHE HZ . 18125 1 669 . 1 1 67 67 PHE CA C 13 58.08 0.4 . 1 . . . . 66 PHE CA . 18125 1 670 . 1 1 67 67 PHE CB C 13 42.23 0.4 . 1 . . . . 66 PHE CB . 18125 1 671 . 1 1 67 67 PHE CD1 C 13 132.11 0.4 . 1 . . . . 66 PHE CD1 . 18125 1 672 . 1 1 67 67 PHE CD2 C 13 132.05 0.4 . 1 . . . . 66 PHE CD2 . 18125 1 673 . 1 1 67 67 PHE CE1 C 13 131.18 0.4 . 1 . . . . 66 PHE CE1 . 18125 1 674 . 1 1 67 67 PHE CE2 C 13 131.23 0.4 . 1 . . . . 66 PHE CE2 . 18125 1 675 . 1 1 67 67 PHE CZ C 13 130.86 0.4 . 1 . . . . 66 PHE CZ . 18125 1 676 . 1 1 67 67 PHE N N 15 112.24 0.4 . 1 . . . . 66 PHE N . 18125 1 677 . 1 1 68 68 THR H H 1 8.2 0.02 . 1 . . . . 67 THR H . 18125 1 678 . 1 1 68 68 THR HA H 1 4.91 0.02 . 1 . . . . 67 THR HA . 18125 1 679 . 1 1 68 68 THR HB H 1 3.67 0.02 . 1 . . . . 67 THR HB . 18125 1 680 . 1 1 68 68 THR HG21 H 1 1.01 0.02 . 1 . . . . 67 THR HG2 . 18125 1 681 . 1 1 68 68 THR HG22 H 1 1.01 0.02 . 1 . . . . 67 THR HG2 . 18125 1 682 . 1 1 68 68 THR HG23 H 1 1.01 0.02 . 1 . . . . 67 THR HG2 . 18125 1 683 . 1 1 68 68 THR CA C 13 63.19 0.4 . 1 . . . . 67 THR CA . 18125 1 684 . 1 1 68 68 THR CB C 13 71.93 0.4 . 1 . . . . 67 THR CB . 18125 1 685 . 1 1 68 68 THR CG2 C 13 22.81 0.4 . 1 . . . . 67 THR CG2 . 18125 1 686 . 1 1 68 68 THR N N 15 116.07 0.4 . 1 . . . . 67 THR N . 18125 1 687 . 1 1 69 69 VAL H H 1 9.16 0.02 . 1 . . . . 68 VAL H . 18125 1 688 . 1 1 69 69 VAL HA H 1 4.15 0.02 . 1 . . . . 68 VAL HA . 18125 1 689 . 1 1 69 69 VAL HB H 1 0.9 0.02 . 1 . . . . 68 VAL HB . 18125 1 690 . 1 1 69 69 VAL HG11 H 1 0.46 0.02 . 2 . . . . 68 VAL HG1 . 18125 1 691 . 1 1 69 69 VAL HG12 H 1 0.46 0.02 . 2 . . . . 68 VAL HG1 . 18125 1 692 . 1 1 69 69 VAL HG13 H 1 0.46 0.02 . 2 . . . . 68 VAL HG1 . 18125 1 693 . 1 1 69 69 VAL HG21 H 1 -0.9 0.02 . 2 . . . . 68 VAL HG2 . 18125 1 694 . 1 1 69 69 VAL HG22 H 1 -0.9 0.02 . 2 . . . . 68 VAL HG2 . 18125 1 695 . 1 1 69 69 VAL HG23 H 1 -0.9 0.02 . 2 . . . . 68 VAL HG2 . 18125 1 696 . 1 1 69 69 VAL CA C 13 61.94 0.4 . 1 . . . . 68 VAL CA . 18125 1 697 . 1 1 69 69 VAL CB C 13 34.09 0.4 . 1 . . . . 68 VAL CB . 18125 1 698 . 1 1 69 69 VAL CG1 C 13 21.67 0.4 . 1 . . . . 68 VAL CG1 . 18125 1 699 . 1 1 69 69 VAL CG2 C 13 19.36 0.4 . 1 . . . . 68 VAL CG2 . 18125 1 700 . 1 1 69 69 VAL N N 15 124.11 0.4 . 1 . . . . 68 VAL N . 18125 1 701 . 1 1 70 70 ASN H H 1 7.24 0.02 . 1 . . . . 69 ASN H . 18125 1 702 . 1 1 70 70 ASN HA H 1 4.52 0.02 . 1 . . . . 69 ASN HA . 18125 1 703 . 1 1 70 70 ASN HB2 H 1 2.46 0.02 . 2 . . . . 69 ASN HB2 . 18125 1 704 . 1 1 70 70 ASN HB3 H 1 2.15 0.02 . 2 . . . . 69 ASN HB3 . 18125 1 705 . 1 1 70 70 ASN CA C 13 51.95 0.4 . 1 . . . . 69 ASN CA . 18125 1 706 . 1 1 70 70 ASN CB C 13 42.09 0.4 . 1 . . . . 69 ASN CB . 18125 1 707 . 1 1 70 70 ASN N N 15 125.59 0.4 . 1 . . . . 69 ASN N . 18125 1 708 . 1 1 71 71 TRP H H 1 6.09 0.02 . 1 . . . . 70 TRP H . 18125 1 709 . 1 1 71 71 TRP HA H 1 4.45 0.02 . 1 . . . . 70 TRP HA . 18125 1 710 . 1 1 71 71 TRP HB2 H 1 2.91 0.02 . 2 . . . . 70 TRP HB2 . 18125 1 711 . 1 1 71 71 TRP HB3 H 1 2.11 0.02 . 2 . . . . 70 TRP HB3 . 18125 1 712 . 1 1 71 71 TRP HD1 H 1 6.74 0.02 . 1 . . . . 70 TRP HD1 . 18125 1 713 . 1 1 71 71 TRP HE1 H 1 10.26 0.02 . 1 . . . . 70 TRP HE1 . 18125 1 714 . 1 1 71 71 TRP HE3 H 1 8.06 0.02 . 1 . . . . 70 TRP HE3 . 18125 1 715 . 1 1 71 71 TRP HZ2 H 1 7.12 0.02 . 1 . . . . 70 TRP HZ2 . 18125 1 716 . 1 1 71 71 TRP HZ3 H 1 7.41 0.02 . 1 . . . . 70 TRP HZ3 . 18125 1 717 . 1 1 71 71 TRP HH2 H 1 6.78 0.02 . 1 . . . . 70 TRP HH2 . 18125 1 718 . 1 1 71 71 TRP CA C 13 57.63 0.4 . 1 . . . . 70 TRP CA . 18125 1 719 . 1 1 71 71 TRP CB C 13 29.73 0.4 . 1 . . . . 70 TRP CB . 18125 1 720 . 1 1 71 71 TRP CD1 C 13 127.47 0.4 . 1 . . . . 70 TRP CD1 . 18125 1 721 . 1 1 71 71 TRP CE3 C 13 122.77 0.4 . 1 . . . . 70 TRP CE3 . 18125 1 722 . 1 1 71 71 TRP CZ2 C 13 114.92 0.4 . 1 . . . . 70 TRP CZ2 . 18125 1 723 . 1 1 71 71 TRP CZ3 C 13 122.12 0.4 . 1 . . . . 70 TRP CZ3 . 18125 1 724 . 1 1 71 71 TRP CH2 C 13 125.2 0.4 . 1 . . . . 70 TRP CH2 . 18125 1 725 . 1 1 71 71 TRP N N 15 122.22 0.4 . 1 . . . . 70 TRP N . 18125 1 726 . 1 1 71 71 TRP NE1 N 15 126.41 0.4 . 1 . . . . 70 TRP NE1 . 18125 1 727 . 1 1 72 72 LYS H H 1 8.22 0.02 . 1 . . . . 71 LYS H . 18125 1 728 . 1 1 72 72 LYS HA H 1 4.51 0.02 . 1 . . . . 71 LYS HA . 18125 1 729 . 1 1 72 72 LYS HB2 H 1 2.19 0.02 . 2 . . . . 71 LYS HB2 . 18125 1 730 . 1 1 72 72 LYS HB3 H 1 2.01 0.02 . 2 . . . . 71 LYS HB3 . 18125 1 731 . 1 1 72 72 LYS HG2 H 1 2.02 0.02 . 2 . . . . 71 LYS HG2 . 18125 1 732 . 1 1 72 72 LYS HG3 H 1 1.89 0.02 . 2 . . . . 71 LYS HG3 . 18125 1 733 . 1 1 72 72 LYS HD2 H 1 1.95 0.02 . 2 . . . . 71 LYS HD2 . 18125 1 734 . 1 1 72 72 LYS HD3 H 1 1.95 0.02 . 2 . . . . 71 LYS HD3 . 18125 1 735 . 1 1 72 72 LYS HE2 H 1 3.18 0.02 . 2 . . . . 71 LYS HE2 . 18125 1 736 . 1 1 72 72 LYS HE3 H 1 3.18 0.02 . 2 . . . . 71 LYS HE3 . 18125 1 737 . 1 1 72 72 LYS CA C 13 57.36 0.4 . 1 . . . . 71 LYS CA . 18125 1 738 . 1 1 72 72 LYS CB C 13 33.28 0.4 . 1 . . . . 71 LYS CB . 18125 1 739 . 1 1 72 72 LYS CG C 13 25.91 0.4 . 1 . . . . 71 LYS CG . 18125 1 740 . 1 1 72 72 LYS CD C 13 28.87 0.4 . 1 . . . . 71 LYS CD . 18125 1 741 . 1 1 72 72 LYS CE C 13 43.65 0.4 . 1 . . . . 71 LYS CE . 18125 1 742 . 1 1 72 72 LYS N N 15 119.01 0.4 . 1 . . . . 71 LYS N . 18125 1 743 . 1 1 73 73 PHE H H 1 6.91 0.02 . 1 . . . . 72 PHE H . 18125 1 744 . 1 1 73 73 PHE HA H 1 5.04 0.02 . 1 . . . . 72 PHE HA . 18125 1 745 . 1 1 73 73 PHE HB2 H 1 3.63 0.02 . 2 . . . . 72 PHE HB2 . 18125 1 746 . 1 1 73 73 PHE HB3 H 1 2.97 0.02 . 2 . . . . 72 PHE HB3 . 18125 1 747 . 1 1 73 73 PHE HD1 H 1 7.36 0.02 . 1 . . . . 72 PHE HD1 . 18125 1 748 . 1 1 73 73 PHE HD2 H 1 7.36 0.02 . 1 . . . . 72 PHE HD2 . 18125 1 749 . 1 1 73 73 PHE HE1 H 1 7.65 0.02 . 1 . . . . 72 PHE HE1 . 18125 1 750 . 1 1 73 73 PHE HE2 H 1 7.65 0.02 . 1 . . . . 72 PHE HE2 . 18125 1 751 . 1 1 73 73 PHE HZ H 1 6.83 0.02 . 1 . . . . 72 PHE HZ . 18125 1 752 . 1 1 73 73 PHE CA C 13 54.67 0.4 . 1 . . . . 72 PHE CA . 18125 1 753 . 1 1 73 73 PHE CB C 13 41.01 0.4 . 1 . . . . 72 PHE CB . 18125 1 754 . 1 1 73 73 PHE CD1 C 13 132.9 0.4 . 1 . . . . 72 PHE CD1 . 18125 1 755 . 1 1 73 73 PHE CD2 C 13 132.71 0.4 . 1 . . . . 72 PHE CD2 . 18125 1 756 . 1 1 73 73 PHE CE1 C 13 132.95 0.4 . 1 . . . . 72 PHE CE1 . 18125 1 757 . 1 1 73 73 PHE CZ C 13 131.12 0.4 . 1 . . . . 72 PHE CZ . 18125 1 758 . 1 1 73 73 PHE N N 15 110.38 0.4 . 1 . . . . 72 PHE N . 18125 1 759 . 1 1 74 74 SER H H 1 7.43 0.02 . 1 . . . . 73 SER H . 18125 1 760 . 1 1 74 74 SER HA H 1 4.75 0.02 . 1 . . . . 73 SER HA . 18125 1 761 . 