data_6911 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6911 _Entry.Title ; 13C, 15N and 1H assignment of the PDZ1 domain of hMAGI-1 using QUASI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-01 _Entry.Accession_date 2005-12-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sebastian Charbonnier . . . 6911 2 Marie-Aude Coutouly . . . 6911 3 Bruno Kieffer . . . 6911 4 Gilles Trave . . . 6911 5 R. Atkinson . Andrew . 6911 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . UMR7175 . 6911 . . UMR7104 . 6911 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6911 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 6911 '15N chemical shifts' 104 6911 '1H chemical shifts' 765 6911 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 . . 2007-02-08 2005-12-01 update BMRB 'complete entry citation' 6911 1 . . 2006-05-02 2005-12-01 original author 'original release' 6911 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6911 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16636753 _Citation.Full_citation . _Citation.Title '13C, 15N and 1H Resonance Assignment of the PDZ1 domain of MAGI-1 using QUASI' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 33 _Citation.Page_last 33 _Citation.Year 2006 _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 Sebastian Charbonnier . . . 6911 1 2 Marie-Aude Coutouly . . . 6911 1 3 Bruno Kieffer . . . 6911 1 4 Gilles Trave . . . 6911 1 5 R. Atkinson . Andrew . 6911 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Assignment 6911 1 MAGI-1 6911 1 PDZ1 6911 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6911 _Assembly.ID 1 _Assembly.Name 'MAGI-1 PDZ1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 13855.8 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6911 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MAGI-1 PDZ1' 1 $MAGI-1_PDZ1 . . yes native no no . . . 6911 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein-protein interaction domain' 6911 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MAGI-1_PDZ1 _Entity.Sf_category entity _Entity.Sf_framecode MAGI-1_PDZ1 _Entity.Entry_ID 6911 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'MAGI PDZ1' _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 ; GAMGKPFFTRNPSELKGKFI HTKLRKSSRGFGFTVVGGDE PDEFLQIKSLVLDGPAALDG KMETGDVIVSVNDTCVLGHT HAQVVKIFQSIPIGASVDLE LCRGYPLPFDPDDPNTSLVT SVAILDKEP ; _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 free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13855.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16558 . MAGI-1_PDZ1 . . . . . 100.00 129 100.00 100.00 7.89e-87 . . . . 6911 1 2 no BMRB 16559 . MAGI-1_PDZ1 . . . . . 100.00 129 100.00 100.00 7.89e-87 . . . . 6911 1 3 no PDB 2I04 . "X-Ray Crystal Structure Of Magi-1 Pdz1 Bound To The C- Terminal Peptide Of Hpv18 E6" . . . . . 65.12 85 100.00 100.00 8.57e-52 . . . . 6911 1 4 no PDB 2KPK . "Magi-1 Pdz1" . . . . . 100.00 129 100.00 100.00 7.89e-87 . . . . 6911 1 5 no PDB 2KPL . "Magi-1 Pdz1 E6CT" . . . . . 100.00 129 100.00 100.00 7.89e-87 . . . . 6911 1 6 no REF XP_006108887 . "PREDICTED: membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1-like, partial [Myotis lucifugus]" . . . . . 52.71 91 100.00 100.00 5.03e-40 . . . . 6911 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein-protein interaction' 6911 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 6911 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID MAGI-1 6911 1 PDZ1 6911 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 -4 GLY . 6911 1 2 -3 ALA . 6911 1 3 -2 MET . 6911 1 4 -1 GLY . 6911 1 5 1 LYS . 6911 1 6 2 PRO . 6911 1 7 3 PHE . 6911 1 8 4 PHE . 6911 1 9 5 THR . 6911 1 10 6 ARG . 6911 1 11 7 ASN . 6911 1 12 8 PRO . 6911 1 13 9 SER . 6911 1 14 10 GLU . 6911 1 15 11 LEU . 6911 1 16 12 LYS . 6911 1 17 13 GLY . 6911 1 18 14 LYS . 6911 1 19 15 PHE . 6911 1 20 16 ILE . 6911 1 21 17 HIS . 6911 1 22 18 THR . 6911 1 23 19 LYS . 6911 1 24 20 LEU . 6911 1 25 21 ARG . 6911 1 26 22 LYS . 6911 1 27 23 SER . 6911 1 28 24 SER . 6911 1 29 25 ARG . 6911 1 30 26 GLY . 6911 1 31 27 PHE . 6911 1 32 28 GLY . 6911 1 33 29 PHE . 6911 1 34 30 THR . 6911 1 35 31 VAL . 6911 1 36 32 VAL . 6911 1 37 33 GLY . 6911 1 38 34 GLY . 6911 1 39 35 ASP . 6911 1 40 36 GLU . 6911 1 41 37 PRO . 6911 1 42 38 ASP . 6911 1 43 39 GLU . 6911 1 44 40 PHE . 6911 1 45 41 LEU . 6911 1 46 42 GLN . 6911 1 47 43 ILE . 6911 1 48 44 LYS . 6911 1 49 45 SER . 6911 1 50 46 LEU . 6911 1 51 47 VAL . 6911 1 52 48 LEU . 6911 1 53 49 ASP . 6911 1 54 50 GLY . 6911 1 55 51 PRO . 6911 1 56 52 ALA . 6911 1 57 53 ALA . 6911 1 58 54 LEU . 6911 1 59 55 ASP . 6911 1 60 56 GLY . 6911 1 61 57 LYS . 6911 1 62 58 MET . 6911 1 63 59 GLU . 6911 1 64 60 THR . 6911 1 65 61 GLY . 6911 1 66 62 ASP . 6911 1 67 63 VAL . 6911 1 68 64 ILE . 6911 1 69 65 VAL . 6911 1 70 66 SER . 6911 1 71 67 VAL . 6911 1 72 68 ASN . 6911 1 73 69 ASP . 6911 1 74 70 THR . 6911 1 75 71 CYS . 6911 1 76 72 VAL . 6911 1 77 73 LEU . 6911 1 78 74 GLY . 6911 1 79 75 HIS . 6911 1 80 76 THR . 6911 1 81 77 HIS . 6911 1 82 78 ALA . 6911 1 83 79 GLN . 6911 1 84 80 VAL . 6911 1 85 81 VAL . 6911 1 86 82 LYS . 6911 1 87 83 ILE . 6911 1 88 84 PHE . 6911 1 89 85 GLN . 6911 1 90 86 SER . 6911 1 91 87 ILE . 6911 1 92 88 PRO . 6911 1 93 89 ILE . 6911 1 94 90 GLY . 6911 1 95 91 ALA . 6911 1 96 92 SER . 6911 1 97 93 VAL . 6911 1 98 94 ASP . 6911 1 99 95 LEU . 6911 1 100 96 GLU . 6911 1 101 97 LEU . 6911 1 102 98 CYS . 6911 1 103 99 ARG . 6911 1 104 100 GLY . 6911 1 105 101 TYR . 6911 1 106 102 PRO . 6911 1 107 103 LEU . 6911 1 108 104 PRO . 6911 1 109 105 PHE . 6911 1 110 106 ASP . 6911 1 111 107 PRO . 6911 1 112 108 ASP . 6911 1 113 109 ASP . 6911 1 114 110 PRO . 6911 1 115 111 ASN . 6911 1 116 112 THR . 6911 1 117 113 SER . 6911 1 118 114 LEU . 6911 1 119 115 VAL . 6911 1 120 116 THR . 6911 1 121 117 SER . 6911 1 122 118 VAL . 6911 1 123 119 ALA . 6911 1 124 120 ILE . 6911 1 125 121 LEU . 6911 1 126 122 ASP . 6911 1 127 123 LYS . 6911 1 128 124 GLU . 6911 1 129 125 PRO . 6911 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6911 1 . ALA 2 2 6911 1 . MET 3 3 6911 1 . GLY 4 4 6911 1 . LYS 5 5 6911 1 . PRO 6 6 6911 1 . PHE 7 7 6911 1 . PHE 8 8 6911 1 . THR 9 9 6911 1 . ARG 10 10 6911 1 . ASN 11 11 6911 1 . PRO 12 12 6911 1 . SER 13 13 6911 1 . GLU 14 14 6911 1 . LEU 15 15 6911 1 . LYS 16 16 6911 1 . GLY 17 17 6911 1 . LYS 18 18 6911 1 . PHE 19 19 6911 1 . ILE 20 20 6911 1 . HIS 21 21 6911 1 . THR 22 22 6911 1 . LYS 23 23 6911 1 . LEU 24 24 6911 1 . ARG 25 25 6911 1 . LYS 26 26 6911 1 . SER 27 27 6911 1 . SER 28 28 6911 1 . ARG 29 29 6911 1 . GLY 30 30 6911 1 . PHE 31 31 6911 1 . GLY 32 32 6911 1 . PHE 33 33 6911 1 . THR 34 34 6911 1 . VAL 35 35 6911 1 . VAL 36 36 6911 1 . GLY 37 37 6911 1 . GLY 38 38 6911 1 . ASP 39 39 6911 1 . GLU 40 40 6911 1 . PRO 41 41 6911 1 . ASP 42 42 6911 1 . GLU 43 43 6911 1 . PHE 44 44 6911 1 . LEU 45 45 6911 1 . GLN 46 46 6911 1 . ILE 47 47 6911 1 . LYS 48 48 6911 1 . SER 49 49 6911 1 . LEU 50 50 6911 1 . VAL 51 51 6911 1 . LEU 52 52 6911 1 . ASP 53 53 6911 1 . GLY 54 54 6911 1 . PRO 55 55 6911 1 . ALA 56 56 6911 1 . ALA 57 57 6911 1 . LEU 58 58 6911 1 . ASP 59 59 6911 1 . GLY 60 60 6911 1 . LYS 61 61 6911 1 . MET 62 62 6911 1 . GLU 63 63 6911 1 . THR 64 64 6911 1 . GLY 65 65 6911 1 . ASP 66 66 6911 1 . VAL 67 67 6911 1 . ILE 68 68 6911 1 . VAL 69 69 6911 1 . SER 70 70 6911 1 . VAL 71 71 6911 1 . ASN 72 72 6911 1 . ASP 73 73 6911 1 . THR 74 74 6911 1 . CYS 75 75 6911 1 . VAL 76 76 6911 1 . LEU 77 77 6911 1 . GLY 78 78 6911 1 . HIS 79 79 6911 1 . THR 80 80 6911 1 . HIS 81 81 6911 1 . ALA 82 82 6911 1 . GLN 83 83 6911 1 . VAL 84 84 6911 1 . VAL 85 85 6911 1 . LYS 86 86 6911 1 . ILE 87 87 6911 1 . PHE 88 88 6911 1 . GLN 89 89 6911 1 . SER 90 90 6911 1 . ILE 91 91 6911 1 . PRO 92 92 6911 1 . ILE 93 93 6911 1 . GLY 94 94 6911 1 . ALA 95 95 6911 1 . SER 96 96 6911 1 . VAL 97 97 6911 1 . ASP 98 98 6911 1 . LEU 99 99 6911 1 . GLU 100 100 6911 1 . LEU 101 101 6911 1 . CYS 102 102 6911 1 . ARG 103 103 6911 1 . GLY 104 104 6911 1 . TYR 105 105 6911 1 . PRO 106 106 6911 1 . LEU 107 107 6911 1 . PRO 108 108 6911 1 . PHE 109 109 6911 1 . ASP 110 110 6911 1 . PRO 111 111 6911 1 . ASP 112 112 6911 1 . ASP 113 113 6911 1 . PRO 114 114 6911 1 . ASN 115 115 6911 1 . THR 116 116 6911 1 . SER 117 117 6911 1 . LEU 118 118 6911 1 . VAL 119 119 6911 1 . THR 120 120 6911 1 . SER 121 121 6911 1 . VAL 122 122 6911 1 . ALA 123 123 6911 1 . ILE 124 124 6911 1 . LEU 125 125 6911 1 . ASP 126 126 6911 1 . LYS 127 127 6911 1 . GLU 128 128 6911 1 . PRO 129 129 6911 1 stop_ loop_ _Entity_citation.Citation_ID _Entity_citation.Citation_label _Entity_citation.Entry_ID _Entity_citation.Entity_ID 1 $citation_1 6911 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6911 _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 $MAGI-1_PDZ1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6911 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 6911 _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 $MAGI-1_PDZ1 . 'recombinant technology' . 'E. coli' BL21-DE3 . Escherichia coli BL21-DE3 . . . . . . . . . . . . plasmid . . PETM-41 . . . . . . 6911 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6911 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-labelled MAGI-1 PDZ1 domain in aqueous solution' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MAGI-1 PDZ1' '[U-100% 13C; U-100% 15N]' . . 1 $MAGI-1_PDZ1 . protein 0.125 . . mM 0.01 . . . 6911 1 2 Tris-HCl . . . . . . buffer 25 . . mM 0.1 . . . 6911 1 3 NaCl . . . . . . salt 50 . . mM 0.1 . . . 6911 1 stop_ loop_ _Sample_citation.Citation_ID _Sample_citation.Citation_label _Sample_citation.Entry_ID _Sample_citation.Sample_ID 1 $citation_1 6911 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6911 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.1 pH 6911 1 temperature 295 0.1 K 6911 1 stop_ loop_ _Sample_condition_citation.Citation_ID _Sample_condition_citation.Citation_label _Sample_condition_citation.Entry_ID _Sample_condition_citation.Sample_condition_list_ID 1 $citation_1 6911 1 stop_ save_ ############################ # Computer software used # ############################ save_Acquisition _Software.Sf_category software _Software.Sf_framecode Acquisition _Software.Entry_ID 6911 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 6911 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 6911 1 stop_ save_ save_Processing _Software.Sf_category software _Software.Sf_framecode Processing _Software.Entry_ID 6911 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 6911 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6911 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 6911 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID ETH . . 6911 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 6911 3 stop_ save_ save_Assignment _Software.Sf_category software _Software.Sf_framecode Assignment _Software.Entry_ID 6911 _Software.ID 4 _Software.Name QUASI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID UMR7104 . . 6911 4 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 6911 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; 13C, 15N, 2H, 1H cryoprobe z-gradients ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'DRX Avance' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6911 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 2 15N-edited_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 3 15N-edited_TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 4 1H13C_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 5 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 6 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 7 HN(CO)CACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 8 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 9 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 10 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 11 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 12 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 13 13C-edited_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6911 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6911 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6911 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6911 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6911 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6911 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 . 1H15N_HSQC 1 $sample_1 isotropic 6911 1 . 15N-edited_NOESY 1 $sample_1 isotropic 6911 1 . 15N-edited_TOCSY 1 $sample_1 isotropic 6911 1 . 1H13C_HSQC 1 $sample_1 isotropic 6911 1 . HN(CO)CA 1 $sample_1 isotropic 6911 1 . HNCA 1 $sample_1 isotropic 6911 1 . HN(CO)CACB 1 $sample_1 isotropic 6911 1 . HNCACB 1 $sample_1 isotropic 6911 1 . HNCO 1 $sample_1 isotropic 6911 1 . HN(CA)CO 1 $sample_1 isotropic 6911 1 . HCCH-COSY 1 $sample_1 isotropic 6911 1 . HCCH-TOCSY 1 $sample_1 isotropic 6911 1 . 