data_6928 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6928 _Entry.Title ; 1H, 13C, and 15N NMR Assignment of the Rep Protein Nuclease Domain from the Porcine Circovirus PCV2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-21 _Entry.Accession_date 2005-12-21 _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 Susana Vega . . . 6928 2 Ramon Campos-Olivas . . . 6928 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . CNIO . 6928 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6928 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 498 6928 '15N chemical shifts' 125 6928 '1H chemical shifts' 752 6928 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 2005-12-21 update BMRB 'complete entry citation' 6928 1 . . 2006-05-02 2005-12-21 original author 'original release' 6928 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6928 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16636755 _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N NMR Assignment of the Rep Protein Nuclease Domain from the Porcine Circovirus PCV2 ; _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 25 _Citation.Page_last 25 _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 Susana Rocha . V. . 6928 1 2 Ramon Campos-Olivas . . . 6928 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6928 _Assembly.ID 1 _Assembly.Name PCV2 _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 13251.9 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PCV2 1 $PCV2_Rep_(2-116) . . no native no no . . . 6928 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PCV2_Rep_(2-116) _Entity.Sf_category entity _Entity.Sf_framecode PCV2_Rep_(2-116) _Entity.Entry_ID 6928 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal DNA binding domain of Rep protein from the circovirus PCV2' _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 ; PSKKNGRSGPQPHKRWVFTL NNPSEDERKKIRDLPISLFD YFIVGEEGNEEGRTPHLQGF ANFVKKQTFNKVKWYLGARC HIEKAKGTDQQNKEYCSKEG NLLMECGAPRSQGQR ; _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 115 _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 13251.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2HW0 . "Nmr Solution Structure Of The Nuclease Domain From The Replicator Initiator Protein From Porcine Circovirus Pcv2" . . . . . 100.00 115 100.00 100.00 1.96e-79 . . . . 6928 1 2 no DBJ BAA88133 . "unnamed protein product [Porcine circovirus]" . . . . . 100.00 246 97.39 99.13 7.06e-76 . . . . 6928 1 3 no DBJ BAB69432 . "unnamed protein product [Porcine circovirus-2]" . . . . . 100.00 314 98.26 100.00 4.74e-76 . . . . 6928 1 4 no DBJ BAB69437 . "unnamed protein product [Porcine circovirus-2]" . . . . . 100.00 314 99.13 100.00 9.33e-77 . . . . 6928 1 5 no DBJ BAB69441 . "unnamed protein product [Porcine circovirus-2]" . . . . . 100.00 314 97.39 100.00 6.42e-76 . . . . 6928 1 6 no DBJ BAG12761 . "replicase [Porcine circovirus-2]" . . . . . 100.00 314 97.39 99.13 1.94e-75 . . . . 6928 1 7 no EMBL CAA11157 . "unnamed protein product [Porcine circovirus-2]" . . . . . 100.00 314 98.26 100.00 4.74e-76 . . . . 6928 1 8 no EMBL CAC41083 . "replication-associated protein [Porcine circovirus-2]" . . . . . 100.00 314 97.39 99.13 2.30e-75 . . . . 6928 1 9 no EMBL CAC41084 . "replication-associated protein [Porcine circovirus-2]" . . . . . 100.00 314 98.26 100.00 4.74e-76 . . . . 6928 1 10 no EMBL CAC41085 . "replication-associated protein [Porcine circovirus-2]" . . . . . 100.00 314 99.13 100.00 8.19e-77 . . . . 6928 1 11 no EMBL CAF25171 . "replicase [synthetic construct]" . . . . . 100.00 314 100.00 100.00 1.90e-77 . . . . 6928 1 12 no GB AAC35298 . "putative Rep protein (ORF1) [Porcine circovirus-2]" . . . . . 100.00 314 98.26 100.00 4.74e-76 . . . . 6928 1 13 no GB AAC35309 . "putative Rep protein (ORF1) [Porcine circovirus-2]" . . . . . 100.00 314 98.26 100.00 4.74e-76 . . . . 