1 1 74 74 SER HB2 H 1 3.93 0.02 . 2 . . . . 73 SER HB2 . 18125 1 762 . 1 1 74 74 SER HB3 H 1 3.48 0.02 . 2 . . . . 73 SER HB3 . 18125 1 763 . 1 1 74 74 SER CA C 13 56.89 0.4 . 1 . . . . 73 SER CA . 18125 1 764 . 1 1 74 74 SER CB C 13 66.71 0.4 . 1 . . . . 73 SER CB . 18125 1 765 . 1 1 74 74 SER N N 15 118.43 0.4 . 1 . . . . 73 SER N . 18125 1 766 . 1 1 75 75 GLU HA H 1 3.8 0.02 . 1 . . . . 74 GLU HA . 18125 1 767 . 1 1 75 75 GLU HB2 H 1 2.22 0.02 . 2 . . . . 74 GLU HB2 . 18125 1 768 . 1 1 75 75 GLU HB3 H 1 1.81 0.02 . 2 . . . . 74 GLU HB3 . 18125 1 769 . 1 1 75 75 GLU HG2 H 1 2.26 0.02 . 2 . . . . 74 GLU HG2 . 18125 1 770 . 1 1 75 75 GLU HG3 H 1 2.08 0.02 . 2 . . . . 74 GLU HG3 . 18125 1 771 . 1 1 75 75 GLU CA C 13 56.29 0.4 . 1 . . . . 74 GLU CA . 18125 1 772 . 1 1 75 75 GLU CB C 13 30.04 0.4 . 1 . . . . 74 GLU CB . 18125 1 773 . 1 1 75 75 GLU CG C 13 37.39 0.4 . 1 . . . . 74 GLU CG . 18125 1 774 . 1 1 76 76 SER H H 1 8.01 0.02 . 1 . . . . 75 SER H . 18125 1 775 . 1 1 76 76 SER HA H 1 5.05 0.02 . 1 . . . . 75 SER HA . 18125 1 776 . 1 1 76 76 SER HB2 H 1 3.93 0.02 . 2 . . . . 75 SER HB2 . 18125 1 777 . 1 1 76 76 SER HB3 H 1 3.74 0.02 . 2 . . . . 75 SER HB3 . 18125 1 778 . 1 1 76 76 SER CA C 13 59.04 0.4 . 1 . . . . 75 SER CA . 18125 1 779 . 1 1 76 76 SER CB C 13 65.21 0.4 . 1 . . . . 75 SER CB . 18125 1 780 . 1 1 76 76 SER N N 15 117.02 0.4 . 1 . . . . 75 SER N . 18125 1 781 . 1 1 77 77 THR H H 1 9.13 0.02 . 1 . . . . 76 THR H . 18125 1 782 . 1 1 77 77 THR HA H 1 4.91 0.02 . 1 . . . . 76 THR HA . 18125 1 783 . 1 1 77 77 THR HB H 1 3.65 0.02 . 1 . . . . 76 THR HB . 18125 1 784 . 1 1 77 77 THR HG21 H 1 1.1 0.02 . 1 . . . . 76 THR HG2 . 18125 1 785 . 1 1 77 77 THR HG22 H 1 1.1 0.02 . 1 . . . . 76 THR HG2 . 18125 1 786 . 1 1 77 77 THR HG23 H 1 1.1 0.02 . 1 . . . . 76 THR HG2 . 18125 1 787 . 1 1 77 77 THR CA C 13 64.89 0.4 . 1 . . . . 76 THR CA . 18125 1 788 . 1 1 77 77 THR CB C 13 74.75 0.4 . 1 . . . . 76 THR CB . 18125 1 789 . 1 1 77 77 THR CG2 C 13 22.74 0.4 . 1 . . . . 76 THR CG2 . 18125 1 790 . 1 1 77 77 THR N N 15 119.79 0.4 . 1 . . . . 76 THR N . 18125 1 791 . 1 1 78 78 THR H H 1 7.83 0.02 . 1 . . . . 77 THR H . 18125 1 792 . 1 1 78 78 THR HA H 1 5.93 0.02 . 1 . . . . 77 THR HA . 18125 1 793 . 1 1 78 78 THR HB H 1 3.96 0.02 . 1 . . . . 77 THR HB . 18125 1 794 . 1 1 78 78 THR HG21 H 1 0.77 0.02 . 1 . . . . 77 THR HG2 . 18125 1 795 . 1 1 78 78 THR HG22 H 1 0.77 0.02 . 1 . . . . 77 THR HG2 . 18125 1 796 . 1 1 78 78 THR HG23 H 1 0.77 0.02 . 1 . . . . 77 THR HG2 . 18125 1 797 . 1 1 78 78 THR CA C 13 61.62 0.4 . 1 . . . . 77 THR CA . 18125 1 798 . 1 1 78 78 THR CB C 13 72.05 0.4 . 1 . . . . 77 THR CB . 18125 1 799 . 1 1 78 78 THR CG2 C 13 26.9 0.4 . 1 . . . . 77 THR CG2 . 18125 1 800 . 1 1 78 78 THR N N 15 119.13 0.4 . 1 . . . . 77 THR N . 18125 1 801 . 1 1 79 79 VAL H H 1 8.85 0.02 . 1 . . . . 78 VAL H . 18125 1 802 . 1 1 79 79 VAL HA H 1 5.46 0.02 . 1 . . . . 78 VAL HA . 18125 1 803 . 1 1 79 79 VAL HB H 1 1.82 0.02 . 1 . . . . 78 VAL HB . 18125 1 804 . 1 1 79 79 VAL HG11 H 1 1.14 0.02 . 2 . . . . 78 VAL HG1 . 18125 1 805 . 1 1 79 79 VAL HG12 H 1 1.14 0.02 . 2 . . . . 78 VAL HG1 . 18125 1 806 . 1 1 79 79 VAL HG13 H 1 1.14 0.02 . 2 . . . . 78 VAL HG1 . 18125 1 807 . 1 1 79 79 VAL HG21 H 1 0.85 0.02 . 2 . . . . 78 VAL HG2 . 18125 1 808 . 1 1 79 79 VAL HG22 H 1 0.85 0.02 . 2 . . . . 78 VAL HG2 . 18125 1 809 . 1 1 79 79 VAL HG23 H 1 0.85 0.02 . 2 . . . . 78 VAL HG2 . 18125 1 810 . 1 1 79 79 VAL CA C 13 59.33 0.4 . 1 . . . . 78 VAL CA . 18125 1 811 . 1 1 79 79 VAL CB C 13 34.96 0.4 . 1 . . . . 78 VAL CB . 18125 1 812 . 1 1 79 79 VAL CG1 C 13 22.99 0.4 . 1 . . . . 78 VAL CG1 . 18125 1 813 . 1 1 79 79 VAL CG2 C 13 20.78 0.4 . 1 . . . . 78 VAL CG2 . 18125 1 814 . 1 1 79 79 VAL N N 15 117.88 0.4 . 1 . . . . 78 VAL N . 18125 1 815 . 1 1 80 80 PHE H H 1 8.72 0.02 . 1 . . . . 79 PHE H . 18125 1 816 . 1 1 80 80 PHE HA H 1 5.27 0.02 . 1 . . . . 79 PHE HA . 18125 1 817 . 1 1 80 80 PHE HB2 H 1 2.86 0.02 . 2 . . . . 79 PHE HB2 . 18125 1 818 . 1 1 80 80 PHE HB3 H 1 2.55 0.02 . 2 . . . . 79 PHE HB3 . 18125 1 819 . 1 1 80 80 PHE HD1 H 1 6.6 0.02 . 1 . . . . 79 PHE HD1 . 18125 1 820 . 1 1 80 80 PHE HD2 H 1 6.6 0.02 . 1 . . . . 79 PHE HD2 . 18125 1 821 . 1 1 80 80 PHE HE1 H 1 6.98 0.02 . 1 . . . . 79 PHE HE1 . 18125 1 822 . 1 1 80 80 PHE HE2 H 1 6.98 0.02 . 1 . . . . 79 PHE HE2 . 18125 1 823 . 1 1 80 80 PHE CA C 13 56.36 0.4 . 1 . . . . 79 PHE CA . 18125 1 824 . 1 1 80 80 PHE CB C 13 45.11 0.4 . 1 . . . . 79 PHE CB . 18125 1 825 . 1 1 80 80 PHE CD1 C 13 129.3 0.4 . 1 . . . . 79 PHE CD1 . 18125 1 826 . 1 1 80 80 PHE CD2 C 13 129.3 0.4 . 1 . . . . 79 PHE CD2 . 18125 1 827 . 1 1 80 80 PHE CE1 C 13 130.91 0.4 . 1 . . . . 79 PHE CE1 . 18125 1 828 . 1 1 80 80 PHE CE2 C 13 130.91 0.4 . 1 . . . . 79 PHE CE2 . 18125 1 829 . 1 1 80 80 PHE N N 15 118.81 0.4 . 1 . . . . 79 PHE N . 18125 1 830 . 1 1 81 81 THR H H 1 9.04 0.02 . 1 . . . . 80 THR H . 18125 1 831 . 1 1 81 81 THR HA H 1 4.94 0.02 . 1 . . . . 80 THR HA . 18125 1 832 . 1 1 81 81 THR HB H 1 4.11 0.02 . 1 . . . . 80 THR HB . 18125 1 833 . 1 1 81 81 THR HG21 H 1 0.98 0.02 . 1 . . . . 80 THR HG2 . 18125 1 834 . 1 1 81 81 THR HG22 H 1 0.98 0.02 . 1 . . . . 80 THR HG2 . 18125 1 835 . 1 1 81 81 THR HG23 H 1 0.98 0.02 . 1 . . . . 80 THR HG2 . 18125 1 836 . 1 1 81 81 THR CA C 13 60.4 0.4 . 1 . . . . 80 THR CA . 18125 1 837 . 1 1 81 81 THR CB C 13 70.89 0.4 . 1 . . . . 80 THR CB . 18125 1 838 . 1 1 81 81 THR CG2 C 13 20.44 0.4 . 1 . . . . 80 THR CG2 . 18125 1 839 . 1 1 81 81 THR N N 15 112.35 0.4 . 1 . . . . 80 THR N . 18125 1 840 . 1 1 82 82 GLY H H 1 7.05 0.02 . 1 . . . . 81 GLY H . 18125 1 841 . 1 1 82 82 GLY HA2 H 1 4.59 0.02 . 2 . . . . 81 GLY HA2 . 18125 1 842 . 1 1 82 82 GLY HA3 H 1 4.02 0.02 . 2 . . . . 81 GLY HA3 . 18125 1 843 . 1 1 82 82 GLY CA C 13 47.19 0.4 . 1 . . . . 81 GLY CA . 18125 1 844 . 1 1 82 82 GLY N N 15 112.04 0.4 . 1 . . . . 81 GLY N . 18125 1 845 . 1 1 83 83 GLN H H 1 7.95 0.02 . 1 . . . . 82 GLN H . 18125 1 846 . 1 1 83 83 GLN HA H 1 4.78 0.02 . 1 . . . . 82 GLN HA . 18125 1 847 . 1 1 83 83 GLN HB2 H 1 1.56 0.02 . 2 . . . . 82 GLN HB2 . 18125 1 848 . 1 1 83 83 GLN HB3 H 1 1.36 0.02 . 2 . . . . 82 GLN HB3 . 18125 1 849 . 1 1 83 83 GLN HG2 H 1 1.8 0.02 . 2 . . . . 82 GLN HG2 . 18125 1 850 . 1 1 83 83 GLN HG3 H 1 1.8 0.02 . 2 . . . . 82 GLN HG3 . 18125 1 851 . 1 1 83 83 GLN CA C 13 54.52 0.4 . 1 . . . . 82 GLN CA . 18125 1 852 . 1 1 83 83 GLN CB C 13 32.03 0.4 . 1 . . . . 82 GLN CB . 18125 1 853 . 1 1 83 83 GLN CG C 13 32.36 0.4 . 1 . . . . 