13C-edited_NOESY 1 $sample_1 isotropic 6911 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 5 5 LYS HA H 1 4.236 0.004 . 1 . . . . 1 LYS HA . 6911 1 2 . 1 1 5 5 LYS HB2 H 1 1.447 0.004 . 1 . . . . 1 LYS QB . 6911 1 3 . 1 1 5 5 LYS HB3 H 1 1.447 0.004 . 1 . . . . 1 LYS QB . 6911 1 4 . 1 1 5 5 LYS HG2 H 1 1.435 0.004 . 2 . . . . 1 LYS HG2 . 6911 1 5 . 1 1 5 5 LYS HG3 H 1 1.202 0.004 . 2 . . . . 1 LYS HG3 . 6911 1 6 . 1 1 5 5 LYS HD2 H 1 1.651 0.004 . 1 . . . . 1 LYS QD . 6911 1 7 . 1 1 5 5 LYS HD3 H 1 1.651 0.004 . 1 . . . . 1 LYS QD . 6911 1 8 . 1 1 5 5 LYS HE2 H 1 3.036 0.004 . 2 . . . . 1 LYS HE2 . 6911 1 9 . 1 1 5 5 LYS HE3 H 1 2.974 0.004 . 2 . . . . 1 LYS HE3 . 6911 1 10 . 1 1 5 5 LYS CA C 13 52.749 0.010 . 1 . . . . 1 LYS CA . 6911 1 11 . 1 1 5 5 LYS CB C 13 31.251 0.010 . 1 . . . . 1 LYS CB . 6911 1 12 . 1 1 5 5 LYS CG C 13 23.251 0.010 . 1 . . . . 1 LYS CG . 6911 1 13 . 1 1 5 5 LYS CD C 13 26.251 0.010 . 1 . . . . 1 LYS CD . 6911 1 14 . 1 1 5 5 LYS CE C 13 40.250 0.010 . 1 . . . . 1 LYS CE . 6911 1 15 . 1 1 6 6 PRO HA H 1 4.398 0.004 . 1 . . . . 2 PRO HA . 6911 1 16 . 1 1 6 6 PRO HB2 H 1 2.265 0.004 . 2 . . . . 2 PRO HB2 . 6911 1 17 . 1 1 6 6 PRO HB3 H 1 1.809 0.004 . 2 . . . . 2 PRO HB3 . 6911 1 18 . 1 1 6 6 PRO HG2 H 1 2.003 0.004 . 2 . . . . 2 PRO HG2 . 6911 1 19 . 1 1 6 6 PRO HG3 H 1 1.961 0.004 . 2 . . . . 2 PRO HG3 . 6911 1 20 . 1 1 6 6 PRO HD2 H 1 3.911 0.004 . 2 . . . . 2 PRO HD2 . 6911 1 21 . 1 1 6 6 PRO HD3 H 1 3.345 0.004 . 2 . . . . 2 PRO HD3 . 6911 1 22 . 1 1 6 6 PRO CA C 13 60.498 0.010 . 1 . . . . 2 PRO CA . 6911 1 23 . 1 1 6 6 PRO CB C 13 29.751 0.010 . 1 . . . . 2 PRO CB . 6911 1 24 . 1 1 6 6 PRO CG C 13 25.251 0.010 . 1 . . . . 2 PRO CG . 6911 1 25 . 1 1 6 6 PRO CD C 13 47.999 0.010 . 1 . . . . 2 PRO CD . 6911 1 26 . 1 1 7 7 PHE H H 1 8.231 0.004 . 1 . . . . 3 PHE HN . 6911 1 27 . 1 1 7 7 PHE HA H 1 4.276 0.004 . 1 . . . . 3 PHE HA . 6911 1 28 . 1 1 7 7 PHE HB2 H 1 3.074 0.004 . 2 . . . . 3 PHE HB2 . 6911 1 29 . 1 1 7 7 PHE HB3 H 1 2.809 0.004 . 2 . . . . 3 PHE HB3 . 6911 1 30 . 1 1 7 7 PHE CA C 13 55.748 0.010 . 1 . . . . 3 PHE CA . 6911 1 31 . 1 1 7 7 PHE CB C 13 37.500 0.010 . 1 . . . . 3 PHE CB . 6911 1 32 . 1 1 7 7 PHE N N 15 121.076 0.010 . 1 . . . . 3 PHE N . 6911 1 33 . 1 1 8 8 PHE H H 1 8.143 0.004 . 1 . . . . 4 PHE HN . 6911 1 34 . 1 1 8 8 PHE HA H 1 4.715 0.004 . 1 . . . . 4 PHE HA . 6911 1 35 . 1 1 8 8 PHE HB2 H 1 2.650 0.004 . 2 . . . . 4 PHE HB2 . 6911 1 36 . 1 1 8 8 PHE HB3 H 1 2.381 0.004 . 2 . . . . 4 PHE HB3 . 6911 1 37 . 1 1 8 8 PHE CA C 13 47.999 0.010 . 1 . . . . 4 PHE CA . 6911 1 38 . 1 1 8 8 PHE CB C 13 40.000 0.010 . 1 . . . . 4 PHE CB . 6911 1 39 . 1 1 8 8 PHE N N 15 126.551 0.010 . 1 . . . . 4 PHE N . 6911 1 40 . 1 1 9 9 THR HA H 1 3.688 0.004 . 1 . . . . 5 THR HA . 6911 1 41 . 1 1 9 9 THR HB H 1 3.844 0.004 . 1 . . . . 5 THR HB . 6911 1 42 . 1 1 9 9 THR HG21 H 1 0.809 0.004 . 1 . . . . 5 THR QG2 . 6911 1 43 . 1 1 9 9 THR HG22 H 1 0.809 0.004 . 1 . . . . 5 THR QG2 . 6911 1 44 . 1 1 9 9 THR HG23 H 1 0.809 0.004 . 1 . . . . 5 THR QG2 . 6911 1 45 . 1 1 9 9 THR CA C 13 56.748 0.010 . 1 . . . . 5 THR CA . 6911 1 46 . 1 1 9 9 THR CB C 13 65.997 0.010 . 1 . . . . 5 THR CB . 6911 1 47 . 1 1 9 9 THR CG2 C 13 17.502 0.010 . 1 . . . . 5 THR CG2 . 6911 1 48 . 1 1 10 10 ARG H H 1 7.739 0.004 . 1 . . . . 6 ARG HN . 6911 1 49 . 1 1 10 10 ARG HA H 1 4.007 0.004 . 1 . . . . 6 ARG HA . 6911 1 50 . 1 1 10 10 ARG HB2 H 1 1.824 0.004 . 2 . . . . 6 ARG HB2 . 6911 1 51 . 1 1 10 10 ARG HB3 H 1 1.502 0.004 . 2 . . . . 6 ARG HB3 . 6911 1 52 . 1 1 10 10 ARG HG2 H 1 1.613 0.004 . 2 . . . . 6 ARG HG2 . 6911 1 53 . 1 1 10 10 ARG HG3 H 1 1.487 0.004 . 2 . . . . 6 ARG HG3 . 6911 1 54 . 1 1 10 10 ARG HD2 H 1 3.197 0.004 . 1 . . . . 6 ARG QD . 6911 1 55 . 1 1 10 10 ARG HD3 H 1 3.197 0.004 . 1 . . . . 6 ARG QD . 6911 1 56 . 1 1 10 10 ARG CA C 13 53.498 0.010 . 1 . . . . 6 ARG CA . 6911 1 57 . 1 1 10 10 ARG CB C 13 29.001 0.010 . 1 . . . . 6 ARG CB . 6911 1 58 . 1 1 10 10 ARG CG C 13 26.251 0.010 . 1 . . . . 6 ARG CG . 6911 1 59 . 1 1 10 10 ARG CD C 13 41.250 0.010 . 1 . . . . 6 ARG CD . 6911 1 60 . 1 1 10 10 ARG N N 15 119.603 0.010 . 1 . . . . 6 ARG N . 6911 1 61 . 1 1 11 11 ASN H H 1 8.452 0.004 . 1 . . . . 7 ASN HN . 6911 1 62 . 1 1 11 11 ASN HA H 1 5.009 0.004 . 1 . . . . 7 ASN HA . 6911 1 63 . 1 1 11 11 ASN HB2 H 1 2.707 0.004 . 2 . . . . 7 ASN HB2 . 6911 1 64 . 1 1 11 11 ASN HB3 H 1 2.484 0.004 . 2 . . . . 7 ASN HB3 . 6911 1 65 . 1 1 11 11 ASN CA C 13 46.999 0.010 . 1 . . . . 7 ASN CA . 6911 1 66 . 1 1 11 11 ASN CB C 13 37.250 0.010 . 1 . . . . 7 ASN CB . 6911 1 67 . 1 1 11 11 ASN N N 15 120.735 0.010 . 1 . . . . 7 ASN N . 6911 1 68 . 1 1 12 12 PRO HA H 1 4.095 0.004 . 1 . . . . 8 PRO HA . 6911 1 69 . 1 1 12 12 PRO HB2 H 1 2.094 0.004 . 2 . . . . 8 PRO HB2 . 6911 1 70 . 1 1 12 12 PRO HB3 H 1 1.769 0.004 . 2 . . . . 8 PRO HB3 . 6911 1 71 . 1 1 12 12 PRO HG2 H 1 1.877 0.004 . 2 . . . . 8 PRO HG2 . 6911 1 72 . 1 1 12 12 PRO HG3 H 1 1.846 0.004 . 2 . . . . 8 PRO HG3 . 6911 1 73 . 1 1 12 12 PRO HD2 H 1 3.658 0.004 . 2 . . . . 8 PRO HD2 . 6911 1 74 . 1 1 12 12 PRO HD3 H 1 3.563 0.004 . 2 . . . . 8 PRO HD3 . 6911 1 75 . 1 1 12 12 PRO CA C 13 62.498 0.010 . 1 . . . . 8 PRO CA . 6911 1 76 . 1 1 12 12 PRO CB C 13 29.751 0.010 . 1 . . . . 8 PRO CB . 6911 1 77 . 1 1 12 12 PRO CG C 13 25.001 0.010 . 1 . . . . 8 PRO CG . 6911 1 78 . 1 1 12 12 PRO CD C 13 47.999 0.010 . 1 . . . . 8 PRO CD . 6911 1 79 . 1 1 13 13 SER H H 1 7.827 0.004 . 1 . . . . 9 SER HN . 6911 1 80 . 1 1 13 13 SER HA H 1 4.181 0.004 . 1 . . . . 9 SER HA . 6911 1 81 . 1 1 13 13 SER HB2 H 1 3.799 0.004 . 1 . . . . 9 SER QB . 6911 1 82 . 1 1 13 13 SER HB3 H 1 3.799 0.004 . 1 . . . . 9 SER QB . 6911 1 83 . 1 1 13 13 SER CA C 13 58.248 0.010 . 1 . . . . 9 SER CA . 6911 1 84 . 1 1 13 13 SER CB C 13 60.498 0.010 . 1 . . . . 9 SER CB . 6911 1 85 . 1 1 13 13 SER N N 15 110.235 0.010 . 1 . . . . 9 SER N . 6911 1 86 . 1 1 14 14 GLU H H 1 7.958 0.004 . 1 . . . . 10 GLU HN . 6911 1 87 . 1 1 14 14 GLU HA H 1 4.243 0.004 . 1 . . . . 10 GLU HA . 6911 1 88 . 1 1 14 14 GLU HB2 H 1 2.257 0.004 . 2 . . . . 10 GLU HB2 . 6911 1 89 . 1 1 14 14 GLU HB3 H 1 2.212 0.004 . 2 . . . . 10 GLU HB3 . 6911 1 90 . 1 1 14 14 GLU HG2 H 1 2.197 0.004 . 2 . . . . 10 GLU HG2 . 6911 1 91 . 1 1 14 14 GLU HG3 H 1 2.114 0.004 . 2 . . . . 10 GLU HG3 . 6911 1 92 . 1 1 14 14 GLU CA C 13 53.498 0.010 . 1 . . . . 10 GLU CA . 6911 1 93 . 1 1 14 14 GLU CB C 13 28.251 0.010 . 1 . . . . 10 GLU CB . 6911 1 94 . 1 1 14 14 GLU CG C 13 34.750 0.010 . 1 . . . . 10 GLU CG . 6911 1 95 . 1 1 14 14 GLU N N 15 119.447 0.010 . 1 . . . . 10 GLU N . 6911 1 96 . 1 1 15 15 LEU H H 1 7.131 0.004 . 1 . . . . 11 LEU HN . 6911 1 97 . 1 1 15 15 LEU HA H 1 4.300 0.004 . 1 . . . . 11 LEU HA . 6911 1 98 . 1 1 15 15 LEU HB2 H 1 2.031 0.004 . 2 . . . . 11 LEU HB2 . 6911 1 99 . 1 1 15 15 LEU HB3 H 1 1.679 0.004 . 2 . . . . 11 LEU HB3 . 6911 1 100 . 1 1 15 15 LEU HG H 1 0.849 0.004 . 1 . . . . 11 LEU HG . 6911 1 101 . 1 1 15 15 LEU HD11 H 1 0.668 0.004 . 1 . . . . 11 LEU QQD . 6911 1 102 . 1 1 15 15 LEU HD12 H 1 0.668 0.004 . 1 . . . . 11 LEU QQD . 6911 1 103 . 1 1 15 15 LEU HD13 H 1 0.668 0.004 . 1 . . . . 11 LEU QQD . 6911 1 104 . 1 1 15 15 LEU HD21 H 1 0.668 0.004 . 1 . . . . 11 LEU QQD . 6911 1 105 . 1 1 15 15 LEU HD22 H 1 0.668 0.004 . 1 . . . . 11 LEU QQD . 6911 1 106 . 1 1 15 15 LEU HD23 H 1 0.668 0.004 . 1 . . . . 11 LEU QQD . 6911 1 107 . 1 1 15 15 LEU CA C 13 52.999 0.010 . 1 . . . . 11 LEU CA . 6911 1 108 . 1 1 15 15 LEU CB C 13 40.500 0.010 . 1 . . . . 11 LEU CB . 6911 1 109 . 1 1 15 15 LEU CG C 13 25.751 0.010 . 1 . . . . 11 LEU CG . 6911 1 110 . 1 1 15 15 LEU CD1 C 13 22.002 0.010 . 1 . . . . 11 LEU CD1 . 6911 1 111 . 1 1 15 15 LEU N N 15 119.681 0.010 . 1 . . . . 11 LEU N . 6911 1 112 . 1 1 16 16 LYS H H 1 8.228 0.004 . 1 . . . . 12 LYS HN . 6911 1 113 . 1 1 16 16 LYS HA H 1 4.431 0.004 . 1 . . . . 12 LYS HA . 6911 1 114 . 1 1 16 16 LYS HB2 H 1 1.520 0.004 . 2 . . . . 12 LYS HB2 . 6911 1 115 . 1 1 16 16 LYS HB3 H 1 1.414 0.004 . 2 . . . . 12 LYS HB3 . 6911 1 116 . 1 1 16 16 LYS HG2 H 1 1.258 0.004 . 2 . . . . 12 LYS HG2 . 6911 1 117 . 1 1 16 16 LYS HG3 H 1 1.156 0.004 . 2 . . . . 12 LYS HG3 . 6911 1 118 . 1 1 16 16 LYS HD2 H 1 1.464 0.004 . 1 . . . . 12 LYS QD . 6911 1 119 . 1 1 16 16 LYS HD3 H 1 1.464 0.004 . 1 . . . . 12 LYS QD . 6911 1 120 . 1 1 16 16 LYS HE2 H 1 2.815 0.004 . 1 . . . . 12 LYS QE . 6911 1 121 . 1 1 16 16 LYS HE3 H 1 2.815 0.004 . 1 . . . . 12 LYS QE . 6911 1 122 . 1 1 16 16 LYS CA C 13 51.999 0.010 . 1 . . . . 12 LYS CA . 6911 1 123 . 1 1 16 16 LYS CB C 13 31.001 0.010 . 1 . . . . 12 LYS CB . 6911 1 124 . 1 1 16 16 LYS CG C 13 22.252 0.010 . 1 . . . . 12 LYS CG . 6911 1 125 . 1 1 16 16 LYS CD C 13 26.501 0.010 . 1 . . . . 12 LYS CD . 6911 1 126 . 1 1 16 16 LYS CE C 13 39.750 0.010 . 1 . . . . 12 LYS CE . 6911 1 127 . 1 1 16 16 LYS N N 15 121.984 0.010 . 1 . . . . 12 LYS N . 6911 1 128 . 1 1 17 17 GLY H H 1 7.327 0.004 . 1 . . . . 13 GLY HN . 6911 1 129 . 1 1 17 17 GLY HA2 H 1 3.947 0.004 . 2 . . . . 13 GLY HA1 . 6911 1 130 . 1 1 17 17 GLY HA3 H 1 3.576 0.004 . 2 . . . . 13 GLY HA2 . 6911 1 131 . 1 1 17 17 GLY CA C 13 42.250 0.010 . 1 . . . . 13 GLY CA . 6911 1 132 . 1 1 17 17 GLY N N 15 106.488 0.010 . 1 . . . . 13 GLY N . 6911 1 133 . 1 1 18 18 LYS H H 1 7.977 0.004 . 1 . . . . 14 LYS HN . 6911 1 134 . 1 1 18 18 LYS HA H 1 4.442 0.004 . 1 . . . . 14 LYS HA . 6911 1 135 . 1 1 18 18 LYS HB2 H 1 1.557 0.004 . 1 . . . . 14 LYS QB . 6911 1 136 . 1 1 18 18 LYS HB3 H 1 1.557 0.004 . 1 . . . . 14 LYS QB . 6911 1 137 . 1 1 18 18 LYS HG2 H 1 1.321 0.004 . 2 . . . . 14 LYS HG2 . 6911 1 138 . 1 1 18 18 LYS HG3 H 1 1.182 0.004 . 2 . . . . 14 LYS HG3 . 6911 1 139 . 1 1 18 18 LYS HD2 H 1 1.508 0.004 . 1 . . . . 14 LYS QD . 6911 1 140 . 1 1 18 18 LYS HD3 H 1 1.508 0.004 . 1 . . . . 14 LYS QD . 6911 1 141 . 1 1 18 18 LYS HE2 H 1 2.831 0.004 . 1 . . . . 14 LYS QE . 6911 1 142 . 1 1 18 18 LYS HE3 H 1 2.831 0.004 . 1 . . . . 14 LYS QE . 6911 1 143 . 1 1 18 18 LYS CA C 13 51.999 0.010 . 1 . . . . 14 LYS CA . 6911 1 144 . 1 1 18 18 LYS CB C 13 32.751 0.010 . 1 . . . . 14 LYS CB . 6911 1 145 . 1 1 18 18 LYS CG C 13 22.252 0.010 . 1 . . . . 14 LYS CG . 6911 1 146 . 1 1 18 18 LYS CD C 13 27.001 0.010 . 1 . . . . 14 LYS CD . 6911 1 147 . 1 1 18 18 LYS CE C 13 39.500 0.010 . 1 . . . . 14 LYS CE . 6911 1 148 . 1 1 18 18 LYS N N 15 120.071 0.010 . 1 . . . . 14 LYS N . 6911 1 149 . 1 1 19 19 PHE H H 1 8.914 0.004 . 1 . . . . 15 PHE HN . 6911 1 150 . 1 1 19 19 PHE HA H 1 5.240 0.004 . 1 . . . . 15 PHE HA . 6911 1 151 . 1 1 19 19 PHE HB2 H 1 2.903 0.004 . 2 . . . . 15 PHE HB2 . 6911 1 152 . 1 1 19 19 PHE HB3 H 1 2.757 0.004 . 2 . . . . 15 PHE HB3 . 6911 1 153 . 1 1 19 19 PHE CA C 13 55.498 0.010 . 1 . . . . 15 PHE CA . 6911 1 154 . 1 1 19 19 PHE CB C 13 37.750 0.010 . 1 . . . . 15 PHE CB . 6911 1 155 . 1 1 19 19 PHE N N 15 124.872 0.010 . 1 . . . . 15 PHE N . 6911 1 156 . 1 1 20 20 ILE H H 1 8.798 0.004 . 1 . . . . 16 ILE HN . 6911 1 157 . 1 1 20 20 ILE HA H 1 4.219 0.004 . 1 . . . . 16 ILE HA . 6911 1 158 . 1 1 20 20 ILE HB H 1 1.396 0.004 . 1 . . . . 16 ILE HB . 6911 1 159 . 1 1 20 20 ILE HG12 H 1 1.156 0.004 . 2 . . . . 16 ILE HG12 . 6911 1 160 . 1 1 20 20 ILE HG13 H 1 1.072 0.004 . 2 . . . . 16 ILE HG13 . 6911 1 161 . 1 1 20 20 ILE HG21 H 1 0.614 0.004 . 1 . . . . 16 ILE QG2 . 6911 1 162 . 1 1 20 20 ILE HG22 H 1 0.614 0.004 . 1 . . . . 16 ILE QG2 . 6911 1 163 . 1 1 20 20 ILE HG23 H 1 0.614 0.004 . 1 . . . . 16 ILE QG2 . 6911 1 164 . 1 1 20 20 ILE HD11 H 1 0.531 0.004 . 1 . . . . 16 ILE QD1 . 6911 1 165 . 1 1 20 20 ILE HD12 H 1 0.531 0.004 . 1 . . . . 16 ILE QD1 . 6911 1 166 . 1 1 20 20 ILE HD13 H 1 0.531 0.004 . 1 . . . . 16 ILE QD1 . 6911 1 167 . 1 1 20 20 ILE CA C 13 57.248 0.010 . 1 . . . . 16 ILE CA . 6911 1 168 . 1 1 20 20 ILE CB C 13 39.500 0.010 . 1 . . . . 16 ILE CB . 6911 1 169 . 1 1 20 20 ILE CG1 C 13 25.501 0.010 . 1 . . . . 16 ILE CG1 . 6911 1 170 . 1 1 20 20 ILE CG2 C 13 16.002 0.010 . 1 . . . . 16 ILE CG2 . 6911 1 171 . 1 1 20 20 ILE CD1 C 13 11.503 0.010 . 1 . . . . 16 ILE CD1 . 6911 1 172 . 1 1 20 20 ILE N N 15 124.365 0.010 . 1 . . . . 16 ILE N . 6911 1 173 . 1 1 21 21 HIS H H 1 8.406 0.004 . 1 . . . . 17 HIS HN . 6911 1 174 . 1 1 21 21 HIS HA H 1 5.430 0.004 . 1 . . . . 17 HIS HA . 6911 1 175 . 1 1 21 21 HIS HB2 H 1 2.969 0.004 . 2 . . . . 17 HIS HB2 . 6911 1 176 . 1 1 21 21 HIS HB3 H 1 2.883 0.004 . 2 . . . . 17 HIS HB3 . 6911 1 177 . 1 1 21 21 HIS CA C 13 52.499 0.010 . 1 . . . . 17 HIS CA . 6911 1 178 . 1 1 21 21 HIS CB C 13 30.501 0.010 . 1 . . . . 17 HIS CB . 6911 1 179 . 1 1 21 21 HIS N N 15 125.536 0.010 . 1 . . . . 17 HIS N . 6911 1 180 . 1 1 22 22 THR H H 1 8.443 0.004 . 1 . . . . 18 THR HN . 6911 1 181 . 