82 GLN CG . 18125 1 854 . 1 1 83 83 GLN N N 15 119.37 0.4 . 1 . . . . 82 GLN N . 18125 1 855 . 1 1 84 84 CYS H H 1 7.74 0.02 . 1 . . . . 83 CYS H . 18125 1 856 . 1 1 84 84 CYS HA H 1 5.03 0.02 . 1 . . . . 83 CYS HA . 18125 1 857 . 1 1 84 84 CYS HB2 H 1 3.13 0.02 . 2 . . . . 83 CYS HB2 . 18125 1 858 . 1 1 84 84 CYS HB3 H 1 2.27 0.02 . 2 . . . . 83 CYS HB3 . 18125 1 859 . 1 1 84 84 CYS CA C 13 55.35 0.4 . 1 . . . . 83 CYS CA . 18125 1 860 . 1 1 84 84 CYS CB C 13 39.79 0.4 . 1 . . . . 83 CYS CB . 18125 1 861 . 1 1 84 84 CYS N N 15 125.63 0.4 . 1 . . . . 83 CYS N . 18125 1 862 . 1 1 85 85 PHE H H 1 9.09 0.02 . 1 . . . . 84 PHE H . 18125 1 863 . 1 1 85 85 PHE HA H 1 5 0.02 . 1 . . . . 84 PHE HA . 18125 1 864 . 1 1 85 85 PHE HB2 H 1 3.05 0.02 . 2 . . . . 84 PHE HB2 . 18125 1 865 . 1 1 85 85 PHE HB3 H 1 2.76 0.02 . 2 . . . . 84 PHE HB3 . 18125 1 866 . 1 1 85 85 PHE HD1 H 1 7.19 0.02 . 1 . . . . 84 PHE HD1 . 18125 1 867 . 1 1 85 85 PHE HD2 H 1 7.19 0.02 . 1 . . . . 84 PHE HD2 . 18125 1 868 . 1 1 85 85 PHE HE1 H 1 7.14 0.02 . 1 . . . . 84 PHE HE1 . 18125 1 869 . 1 1 85 85 PHE HE2 H 1 7.14 0.02 . 1 . . . . 84 PHE HE2 . 18125 1 870 . 1 1 85 85 PHE HZ H 1 6.69 0.02 . 1 . . . . 84 PHE HZ . 18125 1 871 . 1 1 85 85 PHE CA C 13 57.99 0.4 . 1 . . . . 84 PHE CA . 18125 1 872 . 1 1 85 85 PHE CB C 13 43.88 0.4 . 1 . . . . 84 PHE CB . 18125 1 873 . 1 1 85 85 PHE CD1 C 13 132.51 0.4 . 1 . . . . 84 PHE CD1 . 18125 1 874 . 1 1 85 85 PHE CE1 C 13 131.19 0.4 . 1 . . . . 84 PHE CE1 . 18125 1 875 . 1 1 85 85 PHE CE2 C 13 131.01 0.4 . 1 . . . . 84 PHE CE2 . 18125 1 876 . 1 1 85 85 PHE CZ C 13 129.29 0.4 . 1 . . . . 84 PHE CZ . 18125 1 877 . 1 1 85 85 PHE N N 15 121.51 0.4 . 1 . . . . 84 PHE N . 18125 1 878 . 1 1 86 86 ILE H H 1 8.53 0.02 . 1 . . . . 85 ILE H . 18125 1 879 . 1 1 86 86 ILE HA H 1 4.8 0.02 . 1 . . . . 85 ILE HA . 18125 1 880 . 1 1 86 86 ILE HB H 1 1.82 0.02 . 1 . . . . 85 ILE HB . 18125 1 881 . 1 1 86 86 ILE HG12 H 1 1.47 0.02 . 2 . . . . 85 ILE HG12 . 18125 1 882 . 1 1 86 86 ILE HG13 H 1 1.19 0.02 . 2 . . . . 85 ILE HG13 . 18125 1 883 . 1 1 86 86 ILE HG21 H 1 0.96 0.02 . 1 . . . . 85 ILE HG2 . 18125 1 884 . 1 1 86 86 ILE HG22 H 1 0.96 0.02 . 1 . . . . 85 ILE HG2 . 18125 1 885 . 1 1 86 86 ILE HG23 H 1 0.96 0.02 . 1 . . . . 85 ILE HG2 . 18125 1 886 . 1 1 86 86 ILE HD11 H 1 0.75 0.02 . 1 . . . . 85 ILE HD1 . 18125 1 887 . 1 1 86 86 ILE HD12 H 1 0.75 0.02 . 1 . . . . 85 ILE HD1 . 18125 1 888 . 1 1 86 86 ILE HD13 H 1 0.75 0.02 . 1 . . . . 85 ILE HD1 . 18125 1 889 . 1 1 86 86 ILE CA C 13 60.15 0.4 . 1 . . . . 85 ILE CA . 18125 1 890 . 1 1 86 86 ILE CB C 13 39.08 0.4 . 1 . . . . 85 ILE CB . 18125 1 891 . 1 1 86 86 ILE CG1 C 13 28.37 0.4 . 1 . . . . 85 ILE CG1 . 18125 1 892 . 1 1 86 86 ILE CG2 C 13 18.16 0.4 . 1 . . . . 85 ILE CG2 . 18125 1 893 . 1 1 86 86 ILE CD1 C 13 13.61 0.4 . 1 . . . . 85 ILE CD1 . 18125 1 894 . 1 1 86 86 ILE N N 15 119.14 0.4 . 1 . . . . 85 ILE N . 18125 1 895 . 1 1 87 87 ASP H H 1 8.96 0.02 . 1 . . . . 86 ASP H . 18125 1 896 . 1 1 87 87 ASP HA H 1 4.7 0.02 . 1 . . . . 86 ASP HA . 18125 1 897 . 1 1 87 87 ASP HB2 H 1 3.31 0.02 . 2 . . . . 86 ASP HB2 . 18125 1 898 . 1 1 87 87 ASP HB3 H 1 2.77 0.02 . 2 . . . . 86 ASP HB3 . 18125 1 899 . 1 1 87 87 ASP CA C 13 53.53 0.4 . 1 . . . . 86 ASP CA . 18125 1 900 . 1 1 87 87 ASP CB C 13 42.14 0.4 . 1 . . . . 86 ASP CB . 18125 1 901 . 1 1 87 87 ASP N N 15 127.67 0.4 . 1 . . . . 86 ASP N . 18125 1 902 . 1 1 88 88 ARG H H 1 8.47 0.02 . 1 . . . . 87 ARG H . 18125 1 903 . 1 1 88 88 ARG HA H 1 4.17 0.02 . 1 . . . . 87 ARG HA . 18125 1 904 . 1 1 88 88 ARG HB2 H 1 1.92 0.02 . 2 . . . . 87 ARG HB2 . 18125 1 905 . 1 1 88 88 ARG HB3 H 1 1.92 0.02 . 2 . . . . 87 ARG HB3 . 18125 1 906 . 1 1 88 88 ARG HG2 H 1 1.74 0.02 . 2 . . . . 87 ARG HG2 . 18125 1 907 . 1 1 88 88 ARG HG3 H 1 1.74 0.02 . 2 . . . . 87 ARG HG3 . 18125 1 908 . 1 1 88 88 ARG HD2 H 1 3.27 0.02 . 2 . . . . 87 ARG HD2 . 18125 1 909 . 1 1 88 88 ARG HD3 H 1 3.27 0.02 . 2 . . . . 87 ARG HD3 . 18125 1 910 . 1 1 88 88 ARG CA C 13 58.88 0.4 . 1 . . . . 87 ARG CA . 18125 1 911 . 1 1 88 88 ARG CB C 13 30.38 0.4 . 1 . . . . 87 ARG CB . 18125 1 912 . 1 1 88 88 ARG CG C 13 27.79 0.4 . 1 . . . . 87 ARG CG . 18125 1 913 . 1 1 88 88 ARG CD C 13 43.99 0.4 . 1 . . . . 87 ARG CD . 18125 1 914 . 1 1 88 88 ARG N N 15 116.46 0.4 . 1 . . . . 87 ARG N . 18125 1 915 . 1 1 89 89 ASN H H 1 8.31 0.02 . 1 . . . . 88 ASN H . 18125 1 916 . 1 1 89 89 ASN HA H 1 4.89 0.02 . 1 . . . . 88 ASN HA . 18125 1 917 . 1 1 89 89 ASN HB2 H 1 3.01 0.02 . 2 . . . . 88 ASN HB2 . 18125 1 918 . 1 1 89 89 ASN HB3 H 1 2.92 0.02 . 2 . . . . 88 ASN HB3 . 18125 1 919 . 1 1 89 89 ASN CA C 13 53.47 0.4 . 1 . . . . 88 ASN CA . 18125 1 920 . 1 1 89 89 ASN CB C 13 40.13 0.4 . 1 . . . . 88 ASN CB . 18125 1 921 . 1 1 89 89 ASN N N 15 115.95 0.4 . 1 . . . . 88 ASN N . 18125 1 922 . 1 1 90 90 GLY H H 1 8.27 0.02 . 1 . . . . 89 GLY H . 18125 1 923 . 1 1 90 90 GLY HA2 H 1 4.21 0.02 . 2 . . . . 89 GLY HA2 . 18125 1 924 . 1 1 90 90 GLY HA3 H 1 3.58 0.02 . 2 . . . . 89 GLY HA3 . 18125 1 925 . 1 1 90 90 GLY CA C 13 46.32 0.4 . 1 . . . . 89 GLY CA . 18125 1 926 . 1 1 90 90 GLY N N 15 108.4 0.4 . 1 . . . . 89 GLY N . 18125 1 927 . 1 1 91 91 LYS H H 1 8.32 0.02 . 1 . . . . 90 LYS H . 18125 1 928 . 1 1 91 91 LYS HA H 1 4.4 0.02 . 1 . . . . 90 LYS HA . 18125 1 929 . 1 1 91 91 LYS HB2 H 1 1.99 0.02 . 2 . . . . 90 LYS HB2 . 18125 1 930 . 1 1 91 91 LYS HB3 H 1 1.77 0.02 . 2 . . . . 90 LYS HB3 . 18125 1 931 . 1 1 91 91 LYS HG2 H 1 1.42 0.02 . 2 . . . . 90 LYS HG2 . 18125 1 932 . 1 1 91 91 LYS HG3 H 1 1.42 0.02 . 2 . . . . 90 LYS HG3 . 18125 1 933 . 1 1 91 91 LYS HE2 H 1 3.02 0.02 . 2 . . . . 90 LYS HE2 . 18125 1 934 . 1 1 91 91 LYS HE3 H 1 3.02 0.02 . 2 . . . . 90 LYS HE3 . 18125 1 935 . 1 1 91 91 LYS CA C 13 56.33 0.4 . 1 . . . . 90 LYS CA . 18125 1 936 . 1 1 91 91 LYS CB C 13 34.4 0.4 . 1 . . . . 90 LYS CB . 18125 1 937 . 1 1 91 91 LYS CG C 13 25.82 0.4 . 1 . . . . 90 LYS CG . 18125 1 938 . 1 1 91 91 LYS N N 15 121.64 0.4 . 1 . . . . 90 LYS N . 18125 1 939 . 1 1 92 92 GLU H H 1 8.35 0.02 . 1 . . . . 91 GLU H . 18125 1 940 . 1 1 92 92 GLU HA H 1 5.28 0.02 . 1 . . . . 91 GLU HA . 18125 1 941 . 1 1 92 92 GLU HB2 H 1 2.33 0.02 . 2 . . . . 91 GLU HB2 . 18125 1 942 . 1 1 92 92 GLU HB3 H 1 2.17 0.02 . 2 . . . . 91 GLU HB3 . 18125 1 943 . 1 1 92 92 GLU HG2 H 1 2.41 0.02 . 2 . . . . 91 GLU HG2 . 18125 1 944 . 1 1 92 92 GLU HG3 H 1 2.34 0.02 . 2 . . . . 91 GLU HG3 . 18125 1 945 . 1 1 92 92 GLU CA C 13 56.59 0.4 . 1 . . . . 91 GLU CA . 18125 1 946 . 1 1 92 92 GLU CB C 13 33.77 0.4 . 1 . . . . 91 GLU CB . 18125 1 947 . 1 1 92 92 GLU CG C 13 38.35 0.4 . 1 . . . . 91 GLU CG . 18125 1 948 . 1 1 92 92 GLU N N 15 121.72 0.4 . 1 . . . . 91 GLU N . 18125 1 949 . 1 1 93 93 VAL H H 1 9.31 0.02 . 1 . . . . 92 VAL H . 18125 1 950 . 1 1 93 93 VAL HA H 1 5.11 0.02 . 1 . . . . 92 VAL HA . 18125 1 951 . 1 1 93 93 VAL HB H 1 2.18 0.02 . 1 . . . . 92 VAL HB . 18125 1 952 . 1 1 93 93 VAL HG11 H 1 1.1 0.02 . 2 . . . . 92 VAL HG1 . 18125 1 953 . 1 1 93 93 VAL HG12 H 1 1.1 0.02 . 2 . . . . 92 VAL HG1 . 18125 1 954 . 1 1 93 93 VAL HG13 H 1 1.1 0.02 . 2 . . . . 92 VAL HG1 . 18125 1 955 . 1 1 93 93 VAL HG21 H 1 1.1 0.02 . 2 . . . . 92 VAL HG2 . 18125 1 956 . 1 1 93 93 VAL HG22 H 1 1.1 0.02 . 2 . . . . 92 VAL HG2 . 18125 1 957 . 1 1 93 93 VAL HG23 H 1 1.1 0.02 . 2 . . . . 92 VAL HG2 . 18125 1 958 . 1 1 93 93 VAL CA C 13 61.42 0.4 . 1 . . . . 92 VAL CA . 18125 1 959 . 1 1 93 93 VAL CB C 13 37.26 0.4 . 1 . . . . 92 VAL CB . 18125 1 960 . 1 1 93 93 VAL CG1 C 13 22.21 0.4 . 1 . . . . 92 VAL CG1 . 18125 1 961 . 1 1 93 93 VAL N N 15 121.55 0.4 . 1 . . . . 92 VAL N . 18125 1 962 . 1 1 94 94 LEU H H 1 9.18 0.02 . 1 . . . . 93 LEU H . 18125 1 963 . 1 1 94 94 LEU HA H 1 5.42 0.02 . 1 . . . . 93 LEU HA . 18125 1 964 . 1 1 94 94 LEU HB2 H 1 1.93 0.02 . 2 . . . . 93 LEU HB2 . 18125 1 965 . 1 1 94 94 LEU HB3 H 1 0.98 0.02 . 2 . . . . 93 LEU HB3 . 18125 1 966 . 1 1 94 94 LEU HG H 1 0.66 0.02 . 1 . . . . 93 LEU HG . 18125 1 967 . 1 1 94 94 LEU HD11 H 1 0.06 0.02 . 2 . . . . 93 LEU HD1 . 18125 1 968 . 1 1 94 94 LEU HD12 H 1 0.06 0.02 . 2 . . . . 93 LEU HD1 . 18125 1 969 . 1 1 94 94 LEU HD13 H 1 0.06 0.02 . 2 . . . . 93 LEU HD1 . 18125 1 970 . 1 1 94 94 LEU HD21 H 1 -1.18 0.02 . 2 . . . . 93 LEU HD2 . 18125 1 971 . 1 1 94 94 LEU HD22 H 1 -1.18 0.02 . 2 . . . . 93 LEU HD2 . 18125 1 972 . 1 1 94 94 LEU HD23 H 1 -1.18 0.02 . 2 . . . . 93 LEU HD2 . 18125 1 973 . 1 1 94 94 LEU CA C 13 53.26 0.4 . 1 . . . . 93 LEU CA . 18125 1 974 . 1 1 94 94 LEU CB C 13 42.22 0.4 . 1 . . . . 93 LEU CB . 18125 1 975 . 1 1 94 94 LEU CG C 13 26.15 0.4 . 1 . . . . 93 LEU CG . 18125 1 976 . 1 1 94 94 LEU CD1 C 13 24.63 0.4 . 1 . . . . 93 LEU CD1 . 18125 1 977 . 1 1 94 94 LEU CD2 C 13 23.2 0.4 . 1 . . . . 93 LEU CD2 . 18125 1 978 . 1 1 94 94 LEU N N 15 121.11 0.4 . 1 . . . . 93 LEU N . 18125 1 979 . 1 1 95 95 LYS H H 1 8.18 0.02 . 1 . . . . 94 LYS H . 18125 1 980 . 1 1 95 95 LYS HA H 1 5.03 0.02 . 1 . . . . 94 LYS HA . 18125 1 981 . 1 1 95 95 LYS HB2 H 1 2.5 0.02 . 2 . . . . 94 LYS HB2 . 18125 1 982 . 1 1 95 95 LYS HB3 H 1 2.38 0.02 . 2 . . . . 94 LYS HB3 . 18125 1 983 . 1 1 95 95 LYS HG2 H 1 1.8 0.02 . 2 . . . . 94 LYS HG2 . 18125 1 984 . 1 1 95 95 LYS HG3 H 1 1.71 0.02 . 2 . . . . 94 LYS HG3 . 18125 1 985 . 1 1 95 95 LYS HD2 H 1 1.93 0.02 . 2 . . . . 94 LYS HD2 . 18125 1 986 . 1 1 95 95 LYS HD3 H 1 1.85 0.02 . 2 . . . . 94 LYS HD3 . 18125 1 987 . 1 1 95 95 LYS HE2 H 1 3.21 0.02 . 2 . . . . 94 LYS HE2 . 18125 1 988 . 1 1 95 95 LYS HE3 H 1 3.17 0.02 . 2 . . . . 94 LYS HE3 . 18125 1 989 . 1 1 95 95 LYS CA C 13 56.52 0.4 . 1 . . . . 94 LYS CA . 18125 1 990 . 1 1 95 95 LYS CB C 13 32 0.4 . 1 . . . . 94 LYS CB . 18125 1 991 . 1 1 95 95 LYS CG C 13 25.37 0.4 . 1 . . . . 94 LYS CG . 18125 1 992 . 1 1 95 95 LYS CD C 13 28.4 0.4 . 1 . . . . 94 LYS CD . 18125 1 993 . 1 1 95 95 LYS CE C 13 42.19 0.4 . 1 . . . . 94 LYS CE . 18125 1 994 . 1 1 95 95 LYS N N 15 124.93 0.4 . 1 . . . . 94 LYS N . 18125 1 995 . 1 1 96 96 THR H H 1 8.29 0.02 . 1 . . . . 95 THR H . 18125 1 996 . 1 1 96 96 THR HA H 1 5.89 0.02 . 1 . . . . 95 THR HA . 18125 1 997 . 1 1 96 96 THR HB H 1 4.48 0.02 . 1 . . . . 95 THR HB . 18125 1 998 . 1 1 96 96 THR HG21 H 1 1.27 0.02 . 1 . . . . 95 THR HG2 . 18125 1 999 . 1 1 96 96 THR HG22 H 1 1.27 0.02 . 1 . . . . 95 THR HG2 . 18125 1 1000 . 1 1 96 96 THR HG23 H 1 1.27 0.02 . 1 . . . . 95 THR HG2 . 18125 1 1001 . 1 1 96 96 THR CA C 13 60.47 0.4 . 1 . . . . 95 THR CA . 18125 1 1002 . 1 1 96 96 THR CB C 13 74.84 0.4 . 1 . . . . 95 THR CB . 18125 1 1003 . 1 1 96 96 THR CG2 C 13 23.7 0.4 . 1 . . . . 95 THR CG2 . 18125 1 1004 . 1 1 96 96 THR N N 15 109.71 0.4 . 1 . . . . 95 THR N . 18125 1 1005 . 1 1 97 97 MET H H 1 9.1 0.02 . 1 . . . . 96 MET H . 18125 1 1006 . 1 1 97 97 MET HA H 1 5.25 0.02 . 1 . . . . 96 MET HA . 18125 1 1007 . 1 1 97 97 MET HB2 H 1 2.12 0.02 . 2 . . . . 96 MET HB2 . 18125 1 1008 . 1 1 97 97 MET HB3 H 1 1.68 0.02 . 2 . . . . 96 MET HB3 . 18125 1 1009 . 1 1 97 97 MET HG2 H 1 2.78 0.02 . 2 . . . . 96 MET HG2 . 18125 1 1010 . 1 1 97 97 MET HG3 H 1 2.7 0.02 . 2 . . . . 96 MET HG3 . 18125 1 1011 . 1 1 97 97 MET HE1 H 1 1.7 0.02 . 1 . . . . 96 MET HE . 18125 1 1012 . 1 1 97 97 MET HE2 H 1 1.7 0.02 . 1 . . . . 96 MET HE . 18125 1 1013 . 1 1 97 97 MET HE3 H 1 1.7 0.02 . 1 . . . . 96 MET HE . 18125 1 1014 . 1 1 97 97 MET CA C 13 55.79 0.4 . 1 . . . . 96 MET CA . 18125 1 1015 . 1 1 97 97 MET CB C 13 37.72 0.4 . 1 . . . . 96 MET CB . 18125 1 1016 . 1 1 97 97 MET CG C 13 34.25 0.4 . 1 . . . . 96 MET CG . 18125 1 1017 . 1 1 97 97 MET CE C 13 17.83 0.4 . 1 . . . . 96 MET CE . 18125 1 1018 . 1 1 97 97 MET N N 15 119.36 0.4 . 1 . . . . 96 MET N . 18125 1 1019 . 1 1 98 98 TRP H H 1 8 0.02 . 1 . . . . 97 TRP H . 18125 1 1020 . 1 1 98 98 TRP HA H 1 5.54 0.02 . 1 . . . . 97 TRP HA . 18125 1 1021 . 1 1 98 98 TRP HB2 H 1 2.19 0.02 . 2 . . . . 97 TRP HB2 . 18125 1 1022 . 1 1 98 98 TRP HB3 H 1 2 0.02 . 2 . . . . 97 TRP HB3 . 18125 1 1023 . 1 1 98 98 TRP HD1 H 1 6.61 0.02 . 1 . . . . 97 TRP HD1 . 18125 1 1024 . 1 1 98 98 TRP HE1 H 1 8.51 0.02 . 1 . . . . 97 TRP HE1 . 18125 1 1025 . 1 1 98 98 TRP HE3 H 1 7.64 0.02 . 1 . . . . 97 TRP HE3 . 18125 1 1026 . 1 1 98 98 TRP HZ2 H 1 7.62 0.02 . 1 . . . . 97 TRP HZ2 . 18125 1 1027 . 1 1 98 98 TRP HZ3 H 1 6.9 0.02 . 1 . . . . 97 TRP HZ3 . 18125 1 1028 . 1 1 98 98 TRP HH2 H 1 6.62 0.02 . 1 . . . . 97 TRP HH2 . 18125 1 1029 . 1 1 98 98 TRP CA C 13 54 0.4 . 1 . . . . 97 TRP CA . 18125 1 1030 . 1 1 98 98 TRP CB C 13 33.7 0.4 . 1 . . . . 97 TRP CB . 18125 1 1031 . 1 1 98 98 TRP CD1 C 13 129.24 0.4 . 1 . . . . 97 TRP CD1 . 18125 1 1032 . 1 1 98 98 TRP CE3 C 13 125.19 0.4 . 1 . . . . 97 TRP CE3 . 18125 1 1033 . 1 1 98 98 TRP CZ2 C 13 114.72 0.4 . 1 . . . . 97 TRP CZ2 . 18125 1 1034 . 1 1 98 98 TRP CZ3 C 13 123.17 0.4 . 1 . . . . 97 TRP CZ3 . 18125 1 1035 . 1 1 98 98 TRP CH2 C 13 122.19 0.4 . 1 . . . . 97 TRP CH2 . 18125 1 1036 . 1 1 98 98 TRP N N 15 116.21 0.4 . 1 . . . . 97 TRP N . 18125 1 1037 . 1 1 98 98 TRP NE1 N 15 130.76 0.4 . 1 . . . . 97 TRP NE1 . 18125 1 1038 . 1 1 99 99 LEU H H 1 8.19 0.02 . 1 . . . . 