1 1 22 22 THR HA H 1 4.518 0.004 . 1 . . . . 18 THR HA . 6911 1 182 . 1 1 22 22 THR HB H 1 3.696 0.004 . 1 . . . . 18 THR HB . 6911 1 183 . 1 1 22 22 THR HG21 H 1 0.724 0.004 . 1 . . . . 18 THR QG2 . 6911 1 184 . 1 1 22 22 THR HG22 H 1 0.724 0.004 . 1 . . . . 18 THR QG2 . 6911 1 185 . 1 1 22 22 THR HG23 H 1 0.724 0.004 . 1 . . . . 18 THR QG2 . 6911 1 186 . 1 1 22 22 THR CA C 13 57.748 0.010 . 1 . . . . 18 THR CA . 6911 1 187 . 1 1 22 22 THR CB C 13 66.747 0.010 . 1 . . . . 18 THR CB . 6911 1 188 . 1 1 22 22 THR CG2 C 13 16.752 0.010 . 1 . . . . 18 THR CG2 . 6911 1 189 . 1 1 22 22 THR N N 15 116.285 0.010 . 1 . . . . 18 THR N . 6911 1 190 . 1 1 23 23 LYS H H 1 7.871 0.004 . 1 . . . . 19 LYS HN . 6911 1 191 . 1 1 23 23 LYS HA H 1 5.471 0.004 . 1 . . . . 19 LYS HA . 6911 1 192 . 1 1 23 23 LYS HB2 H 1 1.593 0.004 . 2 . . . . 19 LYS HB2 . 6911 1 193 . 1 1 23 23 LYS HB3 H 1 1.552 0.004 . 2 . . . . 19 LYS HB3 . 6911 1 194 . 1 1 23 23 LYS HG2 H 1 1.250 0.004 . 2 . . . . 19 LYS HG2 . 6911 1 195 . 1 1 23 23 LYS HG3 H 1 1.118 0.004 . 2 . . . . 19 LYS HG3 . 6911 1 196 . 1 1 23 23 LYS HD2 H 1 1.556 0.004 . 1 . . . . 19 LYS QD . 6911 1 197 . 1 1 23 23 LYS HD3 H 1 1.556 0.004 . 1 . . . . 19 LYS QD . 6911 1 198 . 1 1 23 23 LYS HE2 H 1 2.833 0.004 . 1 . . . . 19 LYS QE . 6911 1 199 . 1 1 23 23 LYS HE3 H 1 2.833 0.004 . 1 . . . . 19 LYS QE . 6911 1 200 . 1 1 23 23 LYS CA C 13 52.249 0.010 . 1 . . . . 19 LYS CA . 6911 1 201 . 1 1 23 23 LYS CB C 13 32.751 0.010 . 1 . . . . 19 LYS CB . 6911 1 202 . 1 1 23 23 LYS CG C 13 22.002 0.010 . 1 . . . . 19 LYS CG . 6911 1 203 . 1 1 23 23 LYS CD C 13 27.001 0.010 . 1 . . . . 19 LYS CD . 6911 1 204 . 1 1 23 23 LYS CE C 13 38.750 0.010 . 1 . . . . 19 LYS CE . 6911 1 205 . 1 1 23 23 LYS N N 15 126.355 0.010 . 1 . . . . 19 LYS N . 6911 1 206 . 1 1 24 24 LEU H H 1 8.434 0.004 . 1 . . . . 20 LEU HN . 6911 1 207 . 1 1 24 24 LEU HA H 1 4.864 0.004 . 1 . . . . 20 LEU HA . 6911 1 208 . 1 1 24 24 LEU HB2 H 1 1.585 0.004 . 2 . . . . 20 LEU HB2 . 6911 1 209 . 1 1 24 24 LEU HB3 H 1 1.295 0.004 . 2 . . . . 20 LEU HB3 . 6911 1 210 . 1 1 24 24 LEU HG H 1 0.776 0.004 . 1 . . . . 20 LEU HG . 6911 1 211 . 1 1 24 24 LEU HD11 H 1 1.413 0.004 . 2 . . . . 20 LEU QD1 . 6911 1 212 . 1 1 24 24 LEU HD12 H 1 1.413 0.004 . 2 . . . . 20 LEU QD1 . 6911 1 213 . 1 1 24 24 LEU HD13 H 1 1.413 0.004 . 2 . . . . 20 LEU QD1 . 6911 1 214 . 1 1 24 24 LEU HD21 H 1 0.808 0.004 . 2 . . . . 20 LEU QD2 . 6911 1 215 . 1 1 24 24 LEU HD22 H 1 0.808 0.004 . 2 . . . . 20 LEU QD2 . 6911 1 216 . 1 1 24 24 LEU HD23 H 1 0.808 0.004 . 2 . . . . 20 LEU QD2 . 6911 1 217 . 1 1 24 24 LEU CA C 13 50.249 0.010 . 1 . . . . 20 LEU CA . 6911 1 218 . 1 1 24 24 LEU CB C 13 44.499 0.010 . 1 . . . . 20 LEU CB . 6911 1 219 . 1 1 24 24 LEU CG C 13 24.251 0.010 . 1 . . . . 20 LEU CG . 6911 1 220 . 1 1 24 24 LEU CD1 C 13 24.501 0.010 . 2 . . . . 20 LEU CD1 . 6911 1 221 . 1 1 24 24 LEU CD2 C 13 21.502 0.010 . 2 . . . . 20 LEU CD2 . 6911 1 222 . 1 1 24 24 LEU N N 15 122.491 0.010 . 1 . . . . 20 LEU N . 6911 1 223 . 1 1 25 25 ARG H H 1 8.656 0.004 . 1 . . . . 21 ARG HN . 6911 1 224 . 1 1 25 25 ARG HA H 1 4.691 0.004 . 1 . . . . 21 ARG HA . 6911 1 225 . 1 1 25 25 ARG HB2 H 1 1.549 0.004 . 2 . . . . 21 ARG HB2 . 6911 1 226 . 1 1 25 25 ARG HB3 H 1 1.516 0.004 . 2 . . . . 21 ARG HB3 . 6911 1 227 . 1 1 25 25 ARG HG2 H 1 1.265 0.004 . 2 . . . . 21 ARG HG2 . 6911 1 228 . 1 1 25 25 ARG HG3 H 1 1.162 0.004 . 2 . . . . 21 ARG HG3 . 6911 1 229 . 1 1 25 25 ARG HD2 H 1 3.023 0.004 . 1 . . . . 21 ARG QD . 6911 1 230 . 1 1 25 25 ARG HD3 H 1 3.023 0.004 . 1 . . . . 21 ARG QD . 6911 1 231 . 1 1 25 25 ARG CA C 13 52.499 0.010 . 1 . . . . 21 ARG CA . 6911 1 232 . 1 1 25 25 ARG CB C 13 29.001 0.010 . 1 . . . . 21 ARG CB . 6911 1 233 . 1 1 25 25 ARG CG C 13 25.251 0.010 . 1 . . . . 21 ARG CG . 6911 1 234 . 1 1 25 25 ARG CD C 13 41.000 0.010 . 1 . . . . 21 ARG CD . 6911 1 235 . 1 1 25 25 ARG N N 15 123.311 0.010 . 1 . . . . 21 ARG N . 6911 1 236 . 1 1 26 26 LYS H H 1 8.699 0.004 . 1 . . . . 22 LYS HN . 6911 1 237 . 1 1 26 26 LYS HA H 1 2.999 0.004 . 1 . . . . 22 LYS HA . 6911 1 238 . 1 1 26 26 LYS HB2 H 1 1.735 0.004 . 2 . . . . 22 LYS HB2 . 6911 1 239 . 1 1 26 26 LYS HB3 H 1 1.133 0.004 . 2 . . . . 22 LYS HB3 . 6911 1 240 . 1 1 26 26 LYS HG2 H 1 1.180 0.004 . 2 . . . . 22 LYS HG2 . 6911 1 241 . 1 1 26 26 LYS HG3 H 1 -0.486 0.004 . 2 . . . . 22 LYS HG3 . 6911 1 242 . 1 1 26 26 LYS HD2 H 1 1.222 0.004 . 2 . . . . 22 LYS HD2 . 6911 1 243 . 1 1 26 26 LYS HD3 H 1 1.015 0.004 . 2 . . . . 22 LYS HD3 . 6911 1 244 . 1 1 26 26 LYS HE2 H 1 2.532 0.004 . 2 . . . . 22 LYS HE2 . 6911 1 245 . 1 1 26 26 LYS HE3 H 1 2.436 0.004 . 2 . . . . 22 LYS HE3 . 6911 1 246 . 1 1 26 26 LYS CA C 13 55.748 0.010 . 1 . . . . 22 LYS CA . 6911 1 247 . 1 1 26 26 LYS CB C 13 30.751 0.010 . 1 . . . . 22 LYS CB . 6911 1 248 . 1 1 26 26 LYS CG C 13 23.251 0.010 . 1 . . . . 22 LYS CG . 6911 1 249 . 1 1 26 26 LYS CD C 13 27.001 0.010 . 1 . . . . 22 LYS CD . 6911 1 250 . 1 1 26 26 LYS CE C 13 40.000 0.010 . 1 . . . . 22 LYS CE . 6911 1 251 . 1 1 26 26 LYS N N 15 126.511 0.010 . 1 . . . . 22 LYS N . 6911 1 252 . 1 1 27 27 SER H H 1 7.460 0.004 . 1 . . . . 23 SER HN . 6911 1 253 . 1 1 27 27 SER HA H 1 4.801 0.004 . 1 . . . . 23 SER HA . 6911 1 254 . 1 1 27 27 SER HB2 H 1 4.272 0.004 . 2 . . . . 23 SER HB2 . 6911 1 255 . 1 1 27 27 SER HB3 H 1 3.872 0.004 . 2 . . . . 23 SER HB3 . 6911 1 256 . 1 1 27 27 SER CA C 13 54.748 0.010 . 1 . . . . 23 SER CA . 6911 1 257 . 1 1 27 27 SER CB C 13 64.497 0.010 . 1 . . . . 23 SER CB . 6911 1 258 . 1 1 27 27 SER N N 15 125.419 0.010 . 1 . . . . 23 SER N . 6911 1 259 . 1 1 28 28 SER HA H 1 3.982 0.004 . 1 . . . . 24 SER HA . 6911 1 260 . 1 1 28 28 SER HB2 H 1 3.909 0.004 . 2 . . . . 24 SER HB2 . 6911 1 261 . 1 1 28 28 SER HB3 H 1 3.844 0.004 . 2 . . . . 24 SER HB3 . 6911 1 262 . 1 1 28 28 SER CA C 13 59.248 0.010 . 1 . . . . 24 SER CA . 6911 1 263 . 1 1 28 28 SER CB C 13 59.998 0.010 . 1 . . . . 24 SER CB . 6911 1 264 . 1 1 29 29 ARG HA H 1 4.412 0.004 . 1 . . . . 25 ARG HA . 6911 1 265 . 1 1 29 29 ARG HB2 H 1 1.934 0.004 . 2 . . . . 25 ARG HB2 . 6911 1 266 . 1 1 29 29 ARG HB3 H 1 1.339 0.004 . 2 . . . . 25 ARG HB3 . 6911 1 267 . 1 1 29 29 ARG HG2 H 1 1.474 0.004 . 2 . . . . 25 ARG HG2 . 6911 1 268 . 1 1 29 29 ARG HG3 H 1 1.431 0.004 . 2 . . . . 25 ARG HG3 . 6911 1 269 . 1 1 29 29 ARG HD2 H 1 3.027 0.004 . 1 . . . . 25 ARG QD . 6911 1 270 . 1 1 29 29 ARG HD3 H 1 3.027 0.004 . 1 . . . . 25 ARG QD . 6911 1 271 . 1 1 29 29 ARG CA C 13 52.749 0.010 . 1 . . . . 25 ARG CA . 6911 1 272 . 1 1 29 29 ARG CB C 13 27.751 0.010 . 1 . . . . 25 ARG CB . 6911 1 273 . 1 1 29 29 ARG CG C 13 24.751 0.010 . 1 . . . . 25 ARG CG . 6911 1 274 . 1 1 29 29 ARG CD C 13 41.000 0.010 . 1 . . . . 25 ARG CD . 6911 1 275 . 1 1 30 30 GLY HA2 H 1 4.313 0.004 . 2 . . . . 26 GLY HA1 . 6911 1 276 . 1 1 30 30 GLY HA3 H 1 3.433 0.004 . 2 . . . . 26 GLY HA2 . 6911 1 277 . 1 1 30 30 GLY CA C 13 42.500 0.010 . 1 . . . . 26 GLY CA . 6911 1 278 . 1 1 31 31 PHE HA H 1 4.409 0.004 . 1 . . . . 27 PHE HA . 6911 1 279 . 1 1 31 31 PHE HB2 H 1 3.108 0.004 . 2 . . . . 27 PHE HB2 . 6911 1 280 . 1 1 31 31 PHE HB3 H 1 2.065 0.004 . 2 . . . . 27 PHE HB3 . 6911 1 281 . 1 1 31 31 PHE CA C 13 57.248 0.010 . 1 . . . . 27 PHE CA . 6911 1 282 . 1 1 31 31 PHE CB C 13 39.000 0.010 . 1 . . . . 27 PHE CB . 6911 1 283 . 1 1 32 32 GLY HA2 H 1 4.167 0.004 . 2 . . . . 28 GLY HA1 . 6911 1 284 . 1 1 32 32 GLY HA3 H 1 3.816 0.004 . 2 . . . . 28 GLY HA2 . 6911 1 285 . 1 1 32 32 GLY CA C 13 43.749 0.010 . 1 . . . . 28 GLY CA . 6911 1 286 . 1 1 33 33 PHE H H 1 7.155 0.004 . 1 . . . . 29 PHE HN . 6911 1 287 . 1 1 33 33 PHE HA H 1 5.584 0.004 . 1 . . . . 29 PHE HA . 6911 1 288 . 1 1 33 33 PHE HB2 H 1 3.184 0.004 . 2 . . . . 29 PHE HB2 . 6911 1 289 . 1 1 33 33 PHE HB3 H 1 2.839 0.004 . 2 . . . . 29 PHE HB3 . 6911 1 290 . 1 1 33 33 PHE CA C 13 53.498 0.010 . 1 . . . . 29 PHE CA . 6911 1 291 . 1 1 33 33 PHE CB C 13 39.500 0.010 . 1 . . . . 29 PHE CB . 6911 1 292 . 1 1 33 33 PHE N N 15 115.582 0.010 . 1 . . . . 29 PHE N . 6911 1 293 . 1 1 34 34 THR H H 1 8.544 0.004 . 1 . . . . 30 THR HN . 6911 1 294 . 1 1 34 34 THR HA H 1 4.739 0.004 . 1 . . . . 30 THR HA . 6911 1 295 . 1 1 34 34 THR HB H 1 4.259 0.004 . 1 . . . . 30 THR HB . 6911 1 296 . 1 1 34 34 THR HG21 H 1 1.052 0.004 . 1 . . . . 30 THR QG2 . 6911 1 297 . 1 1 34 34 THR HG22 H 1 1.052 0.004 . 1 . . . . 30 THR QG2 . 6911 1 298 . 1 1 34 34 THR HG23 H 1 1.052 0.004 . 1 . . . . 30 THR QG2 . 6911 1 299 . 1 1 34 34 THR CA C 13 57.748 0.010 . 1 . . . . 30 THR CA . 6911 1 300 . 1 1 34 34 THR CB C 13 68.997 0.010 . 1 . . . . 30 THR CB . 6911 1 301 . 1 1 34 34 THR CG2 C 13 19.252 0.010 . 1 . . . . 30 THR CG2 . 6911 1 302 . 1 1 34 34 THR N N 15 113.123 0.010 . 1 . . . . 30 THR N . 6911 1 303 . 1 1 35 35 VAL H H 1 9.011 0.004 . 1 . . . . 31 VAL HN . 6911 1 304 . 1 1 35 35 VAL HA H 1 5.110 0.004 . 1 . . . . 31 VAL HA . 6911 1 305 . 1 1 35 35 VAL HB H 1 1.917 0.004 . 1 . . . . 31 VAL HB . 6911 1 306 . 1 1 35 35 VAL HG11 H 1 0.916 0.004 . 2 . . . . 31 VAL QG1 . 6911 1 307 . 1 1 35 35 VAL HG12 H 1 0.916 0.004 . 2 . . . . 31 VAL QG1 . 6911 1 308 . 1 1 35 35 VAL HG13 H 1 0.916 0.004 . 2 . . . . 31 VAL QG1 . 6911 1 309 . 1 1 35 35 VAL HG21 H 1 0.904 0.004 . 2 . . . . 31 VAL QG2 . 6911 1 310 . 1 1 35 35 VAL HG22 H 1 0.904 0.004 . 2 . . . . 31 VAL QG2 . 6911 1 311 . 1 1 35 35 VAL HG23 H 1 0.904 0.004 . 2 . . . . 31 VAL QG2 . 6911 1 312 . 1 1 35 35 VAL CA C 13 58.498 0.010 . 1 . . . . 31 VAL CA . 6911 1 313 . 1 1 35 35 VAL CB C 13 33.001 0.010 . 1 . . . . 31 VAL CB . 6911 1 314 . 1 1 35 35 VAL CG1 C 13 21.002 0.010 . 2 . . . . 31 VAL CG1 . 6911 1 315 . 1 1 35 35 VAL CG2 C 13 20.002 0.010 . 2 . . . . 31 VAL CG2 . 6911 1 316 . 1 1 35 35 VAL N N 15 122.179 0.010 . 1 . . . . 31 VAL N . 6911 1 317 . 1 1 36 36 VAL H H 1 9.330 0.004 . 1 . . . . 32 VAL HN . 6911 1 318 . 1 1 36 36 VAL HA H 1 4.668 0.004 . 1 . . . . 32 VAL HA . 6911 1 319 . 1 1 36 36 VAL HB H 1 2.032 0.004 . 1 . . . . 32 VAL HB . 6911 1 320 . 1 1 36 36 VAL HG11 H 1 0.931 0.004 . 2 . . . . 32 VAL QG1 . 6911 1 321 . 1 1 36 36 VAL HG12 H 1 0.931 0.004 . 2 . . . . 32 VAL QG1 . 6911 1 322 . 1 1 36 36 VAL HG13 H 1 0.931 0.004 . 2 . . . . 32 VAL QG1 . 6911 1 323 . 1 1 36 36 VAL HG21 H 1 0.803 0.004 . 2 . . . . 32 VAL QG2 . 6911 1 324 . 1 1 36 36 VAL HG22 H 1 0.803 0.004 . 2 . . . . 32 VAL QG2 . 6911 1 325 . 1 1 36 36 VAL HG23 H 1 0.803 0.004 . 2 . . . . 32 VAL QG2 . 6911 1 326 . 1 1 36 36 VAL CA C 13 57.248 0.010 . 1 . . . . 32 VAL CA . 6911 1 327 . 1 1 36 36 VAL CB C 13 33.250 0.010 . 1 . . . . 32 VAL CB . 6911 1 328 . 1 1 36 36 VAL CG1 C 13 18.002 0.010 . 2 . . . . 32 VAL CG1 . 6911 1 329 . 1 1 36 36 VAL CG2 C 13 18.252 0.010 . 2 . . . . 32 VAL CG2 . 6911 1 330 . 1 1 36 36 VAL N N 15 122.374 0.010 . 1 . . . . 32 VAL N . 6911 1 331 . 1 1 37 37 GLY H H 1 8.095 0.004 . 1 . . . . 33 GLY HN . 6911 1 332 . 1 1 37 37 GLY HA2 H 1 5.094 0.004 . 2 . . . . 33 GLY HA1 . 6911 1 333 . 1 1 37 37 GLY HA3 H 1 3.794 0.004 . 2 . . . . 33 GLY HA2 . 6911 1 334 . 1 1 37 37 GLY CA C 13 41.250 0.010 . 1 . . . . 33 GLY CA . 6911 1 335 . 1 1 37 37 GLY N N 15 110.352 0.010 . 1 . . . . 33 GLY N . 6911 1 336 . 1 1 38 38 GLY H H 1 7.547 0.004 . 1 . . . . 34 GLY HN . 6911 1 337 . 1 1 38 38 GLY HA2 H 1 3.952 0.004 . 1 . . . . 34 GLY QA . 6911 1 338 . 1 1 38 38 GLY HA3 H 1 3.952 0.004 . 1 . . . . 34 GLY QA . 6911 1 339 . 1 1 38 38 GLY CA C 13 44.249 0.010 . 1 . . . . 34 GLY CA . 6911 1 340 . 1 1 38 38 GLY N N 15 102.780 0.010 . 1 . . . . 34 GLY N . 6911 1 341 . 1 1 39 39 ASP H H 1 8.522 0.004 . 1 . . . . 35 ASP HN . 6911 1 342 . 1 1 39 39 ASP HA H 1 4.516 0.004 . 1 . . . . 35 ASP HA . 6911 1 343 . 1 1 39 39 ASP HB2 H 1 2.634 0.004 . 1 . . . . 35 ASP QB . 6911 1 344 . 1 1 39 39 ASP HB3 H 1 2.634 0.004 . 1 . . . . 35 ASP QB . 6911 1 345 . 1 1 39 39 ASP CA C 13 54.248 0.010 . 1 . . . . 35 ASP CA . 6911 1 346 . 1 1 39 39 ASP CB C 13 39.000 0.010 . 1 . . . . 35 ASP CB . 6911 1 347 . 1 1 39 39 ASP N N 15 120.696 0.010 . 1 . . . . 35 ASP N . 6911 1 348 . 1 1 40 40 GLU H H 1 7.428 0.004 . 1 . . . . 36 GLU HN . 6911 1 349 . 1 1 40 40 GLU HA H 1 4.447 0.004 . 1 . . . . 36 GLU HA . 6911 1 350 . 1 1 40 40 GLU HB2 H 1 1.934 0.004 . 2 . . . . 36 GLU HB2 . 6911 1 351 . 1 1 40 40 GLU HB3 H 1 1.427 0.004 . 2 . . . . 36 GLU HB3 . 6911 1 352 . 1 1 40 40 GLU HG2 H 1 2.100 0.004 . 2 . . . . 36 GLU HG2 . 6911 1 353 . 1 1 40 40 GLU HG3 H 1 2.011 0.004 . 2 . . . . 36 GLU HG3 . 6911 1 354 . 1 1 40 40 GLU CA C 13 50.749 0.010 . 1 . . . . 36 GLU CA . 6911 1 355 . 1 1 40 40 GLU CB C 13 29.001 0.010 . 1 . . . . 36 GLU CB . 6911 1 356 . 1 1 40 40 GLU CG C 13 33.500 0.010 . 1 . . . . 36 GLU CG . 6911 1 357 . 1 1 40 40 GLU N N 15 117.300 0.010 . 1 . . . . 36 GLU N . 6911 1 358 . 1 1 41 41 PRO HA H 1 3.981 0.004 . 1 . . . . 37 PRO HA . 6911 1 359 . 1 1 41 41 PRO HB2 H 1 2.097 0.004 . 2 . . . . 37 PRO HB2 . 