98 LEU H . 18125 1 1039 . 1 1 99 99 LEU HA H 1 5.54 0.02 . 1 . . . . 98 LEU HA . 18125 1 1040 . 1 1 99 99 LEU HB2 H 1 1.72 0.02 . 2 . . . . 98 LEU HB2 . 18125 1 1041 . 1 1 99 99 LEU HB3 H 1 0.97 0.02 . 2 . . . . 98 LEU HB3 . 18125 1 1042 . 1 1 99 99 LEU HG H 1 1.46 0.02 . 1 . . . . 98 LEU HG . 18125 1 1043 . 1 1 99 99 LEU HD11 H 1 0.57 0.02 . 2 . . . . 98 LEU HD1 . 18125 1 1044 . 1 1 99 99 LEU HD12 H 1 0.57 0.02 . 2 . . . . 98 LEU HD1 . 18125 1 1045 . 1 1 99 99 LEU HD13 H 1 0.57 0.02 . 2 . . . . 98 LEU HD1 . 18125 1 1046 . 1 1 99 99 LEU HD21 H 1 0.68 0.02 . 2 . . . . 98 LEU HD2 . 18125 1 1047 . 1 1 99 99 LEU HD22 H 1 0.68 0.02 . 2 . . . . 98 LEU HD2 . 18125 1 1048 . 1 1 99 99 LEU HD23 H 1 0.68 0.02 . 2 . . . . 98 LEU HD2 . 18125 1 1049 . 1 1 99 99 LEU CA C 13 54.05 0.4 . 1 . . . . 98 LEU CA . 18125 1 1050 . 1 1 99 99 LEU CB C 13 46.7 0.4 . 1 . . . . 98 LEU CB . 18125 1 1051 . 1 1 99 99 LEU CG C 13 26.43 0.4 . 1 . . . . 98 LEU CG . 18125 1 1052 . 1 1 99 99 LEU CD1 C 13 27.29 0.4 . 1 . . . . 98 LEU CD1 . 18125 1 1053 . 1 1 99 99 LEU CD2 C 13 23.78 0.4 . 1 . . . . 98 LEU CD2 . 18125 1 1054 . 1 1 99 99 LEU N N 15 114.29 0.4 . 1 . . . . 98 LEU N . 18125 1 1055 . 1 1 100 100 LEU H H 1 9.34 0.02 . 1 . . . . 99 LEU H . 18125 1 1056 . 1 1 100 100 LEU HA H 1 5.21 0.02 . 1 . . . . 99 LEU HA . 18125 1 1057 . 1 1 100 100 LEU HB2 H 1 1.96 0.02 . 2 . . . . 99 LEU HB2 . 18125 1 1058 . 1 1 100 100 LEU HB3 H 1 1.44 0.02 . 2 . . . . 99 LEU HB3 . 18125 1 1059 . 1 1 100 100 LEU HG H 1 1.74 0.02 . 1 . . . . 99 LEU HG . 18125 1 1060 . 1 1 100 100 LEU HD11 H 1 0.75 0.02 . 2 . . . . 99 LEU HD1 . 18125 1 1061 . 1 1 100 100 LEU HD12 H 1 0.75 0.02 . 2 . . . . 99 LEU HD1 . 18125 1 1062 . 1 1 100 100 LEU HD13 H 1 0.75 0.02 . 2 . . . . 99 LEU HD1 . 18125 1 1063 . 1 1 100 100 LEU HD21 H 1 0.74 0.02 . 2 . . . . 99 LEU HD2 . 18125 1 1064 . 1 1 100 100 LEU HD22 H 1 0.74 0.02 . 2 . . . . 99 LEU HD2 . 18125 1 1065 . 1 1 100 100 LEU HD23 H 1 0.74 0.02 . 2 . . . . 99 LEU HD2 . 18125 1 1066 . 1 1 100 100 LEU CA C 13 54.44 0.4 . 1 . . . . 99 LEU CA . 18125 1 1067 . 1 1 100 100 LEU CB C 13 46.41 0.4 . 1 . . . . 99 LEU CB . 18125 1 1068 . 1 1 100 100 LEU CG C 13 28.81 0.4 . 1 . . . . 99 LEU CG . 18125 1 1069 . 1 1 100 100 LEU CD1 C 13 26.71 0.4 . 1 . . . . 99 LEU CD1 . 18125 1 1070 . 1 1 100 100 LEU CD2 C 13 24.72 0.4 . 1 . . . . 99 LEU CD2 . 18125 1 1071 . 1 1 100 100 LEU N N 15 126.14 0.4 . 1 . . . . 99 LEU N . 18125 1 1072 . 1 1 101 101 ARG H H 1 9.83 0.02 . 1 . . . . 100 ARG H . 18125 1 1073 . 1 1 101 101 ARG HA H 1 5.25 0.02 . 1 . . . . 100 ARG HA . 18125 1 1074 . 1 1 101 101 ARG HB2 H 1 1.98 0.02 . 2 . . . . 100 ARG HB2 . 18125 1 1075 . 1 1 101 101 ARG HB3 H 1 1.71 0.02 . 2 . . . . 100 ARG HB3 . 18125 1 1076 . 1 1 101 101 ARG HG2 H 1 1.26 0.02 . 2 . . . . 100 ARG HG2 . 18125 1 1077 . 1 1 101 101 ARG HG3 H 1 1.26 0.02 . 2 . . . . 100 ARG HG3 . 18125 1 1078 . 1 1 101 101 ARG HD2 H 1 3.32 0.02 . 2 . . . . 100 ARG HD2 . 18125 1 1079 . 1 1 101 101 ARG HD3 H 1 3.32 0.02 . 2 . . . . 100 ARG HD3 . 18125 1 1080 . 1 1 101 101 ARG CA C 13 53.96 0.4 . 1 . . . . 100 ARG CA . 18125 1 1081 . 1 1 101 101 ARG CB C 13 33.88 0.4 . 1 . . . . 100 ARG CB . 18125 1 1082 . 1 1 101 101 ARG N N 15 131.69 0.4 . 1 . . . . 100 ARG N . 18125 1 1083 . 1 1 102 102 SER H H 1 9.33 0.02 . 1 . . . . 101 SER H . 18125 1 1084 . 1 1 102 102 SER HA H 1 4.89 0.02 . 1 . . . . 101 SER HA . 18125 1 1085 . 1 1 102 102 SER HB2 H 1 3.82 0.02 . 2 . . . . 101 SER HB2 . 18125 1 1086 . 1 1 102 102 SER HB3 H 1 3.68 0.02 . 2 . . . . 101 SER HB3 . 18125 1 1087 . 1 1 102 102 SER CA C 13 58.34 0.4 . 1 . . . . 101 SER CA . 18125 1 1088 . 1 1 102 102 SER CB C 13 65.3 0.4 . 1 . . . . 101 SER CB . 18125 1 1089 . 1 1 102 102 SER N N 15 123.47 0.4 . 1 . . . . 101 SER N . 18125 1 1090 . 1 1 103 103 SER H H 1 8.64 0.02 . 1 . . . . 102 SER H . 18125 1 1091 . 1 1 103 103 SER HA H 1 4.34 0.02 . 1 . . . . 102 SER HA . 18125 1 1092 . 1 1 103 103 SER HB2 H 1 3.68 0.02 . 2 . . . . 102 SER HB2 . 18125 1 1093 . 1 1 103 103 SER HB3 H 1 3.57 0.02 . 2 . . . . 102 SER HB3 . 18125 1 1094 . 1 1 103 103 SER CA C 13 57.77 0.4 . 1 . . . . 102 SER CA . 18125 1 1095 . 1 1 103 103 SER CB C 13 64.02 0.4 . 1 . . . . 102 SER CB . 18125 1 1096 . 1 1 103 103 SER N N 15 115.73 0.4 . 1 . . . . 102 SER N . 18125 1 1097 . 1 1 104 104 VAL H H 1 8.65 0.02 . 1 . . . . 103 VAL H . 18125 1 1098 . 1 1 104 104 VAL HA H 1 4.84 0.02 . 1 . . . . 103 VAL HA . 18125 1 1099 . 1 1 104 104 VAL HB H 1 2.45 0.02 . 1 . . . . 103 VAL HB . 18125 1 1100 . 1 1 104 104 VAL HG11 H 1 0.8 0.02 . 2 . . . . 103 VAL HG1 . 18125 1 1101 . 1 1 104 104 VAL HG12 H 1 0.8 0.02 . 2 . . . . 103 VAL HG1 . 18125 1 1102 . 1 1 104 104 VAL HG13 H 1 0.8 0.02 . 2 . . . . 103 VAL HG1 . 18125 1 1103 . 1 1 104 104 VAL HG21 H 1 0.88 0.02 . 2 . . . . 103 VAL HG2 . 18125 1 1104 . 1 1 104 104 VAL HG22 H 1 0.88 0.02 . 2 . . . . 103 VAL HG2 . 18125 1 1105 . 1 1 104 104 VAL HG23 H 1 0.88 0.02 . 2 . . . . 103 VAL HG2 . 18125 1 1106 . 1 1 104 104 VAL CA C 13 60.12 0.4 . 1 . . . . 103 VAL CA . 18125 1 1107 . 1 1 104 104 VAL CB C 13 34.41 0.4 . 1 . . . . 103 VAL CB . 18125 1 1108 . 1 1 104 104 VAL CG1 C 13 22.07 0.4 . 1 . . . . 103 VAL CG1 . 18125 1 1109 . 1 1 104 104 VAL CG2 C 13 18.95 0.4 . 1 . . . . 103 VAL CG2 . 18125 1 1110 . 1 1 104 104 VAL N N 15 121.02 0.4 . 1 . . . . 103 VAL N . 18125 1 1111 . 1 1 105 105 ASN H H 1 8.66 0.02 . 1 . . . . 104 ASN H . 18125 1 1112 . 1 1 105 105 ASN HA H 1 4.71 0.02 . 1 . . . . 104 ASN HA . 18125 1 1113 . 1 1 105 105 ASN HB2 H 1 2.88 0.02 . 2 . . . . 104 ASN HB2 . 18125 1 1114 . 1 1 105 105 ASN HB3 H 1 2.8 0.02 . 2 . . . . 104 ASN HB3 . 18125 1 1115 . 1 1 105 105 ASN CA C 13 55.63 0.4 . 1 . . . . 104 ASN CA . 18125 1 1116 . 1 1 105 105 ASN CB C 13 40.29 0.4 . 1 . . . . 104 ASN CB . 18125 1 1117 . 1 1 105 105 ASN N N 15 116.44 0.4 . 1 . . . . 104 ASN N . 18125 1 1118 . 1 1 106 106 ASP H H 1 7.54 0.02 . 1 . . . . 105 ASP H . 18125 1 1119 . 1 1 106 106 ASP HA H 1 5.02 0.02 . 1 . . . . 105 ASP HA . 18125 1 1120 . 1 1 106 106 ASP HB2 H 1 2.64 0.02 . 2 . . . . 105 ASP HB2 . 18125 1 1121 . 1 1 106 106 ASP HB3 H 1 2.59 0.02 . 2 . . . . 105 ASP HB3 . 18125 1 1122 . 1 1 106 106 ASP CA C 13 53.58 0.4 . 1 . . . . 105 ASP CA . 18125 1 1123 . 1 1 106 106 ASP CB C 13 46.66 0.4 . 1 . . . . 105 ASP CB . 18125 1 1124 . 1 1 106 106 ASP N N 15 116.24 0.4 . 1 . . . . 105 ASP N . 18125 1 1125 . 1 1 107 107 ILE H H 1 8.25 0.02 . 1 . . . . 106 ILE H . 18125 1 1126 . 1 1 107 107 ILE HA H 1 2.52 0.02 . 1 . . . . 106 ILE HA . 18125 1 1127 . 1 1 107 107 ILE HB H 1 1.08 0.02 . 1 . . . . 106 ILE HB . 18125 1 1128 . 1 1 107 107 ILE HG12 H 1 0.85 0.02 . 2 . . . . 106 ILE HG12 . 18125 1 1129 . 1 1 107 107 ILE HG13 H 1 0.67 0.02 . 2 . . . . 106 ILE HG13 . 18125 1 1130 . 1 1 107 107 ILE HG21 H 1 0.81 0.02 . 1 . . . . 106 ILE HG2 . 18125 1 1131 . 1 1 107 107 ILE HG22 H 1 0.81 0.02 . 1 . . . . 106 ILE HG2 . 18125 1 1132 . 1 1 107 107 ILE HG23 H 1 0.81 0.02 . 1 . . . . 106 ILE HG2 . 18125 1 1133 . 1 1 107 107 ILE HD11 H 1 0.74 0.02 . 1 . . . . 106 ILE HD1 . 18125 1 1134 . 1 1 107 107 ILE HD12 H 1 0.74 0.02 . 1 . . . . 106 ILE HD1 . 18125 1 1135 . 1 1 107 107 ILE HD13 H 1 0.74 0.02 . 1 . . . . 106 ILE HD1 . 18125 1 1136 . 1 1 107 107 ILE CA C 13 64.79 0.4 . 1 . . . . 106 ILE CA . 18125 1 1137 . 1 1 107 107 ILE CB C 13 39.39 0.4 . 1 . . . . 106 ILE CB . 18125 1 1138 . 1 1 107 107 ILE CG1 C 13 29.7 0.4 . 1 . . . . 106 ILE CG1 . 18125 1 1139 . 1 1 107 107 ILE CG2 C 13 16.03 0.4 . 1 . . . . 106 ILE CG2 . 18125 1 1140 . 1 1 107 107 ILE CD1 C 13 14.9 0.4 . 1 . . . . 106 ILE CD1 . 18125 1 1141 . 1 1 107 107 ILE N N 15 125.9 0.4 . 1 . . . . 106 ILE N . 18125 1 1142 . 1 1 108 108 GLY H H 1 8.94 0.02 . 1 . . . . 107 GLY H . 18125 1 1143 . 1 1 108 108 GLY HA2 H 1 4.28 0.02 . 2 . . . . 107 GLY HA2 . 18125 1 1144 . 1 1 108 108 GLY HA3 H 1 3.98 0.02 . 2 . . . . 107 GLY HA3 . 18125 1 1145 . 1 1 108 108 GLY CA C 13 47.3 0.4 . 1 . . . . 107 GLY CA . 18125 1 1146 . 1 1 108 108 GLY N N 15 111.87 0.4 . 1 . . . . 107 GLY N . 18125 1 1147 . 1 1 109 109 ASP H H 1 7.83 0.02 . 1 . . . . 108 ASP H . 18125 1 1148 . 1 1 109 109 ASP HA H 1 5 0.02 . 1 . . . . 108 ASP HA . 18125 1 1149 . 1 1 109 109 ASP HB2 H 1 2.84 0.02 . 2 . . . . 108 ASP HB2 . 18125 1 1150 . 1 1 109 109 ASP HB3 H 1 2.69 0.02 . 2 . . . . 108 ASP HB3 . 18125 1 1151 . 1 1 109 109 ASP CA C 13 54.76 0.4 . 1 . . . . 108 ASP CA . 18125 1 1152 . 1 1 109 109 ASP CB C 13 42.67 0.4 . 1 . . . . 108 ASP CB . 18125 1 1153 . 1 1 109 109 ASP N N 15 118.01 0.4 . 1 . . . . 108 ASP N . 18125 1 1154 . 1 1 110 110 ASP H H 1 7.61 0.02 . 1 . . . . 109 ASP H . 18125 1 1155 . 1 1 110 110 ASP HA H 1 4.09 0.02 . 1 . . . . 109 ASP HA . 18125 1 1156 . 1 1 110 110 ASP HB2 H 1 2.82 0.02 . 2 . . . . 109 ASP HB2 . 18125 1 1157 . 1 1 110 110 ASP HB3 H 1 2.65 0.02 . 2 . . . . 109 ASP HB3 . 18125 1 1158 . 1 1 110 110 ASP CA C 13 59.87 0.4 . 1 . . . . 109 ASP CA . 18125 1 1159 . 1 1 110 110 ASP CB C 13 45.11 0.4 . 1 . . . . 109 ASP CB . 18125 1 1160 . 1 1 110 110 ASP N N 15 120.56 0.4 . 1 . . . . 109 ASP N . 18125 1 1161 . 1 1 111 111 TRP H H 1 8.33 0.02 . 1 . . . . 110 TRP H . 18125 1 1162 . 1 1 111 111 TRP HA H 1 4.47 0.02 . 1 . . . . 110 TRP HA . 18125 1 1163 . 1 1 111 111 TRP HB2 H 1 3.58 0.02 . 2 . . . . 110 TRP HB2 . 18125 1 1164 . 1 1 111 111 TRP HB3 H 1 3.46 0.02 . 2 . . . . 110 TRP HB3 . 18125 1 1165 . 1 1 111 111 TRP HD1 H 1 7.79 0.02 . 1 . . . . 110 TRP HD1 . 18125 1 1166 . 1 1 111 111 TRP HE1 H 1 10.97 0.02 . 1 . . . . 110 TRP HE1 . 18125 1 1167 . 1 1 111 111 TRP HE3 H 1 7.19 0.02 . 1 . . . . 110 TRP HE3 . 18125 1 1168 . 1 1 111 111 TRP HZ2 H 1 7.01 0.02 . 1 . . . . 110 TRP HZ2 . 18125 1 1169 . 1 1 111 111 TRP HZ3 H 1 6.35 0.02 . 1 . . . . 110 TRP HZ3 . 18125 1 1170 . 1 1 111 111 TRP HH2 H 1 6.62 0.02 . 1 . . . . 110 TRP HH2 . 18125 1 1171 . 1 1 111 111 TRP CA C 13 59.48 0.4 . 1 . . . . 110 TRP CA . 18125 1 1172 . 1 1 111 111 TRP CB C 13 28.92 0.4 . 1 . . . . 110 TRP CB . 18125 1 1173 . 1 1 111 111 TRP CD1 C 13 128.05 0.4 . 1 . . . . 110 TRP CD1 . 18125 1 1174 . 1 1 111 111 TRP CE3 C 13 120.19 0.4 . 1 . . . . 110 TRP CE3 . 18125 1 1175 . 1 1 111 111 TRP CZ2 C 13 115.1 0.4 . 1 . . . . 110 TRP CZ2 . 18125 1 1176 . 1 1 111 111 TRP CZ3 C 13 120.89 0.4 . 1 . . . . 110 TRP CZ3 . 18125 1 1177 . 1 1 111 111 TRP CH2 C 13 123.6 0.4 . 1 . . . . 110 TRP CH2 . 18125 1 1178 . 1 1 111 111 TRP N N 15 114.92 0.4 . 1 . . . . 110 TRP N . 18125 1 1179 . 1 1 111 111 TRP NE1 N 15 131.63 0.4 . 1 . . . . 110 TRP NE1 . 18125 1 1180 . 1 1 112 112 LYS H H 1 6.3 0.02 . 1 . . . . 111 LYS H . 18125 1 1181 . 1 1 112 112 LYS HA H 1 3.8 0.02 . 1 . . . . 111 LYS HA . 18125 1 1182 . 1 1 112 112 LYS HB2 H 1 1.06 0.02 . 2 . . . . 111 LYS HB2 . 18125 1 1183 . 1 1 112 112 LYS HB3 H 1 -0.72 0.02 . 2 . . . . 111 LYS HB3 . 18125 1 1184 . 1 1 112 112 LYS HG2 H 1 0.47 0.02 . 2 . . . . 111 LYS HG2 . 18125 1 1185 . 1 1 112 112 LYS HG3 H 1 0.21 0.02 . 2 . . . . 111 LYS HG3 . 18125 1 1186 . 1 1 112 112 LYS HD2 H 1 1.22 0.02 . 2 . . . . 111 LYS HD2 . 18125 1 1187 . 1 1 112 112 LYS HD3 H 1 1.22 0.02 . 2 . . . . 111 LYS HD3 . 18125 1 1188 . 1 1 112 112 LYS HE2 H 1 2.69 0.02 . 2 . . . . 111 LYS HE2 . 18125 1 1189 . 1 1 112 112 LYS HE3 H 1 2.66 0.02 . 2 . . . . 111 LYS HE3 . 18125 1 1190 . 1 1 112 112 LYS CA C 13 56.32 0.4 . 1 . . . . 111 LYS CA . 18125 1 1191 . 1 1 112 112 LYS CB C 13 31.92 0.4 . 1 . . . . 111 LYS CB . 18125 1 1192 . 1 1 112 112 LYS CG C 13 22.84 0.4 . 1 . . . . 111 LYS CG . 18125 1 1193 . 1 1 112 112 LYS CD C 13 30.32 0.4 . 1 . . . . 111 LYS CD . 18125 1 1194 . 1 1 112 112 LYS CE C 13 42.38 0.4 . 1 . . . . 111 LYS CE . 18125 1 1195 . 1 1 112 112 LYS N N 15 116.92 0.4 . 1 . . . . 111 LYS N . 18125 1 1196 . 1 1 113 113 ALA H H 1 7.31 0.02 . 1 . . . . 112 ALA H . 18125 1 1197 . 1 1 113 113 ALA HA H 1 4 0.02 . 1 . . . . 112 ALA HA . 18125 1 1198 . 1 1 113 113 ALA HB1 H 1 1.56 0.02 . 1 . . . . 112 ALA HB . 18125 1 1199 . 1 1 113 113 ALA HB2 H 1 1.56 0.02 . 1 . . . . 112 ALA HB . 18125 1 1200 . 1 1 113 113 ALA HB3 H 1 1.56 0.02 . 1 . . . . 112 ALA HB . 18125 1 1201 . 1 1 113 113 ALA CA C 13 55.02 0.4 . 1 . . . . 112 ALA CA . 18125 1 1202 . 1 1 113 113 ALA CB C 13 22.61 0.4 . 1 . . . . 112 ALA CB . 18125 1 1203 . 1 1 113 113 ALA N N 15 120.41 0.4 . 1 . . . . 112 ALA N . 18125 1 1204 . 1 1 114 114 THR H H 1 9.05 0.02 . 1 . . . . 113 THR H . 18125 1 1205 . 1 1 114 114 THR HA H 1 5.2 0.02 . 1 . . . . 113 THR HA . 18125 1 1206 . 1 1 114 114 THR HB H 1 4.03 0.02 . 1 . . . . 113 THR HB . 18125 1 1207 . 1 1 114 114 THR HG21 H 1 1.01 0.02 . 1 . . . . 113 THR HG2 . 18125 1 1208 . 1 1 114 114 THR HG22 H 1 1.01 0.02 . 1 . . . . 113 THR HG2 . 18125 1 1209 . 1 1 114 114 THR HG23 H 1 1.01 0.02 . 1 . . . . 113 THR HG2 . 18125 1 1210 . 1 1 114 114 THR CA C 13 63.75 0.4 . 1 . . . . 113 THR CA . 18125 1 1211 . 1 1 114 114 THR CB C 13 69.62 0.4 . 1 . . . . 113 THR CB . 18125 1 1212 . 1 1 114 114 THR CG2 C 13 24.5 0.4 . 1 . . . . 113 THR CG2 . 18125 1 1213 . 1 1 114 114 THR N N 15 116.47 0.4 . 1 . . . . 113 THR N . 18125 1 1214 . 1 1 115 115 ARG H H 1 8.98 0.02 . 1 . . . . 114 ARG H . 18125 1 1215 . 