6911 1 360 . 1 1 41 41 PRO HB3 H 1 1.623 0.004 . 2 . . . . 37 PRO HB3 . 6911 1 361 . 1 1 41 41 PRO HG2 H 1 1.791 0.004 . 2 . . . . 37 PRO HG2 . 6911 1 362 . 1 1 41 41 PRO HG3 H 1 1.705 0.004 . 2 . . . . 37 PRO HG3 . 6911 1 363 . 1 1 41 41 PRO HD2 H 1 3.489 0.004 . 1 . . . . 37 PRO QD . 6911 1 364 . 1 1 41 41 PRO HD3 H 1 3.489 0.004 . 1 . . . . 37 PRO QD . 6911 1 365 . 1 1 41 41 PRO CA C 13 60.998 0.010 . 1 . . . . 37 PRO CA . 6911 1 366 . 1 1 41 41 PRO CB C 13 29.501 0.010 . 1 . . . . 37 PRO CB . 6911 1 367 . 1 1 41 41 PRO CG C 13 25.251 0.010 . 1 . . . . 37 PRO CG . 6911 1 368 . 1 1 41 41 PRO CD C 13 47.999 0.010 . 1 . . . . 37 PRO CD . 6911 1 369 . 1 1 42 42 ASP H H 1 7.679 0.004 . 1 . . . . 38 ASP HN . 6911 1 370 . 1 1 42 42 ASP HA H 1 2.856 0.004 . 1 . . . . 38 ASP HA . 6911 1 371 . 1 1 42 42 ASP HB2 H 1 2.303 0.004 . 2 . . . . 38 ASP HB2 . 6911 1 372 . 1 1 42 42 ASP HB3 H 1 1.893 0.004 . 2 . . . . 38 ASP HB3 . 6911 1 373 . 1 1 42 42 ASP CA C 13 50.499 0.010 . 1 . . . . 38 ASP CA . 6911 1 374 . 1 1 42 42 ASP CB C 13 35.750 0.010 . 1 . . . . 38 ASP CB . 6911 1 375 . 1 1 42 42 ASP N N 15 115.973 0.010 . 1 . . . . 38 ASP N . 6911 1 376 . 1 1 43 43 GLU H H 1 6.943 0.004 . 1 . . . . 39 GLU HN . 6911 1 377 . 1 1 43 43 GLU HA H 1 4.013 0.004 . 1 . . . . 39 GLU HA . 6911 1 378 . 1 1 43 43 GLU HB2 H 1 1.862 0.004 . 2 . . . . 39 GLU HB2 . 6911 1 379 . 1 1 43 43 GLU HB3 H 1 1.586 0.004 . 2 . . . . 39 GLU HB3 . 6911 1 380 . 1 1 43 43 GLU HG2 H 1 2.045 0.004 . 2 . . . . 39 GLU HG2 . 6911 1 381 . 1 1 43 43 GLU HG3 H 1 1.962 0.004 . 2 . . . . 39 GLU HG3 . 6911 1 382 . 1 1 43 43 GLU CA C 13 51.749 0.010 . 1 . . . . 39 GLU CA . 6911 1 383 . 1 1 43 43 GLU CB C 13 31.501 0.010 . 1 . . . . 39 GLU CB . 6911 1 384 . 1 1 43 43 GLU CG C 13 33.750 0.010 . 1 . . . . 39 GLU CG . 6911 1 385 . 1 1 43 43 GLU N N 15 114.763 0.010 . 1 . . . . 39 GLU N . 6911 1 386 . 1 1 44 44 PHE H H 1 8.566 0.004 . 1 . . . . 40 PHE HN . 6911 1 387 . 1 1 44 44 PHE HA H 1 4.874 0.004 . 1 . . . . 40 PHE HA . 6911 1 388 . 1 1 44 44 PHE HB2 H 1 3.010 0.004 . 2 . . . . 40 PHE HB2 . 6911 1 389 . 1 1 44 44 PHE HB3 H 1 2.758 0.004 . 2 . . . . 40 PHE HB3 . 6911 1 390 . 1 1 44 44 PHE CA C 13 53.748 0.010 . 1 . . . . 40 PHE CA . 6911 1 391 . 1 1 44 44 PHE CB C 13 38.000 0.010 . 1 . . . . 40 PHE CB . 6911 1 392 . 1 1 44 44 PHE N N 15 121.086 0.010 . 1 . . . . 40 PHE N . 6911 1 393 . 1 1 45 45 LEU H H 1 9.254 0.004 . 1 . . . . 41 LEU HN . 6911 1 394 . 1 1 45 45 LEU HA H 1 4.849 0.004 . 1 . . . . 41 LEU HA . 6911 1 395 . 1 1 45 45 LEU HB2 H 1 1.937 0.004 . 2 . . . . 41 LEU HB2 . 6911 1 396 . 1 1 45 45 LEU HB3 H 1 1.043 0.004 . 2 . . . . 41 LEU HB3 . 6911 1 397 . 1 1 45 45 LEU HG H 1 0.763 0.004 . 1 . . . . 41 LEU HG . 6911 1 398 . 1 1 45 45 LEU HD11 H 1 0.805 0.004 . 2 . . . . 41 LEU QD1 . 6911 1 399 . 1 1 45 45 LEU HD12 H 1 0.805 0.004 . 2 . . . . 41 LEU QD1 . 6911 1 400 . 1 1 45 45 LEU HD13 H 1 0.805 0.004 . 2 . . . . 41 LEU QD1 . 6911 1 401 . 1 1 45 45 LEU HD21 H 1 0.683 0.004 . 2 . . . . 41 LEU QD2 . 6911 1 402 . 1 1 45 45 LEU HD22 H 1 0.683 0.004 . 2 . . . . 41 LEU QD2 . 6911 1 403 . 1 1 45 45 LEU HD23 H 1 0.683 0.004 . 2 . . . . 41 LEU QD2 . 6911 1 404 . 1 1 45 45 LEU CA C 13 51.249 0.010 . 1 . . . . 41 LEU CA . 6911 1 405 . 1 1 45 45 LEU CB C 13 40.500 0.010 . 1 . . . . 41 LEU CB . 6911 1 406 . 1 1 45 45 LEU CG C 13 24.251 0.010 . 1 . . . . 41 LEU CG . 6911 1 407 . 1 1 45 45 LEU CD1 C 13 24.501 0.010 . 2 . . . . 41 LEU CD1 . 6911 1 408 . 1 1 45 45 LEU CD2 C 13 21.252 0.010 . 2 . . . . 41 LEU CD2 . 6911 1 409 . 1 1 45 45 LEU N N 15 122.999 0.010 . 1 . . . . 41 LEU N . 6911 1 410 . 1 1 46 46 GLN H H 1 9.120 0.004 . 1 . . . . 42 GLN HN . 6911 1 411 . 1 1 46 46 GLN HA H 1 5.547 0.004 . 1 . . . . 42 GLN HA . 6911 1 412 . 1 1 46 46 GLN HB2 H 1 1.574 0.004 . 2 . . . . 42 GLN HB2 . 6911 1 413 . 1 1 46 46 GLN HB3 H 1 1.459 0.004 . 2 . . . . 42 GLN HB3 . 6911 1 414 . 1 1 46 46 GLN HG2 H 1 2.097 0.004 . 2 . . . . 42 GLN HG2 . 6911 1 415 . 1 1 46 46 GLN HG3 H 1 1.721 0.004 . 2 . . . . 42 GLN HG3 . 6911 1 416 . 1 1 46 46 GLN CA C 13 50.499 0.010 . 1 . . . . 42 GLN CA . 6911 1 417 . 1 1 46 46 GLN CB C 13 34.250 0.010 . 1 . . . . 42 GLN CB . 6911 1 418 . 1 1 46 46 GLN CG C 13 35.500 0.010 . 1 . . . . 42 GLN CG . 6911 1 419 . 1 1 46 46 GLN N N 15 120.579 0.010 . 1 . . . . 42 GLN N . 6911 1 420 . 1 1 47 47 ILE H H 1 8.512 0.004 . 1 . . . . 43 ILE HN . 6911 1 421 . 1 1 47 47 ILE HA H 1 4.071 0.004 . 1 . . . . 43 ILE HA . 6911 1 422 . 1 1 47 47 ILE HB H 1 2.113 0.004 . 1 . . . . 43 ILE HB . 6911 1 423 . 1 1 47 47 ILE HG12 H 1 1.515 0.004 . 2 . . . . 43 ILE HG12 . 6911 1 424 . 1 1 47 47 ILE HG13 H 1 0.987 0.004 . 2 . . . . 43 ILE HG13 . 6911 1 425 . 1 1 47 47 ILE HG21 H 1 0.554 0.004 . 1 . . . . 43 ILE QG2 . 6911 1 426 . 1 1 47 47 ILE HG22 H 1 0.554 0.004 . 1 . . . . 43 ILE QG2 . 6911 1 427 . 1 1 47 47 ILE HG23 H 1 0.554 0.004 . 1 . . . . 43 ILE QG2 . 6911 1 428 . 1 1 47 47 ILE HD11 H 1 0.044 0.004 . 1 . . . . 43 ILE QD1 . 6911 1 429 . 1 1 47 47 ILE HD12 H 1 0.044 0.004 . 1 . . . . 43 ILE QD1 . 6911 1 430 . 1 1 47 47 ILE HD13 H 1 0.044 0.004 . 1 . . . . 43 ILE QD1 . 6911 1 431 . 1 1 47 47 ILE CA C 13 56.748 0.010 . 1 . . . . 43 ILE CA . 6911 1 432 . 1 1 47 47 ILE CB C 13 33.001 0.010 . 1 . . . . 43 ILE CB . 6911 1 433 . 1 1 47 47 ILE CG1 C 13 23.751 0.010 . 1 . . . . 43 ILE CG1 . 6911 1 434 . 1 1 47 47 ILE CG2 C 13 15.002 0.010 . 1 . . . . 43 ILE CG2 . 6911 1 435 . 1 1 47 47 ILE CD1 C 13 7.753 0.010 . 1 . . . . 43 ILE CD1 . 6911 1 436 . 1 1 47 47 ILE N N 15 118.978 0.010 . 1 . . . . 43 ILE N . 6911 1 437 . 1 1 48 48 LYS H H 1 9.175 0.004 . 1 . . . . 44 LYS HN . 6911 1 438 . 1 1 48 48 LYS HA H 1 4.386 0.004 . 1 . . . . 44 LYS HA . 6911 1 439 . 1 1 48 48 LYS HB2 H 1 1.820 0.004 . 2 . . . . 44 LYS HB2 . 6911 1 440 . 1 1 48 48 LYS HB3 H 1 1.513 0.004 . 2 . . . . 44 LYS HB3 . 6911 1 441 . 1 1 48 48 LYS CA C 13 53.998 0.010 . 1 . . . . 44 LYS CA . 6911 1 442 . 1 1 48 48 LYS CB C 13 31.501 0.010 . 1 . . . . 44 LYS CB . 6911 1 443 . 1 1 48 48 LYS N N 15 131.586 0.010 . 1 . . . . 44 LYS N . 6911 1 444 . 1 1 49 49 SER H H 1 7.297 0.004 . 1 . . . . 45 SER HN . 6911 1 445 . 1 1 49 49 SER HA H 1 4.506 0.004 . 1 . . . . 45 SER HA . 6911 1 446 . 1 1 49 49 SER HB2 H 1 3.648 0.004 . 1 . . . . 45 SER QB . 6911 1 447 . 1 1 49 49 SER HB3 H 1 3.648 0.004 . 1 . . . . 45 SER QB . 6911 1 448 . 1 1 49 49 SER CA C 13 54.748 0.010 . 1 . . . . 45 SER CA . 6911 1 449 . 1 1 49 49 SER CB C 13 62.998 0.010 . 1 . . . . 45 SER CB . 6911 1 450 . 1 1 49 49 SER N N 15 109.728 0.010 . 1 . . . . 45 SER N . 6911 1 451 . 1 1 50 50 LEU H H 1 8.500 0.004 . 1 . . . . 46 LEU HN . 6911 1 452 . 1 1 50 50 LEU HA H 1 4.911 0.004 . 1 . . . . 46 LEU HA . 6911 1 453 . 1 1 50 50 LEU HB2 H 1 1.583 0.004 . 2 . . . . 46 LEU HB2 . 6911 1 454 . 1 1 50 50 LEU HB3 H 1 1.187 0.004 . 2 . . . . 46 LEU HB3 . 6911 1 455 . 1 1 50 50 LEU HG H 1 1.385 0.004 . 1 . . . . 46 LEU HG . 6911 1 456 . 1 1 50 50 LEU HD11 H 1 0.651 0.004 . 2 . . . . 46 LEU QD1 . 6911 1 457 . 1 1 50 50 LEU HD12 H 1 0.651 0.004 . 2 . . . . 46 LEU QD1 . 6911 1 458 . 1 1 50 50 LEU HD13 H 1 0.651 0.004 . 2 . . . . 46 LEU QD1 . 6911 1 459 . 1 1 50 50 LEU HD21 H 1 0.579 0.004 . 2 . . . . 46 LEU QD2 . 6911 1 460 . 1 1 50 50 LEU HD22 H 1 0.579 0.004 . 2 . . . . 46 LEU QD2 . 6911 1 461 . 1 1 50 50 LEU HD23 H 1 0.579 0.004 . 2 . . . . 46 LEU QD2 . 6911 1 462 . 1 1 50 50 LEU CA C 13 51.499 0.010 . 1 . . . . 46 LEU CA . 6911 1 463 . 1 1 50 50 LEU CB C 13 42.000 0.010 . 1 . . . . 46 LEU CB . 6911 1 464 . 1 1 50 50 LEU CG C 13 25.501 0.010 . 1 . . . . 46 LEU CG . 6911 1 465 . 1 1 50 50 LEU CD1 C 13 23.501 0.010 . 2 . . . . 46 LEU CD1 . 6911 1 466 . 1 1 50 50 LEU CD2 C 13 23.501 0.010 . 2 . . . . 46 LEU CD2 . 6911 1 467 . 1 1 50 50 LEU N N 15 120.634 0.010 . 1 . . . . 46 LEU N . 6911 1 468 . 1 1 51 51 VAL H H 1 7.533 0.004 . 1 . . . . 47 VAL HN . 6911 1 469 . 1 1 51 51 VAL HA H 1 3.862 0.004 . 1 . . . . 47 VAL HA . 6911 1 470 . 1 1 51 51 VAL HB H 1 1.646 0.004 . 1 . . . . 47 VAL HB . 6911 1 471 . 1 1 51 51 VAL HG11 H 1 0.883 0.004 . 2 . . . . 47 VAL QG1 . 6911 1 472 . 1 1 51 51 VAL HG12 H 1 0.883 0.004 . 2 . . . . 47 VAL QG1 . 6911 1 473 . 1 1 51 51 VAL HG13 H 1 0.883 0.004 . 2 . . . . 47 VAL QG1 . 6911 1 474 . 1 1 51 51 VAL HG21 H 1 0.783 0.004 . 2 . . . . 47 VAL QG2 . 6911 1 475 . 1 1 51 51 VAL HG22 H 1 0.783 0.004 . 2 . . . . 47 VAL QG2 . 6911 1 476 . 1 1 51 51 VAL HG23 H 1 0.783 0.004 . 2 . . . . 47 VAL QG2 . 6911 1 477 . 1 1 51 51 VAL CA C 13 59.748 0.010 . 1 . . . . 47 VAL CA . 6911 1 478 . 1 1 51 51 VAL CB C 13 30.501 0.010 . 1 . . . . 47 VAL CB . 6911 1 479 . 1 1 51 51 VAL CG1 C 13 18.502 0.010 . 2 . . . . 47 VAL CG1 . 6911 1 480 . 1 1 51 51 VAL CG2 C 13 18.502 0.010 . 2 . . . . 47 VAL CG2 . 6911 1 481 . 1 1 51 51 VAL N N 15 122.569 0.010 . 1 . . . . 47 VAL N . 6911 1 482 . 1 1 52 52 LEU H H 1 8.777 0.004 . 1 . . . . 48 LEU HN . 6911 1 483 . 1 1 52 52 LEU HA H 1 3.819 0.004 . 1 . . . . 48 LEU HA . 6911 1 484 . 1 1 52 52 LEU HB2 H 1 1.562 0.004 . 2 . . . . 48 LEU HB2 . 6911 1 485 . 1 1 52 52 LEU HB3 H 1 1.435 0.004 . 2 . . . . 48 LEU HB3 . 6911 1 486 . 1 1 52 52 LEU HG H 1 1.552 0.004 . 1 . . . . 48 LEU HG . 6911 1 487 . 1 1 52 52 LEU HD11 H 1 0.827 0.004 . 2 . . . . 48 LEU QD1 . 6911 1 488 . 1 1 52 52 LEU HD12 H 1 0.827 0.004 . 2 . . . . 48 LEU QD1 . 6911 1 489 . 1 1 52 52 LEU HD13 H 1 0.827 0.004 . 2 . . . . 48 LEU QD1 . 6911 1 490 . 1 1 52 52 LEU HD21 H 1 0.782 0.004 . 2 . . . . 48 LEU QD2 . 6911 1 491 . 1 1 52 52 LEU HD22 H 1 0.782 0.004 . 2 . . . . 48 LEU QD2 . 6911 1 492 . 1 1 52 52 LEU HD23 H 1 0.782 0.004 . 2 . . . . 48 LEU QD2 . 6911 1 493 . 1 1 52 52 LEU CA C 13 55.498 0.010 . 1 . . . . 48 LEU CA . 6911 1 494 . 1 1 52 52 LEU CB C 13 39.500 0.010 . 1 . . . . 48 LEU CB . 6911 1 495 . 1 1 52 52 LEU CG C 13 24.501 0.010 . 1 . . . . 48 LEU CG . 6911 1 496 . 1 1 52 52 LEU CD1 C 13 22.252 0.010 . 2 . . . . 48 LEU CD1 . 6911 1 497 . 1 1 52 52 LEU CD2 C 13 21.752 0.010 . 2 . . . . 48 LEU CD2 . 6911 1 498 . 1 1 52 52 LEU N N 15 130.688 0.010 . 1 . . . . 48 LEU N . 6911 1 499 . 1 1 53 53 ASP H H 1 8.443 0.004 . 1 . . . . 49 ASP HN . 6911 1 500 . 1 1 53 53 ASP HA H 1 4.339 0.004 . 1 . . . . 49 ASP HA . 6911 1 501 . 1 1 53 53 ASP HB2 H 1 2.794 0.004 . 2 . . . . 49 ASP HB2 . 6911 1 502 . 1 1 53 53 ASP HB3 H 1 2.610 0.004 . 2 . . . . 49 ASP HB3 . 6911 1 503 . 1 1 53 53 ASP CA C 13 51.999 0.010 . 1 . . . . 49 ASP CA . 6911 1 504 . 1 1 53 53 ASP CB C 13 37.250 0.010 . 1 . . . . 49 ASP CB . 6911 1 505 . 1 1 53 53 ASP N N 15 116.948 0.010 . 1 . . . . 49 ASP N . 6911 1 506 . 1 1 54 54 GLY H H 1 7.606 0.004 . 1 . . . . 50 GLY HN . 6911 1 507 . 1 1 54 54 GLY HA2 H 1 4.452 0.004 . 2 . . . . 50 GLY HA1 . 6911 1 508 . 1 1 54 54 GLY HA3 H 1 3.540 0.004 . 2 . . . . 50 GLY HA2 . 6911 1 509 . 1 1 54 54 GLY CA C 13 42.500 0.010 . 1 . . . . 50 GLY CA . 6911 1 510 . 1 1 54 54 GLY N N 15 105.746 0.010 . 1 . . . . 50 GLY N . 6911 1 511 . 1 1 55 55 PRO HA H 1 4.155 0.004 . 1 . . . . 51 PRO HA . 6911 1 512 . 1 1 55 55 PRO HB2 H 1 2.573 0.004 . 2 . . . . 51 PRO HB2 . 6911 1 513 . 1 1 55 55 PRO HB3 H 1 2.110 0.004 . 2 . . . . 51 PRO HB3 . 6911 1 514 . 1 1 55 55 PRO HG2 H 1 2.477 0.004 . 2 . . . . 51 PRO HG2 . 6911 1 515 . 1 1 55 55 PRO HG3 H 1 2.094 0.004 . 2 . . . . 51 PRO HG3 . 6911 1 516 . 1 1 55 55 PRO HD2 H 1 3.725 0.004 . 2 . . . . 51 PRO HD2 . 6911 1 517 . 1 1 55 55 PRO HD3 H 1 2.938 0.004 . 2 . . . . 51 PRO HD3 . 6911 1 518 . 1 1 55 55 PRO CA C 13 63.497 0.010 . 1 . . . . 51 PRO CA . 6911 1 519 . 1 1 55 55 PRO CB C 13 30.001 0.010 . 1 . . . . 51 PRO CB . 6911 1 520 . 1 1 55 55 PRO CG C 13 26.251 0.010 . 1 . . . . 51 PRO CG . 6911 1 521 . 1 1 55 55 PRO CD C 13 46.749 0.010 . 1 . . . . 51 PRO CD . 6911 1 522 . 1 1 56 56 ALA H H 1 7.643 0.004 . 1 . . . . 52 ALA HN . 6911 1 523 . 1 1 56 56 ALA HA H 1 4.107 0.004 . 1 . . . . 52 ALA HA . 6911 1 524 . 1 1 56 56 ALA HB1 H 1 1.523 0.004 . 1 . . . . 52 ALA QB . 6911 1 525 . 1 1 56 56 ALA HB2 H 1 1.523 0.004 . 1 . . . . 52 ALA QB . 6911 1 526 . 1 1 56 56 ALA HB3 H 1 1.523 0.004 . 1 . . . . 52 ALA QB . 6911 1 527 . 1 1 56 56 ALA CA C 13 52.999 0.010 . 1 . . . . 52 ALA CA . 6911 1 528 . 1 1 56 56 ALA CB C 13 17.252 0.010 . 1 . . . . 52 ALA CB . 6911 1 529 . 1 1 56 56 ALA N N 15 118.978 0.010 . 1 . . . . 52 ALA N . 6911 1 530 . 1 1 57 57 ALA H H 1 9.596 0.004 . 1 . . . . 53 ALA HN . 6911 1 531 . 1 1 57 57 ALA HA H 1 4.019 0.004 . 1 . . . . 53 ALA HA . 6911 1 532 . 1 1 57 57 ALA HB1 H 1 1.414 0.004 . 1 . . . . 53 ALA QB . 6911 1 533 . 1 1 57 57 ALA HB2 H 1 1.414 0.004 . 1 . . . . 53 ALA QB . 6911 1 534 . 1 1 57 57 ALA HB3 H 1 1.414 0.004 . 1 . . . . 53 ALA QB . 6911 1 535 . 1 1 57 57 ALA CA C 13 52.499 0.010 . 1 . . . . 53 ALA CA . 6911 1 536 . 1 1 57 57 ALA CB C 13 16.752 0.010 . 1 . . . . 53 ALA CB . 6911 1 537 . 1 1 57 57 ALA N N 15 124.898 0.010 . 1 . . . . 53 ALA N . 6911 1 538 . 1 1 58 58 LEU H H 1 8.127 0.004 . 1 . . . . 54 LEU HN . 6911 1 539 . 1 1 58 58 LEU HA H 1 3.945 0.004 . 1 . . . . 54 LEU HA . 6911 1 540 . 1 1 58 58 LEU HB2 H 1 1.621 0.004 . 2 . . . . 54 LEU HB2 . 6911 1 541 . 1 1 58 58 LEU HB3 H 1 1.380 0.004 . 2 . . . . 54 LEU HB3 . 6911 1 542 . 1 1 58 58 LEU HG H 1 1.612 0.004 . 1 . . . . 54 LEU HG . 6911 1 543 . 1 1 58 58 LEU HD11 H 1 0.770 0.004 . 2 . . . . 54 LEU QD1 . 6911 1 544 . 1 1 58 58 LEU HD12 H 1 0.770 0.004 . 2 . . . . 54 LEU QD1 . 6911 1 545 . 1 1 58 58 LEU HD13 H 1 0.770 0.004 . 2 . . . . 54 LEU QD1 . 6911 1 546 . 1 1 58 58 LEU HD21 H 1 0.669 0.004 . 2 . . . . 54 LEU QD2 . 6911 1 547 . 1 1 58 58 LEU HD22 H 1 0.669 0.004 . 2 . . . . 54 LEU QD2 . 6911 1 548 . 1 1 58 58 LEU HD23 H 1 0.669 0.004 . 2 . . . . 54 LEU QD2 . 6911 1 549 . 1 1 58 58 LEU CA C 13 54.998 0.010 . 1 . . . . 54 LEU CA . 6911 1 550 . 1 1 58 58 LEU CB C 13 39.250 0.010 . 1 . . . . 54 LEU CB . 6911 1 551 . 1 1 58 58 LEU CG C 13 24.751 0.010 . 1 . . . . 54 LEU CG . 6911 1 552 . 1 1 58 58 LEU CD1 C 13 20.502 0.010 . 2 . . . . 54 LEU CD1 . 6911 1 553 . 1 1 58 58 LEU CD2 C 13 22.752 0.010 . 2 . . . . 54 LEU CD2 . 6911 1 554 . 1 1 58 58 LEU N N 15 117.963 0.010 . 1 . . . . 54 LEU N . 6911 1 555 . 1 1 59 59 ASP H H 1 7.634 0.004 . 1 . . . . 55 ASP HN . 6911 1 556 . 1 1 59 59 ASP HA H 1 4.341 0.004 . 1 . . . . 55 ASP HA . 6911 1 557 . 1 1 59 59 ASP HB2 H 1 2.694 0.004 . 2 . . . . 55 ASP HB2 . 6911 1 558 . 1 1 59 59 ASP HB3 H 1 2.500 0.004 . 2 . . . . 55 ASP HB3 . 6911 1 559 . 1 1 59 59 ASP CA C 13 54.248 0.010 . 1 . . . . 55 ASP CA . 6911 1 560 . 1 1 59 59 ASP CB C 13 41.500 0.010 . 1 . . . . 55 ASP CB . 6911 1 561 . 1 1 59 59 ASP N N 15 117.807 0.010 . 1 . . . . 55 ASP N . 6911 1 562 . 1 1 60 60 GLY H H 1 7.282 0.004 . 1 . . . . 56 GLY HN . 6911 1 563 . 1 1 60 60 GLY HA2 H 1 3.818 0.004 . 1 . . . . 56 GLY QA . 6911 1 564 . 1 1 60 60 GLY HA3 H 1 3.818 0.004 . 1 . . . . 56 GLY QA . 6911 1 565 . 1 1 60 60 GLY CA C 13 44.499 0.010 . 1 . . . . 56 GLY CA . 6911 1 566 . 1 1 60 60 GLY N N 15 102.624 0.010 . 1 . . . . 56 GLY N . 6911 1 567 . 1 1 61 61 LYS H H 1 7.711 0.004 . 1 . . . . 57 LYS HN . 6911 1 568 . 1 1 61 61 LYS HA H 1 4.220 0.004 . 1 . . . . 57 LYS HA . 6911 1 569 . 1 1 61 61 LYS HB2 H 1 1.525 0.004 . 2 . . . . 57 LYS HB2 . 6911 1 570 . 1 1 61 61 LYS HB3 H 1 1.442 0.004 . 2 . . . . 57 LYS HB3 . 6911 1 571 . 1 1 61 61 LYS CA C 13 55.248 0.010 . 1 . . . . 57 LYS CA . 6911 1 572 . 1 1 61 61 LYS CB C 13 31.501 0.010 . 1 . . . . 57 LYS CB . 6911 1 573 . 1 1 61 61 LYS N N 15 117.885 0.010 . 1 . . . . 57 LYS N . 6911 1 574 . 1 1 62 62 MET H H 1 8.557 0.004 . 1 . . . . 58 MET HN . 6911 1 575 . 1 1 62 62 MET HA H 1 3.798 0.004 . 1 . . . . 58 MET HA . 6911 1 576 . 1 1 62 62 MET HB2 H 1 1.703 0.004 . 2 . . . . 58 MET HB2 . 6911 1 577 . 1 1 62 62 MET HB3 H 1 1.515 0.004 . 2 . . . . 58 MET HB3 . 6911 1 578 . 1 1 62 62 MET HG2 H 1 1.999 0.004 . 1 . . . . 58 MET QG . 6911 1 579 . 1 1 62 62 MET HG3 H 1 1.999 0.004 . 1 . . . . 58 MET QG . 6911 1 580 . 1 1 62 62 MET HE1 H 1 1.026 0.004 . 1 . . . . 58 MET QE . 6911 1 581 . 1 1 62 62 MET HE2 H 1 1.026 0.004 . 1 . . . . 58 MET QE . 6911 1 582 . 1 1 62 62 MET HE3 H 1 1.026 0.004 . 1 . . . . 58 MET QE . 6911 1 583 . 1 1 62 62 MET CA C 13 53.498 0.010 . 1 . . . . 58 MET CA . 6911 1 584 . 1 1 62 62 MET CB C 13 33.750 0.010 . 1 . . . . 58 MET CB . 6911 1 585 . 1 1 62 62 MET CG C 13 28.751 0.010 . 1 . . . . 58 MET CG . 6911 1 586 . 1 1 62 62 MET CE C 13 13.752 0.010 . 1 . . . . 58 MET CE . 6911 1 587 . 1 1 62 62 MET N N 15 119.408 0.010 . 1 . . . . 58 MET N . 6911 1 588 . 1 1 63 63 GLU H H 1 8.411 0.004 . 1 . . . . 59 GLU HN . 6911 1 589 . 1 1 63 63 GLU CA C 13 52.123 0.010 . 1 . . . . 59 GLU CA . 6911 1 590 . 1 1 63 63 GLU CB C 13 31.795 0.010 . 1 . . . . 59 GLU CB . 6911 1 591 . 1 1 63 63 GLU N N 15 121.203 0.010 . 1 . . . . 59 GLU N . 6911 1 592 . 1 1 64 64 THR H H 1 8.462 0.004 . 1 . . . . 60 THR HN . 6911 1 593 . 1 1 64 64 THR HA H 1 3.505 0.004 . 1 . . . . 60 THR HA . 6911 1 594 . 1 1 64 64 THR HB H 1 3.972 0.004 . 1 . . . . 60 THR HB . 6911 1 595 . 1 1 64 64 THR HG21 H 1 1.080 0.004 . 1 . . . . 60 THR QG2 . 6911 1 596 . 1 1 64 64 THR HG22 H 1 1.080 0.004 . 1 . . . . 60 THR QG2 . 6911 1 597 . 1 1 64 64 THR HG23 H 1 1.080 0.004 . 1 . . . . 60 THR QG2 . 6911 1 598 . 1 1 64 64 THR CA C 13 61.498 0.010 . 1 . . . . 60 THR CA . 6911 1 599 . 1 1 64 64 THR CB C 13 66.247 0.010 . 1 . . . . 60 THR CB . 6911 1 600 . 1 1 64 64 THR CG2 C 13 20.252 0.010 . 1 . . . . 60 THR CG2 . 6911 1 601 . 1 1 64 64 THR N N 15 114.177 0.010 . 1 . . . . 60 THR N . 6911 1 602 . 1 1 65 65 GLY H H 1 10.048 0.004 . 1 . . . . 61 GLY HN . 6911 1 603 . 1 1 65 65 GLY HA2 H 1 4.563 0.004 . 2 . . . . 61 GLY HA1 . 6911 1 604 . 1 1 65 65 GLY HA3 H 1 3.268 0.004 . 2 . . . . 61 GLY HA2 . 6911 1 605 . 1 1 65 65 GLY CA C 13 42.250 0.010 . 1 . . . . 61 GLY CA . 6911 1 606 . 1 1 65 65 GLY N N 15 113.943 0.010 . 1 . . . . 61 GLY N . 6911 1 607 . 1 1 66 66 ASP H H 1 7.879 0.004 . 1 . . . . 62 ASP HN . 6911 1 608 . 1 1 66 66 ASP HA H 1 4.386 0.004 . 1 . . . . 62 ASP HA . 6911 1 609 . 1 1 66 66 ASP HB2 H 1 2.446 0.004 . 2 . . . . 62 ASP HB2 . 6911 1 610 . 1 1 66 66 ASP HB3 H 1 2.129 0.004 . 2 . . . . 62 ASP HB3 . 6911 1 611 . 1 1 66 66 ASP CA C 13 53.998 0.010 . 1 . . . . 62 ASP CA . 6911 1 612 . 1 1 66 66 ASP CB C 13 38.500 0.010 . 1 . . . . 62 ASP CB . 6911 1 613 . 1 1 66 66 ASP N N 15 124.716 0.010 . 1 . . . . 62 ASP N . 6911 1 614 . 1 1 67 67 VAL H H 1 8.621 0.004 . 1 . . . . 63 VAL HN . 6911 1 615 . 1 1 67 67 VAL HA H 1 4.368 0.004 . 1 . . . . 63 VAL HA . 6911 1 616 . 1 1 67 67 VAL HB H 1 1.573 0.004 . 1 . . . . 63 VAL HB . 6911 1 617 . 1 1 67 67 VAL HG11 H 1 0.488 0.004 . 2 . . . . 63 VAL QG1 . 6911 1 618 . 1 1 67 67 VAL HG12 H 1 0.488 0.004 . 2 . . . . 63 VAL QG1 . 6911 1 619 . 1 1 67 67 VAL HG13 H 1 0.488 0.004 . 2 . . . . 63 VAL QG1 . 6911 1 620 . 1 1 67 67 VAL HG21 H 1 0.157 0.004 . 2 . . . . 63 VAL QG2 . 6911 1 621 . 1 1 67 67 VAL HG22 H 1 0.157 0.004 . 2 . . . . 63 VAL QG2 . 6911 1 622 . 1 1 67 67 VAL HG23 H 1 0.157 0.004 . 2 . . . . 63 VAL QG2 . 6911 1 623 . 1 1 67 67 VAL CA C 13 58.498 0.010 . 1 . . . . 63 VAL CA . 6911 1 624 . 1 1 67 67 VAL CB C 13 31.751 0.010 . 1 . . . . 63 VAL CB . 6911 1 625 . 1 1 67 67 VAL CG1 C 13 20.002 0.010 . 2 . . . . 63 VAL CG1 . 6911 1 626 . 1 1 67 67 VAL CG2 C 13 17.752 0.010 . 2 . . . . 63 VAL CG2 . 6911 1 627 . 1 1 67 67 VAL N N 15 122.179 0.010 . 1 . . . . 63 VAL N . 6911 1 628 . 1 1 68 68 ILE H H 1 8.415 0.004 . 1 . . . . 64 ILE HN . 6911 1 629 . 1 1 68 68 ILE HA H 1 3.728 0.004 . 1 . . . . 64 ILE HA . 6911 1 630 . 1 1 68 68 ILE HB H 1 1.577 0.004 . 1 . . . . 64 ILE HB . 6911 1 631 . 1 1 68 68 ILE HG12 H 1 1.399 0.004 . 2 . . . . 64 ILE HG12 . 6911 1 632 . 1 1 68 68 ILE HG13 H 1 0.371 0.004 . 2 . . . . 64 ILE HG13 . 6911 1 633 . 1 1 68 68 ILE HG21 H 1 0.512 0.004 . 1 . . . . 64 ILE QG2 . 6911 1 634 . 1 1 68 68 ILE HG22 H 1 0.512 0.004 . 1 . . . . 64 ILE QG2 . 6911 1 635 . 1 1 68 68 ILE HG23 H 1 0.512 0.004 . 1 . . . . 64 ILE QG2 . 6911 1 636 . 1 1 68 68 ILE HD11 H 1 0.711 0.004 . 1 . . . . 64 ILE QD1 . 6911 1 637 . 1 1 68 68 ILE HD12 H 1 0.711 0.004 . 1 . . . . 64 ILE QD1 . 6911 1 638 . 1 1 68 68 ILE HD13 H 1 0.711 0.004 . 1 . . . . 64 ILE QD1 . 6911 1 639 . 1 1 68 68 ILE CA C 13 60.498 0.010 . 1 . . . . 64 ILE CA . 6911 1 640 . 1 1 68 68 ILE CB C 13 35.000 0.010 . 1 . . . . 64 ILE CB . 6911 1 641 . 1 1 68 68 ILE CG1 C 13 25.001 0.010 . 1 . . . . 64 ILE CG1 . 6911 1 642 . 1 1 68 68 ILE CG2 C 13 16.002 0.010 . 1 . . . . 64 ILE CG2 . 6911 1 643 . 1 1 68 68 ILE CD1 C 13 11.503 0.010 . 1 . . . . 64 ILE CD1 . 6911 1 644 . 1 1 68 68 ILE N N 15 125.692 0.010 . 1 . . . . 64 ILE N . 6911 1 645 . 1 1 69 69 VAL H H 1 8.731 0.004 . 1 . . . . 65 VAL HN . 6911 1 646 . 1 1 69 69 VAL HA H 1 3.774 0.004 . 1 . . . . 65 VAL HA . 6911 1 647 . 1 1 69 69 VAL HB H 1 1.634 0.004 . 1 . . . . 65 VAL HB . 6911 1 648 . 1 1 69 69 VAL HG11 H 1 0.854 0.004 . 2 . . . . 65 VAL QG1 . 6911 1 649 . 1 1 69 69 VAL HG12 H 1 0.854 0.004 . 2 . . . . 65 VAL QG1 . 6911 1 650 . 1 1 69 69 VAL HG13 H 1 0.854 0.004 . 2 . . . . 65 VAL QG1 . 6911 1 651 . 1 1 69 69 VAL HG21 H 1 0.594 0.004 . 2 . . . . 65 VAL QG2 . 6911 1 652 . 1 1 69 69 VAL HG22 H 1 0.594 0.004 . 2 . . . . 65 VAL QG2 . 6911 1 653 . 1 1 69 69 VAL HG23 H 1 0.594 0.004 . 2 . . . . 65 VAL QG2 . 6911 1 654 . 1 1 69 69 VAL CA C 13 61.748 0.010 . 1 . . . . 65 VAL CA . 6911 1 655 . 1 1 69 69 VAL CB C 13 30.751 0.010 . 1 . . . . 65 VAL CB . 6911 1 656 . 1 1 69 69 VAL CG1 C 13 19.252 0.010 . 2 . . . . 65 VAL CG1 . 6911 1 657 . 1 1 69 69 VAL CG2 C 13 21.002 0.010 . 2 . . . . 65 VAL CG2 . 6911 1 658 . 1 1 69 69 VAL N N 15 127.878 0.010 . 1 . . . . 65 VAL N . 6911 1 659 . 1 1 70 70 SER H H 1 7.752 0.004 . 1 . . . . 66 SER HN . 6911 1 660 . 1 1 70 70 SER HA H 1 5.201 0.004 . 1 . . . . 66 SER HA . 6911 1 661 . 1 1 70 70 SER HB2 H 1 3.444 0.004 . 1 . . . . 66 SER QB . 6911 1 662 . 1 1 70 70 SER HB3 H 1 3.444 0.004 . 1 . . . . 66 SER QB . 6911 1 663 . 1 1 70 70 SER CA C 13 54.748 0.010 . 1 . . . . 66 SER CA . 6911 1 664 . 1 1 70 70 SER CB C 13 63.747 0.010 . 1 . . . . 66 SER CB . 6911 1 665 . 1 1 70 70 SER N N 15 109.962 0.010 . 1 . . . . 66 SER N . 6911 1 666 . 1 1 71 71 VAL H H 1 8.242 0.004 . 1 . . . . 67 VAL HN . 6911 1 667 . 1 1 71 71 VAL HA H 1 4.357 0.004 . 1 . . . . 67 VAL HA . 6911 1 668 . 1 1 71 71 VAL HB H 1 1.612 0.004 . 1 . . . . 67 VAL HB . 6911 1 669 . 1 1 71 71 VAL HG11 H 1 0.595 0.004 . 1 . . . . 67 VAL QQG . 6911 1 670 . 1 1 71 71 VAL HG12 H 1 0.595 0.004 . 1 . . . . 67 VAL QQG . 6911 1 671 . 1 1 71 71 VAL HG13 H 1 0.595 0.004 . 1 . . . . 67 VAL QQG . 6911 1 672 . 1 1 71 71 VAL HG21 H 1 0.595 0.004 . 1 . . . . 67 VAL QQG . 6911 1 673 . 1 1 71 71 VAL HG22 H 1 0.595 0.004 . 1 . . . . 67 VAL QQG . 6911 1 674 . 1 1 71 71 VAL HG23 H 1 0.595 0.004 . 1 . . . . 67 VAL QQG . 6911 1 675 . 1 1 71 71 VAL CA C 13 58.748 0.010 . 1 . . . . 67 VAL CA . 6911 1 676 . 1 1 71 71 VAL CB C 13 32.001 0.010 . 1 . . . . 67 VAL CB . 6911 1 677 . 1 1 71 71 VAL CG1 C 13 19.002 0.010 . 1 . . . . 67 VAL CG1 . 6911 1 678 . 1 1 71 71 VAL N N 15 120.813 0.010 . 1 . . . . 67 VAL N . 6911 1 679 . 1 1 72 72 ASN H H 1 9.879 0.004 . 1 . . . . 68 ASN HN . 6911 1 680 . 1 1 72 72 ASN HA H 1 4.485 0.004 . 1 . . . . 68 ASN HA . 6911 1 681 . 1 1 72 72 ASN HB2 H 1 3.042 0.004 . 1 . . . . 68 ASN HB2 . 6911 1 682 . 1 1 72 72 ASN HB3 H 1 2.828 0.004 . 1 . . . . 68 ASN HB3 . 6911 1 683 . 1 1 72 72 ASN CA C 13 52.249 0.010 . 1 . . . . 68 ASN CA . 6911 1 684 . 1 1 72 72 ASN CB C 13 34.000 0.010 . 1 . . . . 68 ASN CB . 6911 1 685 . 1 1 72 72 ASN N N 15 127.487 0.010 . 1 . . . . 68 ASN N . 6911 1 686 . 1 1 73 73 ASP HA H 1 4.189 0.004 . 1 . . . . 69 ASP HA . 6911 1 687 . 1 1 73 73 ASP HB2 H 1 2.753 0.004 . 1 . . . . 69 ASP QB . 6911 1 688 . 1 1 73 73 ASP HB3 H 1 2.753 0.004 . 1 . . . . 69 ASP QB . 6911 1 689 . 1 1 73 73 ASP CA C 13 53.498 0.010 . 1 . . . . 69 ASP CA . 6911 1 690 . 1 1 73 73 ASP CB C 13 38.000 0.010 . 1 . . . . 69 ASP CB . 6911 1 691 . 1 1 74 74 THR H H 1 7.876 0.004 . 1 . . . . 70 THR HN . 6911 1 692 . 1 1 74 74 THR HA H 1 4.236 0.004 . 1 . . . . 70 THR HA . 6911 1 693 . 1 1 74 74 THR HB H 1 3.967 0.004 . 1 . . . . 70 THR HB . 6911 1 694 . 1 1 74 74 THR HG21 H 1 0.989 0.004 . 1 . . . . 70 THR QG2 . 6911 1 695 . 1 1 74 74 THR HG22 H 1 0.989 0.004 . 1 . . . . 70 THR QG2 . 6911 1 696 . 1 1 74 74 THR HG23 H 1 0.989 0.004 . 1 . . . . 70 THR QG2 . 6911 1 697 . 1 1 74 74 THR CA C 13 59.998 0.010 . 1 . . . . 70 THR CA . 6911 1 698 . 1 1 74 74 THR CB C 13 67.997 0.010 . 1 . . . . 70 THR CB . 6911 1 699 . 1 1 74 74 THR CG2 C 13 18.752 0.010 . 1 . . . . 70 THR CG2 . 6911 1 700 . 1 1 74 74 THR N N 15 117.456 0.010 . 1 . . . . 70 THR N . 6911 1 701 . 1 1 75 75 CYS H H 1 8.973 0.004 . 1 . . . . 71 CYS HN . 6911 1 702 . 1 1 75 75 CYS HA H 1 4.432 0.004 . 1 . . . . 71 CYS HA . 6911 1 703 . 1 1 75 75 CYS HB2 H 1 3.120 0.004 . 2 . . . . 71 CYS HB2 . 6911 1 704 . 1 1 75 75 CYS HB3 H 1 2.696 0.004 . 2 . . . . 71 CYS HB3 . 6911 1 705 . 1 1 75 75 CYS CA C 13 57.498 0.010 . 1 . . . . 71 CYS CA . 6911 1 706 . 1 1 75 75 CYS CB C 13 25.001 0.010 . 1 . . . . 71 CYS CB . 6911 1 707 . 1 1 75 75 CYS N N 15 128.463 0.010 . 1 . . . . 71 CYS N . 6911 1 708 . 1 1 76 76 VAL H H 1 8.672 0.004 . 1 . . . . 72 VAL HN . 6911 1 709 . 1 1 76 76 VAL HA H 1 3.828 0.004 . 1 . . . . 72 VAL HA . 6911 1 710 . 1 1 76 76 VAL HB H 1 1.898 0.004 . 1 . . . . 72 VAL HB . 6911 1 711 . 1 1 76 76 VAL HG11 H 1 0.299 0.004 . 2 . . . . 72 VAL QG1 . 6911 1 712 . 1 1 76 76 VAL HG12 H 1 0.299 0.004 . 2 . . . . 72 VAL QG1 . 6911 1 713 . 1 1 76 76 VAL HG13 H 1 0.299 0.004 . 2 . . . . 72 VAL QG1 . 6911 1 714 . 1 1 76 76 VAL HG21 H 1 0.153 0.004 . 2 . . . . 72 VAL QG2 . 6911 1 715 . 1 1 76 76 VAL HG22 H 1 0.153 0.004 . 2 . . . . 72 VAL QG2 . 6911 1 716 . 1 1 76 76 VAL HG23 H 1 0.153 0.004 . 2 . . . . 72 VAL QG2 . 6911 1 717 . 