1 1 115 115 ARG HA H 1 4.46 0.02 . 1 . . . . 114 ARG HA . 18125 1 1216 . 1 1 115 115 ARG HB2 H 1 1.93 0.02 . 2 . . . . 114 ARG HB2 . 18125 1 1217 . 1 1 115 115 ARG HB3 H 1 1.77 0.02 . 2 . . . . 114 ARG HB3 . 18125 1 1218 . 1 1 115 115 ARG HG2 H 1 1.55 0.02 . 2 . . . . 114 ARG HG2 . 18125 1 1219 . 1 1 115 115 ARG HG3 H 1 1.55 0.02 . 2 . . . . 114 ARG HG3 . 18125 1 1220 . 1 1 115 115 ARG HD2 H 1 3.03 0.02 . 2 . . . . 114 ARG HD2 . 18125 1 1221 . 1 1 115 115 ARG HD3 H 1 3.03 0.02 . 2 . . . . 114 ARG HD3 . 18125 1 1222 . 1 1 115 115 ARG CA C 13 57.53 0.4 . 1 . . . . 114 ARG CA . 18125 1 1223 . 1 1 115 115 ARG N N 15 126.85 0.4 . 1 . . . . 114 ARG N . 18125 1 1224 . 1 1 116 116 VAL H H 1 8.22 0.02 . 1 . . . . 115 VAL H . 18125 1 1225 . 1 1 116 116 VAL HA H 1 5.14 0.02 . 1 . . . . 115 VAL HA . 18125 1 1226 . 1 1 116 116 VAL HB H 1 1.59 0.02 . 1 . . . . 115 VAL HB . 18125 1 1227 . 1 1 116 116 VAL HG11 H 1 0.78 0.02 . 2 . . . . 115 VAL HG1 . 18125 1 1228 . 1 1 116 116 VAL HG12 H 1 0.78 0.02 . 2 . . . . 115 VAL HG1 . 18125 1 1229 . 1 1 116 116 VAL HG13 H 1 0.78 0.02 . 2 . . . . 115 VAL HG1 . 18125 1 1230 . 1 1 116 116 VAL HG21 H 1 0.48 0.02 . 2 . . . . 115 VAL HG2 . 18125 1 1231 . 1 1 116 116 VAL HG22 H 1 0.48 0.02 . 2 . . . . 115 VAL HG2 . 18125 1 1232 . 1 1 116 116 VAL HG23 H 1 0.48 0.02 . 2 . . . . 115 VAL HG2 . 18125 1 1233 . 1 1 116 116 VAL CA C 13 58.01 0.4 . 1 . . . . 115 VAL CA . 18125 1 1234 . 1 1 116 116 VAL CB C 13 36.46 0.4 . 1 . . . . 115 VAL CB . 18125 1 1235 . 1 1 116 116 VAL CG1 C 13 21.63 0.4 . 1 . . . . 115 VAL CG1 . 18125 1 1236 . 1 1 116 116 VAL CG2 C 13 19.8 0.4 . 1 . . . . 115 VAL CG2 . 18125 1 1237 . 1 1 116 116 VAL N N 15 118.8 0.4 . 1 . . . . 115 VAL N . 18125 1 1238 . 1 1 117 117 GLY H H 1 6.57 0.02 . 1 . . . . 116 GLY H . 18125 1 1239 . 1 1 117 117 GLY HA2 H 1 2.85 0.02 . 2 . . . . 116 GLY HA2 . 18125 1 1240 . 1 1 117 117 GLY HA3 H 1 3.43 0.02 . 2 . . . . 116 GLY HA3 . 18125 1 1241 . 1 1 117 117 GLY CA C 13 46.37 0.4 . 1 . . . . 116 GLY CA . 18125 1 1242 . 1 1 117 117 GLY N N 15 111.86 0.4 . 1 . . . . 116 GLY N . 18125 1 1243 . 1 1 118 118 TYR H H 1 7.75 0.02 . 1 . . . . 117 TYR H . 18125 1 1244 . 1 1 118 118 TYR HA H 1 5.29 0.02 . 1 . . . . 117 TYR HA . 18125 1 1245 . 1 1 118 118 TYR HB2 H 1 2.86 0.02 . 2 . . . . 117 TYR HB2 . 18125 1 1246 . 1 1 118 118 TYR HB3 H 1 2.54 0.02 . 2 . . . . 117 TYR HB3 . 18125 1 1247 . 1 1 118 118 TYR HD1 H 1 6.25 0.02 . 1 . . . . 117 TYR HD1 . 18125 1 1248 . 1 1 118 118 TYR HD2 H 1 6.25 0.02 . 1 . . . . 117 TYR HD2 . 18125 1 1249 . 1 1 118 118 TYR HE1 H 1 6.58 0.02 . 1 . . . . 117 TYR HE1 . 18125 1 1250 . 1 1 118 118 TYR HE2 H 1 6.58 0.02 . 1 . . . . 117 TYR HE2 . 18125 1 1251 . 1 1 118 118 TYR CA C 13 55.83 0.4 . 1 . . . . 117 TYR CA . 18125 1 1252 . 1 1 118 118 TYR CB C 13 45.09 0.4 . 1 . . . . 117 TYR CB . 18125 1 1253 . 1 1 118 118 TYR CD1 C 13 133.22 0.4 . 1 . . . . 117 TYR CD1 . 18125 1 1254 . 1 1 118 118 TYR CE1 C 13 118.47 0.4 . 1 . . . . 117 TYR CE1 . 18125 1 1255 . 1 1 118 118 TYR N N 15 115.75 0.4 . 1 . . . . 117 TYR N . 18125 1 1256 . 1 1 119 119 ASN H H 1 8.41 0.02 . 1 . . . . 118 ASN H . 18125 1 1257 . 1 1 119 119 ASN HA H 1 5.27 0.02 . 1 . . . . 118 ASN HA . 18125 1 1258 . 1 1 119 119 ASN HB2 H 1 2.59 0.02 . 2 . . . . 118 ASN HB2 . 18125 1 1259 . 1 1 119 119 ASN HB3 H 1 2.23 0.02 . 2 . . . . 118 ASN HB3 . 18125 1 1260 . 1 1 119 119 ASN CA C 13 56.19 0.4 . 1 . . . . 118 ASN CA . 18125 1 1261 . 1 1 119 119 ASN CB C 13 48.78 0.4 . 1 . . . . 118 ASN CB . 18125 1 1262 . 1 1 119 119 ASN N N 15 116.44 0.4 . 1 . . . . 118 ASN N . 18125 1 1263 . 1 1 120 120 ILE H H 1 9.15 0.02 . 1 . . . . 119 ILE H . 18125 1 1264 . 1 1 120 120 ILE HA H 1 5.35 0.02 . 1 . . . . 119 ILE HA . 18125 1 1265 . 1 1 120 120 ILE HB H 1 1.93 0.02 . 1 . . . . 119 ILE HB . 18125 1 1266 . 1 1 120 120 ILE HG12 H 1 1.82 0.02 . 2 . . . . 119 ILE HG12 . 18125 1 1267 . 1 1 120 120 ILE HG13 H 1 1.38 0.02 . 2 . . . . 119 ILE HG13 . 18125 1 1268 . 1 1 120 120 ILE HG21 H 1 1.11 0.02 . 1 . . . . 119 ILE HG2 . 18125 1 1269 . 1 1 120 120 ILE HG22 H 1 1.11 0.02 . 1 . . . . 119 ILE HG2 . 18125 1 1270 . 1 1 120 120 ILE HG23 H 1 1.11 0.02 . 1 . . . . 119 ILE HG2 . 18125 1 1271 . 1 1 120 120 ILE HD11 H 1 1.18 0.02 . 1 . . . . 119 ILE HD1 . 18125 1 1272 . 1 1 120 120 ILE HD12 H 1 1.18 0.02 . 1 . . . . 119 ILE HD1 . 18125 1 1273 . 1 1 120 120 ILE HD13 H 1 1.18 0.02 . 1 . . . . 119 ILE HD1 . 18125 1 1274 . 1 1 120 120 ILE CA C 13 61.47 0.4 . 1 . . . . 119 ILE CA . 18125 1 1275 . 1 1 120 120 ILE CB C 13 41.48 0.4 . 1 . . . . 119 ILE CB . 18125 1 1276 . 1 1 120 120 ILE CG1 C 13 30.08 0.4 . 1 . . . . 119 ILE CG1 . 18125 1 1277 . 1 1 120 120 ILE CG2 C 13 19.18 0.4 . 1 . . . . 119 ILE CG2 . 18125 1 1278 . 1 1 120 120 ILE CD1 C 13 15.17 0.4 . 1 . . . . 119 ILE CD1 . 18125 1 1279 . 1 1 120 120 ILE N N 15 124.18 0.4 . 1 . . . . 119 ILE N . 18125 1 1280 . 1 1 121 121 PHE H H 1 9.68 0.02 . 1 . . . . 120 PHE H . 18125 1 1281 . 1 1 121 121 PHE HA H 1 5.98 0.02 . 1 . . . . 120 PHE HA . 18125 1 1282 . 1 1 121 121 PHE HB2 H 1 3.08 0.02 . 2 . . . . 120 PHE HB2 . 18125 1 1283 . 1 1 121 121 PHE HB3 H 1 2.89 0.02 . 2 . . . . 120 PHE HB3 . 18125 1 1284 . 1 1 121 121 PHE HD1 H 1 7.11 0.02 . 1 . . . . 120 PHE HD1 . 18125 1 1285 . 1 1 121 121 PHE HD2 H 1 7.11 0.02 . 1 . . . . 120 PHE HD2 . 18125 1 1286 . 1 1 121 121 PHE HE1 H 1 7.44 0.02 . 1 . . . . 120 PHE HE1 . 18125 1 1287 . 1 1 121 121 PHE HE2 H 1 7.44 0.02 . 1 . . . . 120 PHE HE2 . 18125 1 1288 . 1 1 121 121 PHE CA C 13 56.48 0.4 . 1 . . . . 120 PHE CA . 18125 1 1289 . 1 1 121 121 PHE CB C 13 42.23 0.4 . 1 . . . . 120 PHE CB . 18125 1 1290 . 1 1 121 121 PHE CD1 C 13 133.08 0.4 . 1 . . . . 120 PHE CD1 . 18125 1 1291 . 1 1 121 121 PHE CD2 C 13 133.08 0.4 . 1 . . . . 120 PHE CD2 . 18125 1 1292 . 1 1 121 121 PHE CE1 C 13 130.04 0.4 . 1 . . . . 120 PHE CE1 . 18125 1 1293 . 1 1 121 121 PHE CE2 C 13 130.04 0.4 . 1 . . . . 120 PHE CE2 . 18125 1 1294 . 1 1 121 121 PHE N N 15 124.89 0.4 . 1 . . . . 120 PHE N . 18125 1 1295 . 1 1 122 122 THR H H 1 9.23 0.02 . 1 . . . . 121 THR H . 18125 1 1296 . 1 1 122 122 THR HA H 1 5.22 0.02 . 1 . . . . 121 THR HA . 18125 1 1297 . 1 1 122 122 THR HB H 1 4.57 0.02 . 1 . . . . 121 THR HB . 18125 1 1298 . 1 1 122 122 THR HG21 H 1 1.43 0.02 . 1 . . . . 121 THR HG2 . 18125 1 1299 . 1 1 122 122 THR HG22 H 1 1.43 0.02 . 1 . . . . 121 THR HG2 . 18125 1 1300 . 1 1 122 122 THR HG23 H 1 1.43 0.02 . 1 . . . . 121 THR HG2 . 18125 1 1301 . 1 1 122 122 THR CA C 13 60.85 0.4 . 1 . . . . 121 THR CA . 18125 1 1302 . 1 1 122 122 THR CB C 13 72.68 0.4 . 