1 1 76 76 VAL CA C 13 57.498 0.010 . 1 . . . . 72 VAL CA . 6911 1 718 . 1 1 76 76 VAL CB C 13 28.501 0.010 . 1 . . . . 72 VAL CB . 6911 1 719 . 1 1 76 76 VAL CG1 C 13 17.252 0.010 . 2 . . . . 72 VAL CG1 . 6911 1 720 . 1 1 76 76 VAL CG2 C 13 18.002 0.010 . 2 . . . . 72 VAL CG2 . 6911 1 721 . 1 1 76 76 VAL N N 15 121.047 0.010 . 1 . . . . 72 VAL N . 6911 1 722 . 1 1 77 77 LEU H H 1 7.664 0.004 . 1 . . . . 73 LEU HN . 6911 1 723 . 1 1 77 77 LEU HA H 1 4.496 0.004 . 1 . . . . 73 LEU HA . 6911 1 724 . 1 1 77 77 LEU HB2 H 1 1.889 0.004 . 2 . . . . 73 LEU HB2 . 6911 1 725 . 1 1 77 77 LEU HB3 H 1 1.693 0.004 . 2 . . . . 73 LEU HB3 . 6911 1 726 . 1 1 77 77 LEU HG H 1 1.828 0.004 . 1 . . . . 73 LEU HG . 6911 1 727 . 1 1 77 77 LEU HD11 H 1 0.982 0.004 . 2 . . . . 73 LEU QD1 . 6911 1 728 . 1 1 77 77 LEU HD12 H 1 0.982 0.004 . 2 . . . . 73 LEU QD1 . 6911 1 729 . 1 1 77 77 LEU HD13 H 1 0.982 0.004 . 2 . . . . 73 LEU QD1 . 6911 1 730 . 1 1 77 77 LEU HD21 H 1 0.602 0.004 . 2 . . . . 73 LEU QD2 . 6911 1 731 . 1 1 77 77 LEU HD22 H 1 0.602 0.004 . 2 . . . . 73 LEU QD2 . 6911 1 732 . 1 1 77 77 LEU HD23 H 1 0.602 0.004 . 2 . . . . 73 LEU QD2 . 6911 1 733 . 1 1 77 77 LEU CA C 13 54.248 0.010 . 1 . . . . 73 LEU CA . 6911 1 734 . 1 1 77 77 LEU CB C 13 38.500 0.010 . 1 . . . . 73 LEU CB . 6911 1 735 . 1 1 77 77 LEU CG C 13 23.751 0.010 . 1 . . . . 73 LEU CG . 6911 1 736 . 1 1 77 77 LEU CD1 C 13 21.002 0.010 . 2 . . . . 73 LEU CD1 . 6911 1 737 . 1 1 77 77 LEU CD2 C 13 22.752 0.010 . 2 . . . . 73 LEU CD2 . 6911 1 738 . 1 1 77 77 LEU N N 15 123.272 0.010 . 1 . . . . 73 LEU N . 6911 1 739 . 1 1 78 78 GLY H H 1 9.755 0.004 . 1 . . . . 74 GLY HN . 6911 1 740 . 1 1 78 78 GLY HA2 H 1 4.580 0.004 . 2 . . . . 74 GLY HA1 . 6911 1 741 . 1 1 78 78 GLY HA3 H 1 3.784 0.004 . 2 . . . . 74 GLY HA2 . 6911 1 742 . 1 1 78 78 GLY CA C 13 43.499 0.010 . 1 . . . . 74 GLY CA . 6911 1 743 . 1 1 78 78 GLY N N 15 116.597 0.010 . 1 . . . . 74 GLY N . 6911 1 744 . 1 1 79 79 HIS H H 1 8.314 0.004 . 1 . . . . 75 HIS HN . 6911 1 745 . 1 1 79 79 HIS CA C 13 54.108 0.010 . 1 . . . . 75 HIS CA . 6911 1 746 . 1 1 79 79 HIS CB C 13 29.085 0.010 . 1 . . . . 75 HIS CB . 6911 1 747 . 1 1 79 79 HIS N N 15 122.290 0.010 . 1 . . . . 75 HIS N . 6911 1 748 . 1 1 80 80 THR H H 1 8.477 0.004 . 1 . . . . 76 THR HN . 6911 1 749 . 1 1 80 80 THR HA H 1 4.402 0.004 . 1 . . . . 76 THR HA . 6911 1 750 . 1 1 80 80 THR HB H 1 4.708 0.004 . 1 . . . . 76 THR HB . 6911 1 751 . 1 1 80 80 THR HG21 H 1 0.975 0.004 . 1 . . . . 76 THR QG2 . 6911 1 752 . 1 1 80 80 THR HG22 H 1 0.975 0.004 . 1 . . . . 76 THR QG2 . 6911 1 753 . 1 1 80 80 THR HG23 H 1 0.975 0.004 . 1 . . . . 76 THR QG2 . 6911 1 754 . 1 1 80 80 THR CA C 13 57.748 0.010 . 1 . . . . 76 THR CA . 6911 1 755 . 1 1 80 80 THR CB C 13 68.747 0.010 . 1 . . . . 76 THR CB . 6911 1 756 . 1 1 80 80 THR CG2 C 13 19.002 0.010 . 1 . . . . 76 THR CG2 . 6911 1 757 . 1 1 80 80 THR N N 15 109.415 0.010 . 1 . . . . 76 THR N . 6911 1 758 . 1 1 81 81 HIS H H 1 9.051 0.004 . 1 . . . . 77 HIS HN . 6911 1 759 . 1 1 81 81 HIS HA H 1 3.899 0.004 . 1 . . . . 77 HIS HA . 6911 1 760 . 1 1 81 81 HIS HB2 H 1 3.410 0.004 . 2 . . . . 77 HIS HB2 . 6911 1 761 . 1 1 81 81 HIS HB3 H 1 2.967 0.004 . 2 . . . . 77 HIS HB3 . 6911 1 762 . 1 1 81 81 HIS CA C 13 58.498 0.010 . 1 . . . . 77 HIS CA . 6911 1 763 . 1 1 81 81 HIS CB C 13 27.501 0.010 . 1 . . . . 77 HIS CB . 6911 1 764 . 1 1 81 81 HIS N N 15 121.789 0.010 . 1 . . . . 77 HIS N . 6911 1 765 . 1 1 82 82 ALA H H 1 8.434 0.004 . 1 . . . . 78 ALA HN . 6911 1 766 . 1 1 82 82 ALA HA H 1 3.908 0.004 . 1 . . . . 78 ALA HA . 6911 1 767 . 1 1 82 82 ALA HB1 H 1 1.306 0.004 . 1 . . . . 78 ALA QB . 6911 1 768 . 1 1 82 82 ALA HB2 H 1 1.306 0.004 . 1 . . . . 78 ALA QB . 6911 1 769 . 1 1 82 82 ALA HB3 H 1 1.306 0.004 . 1 . . . . 78 ALA QB . 6911 1 770 . 1 1 82 82 ALA CA C 13 52.749 0.010 . 1 . . . . 78 ALA CA . 6911 1 771 . 1 1 82 82 ALA CB C 13 16.002 0.010 . 1 . . . . 78 ALA CB . 6911 1 772 . 1 1 82 82 ALA N N 15 118.588 0.010 . 1 . . . . 78 ALA N . 6911 1 773 . 1 1 83 83 GLN H H 1 7.647 0.004 . 1 . . . . 79 GLN HN . 6911 1 774 . 1 1 83 83 GLN HA H 1 3.840 0.004 . 1 . . . . 79 GLN HA . 6911 1 775 . 1 1 83 83 GLN HB2 H 1 2.329 0.004 . 2 . . . . 79 GLN HB2 . 6911 1 776 . 1 1 83 83 GLN HB3 H 1 1.812 0.004 . 2 . . . . 79 GLN HB3 . 6911 1 777 . 1 1 83 83 GLN HG2 H 1 2.289 0.004 . 2 . . . . 79 GLN HG2 . 6911 1 778 . 1 1 83 83 GLN HG3 H 1 2.194 0.004 . 2 . . . . 79 GLN HG3 . 6911 1 779 . 1 1 83 83 GLN CA C 13 56.498 0.010 . 1 . . . . 79 GLN CA . 6911 1 780 . 1 1 83 83 GLN CB C 13 27.251 0.010 . 1 . . . . 79 GLN CB . 6911 1 781 . 1 1 83 83 GLN CG C 13 32.501 0.010 . 1 . . . . 79 GLN CG . 6911 1 782 . 1 1 83 83 GLN N N 15 115.856 0.010 . 1 . . . . 79 GLN N . 6911 1 783 . 1 1 84 84 VAL H H 1 8.059 0.004 . 1 . . . . 80 VAL HN . 6911 1 784 . 1 1 84 84 VAL HA H 1 3.738 0.004 . 1 . . . . 80 VAL HA . 6911 1 785 . 1 1 84 84 VAL HB H 1 1.808 0.004 . 1 . . . . 80 VAL HB . 6911 1 786 . 1 1 84 84 VAL HG11 H 1 0.748 0.004 . 2 . . . . 80 VAL QG1 . 6911 1 787 . 1 1 84 84 VAL HG12 H 1 0.748 0.004 . 2 . . . . 80 VAL QG1 . 6911 1 788 . 1 1 84 84 VAL HG13 H 1 0.748 0.004 . 2 . . . . 80 VAL QG1 . 6911 1 789 . 1 1 84 84 VAL HG21 H 1 0.726 0.004 . 2 . . . . 80 VAL QG2 . 6911 1 790 . 1 1 84 84 VAL HG22 H 1 0.726 0.004 . 2 . . . . 80 VAL QG2 . 6911 1 791 . 1 1 84 84 VAL HG23 H 1 0.726 0.004 . 2 . . . . 80 VAL QG2 . 6911 1 792 . 1 1 84 84 VAL CA C 13 63.247 0.010 . 1 . . . . 80 VAL CA . 6911 1 793 . 1 1 84 84 VAL CB C 13 29.251 0.010 . 1 . . . . 80 VAL CB . 6911 1 794 . 1 1 84 84 VAL CG1 C 13 22.002 0.010 . 2 . . . . 80 VAL CG1 . 6911 1 795 . 1 1 84 84 VAL CG2 C 13 19.252 0.010 . 2 . . . . 80 VAL CG2 . 6911 1 796 . 1 1 84 84 VAL N N 15 120.461 0.010 . 1 . . . . 80 VAL N . 6911 1 797 . 1 1 85 85 VAL H H 1 8.456 0.004 . 1 . . . . 81 VAL HN . 6911 1 798 . 1 1 85 85 VAL HA H 1 3.617 0.004 . 1 . . . . 81 VAL HA . 6911 1 799 . 1 1 85 85 VAL HB H 1 1.981 0.004 . 1 . . . . 81 VAL HB . 6911 1 800 . 1 1 85 85 VAL HG11 H 1 0.818 0.004 . 2 . . . . 81 VAL QG1 . 6911 1 801 . 1 1 85 85 VAL HG12 H 1 0.818 0.004 . 2 . . . . 81 VAL QG1 . 6911 1 802 . 1 1 85 85 VAL HG13 H 1 0.818 0.004 . 2 . . . . 81 VAL QG1 . 6911 1 803 . 1 1 85 85 VAL HG21 H 1 0.815 0.004 . 2 . . . . 81 VAL QG2 . 6911 1 804 . 1 1 85 85 VAL HG22 H 1 0.815 0.004 . 2 . . . . 81 VAL QG2 . 6911 1 805 . 1 1 85 85 VAL HG23 H 1 0.815 0.004 . 2 . . . . 81 VAL QG2 . 6911 1 806 . 1 1 85 85 VAL CA C 13 64.747 0.010 . 1 . . . . 81 VAL CA . 6911 1 807 . 1 1 85 85 VAL CB C 13 29.001 0.010 . 1 . . . . 81 VAL CB . 6911 1 808 . 1 1 85 85 VAL CG1 C 13 20.752 0.010 . 2 . . . . 81 VAL CG1 . 6911 1 809 . 1 1 85 85 VAL CG2 C 13 19.002 0.010 . 2 . . . . 81 VAL CG2 . 6911 1 810 . 1 1 85 85 VAL N N 15 121.593 0.010 . 1 . . . . 81 VAL N . 6911 1 811 . 1 1 86 86 LYS H H 1 7.268 0.004 . 1 . . . . 82 LYS HN . 6911 1 812 . 1 1 86 86 LYS HA H 1 3.985 0.004 . 1 . . . . 82 LYS HA . 6911 1 813 . 1 1 86 86 LYS HB2 H 1 1.830 0.004 . 2 . . . . 82 LYS HB2 . 6911 1 814 . 1 1 86 86 LYS HB3 H 1 1.782 0.004 . 2 . . . . 82 LYS HB3 . 6911 1 815 . 1 1 86 86 LYS HG2 H 1 1.448 0.004 . 2 . . . . 82 LYS HG2 . 6911 1 816 . 1 1 86 86 LYS HG3 H 1 1.345 0.004 . 2 . . . . 82 LYS HG3 . 6911 1 817 . 1 1 86 86 LYS HD2 H 1 1.589 0.004 . 2 . . . . 82 LYS HD2 . 6911 1 818 . 1 1 86 86 LYS HD3 H 1 1.557 0.004 . 2 . . . . 82 LYS HD3 . 6911 1 819 . 1 1 86 86 LYS HE2 H 1 2.871 0.004 . 1 . . . . 82 LYS QE . 6911 1 820 . 1 1 86 86 LYS HE3 H 1 2.871 0.004 . 1 . . . . 82 LYS QE . 6911 1 821 . 1 1 86 86 LYS CA C 13 56.998 0.010 . 1 . . . . 82 LYS CA . 6911 1 822 . 1 1 86 86 LYS CB C 13 29.751 0.010 . 1 . . . . 82 LYS CB . 6911 1 823 . 1 1 86 86 LYS CG C 13 22.752 0.010 . 1 . . . . 82 LYS CG . 6911 1 824 . 1 1 86 86 LYS CD C 13 26.751 0.010 . 1 . . . . 82 LYS CD . 6911 1 825 . 1 1 86 86 LYS CE C 13 39.500 0.010 . 1 . . . . 82 LYS CE . 6911 1 826 . 1 1 86 86 LYS N N 15 119.056 0.010 . 1 . . . . 82 LYS N . 6911 1 827 . 1 1 87 87 ILE H H 1 7.190 0.004 . 1 . . . . 83 ILE HN . 6911 1 828 . 1 1 87 87 ILE HA H 1 3.588 0.004 . 1 . . . . 83 ILE HA . 6911 1 829 . 1 1 87 87 ILE HB H 1 1.680 0.004 . 1 . . . . 83 ILE HB . 6911 1 830 . 1 1 87 87 ILE HG12 H 1 1.762 0.004 . 2 . . . . 83 ILE HG12 . 6911 1 831 . 1 1 87 87 ILE HG13 H 1 0.920 0.004 . 2 . . . . 83 ILE HG13 . 6911 1 832 . 1 1 87 87 ILE HG21 H 1 0.612 0.004 . 1 . . . . 83 ILE QG2 . 6911 1 833 . 1 1 87 87 ILE HG22 H 1 0.612 0.004 . 1 . . . . 83 ILE QG2 . 6911 1 834 . 1 1 87 87 ILE HG23 H 1 0.612 0.004 . 1 . . . . 83 ILE QG2 . 6911 1 835 . 1 1 87 87 ILE HD11 H 1 0.705 0.004 . 1 . . . . 83 ILE QD1 . 6911 1 836 . 1 1 87 87 ILE HD12 H 1 0.705 0.004 . 1 . . . . 83 ILE QD1 . 6911 1 837 . 1 1 87 87 ILE HD13 H 1 0.705 0.004 . 1 . . . . 83 ILE QD1 . 6911 1 838 . 1 1 87 87 ILE CA C 13 63.247 0.010 . 1 . . . . 83 ILE CA . 6911 1 839 . 1 1 87 87 ILE CB C 13 35.500 0.010 . 1 . . . . 83 ILE CB . 6911 1 840 . 1 1 87 87 ILE CG1 C 13 25.501 0.010 . 1 . . . . 83 ILE CG1 . 6911 1 841 . 1 1 87 87 ILE CG2 C 13 14.252 0.010 . 1 . . . . 83 ILE CG2 . 6911 1 842 . 1 1 87 87 ILE CD1 C 13 11.253 0.010 . 1 . . . . 83 ILE CD1 . 6911 1 843 . 1 1 87 87 ILE N N 15 119.837 0.010 . 1 . . . . 83 ILE N . 6911 1 844 . 1 1 88 88 PHE H H 1 7.826 0.004 . 1 . . . . 84 PHE HN . 6911 1 845 . 1 1 88 88 PHE HA H 1 4.549 0.004 . 1 . . . . 84 PHE HA . 6911 1 846 . 1 1 88 88 PHE HB2 H 1 3.451 0.004 . 2 . . . . 84 PHE HB2 . 6911 1 847 . 1 1 88 88 PHE HB3 H 1 3.265 0.004 . 2 . . . . 84 PHE HB3 . 6911 1 848 . 1 1 88 88 PHE CA C 13 57.248 0.010 . 1 . . . . 84 PHE CA . 6911 1 849 . 1 1 88 88 PHE CB C 13 35.250 0.010 . 1 . . . . 84 PHE CB . 6911 1 850 . 1 1 88 88 PHE N N 15 117.924 0.010 . 1 . . . . 84 PHE N . 6911 1 851 . 1 1 89 89 GLN H H 1 8.886 0.004 . 1 . . . . 85 GLN HN . 6911 1 852 . 1 1 89 89 GLN HA H 1 3.940 0.004 . 1 . . . . 85 GLN HA . 6911 1 853 . 1 1 89 89 GLN HB2 H 1 2.163 0.004 . 2 . . . . 85 GLN HB2 . 6911 1 854 . 1 1 89 89 GLN HB3 H 1 2.032 0.004 . 2 . . . . 85 GLN HB3 . 6911 1 855 . 1 1 89 89 GLN HG2 H 1 2.522 0.004 . 2 . . . . 85 GLN HG2 . 6911 1 856 . 1 1 89 89 GLN HG3 H 1 2.375 0.004 . 2 . . . . 85 GLN HG3 . 6911 1 857 . 1 1 89 89 GLN CA C 13 56.248 0.010 . 1 . . . . 85 GLN CA . 6911 1 858 . 1 1 89 89 GLN CB C 13 26.501 0.010 . 1 . . . . 85 GLN CB . 6911 1 859 . 1 1 89 89 GLN CG C 13 31.751 0.010 . 1 . . . . 85 GLN CG . 6911 1 860 . 1 1 89 89 GLN N N 15 118.978 0.010 . 1 . . . . 85 GLN N . 6911 1 861 . 1 1 90 90 SER H H 1 7.551 0.004 . 1 . . . . 86 SER HN . 6911 1 862 . 1 1 90 90 SER HA H 1 4.194 0.004 . 1 . . . . 86 SER HA . 6911 1 863 . 1 1 90 90 SER HB2 H 1 3.955 0.004 . 1 . . . . 86 SER QB . 6911 1 864 . 1 1 90 90 SER HB3 H 1 3.955 0.004 . 1 . . . . 86 SER QB . 6911 1 865 . 1 1 90 90 SER CA C 13 57.498 0.010 . 1 . . . . 86 SER CA . 6911 1 866 . 1 1 90 90 SER CB C 13 61.498 0.010 . 1 . . . . 86 SER CB . 6911 1 867 . 1 1 90 90 SER N N 15 112.694 0.010 . 1 . . . . 86 SER N . 6911 1 868 . 1 1 91 91 ILE H H 1 7.131 0.004 . 1 . . . . 87 ILE HN . 6911 1 869 . 1 1 91 91 ILE HA H 1 4.247 0.004 . 1 . . . . 87 ILE HA . 6911 1 870 . 1 1 91 91 ILE HB H 1 1.993 0.004 . 1 . . . . 87 ILE HB . 6911 1 871 . 1 1 91 91 ILE HG12 H 1 1.883 0.004 . 2 . . . . 87 ILE HG12 . 6911 1 872 . 1 1 91 91 ILE HG13 H 1 1.498 0.004 . 2 . . . . 87 ILE HG13 . 6911 1 873 . 1 1 91 91 ILE HG21 H 1 1.067 0.004 . 1 . . . . 87 ILE QG2 . 6911 1 874 . 1 1 91 91 ILE HG22 H 1 1.067 0.004 . 1 . . . . 87 ILE QG2 . 6911 1 875 . 1 1 91 91 ILE HG23 H 1 1.067 0.004 . 1 . . . . 87 ILE QG2 . 6911 1 876 . 1 1 91 91 ILE HD11 H 1 0.904 0.004 . 1 . . . . 87 ILE QD1 . 6911 1 877 . 1 1 91 91 ILE HD12 H 1 0.904 0.004 . 1 . . . . 87 ILE QD1 . 6911 1 878 . 1 1 91 91 ILE HD13 H 1 0.904 0.004 . 1 . . . . 87 ILE QD1 . 6911 1 879 . 1 1 91 91 ILE CA C 13 56.498 0.010 . 1 . . . . 87 ILE CA . 6911 1 880 . 1 1 91 91 ILE CB C 13 36.500 0.010 . 1 . . . . 87 ILE CB . 6911 1 881 . 1 1 91 91 ILE CG1 C 13 25.001 0.010 . 1 . . . . 87 ILE CG1 . 6911 1 882 . 1 1 91 91 ILE CG2 C 13 14.502 0.010 . 1 . . . . 87 ILE CG2 . 6911 1 883 . 1 1 91 91 ILE CD1 C 13 10.503 0.010 . 1 . . . . 87 ILE CD1 . 6911 1 884 . 1 1 91 91 ILE N N 15 125.614 0.010 . 1 . . . . 87 ILE N . 6911 1 885 . 1 1 92 92 PRO HA H 1 4.355 0.004 . 1 . . . . 88 PRO HA . 6911 1 886 . 1 1 92 92 PRO HB2 H 1 2.210 0.004 . 2 . . . . 88 PRO HB2 . 6911 1 887 . 1 1 92 92 PRO HB3 H 1 1.699 0.004 . 2 . . . . 88 PRO HB3 . 6911 1 888 . 1 1 92 92 PRO HG2 H 1 1.919 0.004 . 1 . . . . 88 PRO QG . 6911 1 889 . 1 1 92 92 PRO HG3 H 1 1.919 0.004 . 1 . . . . 88 PRO QG . 6911 1 890 . 1 1 92 92 PRO HD2 H 1 4.008 0.004 . 2 . . . . 88 PRO HD2 . 6911 1 891 . 1 1 92 92 PRO HD3 H 1 3.528 0.004 . 2 . . . . 88 PRO HD3 . 6911 1 892 . 1 1 92 92 PRO CA C 13 60.498 0.010 . 1 . . . . 88 PRO CA . 6911 1 893 . 1 1 92 92 PRO CB C 13 30.001 0.010 . 1 . . . . 88 PRO CB . 6911 1 894 . 1 1 92 92 PRO CG C 13 25.251 0.010 . 1 . . . . 88 PRO CG . 6911 1 895 . 1 1 92 92 PRO CD C 13 48.749 0.010 . 1 . . . . 88 PRO CD . 6911 1 896 . 1 1 93 93 ILE H H 1 8.248 0.004 . 1 . . . . 89 ILE HN . 6911 1 897 . 1 1 93 93 ILE HA H 1 2.996 0.004 . 1 . . . . 89 ILE HA . 6911 1 898 . 1 1 93 93 ILE HB H 1 1.489 0.004 . 1 . . . . 89 ILE HB . 6911 1 899 . 1 1 93 93 ILE HG12 H 1 0.802 0.004 . 2 . . . . 89 ILE HG12 . 6911 1 900 . 1 1 93 93 ILE HG13 H 1 0.766 0.004 . 2 . . . . 89 ILE HG13 . 6911 1 901 . 1 1 93 93 ILE HG21 H 1 0.641 0.004 . 1 . . . . 89 ILE QG2 . 6911 1 902 . 1 1 93 93 ILE HG22 H 1 0.641 0.004 . 1 . . . . 89 ILE QG2 . 6911 1 903 . 1 1 93 93 ILE HG23 H 1 0.641 0.004 . 1 . . . . 89 ILE QG2 . 6911 1 904 . 1 1 93 93 ILE CA C 13 62.248 0.010 . 1 . . . . 89 ILE CA . 6911 1 905 . 1 1 93 93 ILE CB C 13 35.000 0.010 . 1 . . . . 89 ILE CB . 6911 1 906 . 1 1 93 93 ILE CG1 C 13 26.251 0.010 . 1 . . . . 89 ILE CG1 . 6911 1 907 . 1 1 93 93 ILE CG2 C 13 14.752 0.010 . 1 . . . . 89 ILE CG2 . 6911 1 908 . 1 1 93 93 ILE N N 15 120.813 0.010 . 1 . . . . 89 ILE N . 6911 1 909 . 1 1 94 94 GLY H H 1 8.534 0.004 . 1 . . . . 90 GLY HN . 6911 1 910 . 1 1 94 94 GLY HA2 H 1 4.322 0.004 . 2 . . . . 90 GLY HA1 . 6911 1 911 . 1 1 94 94 GLY HA3 H 1 3.013 0.004 . 2 . . . . 90 GLY HA2 . 6911 1 912 . 1 1 94 94 GLY CA C 13 42.500 0.010 . 1 . . . . 90 GLY CA . 6911 1 913 . 1 1 94 94 GLY N N 15 116.051 0.010 . 1 . . . . 90 GLY N . 6911 1 914 . 1 1 95 95 ALA H H 1 7.917 0.004 . 1 . . . . 91 ALA HN . 6911 1 915 . 1 1 95 95 ALA HA H 1 4.580 0.004 . 1 . . . . 91 ALA HA . 6911 1 916 . 1 1 95 95 ALA HB1 H 1 1.505 0.004 . 1 . . . . 91 ALA QB . 6911 1 917 . 1 1 95 95 ALA HB2 H 1 1.505 0.004 . 1 . . . . 91 ALA QB . 6911 1 918 . 1 1 95 95 ALA HB3 H 1 1.505 0.004 . 1 . . . . 91 ALA QB . 6911 1 919 . 1 1 95 95 ALA CA C 13 48.999 0.010 . 1 . . . . 91 ALA CA . 6911 1 920 . 1 1 95 95 ALA CB C 13 17.752 0.010 . 1 . . . . 91 ALA CB . 6911 1 921 . 1 1 95 95 ALA N N 15 124.248 0.010 . 1 . . . . 91 ALA N . 6911 1 922 . 1 1 96 96 SER H H 1 8.237 0.004 . 1 . . . . 92 SER HN . 6911 1 923 . 1 1 96 96 SER HA H 1 5.694 0.004 . 1 . . . . 92 SER HA . 6911 1 924 . 1 1 96 96 SER HB2 H 1 3.546 0.004 . 2 . . . . 92 SER HB2 . 6911 1 925 . 1 1 96 96 SER HB3 H 1 3.443 0.004 . 2 . . . . 92 SER HB3 . 6911 1 926 . 1 1 96 96 SER CA C 13 54.998 0.010 . 1 . . . . 92 SER CA . 6911 1 927 . 1 1 96 96 SER CB C 13 63.747 0.010 . 1 . . . . 92 SER CB . 6911 1 928 . 1 1 96 96 SER N N 15 112.226 0.010 . 1 . . . . 92 SER N . 6911 1 929 . 1 1 97 97 VAL H H 1 8.946 0.004 . 1 . . . . 93 VAL HN . 6911 1 930 . 1 1 97 97 VAL HA H 1 4.749 0.004 . 1 . . . . 93 VAL HA . 6911 1 931 . 1 1 97 97 VAL HB H 1 1.732 0.004 . 1 . . . . 93 VAL HB . 6911 1 932 . 1 1 97 97 VAL HG11 H 1 0.758 0.004 . 2 . . . . 93 VAL QG1 . 6911 1 933 . 1 1 97 97 VAL HG12 H 1 0.758 0.004 . 2 . . . . 93 VAL QG1 . 6911 1 934 . 1 1 97 97 VAL HG13 H 1 0.758 0.004 . 2 . . . . 93 VAL QG1 . 6911 1 935 . 1 1 97 97 VAL HG21 H 1 0.371 0.004 . 2 . . . . 93 VAL QG2 . 6911 1 936 . 1 1 97 97 VAL HG22 H 1 0.371 0.004 . 2 . . . . 93 VAL QG2 . 6911 1 937 . 1 1 97 97 VAL HG23 H 1 0.371 0.004 . 2 . . . . 93 VAL QG2 . 6911 1 938 . 1 1 97 97 VAL CA C 13 56.498 0.010 . 1 . . . . 93 VAL CA . 6911 1 939 . 1 1 97 97 VAL CB C 13 33.500 0.010 . 1 . . . . 93 VAL CB . 6911 1 940 . 1 1 97 97 VAL CG1 C 13 20.502 0.010 . 2 . . . . 93 VAL CG1 . 6911 1 941 . 1 1 97 97 VAL CG2 C 13 18.502 0.010 . 2 . . . . 93 VAL CG2 . 6911 1 942 . 1 1 97 97 VAL N N 15 120.383 0.010 . 1 . . . . 93 VAL N . 6911 1 943 . 1 1 98 98 ASP H H 1 8.292 0.004 . 1 . . . . 94 ASP HN . 6911 1 944 . 1 1 98 98 ASP HA H 1 5.113 0.004 . 1 . . . . 94 ASP HA . 6911 1 945 . 1 1 98 98 ASP HB2 H 1 2.573 0.004 . 2 . . . . 94 ASP HB2 . 6911 1 946 . 1 1 98 98 ASP HB3 H 1 2.528 0.004 . 2 . . . . 94 ASP HB3 . 6911 1 947 . 1 1 98 98 ASP CA C 13 51.249 0.010 . 1 . . . . 94 ASP CA . 6911 1 948 . 1 1 98 98 ASP CB C 13 40.500 0.010 . 1 . . . . 94 ASP CB . 6911 1 949 . 1 1 98 98 ASP N N 15 125.497 0.010 . 1 . . . . 94 ASP N . 6911 1 950 . 1 1 99 99 LEU H H 1 9.033 0.004 . 1 . . . . 95 LEU HN . 6911 1 951 . 1 1 99 99 LEU HA H 1 5.010 0.004 . 1 . . . . 95 LEU HA . 6911 1 952 . 1 1 99 99 LEU HB2 H 1 1.403 0.004 . 2 . . . . 95 LEU HB2 . 6911 1 953 . 1 1 99 99 LEU HB3 H 1 0.968 0.004 . 2 . . . . 95 LEU HB3 . 6911 1 954 . 1 1 99 99 LEU HG H 1 0.382 0.004 . 1 . . . . 95 LEU HG . 6911 1 955 . 1 1 99 99 LEU HD11 H 1 1.351 0.004 . 2 . . . . 95 LEU QD1 . 6911 1 956 . 1 1 99 99 LEU HD12 H 1 1.351 0.004 . 2 . . . . 95 LEU QD1 . 6911 1 957 . 1 1 99 99 LEU HD13 H 1 1.351 0.004 . 2 . . . . 95 LEU QD1 . 6911 1 958 . 1 1 99 99 LEU HD21 H 1 0.791 0.004 . 2 . . . . 95 LEU QD2 . 6911 1 959 . 1 1 99 99 LEU HD22 H 1 0.791 0.004 . 2 . . . . 95 LEU QD2 . 6911 1 960 . 1 1 99 99 LEU HD23 H 1 0.791 0.004 . 2 . . . . 95 LEU QD2 . 6911 1 961 . 1 1 99 99 LEU CA C 13 51.249 0.010 . 1 . . . . 95 LEU CA . 6911 1 962 . 1 1 99 99 LEU CB C 13 43.499 0.010 . 1 . . . . 95 LEU CB . 6911 1 963 . 1 1 99 99 LEU CG C 13 24.251 0.010 . 1 . . . . 95 LEU CG . 6911 1 964 . 1 1 99 99 LEU CD1 C 13 24.251 0.010 . 2 . . . . 95 LEU CD1 . 6911 1 965 . 1 1 99 99 LEU CD2 C 13 22.752 0.010 . 2 . . . . 95 LEU CD2 . 6911 1 966 . 1 1 99 99 LEU N N 15 123.935 0.010 . 1 . . . . 95 LEU N . 6911 1 967 . 1 1 100 100 GLU H H 1 7.981 0.004 . 1 . . . . 96 GLU HN . 6911 1 968 . 1 1 100 100 GLU HA H 1 4.833 0.004 . 1 . . . . 96 GLU HA . 6911 1 969 . 1 1 100 100 GLU HB2 H 1 1.981 0.004 . 2 . . . . 96 GLU HB2 . 6911 1 970 . 1 1 100 100 GLU HB3 H 1 1.703 0.004 . 2 . . . . 96 GLU HB3 . 6911 1 971 . 1 1 100 100 GLU HG2 H 1 1.795 0.004 . 1 . . . . 96 GLU QG . 6911 1 972 . 1 1 100 100 GLU HG3 H 1 1.795 0.004 . 1 . . . . 96 GLU QG . 6911 1 973 . 1 1 100 100 GLU CA C 13 52.749 0.010 . 1 . . . . 96 GLU CA . 6911 1 974 . 1 1 100 100 GLU CB C 13 30.501 0.010 . 1 . . . . 96 GLU CB . 6911 1 975 . 1 1 100 100 GLU CG C 13 34.000 0.010 . 1 . . . . 96 GLU CG . 6911 1 976 . 1 1 100 100 GLU N N 15 122.374 0.010 . 1 . . . . 96 GLU N . 6911 1 977 . 1 1 101 101 LEU H H 1 9.325 0.004 . 1 . . . . 97 LEU HN . 6911 1 978 . 1 1 101 101 LEU HA H 1 5.489 0.004 . 1 . . . . 97 LEU HA . 6911 1 979 . 1 1 101 101 LEU HB2 H 1 1.453 0.004 . 2 . . . . 97 LEU HB2 . 6911 1 980 . 1 1 101 101 LEU HB3 H 1 1.212 0.004 . 2 . . . . 97 LEU HB3 . 6911 1 981 . 1 1 101 101 LEU HG H 1 1.333 0.004 . 1 . . . . 97 LEU HG . 6911 1 982 . 1 1 101 101 LEU HD11 H 1 0.542 0.004 . 2 . . . . 97 LEU QD1 . 6911 1 983 . 1 1 101 101 LEU HD12 H 1 0.542 0.004 . 2 . . . . 97 LEU QD1 . 6911 1 984 . 1 1 101 101 LEU HD13 H 1 0.542 0.004 . 2 . . . . 97 LEU QD1 . 6911 1 985 . 1 1 101 101 LEU HD21 H 1 0.545 0.004 . 2 . . . . 97 LEU QQD . 6911 1 986 . 1 1 101 101 LEU HD22 H 1 0.545 0.004 . 2 . . . . 97 LEU QQD . 6911 1 987 . 1 1 101 101 LEU HD23 H 1 0.545 0.004 . 2 . . . . 97 LEU QQD . 6911 1 988 . 1 1 101 101 LEU CA C 13 50.249 0.010 . 1 . . . . 97 LEU CA . 6911 1 989 . 1 1 101 101 LEU CB C 13 42.500 0.010 . 1 . . . . 97 LEU CB . 6911 1 990 . 1 1 101 101 LEU CG C 13 25.001 0.010 . 1 . . . . 97 LEU CG . 6911 1 991 . 1 1 101 101 LEU CD1 C 13 22.752 0.010 . 1 . . . . 97 LEU CD1 . 6911 1 992 . 1 1 101 101 LEU N N 15 126.238 0.010 . 1 . . . . 97 LEU N . 6911 1 993 . 1 1 102 102 CYS H H 1 8.969 0.004 . 1 . . . . 98 CYS HN . 6911 1 994 . 1 1 102 102 CYS HA H 1 4.793 0.004 . 1 . . . . 98 CYS HA . 6911 1 995 . 1 1 102 102 CYS HB2 H 1 1.890 0.004 . 1 . . . . 98 CYS QB . 6911 1 996 . 1 1 102 102 CYS HB3 H 1 1.890 0.004 . 1 . . . . 98 CYS QB . 6911 1 997 . 1 1 102 102 CYS CA C 13 54.498 0.010 . 1 . . . . 98 CYS CA . 6911 1 998 . 1 1 102 102 CYS CB C 13 26.501 0.010 . 1 . . . . 98 CYS CB . 6911 1 999 . 1 1 102 102 CYS N N 15 118.471 0.010 . 1 . . . . 98 CYS N . 6911 1 1000 . 1 1 103 103 ARG H H 1 9.762 0.004 . 1 . . . . 99 ARG HN . 6911 1 1001 . 1 1 103 103 ARG CA C 13 54.290 0.010 . 1 . . . . 99 ARG CA . 6911 1 1002 . 1 1 103 103 ARG CB C 13 30.892 0.010 . 1 . . . . 99 ARG CB . 6911 1 1003 . 1 1 103 103 ARG N N 15 136.660 0.010 . 1 . . . . 99 ARG N . 6911 1 1004 . 1 1 104 104 GLY H H 1 8.640 0.004 . 1 . . . . 100 GLY HN . 6911 1 1005 . 1 1 104 104 GLY HA2 H 1 4.236 0.004 . 2 . . . . 100 GLY HA1 . 6911 1 1006 . 1 1 104 104 GLY HA3 H 1 3.395 0.004 . 2 . . . . 100 GLY HA2 . 6911 1 1007 . 1 1 104 104 GLY CA C 13 43.000 0.010 . 1 . . . . 100 GLY CA . 6911 1 1008 . 1 1 104 104 GLY N N 15 115.621 0.010 . 1 . . . . 100 GLY N . 6911 1 1009 . 1 1 105 105 TYR H H 1 9.504 0.004 . 1 . . . . 101 TYR HN . 6911 1 1010 . 1 1 105 105 TYR HA H 1 4.651 0.004 . 1 . . . . 101 TYR HA . 6911 1 1011 . 1 1 105 105 TYR HB2 H 1 2.965 0.004 . 2 . . . . 101 TYR HB2 . 6911 1 1012 . 1 1 105 105 TYR HB3 H 1 2.789 0.004 . 2 . . . . 101 TYR HB3 . 6911 1 1013 . 1 1 105 105 TYR CA C 13 54.248 0.010 . 1 . . . . 101 TYR CA . 6911 1 1014 . 1 1 105 105 TYR CB C 13 34.750 0.010 . 1 . . . . 101 TYR CB . 6911 1 1015 . 1 1 105 105 TYR N N 15 123.974 0.010 . 1 . . . . 101 TYR N . 6911 1 1016 . 1 1 106 106 PRO HA H 1 4.469 0.004 . 1 . . . . 102 PRO HA . 6911 1 1017 . 1 1 106 106 PRO HB2 H 1 2.165 0.004 . 2 . . . . 102 PRO HB2 . 6911 1 1018 . 1 1 106 106 PRO HB3 H 1 1.926 0.004 . 2 . . . . 102 PRO HB3 . 6911 1 1019 . 1 1 106 106 PRO CA C 13 59.748 0.010 . 1 . . . . 102 PRO CA . 6911 1 1020 . 1 1 106 106 PRO CB C 13 29.751 0.010 . 1 . . . . 102 PRO CB . 6911 1 1021 . 1 1 107 107 LEU H H 1 8.557 0.004 . 1 . . . . 103 LEU HN . 6911 1 1022 . 1 1 107 107 LEU HA H 1 4.352 0.004 . 1 . . . . 103 LEU HA . 6911 1 1023 . 1 1 107 107 LEU HB2 H 1 1.490 0.004 . 2 . . . . 103 LEU HB2 . 6911 1 1024 . 1 1 107 107 LEU HB3 H 1 1.423 0.004 . 2 . . . . 103 LEU HB3 . 6911 1 1025 . 1 1 107 107 LEU HG H 1 1.552 0.004 . 1 . . . . 103 LEU HG . 6911 1 1026 . 1 1 107 107 LEU HD11 H 1 0.864 0.004 . 2 . . . . 103 LEU QD1 . 6911 1 1027 . 1 1 107 107 LEU HD12 H 1 0.864 0.004 . 2 . . . . 103 LEU QD1 . 6911 1 1028 . 1 1 107 107 LEU HD13 H 1 0.864 0.004 . 2 . . . . 103 LEU QD1 . 6911 1 1029 . 1 1 107 107 LEU HD21 H 1 0.768 0.004 . 2 . . . . 103 LEU QD2 . 6911 1 1030 . 1 1 107 107 LEU HD22 H 1 0.768 0.004 . 2 . . . . 103 LEU QD2 . 6911 1 1031 . 1 1 107 107 LEU HD23 H 1 0.768 0.004 . 2 . . . . 103 LEU QD2 . 6911 1 1032 . 1 1 107 107 LEU CA C 13 51.201 0.010 . 1 . . . . 103 LEU CA . 6911 1 1033 . 1 1 107 107 LEU CB C 13 39.750 0.010 . 1 . . . . 103 LEU CB . 6911 1 1034 . 1 1 107 107 LEU CG C 13 25.251 0.010 . 1 . . . . 103 LEU CG . 6911 1 1035 . 1 1 107 107 LEU CD1 C 13 23.251 0.010 . 2 . . . . 103 LEU CD1 . 6911 1 1036 . 1 1 107 107 LEU CD2 C 13 22.002 0.010 . 2 . . . . 103 LEU CD2 . 6911 1 1037 . 1 1 107 107 LEU N N 15 122.452 0.010 . 1 . . . . 103 LEU N . 6911 1 1038 . 1 1 108 108 PRO HA H 1 4.416 0.004 . 1 . . . . 104 PRO HA . 6911 1 1039 . 1 1 108 108 PRO HB2 H 1 2.318 0.004 . 2 . . . . 104 PRO HB2 . 6911 1 1040 . 1 1 108 108 PRO HB3 H 1 1.842 0.004 . 2 . . . . 104 PRO HB3 . 6911 1 1041 . 1 1 108 108 PRO HG2 H 1 1.978 0.004 . 1 . . . . 104 PRO QG . 6911 1 1042 . 1 1 108 108 PRO HG3 H 1 1.978 0.004 . 1 . . . . 104 PRO QG . 6911 1 1043 . 1 1 108 108 PRO HD2 H 1 3.799 0.004 . 2 . . . . 104 PRO HD2 . 6911 1 1044 . 1 1 108 108 PRO HD3 H 1 3.570 0.004 . 2 . . . . 104 PRO HD3 . 6911 1 1045 . 1 1 108 108 PRO CA C 13 60.498 0.010 . 1 . . . . 104 PRO CA . 6911 1 1046 . 1 1 108 108 PRO CB C 13 30.251 0.010 . 1 . . . . 104 PRO CB . 6911 1 1047 . 1 1 108 108 PRO CG C 13 25.001 0.010 . 1 . . . . 104 PRO CG . 6911 1 1048 . 1 1 108 108 PRO CD C 13 48.499 0.010 . 1 . . . . 104 PRO CD . 6911 1 1049 . 1 1 109 109 PHE H H 1 8.338 0.004 . 1 . . . . 105 PHE HN . 6911 1 1050 . 1 1 109 109 PHE HA H 1 4.258 0.004 . 1 . . . . 105 PHE HA . 6911 1 1051 . 1 1 109 109 PHE HB2 H 1 3.239 0.004 . 2 . . . . 105 PHE HB2 . 6911 1 1052 . 1 1 109 109 PHE HB3 H 1 2.810 0.004 . 2 . . . . 105 PHE HB3 . 6911 1 1053 . 1 1 109 109 PHE CA C 13 56.498 0.010 . 1 . . . . 105 PHE CA . 6911 1 1054 . 1 1 109 109 PHE CB C 13 37.000 0.010 . 1 . . . . 105 PHE CB . 6911 1 1055 . 1 1 109 109 PHE N N 15 121.437 0.010 . 1 . . . . 105 PHE N . 6911 1 1056 . 1 1 110 110 ASP H H 1 7.016 0.004 . 1 . . . . 106 ASP HN . 6911 1 1057 . 1 1 110 110 ASP HA H 1 3.035 0.004 . 1 . . . . 106 ASP HA . 6911 1 1058 . 1 1 110 110 ASP HB2 H 1 2.496 0.004 . 2 . . . . 106 ASP HB2 . 6911 1 1059 . 1 1 110 110 ASP HB3 H 1 2.067 0.004 . 2 . . . . 106 ASP HB3 . 6911 1 1060 . 1 1 110 110 ASP CA C 13 55.498 0.010 . 1 . . . . 106 ASP CA . 6911 1 1061 . 1 1 110 110 ASP CB C 13 39.500 0.010 . 1 . . . . 106 ASP CB . 6911 1 1062 . 1 1 110 110 ASP N N 15 124.599 0.010 . 1 . . . . 106 ASP N . 6911 1 1063 . 1 1 111 111 PRO HA H 1 4.049 0.004 . 1 . . . . 107 PRO HA . 6911 1 1064 . 1 1 111 111 PRO HB2 H 1 2.214 0.004 . 2 . . . . 107 PRO HB2 . 6911 1 1065 . 1 1 111 111 PRO HB3 H 1 1.878 0.004 . 2 . . . . 107 PRO HB3 . 6911 1 1066 . 1 1 111 111 PRO HG2 H 1 1.894 0.004 . 2 . . . . 107 PRO HG2 . 6911 1 1067 . 1 1 111 111 PRO HG3 H 1 1.831 0.004 . 2 . . . . 107 PRO HG3 . 6911 1 1068 . 1 1 111 111 PRO HD2 H 1 3.735 0.004 . 2 . . . . 107 PRO HD2 . 6911 1 1069 . 1 1 111 111 PRO HD3 H 1 3.405 0.004 . 2 . . . . 