1 . . . . 121 THR CB . 18125 1 1303 . 1 1 122 122 THR CG2 C 13 22.8 0.4 . 1 . . . . 121 THR CG2 . 18125 1 1304 . 1 1 122 122 THR N N 15 111.08 0.4 . 1 . . . . 121 THR N . 18125 1 1305 . 1 1 123 123 ARG H H 1 8.99 0.02 . 1 . . . . 122 ARG H . 18125 1 1306 . 1 1 123 123 ARG HA H 1 3.88 0.02 . 1 . . . . 122 ARG HA . 18125 1 1307 . 1 1 123 123 ARG HB2 H 1 1.52 0.02 . 2 . . . . 122 ARG HB2 . 18125 1 1308 . 1 1 123 123 ARG HB3 H 1 1.43 0.02 . 2 . . . . 122 ARG HB3 . 18125 1 1309 . 1 1 123 123 ARG HG2 H 1 1.13 0.02 . 2 . . . . 122 ARG HG2 . 18125 1 1310 . 1 1 123 123 ARG HG3 H 1 0.68 0.02 . 2 . . . . 122 ARG HG3 . 18125 1 1311 . 1 1 123 123 ARG HD2 H 1 2.63 0.02 . 2 . . . . 122 ARG HD2 . 18125 1 1312 . 1 1 123 123 ARG HD3 H 1 2.35 0.02 . 2 . . . . 122 ARG HD3 . 18125 1 1313 . 1 1 123 123 ARG CA C 13 57.55 0.4 . 1 . . . . 122 ARG CA . 18125 1 1314 . 1 1 123 123 ARG CB C 13 31.13 0.4 . 1 . . . . 122 ARG CB . 18125 1 1315 . 1 1 123 123 ARG CG C 13 27.84 0.4 . 1 . . . . 122 ARG CG . 18125 1 1316 . 1 1 123 123 ARG CD C 13 43.07 0.4 . 1 . . . . 122 ARG CD . 18125 1 1317 . 1 1 123 123 ARG N N 15 121.91 0.4 . 1 . . . . 122 ARG N . 18125 1 1318 . 1 1 124 124 LEU H H 1 7.9 0.02 . 1 . . . . 123 LEU H . 18125 1 1319 . 1 1 124 124 LEU HA H 1 4.27 0.02 . 1 . . . . 123 LEU HA . 18125 1 1320 . 1 1 124 124 LEU HB2 H 1 1.46 0.02 . 2 . . . . 123 LEU HB2 . 18125 1 1321 . 1 1 124 124 LEU HB3 H 1 1.22 0.02 . 2 . . . . 123 LEU HB3 . 18125 1 1322 . 1 1 124 124 LEU HG H 1 1.45 0.02 . 1 . . . . 123 LEU HG . 18125 1 1323 . 1 1 124 124 LEU HD11 H 1 0.79 0.02 . 2 . . . . 123 LEU HD1 . 18125 1 1324 . 1 1 124 124 LEU HD12 H 1 0.79 0.02 . 2 . . . . 123 LEU HD1 . 18125 1 1325 . 1 1 124 124 LEU HD13 H 1 0.79 0.02 . 2 . . . . 123 LEU HD1 . 18125 1 1326 . 1 1 124 124 LEU HD21 H 1 0.83 0.02 . 2 . . . . 123 LEU HD2 . 18125 1 1327 . 1 1 124 124 LEU HD22 H 1 0.83 0.02 . 2 . . . . 123 LEU HD2 . 18125 1 1328 . 1 1 124 124 LEU HD23 H 1 0.83 0.02 . 2 . . . . 123 LEU HD2 . 18125 1 1329 . 1 1 124 124 LEU CA C 13 55.48 0.4 . 1 . . . . 123 LEU CA . 18125 1 1330 . 1 1 124 124 LEU CB C 13 43.7 0.4 . 1 . . . . 123 LEU CB . 18125 1 1331 . 1 1 124 124 LEU CG C 13 27.93 0.4 . 1 . . . . 123 LEU CG . 18125 1 1332 . 1 1 124 124 LEU CD1 C 13 25.36 0.4 . 1 . . . . 123 LEU CD1 . 18125 1 1333 . 1 1 124 124 LEU CD2 C 13 25.13 0.4 . 1 . . . . 123 LEU CD2 . 18125 1 1334 . 1 1 124 124 LEU N N 15 124.24 0.4 . 1 . . . . 123 LEU N . 18125 1 1335 . 1 1 125 125 ARG H H 1 8.28 0.02 . 1 . . . . 124 ARG H . 18125 1 1336 . 1 1 125 125 ARG HA H 1 4.39 0.02 . 1 . . . . 124 ARG HA . 18125 1 1337 . 1 1 125 125 ARG HB2 H 1 1.84 0.02 . 2 . . . . 124 ARG HB2 . 18125 1 1338 . 1 1 125 125 ARG HB3 H 1 1.75 0.02 . 2 . . . . 124 ARG HB3 . 18125 1 1339 . 1 1 125 125 ARG HG2 H 1 1.6 0.02 . 2 . . . . 124 ARG HG2 . 18125 1 1340 . 1 1 125 125 ARG HG3 H 1 1.6 0.02 . 2 . . . . 124 ARG HG3 . 18125 1 1341 . 1 1 125 125 ARG HD2 H 1 3.22 0.02 . 2 . . . . 124 ARG HD2 . 18125 1 1342 . 1 1 125 125 ARG HD3 H 1 3.22 0.02 . 2 . . . . 124 ARG HD3 . 18125 1 1343 . 1 1 125 125 ARG CA C 13 57 0.4 . 1 . . . . 124 ARG CA . 18125 1 1344 . 1 1 125 125 ARG CB C 13 31.85 0.4 . 1 . . . . 124 ARG CB . 18125 1 1345 . 1 1 125 125 ARG CG C 13 27.85 0.4 . 1 . . . . 124 ARG CG . 18125 1 1346 . 1 1 125 125 ARG CD C 13 44.15 0.4 . 1 . . . . 124 ARG CD . 18125 1 1347 . 1 1 125 125 ARG N N 15 123.91 0.4 . 1 . . . . 124 ARG N . 18125 1 1348 . 1 1 126 126 THR HA H 1 4.33 0.02 . 1 . . . . 125 THR HA . 18125 1 1349 . 1 1 126 126 THR HB H 1 4.23 0.02 . 1 . . . . 125 THR HB . 18125 1 1350 . 1 1 126 126 THR HG21 H 1 1.16 0.02 . 1 . . . . 125 THR HG2 . 18125 1 1351 . 1 1 126 126 THR HG22 H 1 1.16 0.02 . 1 . . . . 125 THR HG2 . 18125 1 1352 . 1 1 126 126 THR HG23 H 1 1.16 0.02 . 1 . . . . 125 THR HG2 . 18125 1 1353 . 1 1 126 126 THR CA C 13 62.17 0.4 . 1 . . . . 125 THR CA . 18125 1 1354 . 1 1 126 126 THR CB C 13 70.37 0.4 . 1 . . . . 125 THR CB . 18125 1 1355 . 1 1 126 126 THR CG2 C 13 22.32 0.4 . 1 . . . . 125 THR CG2 . 18125 1 1356 . 1 1 127 127 GLN HA H 1 4.37 0.02 . 1 . . . . 126 GLN HA . 18125 1 1357 . 1 1 127 127 GLN HB2 H 1 2.12 0.02 . 2 . . . . 126 GLN HB2 . 18125 1 1358 . 1 1 127 127 GLN HB3 H 1 1.99 0.02 . 2 . . . . 126 GLN HB3 . 18125 1 1359 . 1 1 127 127 GLN HG2 H 1 2.34 0.02 . 2 . . . . 126 GLN HG2 . 18125 1 1360 . 1 1 127 127 GLN HG3 H 1 2.34 0.02 . 2 . . . . 126 GLN HG3 . 18125 1 1361 . 1 1 127 127 GLN CA C 13 56.65 0.4 . 1 . . . . 126 GLN CA . 18125 1 1362 . 1 1 127 127 GLN CB C 13 30.5 0.4 . 1 . . . . 126 GLN CB . 18125 1 1363 . 1 1 127 127 GLN CG C 13 34.43 0.4 . 1 . . . . 126 GLN CG . 18125 1 1364 . 1 1 128 128 LYS H H 1 8.09 0.02 . 1 . . . . 127 LYS H . 18125 1 1365 . 1 1 128 128 LYS HA H 1 4.3 0.02 . 1 . . . . 127 LYS HA . 18125 1 1366 . 1 1 128 128 LYS HB2 H 1 1.84 0.02 . 2 . . . . 127 LYS HB2 . 18125 1 1367 . 1 1 128 128 LYS HB3 H 1 1.74 0.02 . 2 . . . . 127 LYS HB3 . 18125 1 1368 . 1 1 128 128 LYS HG2 H 1 1.42 0.02 . 2 . . . . 127 LYS HG2 . 18125 1 1369 . 1 1 128 128 LYS HG3 H 1 1.42 0.02 . 2 . . . . 127 LYS HG3 . 18125 1 1370 . 1 1 128 128 LYS HD2 H 1 1.68 0.02 . 2 . . . . 127 LYS HD2 . 18125 1 1371 . 1 1 128 128 LYS HD3 H 1 1.68 0.02 . 2 . . . . 127 LYS HD3 . 18125 1 1372 . 1 1 128 128 LYS HE2 H 1 3 0.02 . 2 . . . . 127 LYS HE2 . 18125 1 1373 . 1 1 128 128 LYS HE3 H 1 3 0.02 . 2 . . . . 127 LYS HE3 . 18125 1 1374 . 1 1 128 128 LYS CA C 13 57.16 0.4 . 1 . . . . 127 LYS CA . 18125 1 1375 . 1 1 128 128 LYS CB C 13 33.78 0.4 . 1 . . . . 127 LYS CB . 18125 1 1376 . 1 1 128 128 LYS CG C 13 25.25 0.4 . 1 . . . . 127 LYS CG . 18125 1 1377 . 1 1 128 128 LYS CD C 13 29.58 0.4 . 1 . . . . 127 LYS CD . 18125 1 1378 . 1 1 128 128 LYS CE C 13 42.72 0.4 . 1 . . . . 127 LYS CE . 18125 1 1379 . 1 1 128 128 LYS N N 15 121.88 0.4 . 1 . . . . 127 LYS N . 18125 1 1380 . 1 1 129 129 GLU H H 1 7.81 0.02 . 1 . . . . 128 GLU H . 18125 1 1381 . 1 1 129 129 GLU HA H 1 4.12 0.02 . 1 . . . . 128 GLU HA . 18125 1 1382 . 1 1 129 129 GLU HB2 H 1 2.03 0.02 . 2 . . . . 128 GLU HB2 . 18125 1 1383 . 1 1 129 129 GLU HB3 H 1 1.89 0.02 . 2 . . . . 128 GLU HB3 . 18125 1 1384 . 1 1 129 129 GLU HG2 H 1 2.17 0.02 . 2 . . . . 128 GLU HG2 . 18125 1 1385 . 1 1 129 129 GLU HG3 H 1 2.17 0.02 . 2 . . . . 128 GLU HG3 . 18125 1 1386 . 1 1 129 129 GLU CA C 13 58.75 0.4 . 1 . . . . 128 GLU CA . 18125 1 1387 . 1 1 129 129 GLU CB C 13 31.94 0.4 . 1 . . . . 128 GLU CB . 18125 1 1388 . 1 1 129 129 GLU CG C 13 37.32 0.4 . 1 . . . . 128 GLU CG . 18125 1 1389 . 1 1 129 129 GLU N N 15 127.08 0.4 . 1 . . . . 128 GLU N . 18125 1 stop_ save_