107 PRO HD3 . 6911 1 1070 . 1 1 111 111 PRO CA C 13 61.248 0.010 . 1 . . . . 107 PRO CA . 6911 1 1071 . 1 1 111 111 PRO CB C 13 30.001 0.010 . 1 . . . . 107 PRO CB . 6911 1 1072 . 1 1 111 111 PRO CG C 13 24.501 0.010 . 1 . . . . 107 PRO CG . 6911 1 1073 . 1 1 111 111 PRO CD C 13 48.499 0.010 . 1 . . . . 107 PRO CD . 6911 1 1074 . 1 1 112 112 ASP H H 1 8.041 0.004 . 1 . . . . 108 ASP HN . 6911 1 1075 . 1 1 112 112 ASP HA H 1 4.514 0.004 . 1 . . . . 108 ASP HA . 6911 1 1076 . 1 1 112 112 ASP HB2 H 1 2.604 0.004 . 2 . . . . 108 ASP HB2 . 6911 1 1077 . 1 1 112 112 ASP HB3 H 1 2.406 0.004 . 2 . . . . 108 ASP HB3 . 6911 1 1078 . 1 1 112 112 ASP CA C 13 51.999 0.010 . 1 . . . . 108 ASP CA . 6911 1 1079 . 1 1 112 112 ASP CB C 13 38.750 0.010 . 1 . . . . 108 ASP CB . 6911 1 1080 . 1 1 112 112 ASP N N 15 117.690 0.010 . 1 . . . . 108 ASP N . 6911 1 1081 . 1 1 113 113 ASP H H 1 7.519 0.004 . 1 . . . . 109 ASP HN . 6911 1 1082 . 1 1 113 113 ASP HA H 1 4.751 0.004 . 1 . . . . 109 ASP HA . 6911 1 1083 . 1 1 113 113 ASP HB2 H 1 2.727 0.004 . 2 . . . . 109 ASP HB2 . 6911 1 1084 . 1 1 113 113 ASP HB3 H 1 2.397 0.004 . 2 . . . . 109 ASP HB3 . 6911 1 1085 . 1 1 113 113 ASP CA C 13 49.249 0.010 . 1 . . . . 109 ASP CA . 6911 1 1086 . 1 1 113 113 ASP CB C 13 39.250 0.010 . 1 . . . . 109 ASP CB . 6911 1 1087 . 1 1 113 113 ASP N N 15 120.930 0.010 . 1 . . . . 109 ASP N . 6911 1 1088 . 1 1 114 114 PRO HA H 1 4.334 0.004 . 1 . . . . 110 PRO HA . 6911 1 1089 . 1 1 114 114 PRO HB2 H 1 2.186 0.004 . 2 . . . . 110 PRO HB2 . 6911 1 1090 . 1 1 114 114 PRO HB3 H 1 1.876 0.004 . 2 . . . . 110 PRO HB3 . 6911 1 1091 . 1 1 114 114 PRO HD2 H 1 3.744 0.004 . 1 . . . . 110 PRO QD . 6911 1 1092 . 1 1 114 114 PRO HD3 H 1 3.744 0.004 . 1 . . . . 110 PRO QD . 6911 1 1093 . 1 1 114 114 PRO CA C 13 61.498 0.010 . 1 . . . . 110 PRO CA . 6911 1 1094 . 1 1 114 114 PRO CB C 13 30.001 0.010 . 1 . . . . 110 PRO CB . 6911 1 1095 . 1 1 114 114 PRO CD C 13 48.249 0.010 . 1 . . . . 110 PRO CD . 6911 1 1096 . 1 1 115 115 ASN H H 1 8.443 0.004 . 1 . . . . 111 ASN HN . 6911 1 1097 . 1 1 115 115 ASN HA H 1 4.595 0.004 . 1 . . . . 111 ASN HA . 6911 1 1098 . 1 1 115 115 ASN HB2 H 1 2.731 0.004 . 1 . . . . 111 ASN QB . 6911 1 1099 . 1 1 115 115 ASN HB3 H 1 2.731 0.004 . 1 . . . . 111 ASN QB . 6911 1 1100 . 1 1 115 115 ASN CA C 13 51.499 0.010 . 1 . . . . 111 ASN CA . 6911 1 1101 . 1 1 115 115 ASN CB C 13 36.250 0.010 . 1 . . . . 111 ASN CB . 6911 1 1102 . 1 1 115 115 ASN N N 15 117.183 0.010 . 1 . . . . 111 ASN N . 6911 1 1103 . 1 1 116 116 THR H H 1 7.849 0.004 . 1 . . . . 112 THR HN . 6911 1 1104 . 1 1 116 116 THR HA H 1 4.277 0.004 . 1 . . . . 112 THR HA . 6911 1 1105 . 1 1 116 116 THR HB H 1 4.098 0.004 . 1 . . . . 112 THR HB . 6911 1 1106 . 1 1 116 116 THR HG21 H 1 1.077 0.004 . 1 . . . . 112 THR QG2 . 6911 1 1107 . 1 1 116 116 THR HG22 H 1 1.077 0.004 . 1 . . . . 112 THR QG2 . 6911 1 1108 . 1 1 116 116 THR HG23 H 1 1.077 0.004 . 1 . . . . 112 THR QG2 . 6911 1 1109 . 1 1 116 116 THR CA C 13 59.498 0.010 . 1 . . . . 112 THR CA . 6911 1 1110 . 1 1 116 116 THR CB C 13 67.247 0.010 . 1 . . . . 112 THR CB . 6911 1 1111 . 1 1 116 116 THR CG2 C 13 19.252 0.010 . 1 . . . . 112 THR CG2 . 6911 1 1112 . 1 1 116 116 THR N N 15 113.006 0.010 . 1 . . . . 112 THR N . 6911 1 1113 . 1 1 117 117 SER HA H 1 4.396 0.004 . 1 . . . . 113 SER HA . 6911 1 1114 . 1 1 117 117 SER HB2 H 1 3.772 0.004 . 1 . . . . 113 SER QB . 6911 1 1115 . 1 1 117 117 SER HB3 H 1 3.772 0.004 . 1 . . . . 113 SER QB . 6911 1 1116 . 1 1 117 117 SER CA C 13 56.248 0.010 . 1 . . . . 113 SER CA . 6911 1 1117 . 1 1 117 117 SER CB C 13 61.498 0.010 . 1 . . . . 113 SER CB . 6911 1 1118 . 1 1 118 118 LEU H H 1 8.068 0.004 . 1 . . . . 114 LEU HN . 6911 1 1119 . 1 1 118 118 LEU HA H 1 4.234 0.004 . 1 . . . . 114 LEU HA . 6911 1 1120 . 1 1 118 118 LEU HB2 H 1 1.458 0.004 . 1 . . . . 114 LEU QB . 6911 1 1121 . 1 1 118 118 LEU HB3 H 1 1.458 0.004 . 1 . . . . 114 LEU QB . 6911 1 1122 . 1 1 118 118 LEU CA C 13 52.999 0.010 . 1 . . . . 114 LEU CA . 6911 1 1123 . 1 1 118 118 LEU CB C 13 40.000 0.010 . 1 . . . . 114 LEU CB . 6911 1 1124 . 1 1 118 118 LEU N N 15 123.857 0.010 . 1 . . . . 114 LEU N . 6911 1 1125 . 1 1 119 119 VAL H H 1 8.021 0.004 . 1 . . . . 115 VAL HN . 6911 1 1126 . 1 1 119 119 VAL HA H 1 4.055 0.004 . 1 . . . . 115 VAL HA . 6911 1 1127 . 1 1 119 119 VAL HB H 1 1.968 0.004 . 1 . . . . 115 VAL HB . 6911 1 1128 . 1 1 119 119 VAL HG11 H 1 0.818 0.004 . 1 . . . . 115 VAL QQG . 6911 1 1129 . 1 1 119 119 VAL HG12 H 1 0.818 0.004 . 1 . . . . 115 VAL QQG . 6911 1 1130 . 1 1 119 119 VAL HG13 H 1 0.818 0.004 . 1 . . . . 115 VAL QQG . 6911 1 1131 . 1 1 119 119 VAL HG21 H 1 0.818 0.004 . 1 . . . . 115 VAL QQG . 6911 1 1132 . 1 1 119 119 VAL HG22 H 1 0.818 0.004 . 1 . . . . 115 VAL QQG . 6911 1 1133 . 1 1 119 119 VAL HG23 H 1 0.818 0.004 . 1 . . . . 115 VAL QQG . 6911 1 1134 . 1 1 119 119 VAL CA C 13 59.998 0.010 . 1 . . . . 115 VAL CA . 6911 1 1135 . 1 1 119 119 VAL CB C 13 30.501 0.010 . 1 . . . . 115 VAL CB . 6911 1 1136 . 1 1 119 119 VAL CG1 C 13 18.502 0.010 . 1 . . . . 115 VAL CG1 . 6911 1 1137 . 1 1 119 119 VAL N N 15 121.171 0.010 . 1 . . . . 115 VAL N . 6911 1 1138 . 1 1 120 120 THR HA H 1 4.235 0.004 . 1 . . . . 116 THR HA . 6911 1 1139 . 1 1 120 120 THR HB H 1 4.222 0.004 . 1 . . . . 116 THR HB . 6911 1 1140 . 1 1 120 120 THR HG21 H 1 1.085 0.004 . 1 . . . . 116 THR QG2 . 6911 1 1141 . 1 1 120 120 THR HG22 H 1 1.085 0.004 . 1 . . . . 116 THR QG2 . 6911 1 1142 . 1 1 120 120 THR HG23 H 1 1.085 0.004 . 1 . . . . 116 THR QG2 . 6911 1 1143 . 1 1 120 120 THR CA C 13 59.998 0.010 . 1 . . . . 116 THR CA . 6911 1 1144 . 1 1 120 120 THR CB C 13 67.247 0.010 . 1 . . . . 116 THR CB . 6911 1 1145 . 1 1 120 120 THR CG2 C 13 19.502 0.010 . 1 . . . . 116 THR CG2 . 6911 1 1146 . 1 1 121 121 SER HA H 1 4.389 0.004 . 1 . . . . 117 SER HA . 6911 1 1147 . 1 1 121 121 SER HB2 H 1 3.736 0.004 . 1 . . . . 117 SER QB . 6911 1 1148 . 1 1 121 121 SER HB3 H 1 3.736 0.004 . 1 . . . . 117 SER QB . 6911 1 1149 . 1 1 121 121 SER CA C 13 55.998 0.010 . 1 . . . . 117 SER CA . 6911 1 1150 . 1 1 121 121 SER CB C 13 61.498 0.010 . 1 . . . . 117 SER CB . 6911 1 1151 . 1 1 122 122 VAL H H 1 8.021 0.004 . 1 . . . . 118 VAL HN . 6911 1 1152 . 1 1 122 122 VAL HA H 1 4.015 0.004 . 1 . . . . 118 VAL HA . 6911 1 1153 . 1 1 122 122 VAL HB H 1 1.955 0.004 . 1 . . . . 118 VAL HB . 6911 1 1154 . 1 1 122 122 VAL HG11 H 1 0.810 0.004 . 1 . . . . 118 VAL QQG . 6911 1 1155 . 1 1 122 122 VAL HG12 H 1 0.810 0.004 . 1 . . . . 118 VAL QQG . 6911 1 1156 . 1 1 122 122 VAL HG13 H 1 0.810 0.004 . 1 . . . . 118 VAL QQG . 6911 1 1157 . 1 1 122 122 VAL HG21 H 1 0.810 0.004 . 1 . . . . 118 VAL QQG . 6911 1 1158 . 1 1 122 122 VAL HG22 H 1 0.810 0.004 . 1 . . . . 118 VAL QQG . 6911 1 1159 . 1 1 122 122 VAL HG23 H 1 0.810 0.004 . 1 . . . . 118 VAL QQG . 6911 1 1160 . 1 1 122 122 VAL CA C 13 59.748 0.010 . 1 . . . . 118 VAL CA . 6911 1 1161 . 1 1 122 122 VAL CB C 13 30.501 0.010 . 1 . . . . 118 VAL CB . 6911 1 1162 . 1 1 122 122 VAL CG1 C 13 18.252 0.010 . 1 . . . . 118 VAL CG1 . 6911 1 1163 . 1 1 122 122 VAL N N 15 121.769 0.010 . 1 . . . . 118 VAL N . 6911 1 1164 . 1 1 123 123 ALA H H 1 8.210 0.004 . 1 . . . . 119 ALA HN . 6911 1 1165 . 1 1 123 123 ALA HA H 1 4.228 0.004 . 1 . . . . 119 ALA HA . 6911 1 1166 . 1 1 123 123 ALA HB1 H 1 1.283 0.004 . 1 . . . . 119 ALA QB . 6911 1 1167 . 1 1 123 123 ALA HB2 H 1 1.283 0.004 . 1 . . . . 119 ALA QB . 6911 1 1168 . 1 1 123 123 ALA HB3 H 1 1.283 0.004 . 1 . . . . 119 ALA QB . 6911 1 1169 . 1 1 123 123 ALA CA C 13 49.999 0.010 . 1 . . . . 119 ALA CA . 6911 1 1170 . 1 1 123 123 ALA CB C 13 17.002 0.010 . 1 . . . . 119 ALA CB . 6911 1 1171 . 1 1 123 123 ALA N N 15 127.682 0.010 . 1 . . . . 119 ALA N . 6911 1 1172 . 1 1 124 124 ILE H H 1 8.050 0.004 . 1 . . . . 120 ILE HN . 6911 1 1173 . 1 1 124 124 ILE HA H 1 3.997 0.004 . 1 . . . . 120 ILE HA . 6911 1 1174 . 1 1 124 124 ILE HB H 1 1.717 0.004 . 1 . . . . 120 ILE HB . 6911 1 1175 . 1 1 124 124 ILE HG12 H 1 1.358 0.004 . 2 . . . . 120 ILE HG12 . 6911 1 1176 . 1 1 124 124 ILE HG13 H 1 1.063 0.004 . 2 . . . . 120 ILE HG13 . 6911 1 1177 . 1 1 124 124 ILE HG21 H 1 0.773 0.004 . 1 . . . . 120 ILE QG2 . 6911 1 1178 . 1 1 124 124 ILE HG22 H 1 0.773 0.004 . 1 . . . . 120 ILE QG2 . 6911 1 1179 . 1 1 124 124 ILE HG23 H 1 0.773 0.004 . 1 . . . . 120 ILE QG2 . 6911 1 1180 . 1 1 124 124 ILE HD11 H 1 0.730 0.004 . 1 . . . . 120 ILE QD1 . 6911 1 1181 . 1 1 124 124 ILE HD12 H 1 0.730 0.004 . 1 . . . . 120 ILE QD1 . 6911 1 1182 . 1 1 124 124 ILE HD13 H 1 0.730 0.004 . 1 . . . . 120 ILE QD1 . 6911 1 1183 . 1 1 124 124 ILE CA C 13 58.748 0.010 . 1 . . . . 120 ILE CA . 6911 1 1184 . 1 1 124 124 ILE CB C 13 36.250 0.010 . 1 . . . . 120 ILE CB . 6911 1 1185 . 1 1 124 124 ILE CG1 C 13 25.001 0.010 . 1 . . . . 120 ILE CG1 . 6911 1 1186 . 1 1 124 124 ILE CG2 C 13 15.252 0.010 . 1 . . . . 120 ILE CG2 . 6911 1 1187 . 1 1 124 124 ILE CD1 C 13 10.253 0.010 . 1 . . . . 120 ILE CD1 . 6911 1 1188 . 1 1 124 124 ILE N N 15 120.813 0.010 . 1 . . . . 120 ILE N . 6911 1 1189 . 1 1 125 125 LEU H H 1 8.201 0.004 . 1 . . . . 121 LEU HN . 6911 1 1190 . 1 1 125 125 LEU HA H 1 4.266 0.004 . 1 . . . . 121 LEU HA . 6911 1 1191 . 1 1 125 125 LEU HB2 H 1 1.501 0.004 . 2 . . . . 121 LEU HB2 . 6911 1 1192 . 1 1 125 125 LEU HB3 H 1 1.450 0.004 . 2 . . . . 121 LEU HB3 . 6911 1 1193 . 1 1 125 125 LEU HG H 1 1.455 0.004 . 1 . . . . 121 LEU HG . 6911 1 1194 . 1 1 125 125 LEU HD11 H 1 0.785 0.004 . 2 . . . . 121 LEU QD1 . 6911 1 1195 . 1 1 125 125 LEU HD12 H 1 0.785 0.004 . 2 . . . . 121 LEU QD1 . 6911 1 1196 . 1 1 125 125 LEU HD13 H 1 0.785 0.004 . 2 . . . . 121 LEU QD1 . 6911 1 1197 . 1 1 125 125 LEU HD21 H 1 0.724 0.004 . 2 . . . . 121 LEU QD2 . 6911 1 1198 . 1 1 125 125 LEU HD22 H 1 0.724 0.004 . 2 . . . . 121 LEU QD2 . 6911 1 1199 . 1 1 125 125 LEU HD23 H 1 0.724 0.004 . 2 . . . . 121 LEU QD2 . 6911 1 1200 . 1 1 125 125 LEU CA C 13 52.499 0.010 . 1 . . . . 121 LEU CA . 6911 1 1201 . 1 1 125 125 LEU CB C 13 40.250 0.010 . 1 . . . . 121 LEU CB . 6911 1 1202 . 1 1 125 125 LEU CG C 13 24.501 0.010 . 1 . . . . 121 LEU CG . 6911 1 1203 . 1 1 125 125 LEU CD1 C 13 22.252 0.010 . 2 . . . . 121 LEU CD1 . 6911 1 1204 . 1 1 125 125 LEU CD2 C 13 21.002 0.010 . 2 . . . . 121 LEU CD2 . 6911 1 1205 . 1 1 125 125 LEU N N 15 126.472 0.010 . 1 . . . . 121 LEU N . 6911 1 1206 . 1 1 126 126 ASP H H 1 8.187 0.004 . 1 . . . . 122 ASP HN . 6911 1 1207 . 1 1 126 126 ASP HA H 1 4.445 0.004 . 1 . . . . 122 ASP HA . 6911 1 1208 . 1 1 126 126 ASP HB2 H 1 2.543 0.004 . 2 . . . . 122 ASP HB2 . 6911 1 1209 . 1 1 126 126 ASP HB3 H 1 2.465 0.004 . 2 . . . . 122 ASP HB3 . 6911 1 1210 . 1 1 126 126 ASP CA C 13 51.999 0.010 . 1 . . . . 122 ASP CA . 6911 1 1211 . 1 1 126 126 ASP CB C 13 38.750 0.010 . 1 . . . . 122 ASP CB . 6911 1 1212 . 1 1 126 126 ASP N N 15 121.281 0.010 . 1 . . . . 122 ASP N . 6911 1 1213 . 1 1 127 127 LYS H H 1 7.967 0.004 . 1 . . . . 123 LYS HN . 6911 1 1214 . 1 1 127 127 LYS HA H 1 4.213 0.004 . 1 . . . . 123 LYS HA . 6911 1 1215 . 1 1 127 127 LYS HB2 H 1 1.691 0.004 . 2 . . . . 123 LYS HB2 . 6911 1 1216 . 1 1 127 127 LYS HB3 H 1 1.606 0.004 . 2 . . . . 123 LYS HB3 . 6911 1 1217 . 1 1 127 127 LYS HG2 H 1 1.291 0.004 . 1 . . . . 123 LYS QG . 6911 1 1218 . 1 1 127 127 LYS HG3 H 1 1.291 0.004 . 1 . . . . 123 LYS QG . 6911 1 1219 . 1 1 127 127 LYS HD2 H 1 1.568 0.004 . 1 . . . . 123 LYS QD . 6911 1 1220 . 1 1 127 127 LYS HD3 H 1 1.568 0.004 . 1 . . . . 123 LYS QD . 6911 1 1221 . 1 1 127 127 LYS HE2 H 1 2.882 0.004 . 1 . . . . 123 LYS QE . 6911 1 1222 . 1 1 127 127 LYS HE3 H 1 2.882 0.004 . 1 . . . . 123 LYS QE . 6911 1 1223 . 1 1 127 127 LYS CA C 13 53.498 0.010 . 1 . . . . 123 LYS CA . 6911 1 1224 . 1 1 127 127 LYS CB C 13 31.251 0.010 . 1 . . . . 123 LYS CB . 6911 1 1225 . 1 1 127 127 LYS CG C 13 22.002 0.010 . 1 . . . . 123 LYS CG . 6911 1 1226 . 1 1 127 127 LYS CD C 13 26.751 0.010 . 1 . . . . 123 LYS CD . 6911 1 1227 . 1 1 127 127 LYS CE C 13 39.750 0.010 . 1 . . . . 123 LYS CE . 6911 1 1228 . 1 1 127 127 LYS N N 15 120.774 0.010 . 1 . . . . 123 LYS N . 6911 1 1229 . 1 1 128 128 GLU H H 1 8.370 0.004 . 1 . . . . 124 GLU HN . 6911 1 1230 . 1 1 128 128 GLU HA H 1 4.417 0.004 . 1 . . . . 124 GLU HA . 6911 1 1231 . 1 1 128 128 GLU HB2 H 1 1.958 0.004 . 2 . . . . 124 GLU HB2 . 6911 1 1232 . 1 1 128 128 GLU HB3 H 1 1.792 0.004 . 2 . . . . 124 GLU HB3 . 6911 1 1233 . 1 1 128 128 GLU HG2 H 1 2.202 0.004 . 1 . . . . 124 GLU QG . 6911 1 1234 . 1 1 128 128 GLU HG3 H 1 2.202 0.004 . 1 . . . . 124 GLU QG . 6911 1 1235 . 1 1 128 128 GLU CA C 13 51.999 0.010 . 1 . . . . 124 GLU CA . 6911 1 1236 . 1 1 128 128 GLU CB C 13 27.251 0.010 . 1 . . . . 124 GLU CB . 6911 1 1237 . 1 1 128 128 GLU CG C 13 33.750 0.010 . 1 . . . . 124 GLU CG . 6911 1 1238 . 1 1 128 128 GLU N N 15 124.482 0.010 . 1 . . . . 124 GLU N . 6911 1 stop_ save_