6928 1 14 no GB AAC35320 . "putative Rep protein (ORF1) [Porcine circovirus-2]" . . . . . 100.00 314 100.00 100.00 1.90e-77 . . . . 6928 1 15 no GB AAC35330 . "putative Rep protein (ORF1) [Porcine circovirus-2]" . . . . . 100.00 314 100.00 100.00 1.90e-77 . . . . 6928 1 16 no GB AAC59462 . "putative Rep protein [Porcine circovirus-2]" . . . . . 100.00 314 97.39 100.00 2.65e-75 . . . . 6928 1 17 no REF NP_937956 . "replicase [Porcine circovirus-2]" . . . . . 100.00 314 98.26 99.13 4.30e-76 . . . . 6928 1 18 no SP Q8BB16 . "RecName: Full=Replication-associated protein; AltName: Full=ATP-dependent helicase Rep; AltName: Full=RepP [Porcine circovirus-" . . . . . 100.00 314 97.39 99.13 7.42e-75 . . . . 6928 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Genome replication specificity determinant' 6928 1 'Initiation of circovirus replication (nuclease)' 6928 1 'Termination of replication (ligase)' 6928 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'NTD Rep PCV2' . 6928 1 'PCV2 Rep (2-116)' . 6928 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'Rep(2-116) of porcine circovirus 2' 'NCBI taxonomy' 6928 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'Rep(2-116) of PCV2' 6928 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 PRO . 6928 1 2 3 SER . 6928 1 3 4 LYS . 6928 1 4 5 LYS . 6928 1 5 6 ASN . 6928 1 6 7 GLY . 6928 1 7 8 ARG . 6928 1 8 9 SER . 6928 1 9 10 GLY . 6928 1 10 11 PRO . 6928 1 11 12 GLN . 6928 1 12 13 PRO . 6928 1 13 14 HIS . 6928 1 14 15 LYS . 6928 1 15 16 ARG . 6928 1 16 17 TRP . 6928 1 17 18 VAL . 6928 1 18 19 PHE . 6928 1 19 20 THR . 6928 1 20 21 LEU . 6928 1 21 22 ASN . 6928 1 22 23 ASN . 6928 1 23 24 PRO . 6928 1 24 25 SER . 6928 1 25 26 GLU . 6928 1 26 27 ASP . 6928 1 27 28 GLU . 6928 1 28 29 ARG . 6928 1 29 30 LYS . 6928 1 30 31 LYS . 6928 1 31 32 ILE . 6928 1 32 33 ARG . 6928 1 33 34 ASP . 6928 1 34 35 LEU . 6928 1 35 36 PRO . 6928 1 36 37 ILE . 6928 1 37 38 SER . 6928 1 38 39 LEU . 6928 1 39 40 PHE . 6928 1 40 41 ASP . 6928 1 41 42 TYR . 6928 1 42 43 PHE . 6928 1 43 44 ILE . 6928 1 44 45 VAL . 6928 1 45 46 GLY . 6928 1 46 47 GLU . 6928 1 47 48 GLU . 6928 1 48 49 GLY . 6928 1 49 50 ASN . 6928 1 50 51 GLU . 6928 1 51 52 GLU . 6928 1 52 53 GLY . 6928 1 53 54 ARG . 6928 1 54 55 THR . 6928 1 55 56 PRO . 6928 1 56 57 HIS . 6928 1 57 58 LEU . 6928 1 58 59 GLN . 6928 1 59 60 GLY . 6928 1 60 61 PHE . 6928 1 61 62 ALA . 6928 1 62 63 ASN . 6928 1 63 64 PHE . 6928 1 64 65 VAL . 6928 1 65 66 LYS . 6928 1 66 67 LYS . 6928 1 67 68 GLN . 6928 1 68 69 THR . 6928 1 69 70 PHE . 6928 1 70 71 ASN . 6928 1 71 72 LYS . 6928 1 72 73 VAL . 6928 1 73 74 LYS . 6928 1 74 75 TRP . 6928 1 75 76 TYR . 6928 1 76 77 LEU . 6928 1 77 78 GLY . 6928 1 78 79 ALA . 6928 1 79 80 ARG . 6928 1 80 81 CYS . 6928 1 81 82 HIS . 6928 1 82 83 ILE . 6928 1 83 84 GLU . 6928 1 84 85 LYS . 6928 1 85 86 ALA . 6928 1 86 87 LYS . 6928 1 87 88 GLY . 6928 1 88 89 THR . 6928 1 89 90 ASP . 6928 1 90 91 GLN . 6928 1 91 92 GLN . 6928 1 92 93 ASN . 6928 1 93 94 LYS . 6928 1 94 95 GLU . 6928 1 95 96 TYR . 6928 1 96 97 CYS . 6928 1 97 98 SER . 6928 1 98 99 LYS . 6928 1 99 100 GLU . 6928 1 100 101 GLY . 6928 1 101 102 ASN . 6928 1 102 103 LEU . 6928 1 103 104 LEU . 6928 1 104 105 MET . 6928 1 105 106 GLU . 6928 1 106 107 CYS . 6928 1 107 108 GLY . 6928 1 108 109 ALA . 6928 1 109 110 PRO . 6928 1 110 111 ARG . 6928 1 111 112 SER . 6928 1 112 113 GLN . 6928 1 113 114 GLY . 6928 1 114 115 GLN . 6928 1 115 116 ARG . 6928 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 . PRO 1 1 6928 1 . SER 2 2 6928 1 . LYS 3 3 6928 1 . LYS 4 4 6928 1 . ASN 5 5 6928 1 . GLY 6 6 6928 1 . ARG 7 7 6928 1 . SER 8 8 6928 1 . GLY 9 9 6928 1 . PRO 10 10 6928 1 . GLN 11 11 6928 1 . PRO 12 12 6928 1 . HIS 13 13 6928 1 . LYS 14 14 6928 1 . ARG 15 15 6928 1 . TRP 16 16 6928 1 . VAL 17 17 6928 1 . PHE 18 18 6928 1 . THR 19 19 6928 1 . LEU 20 20 6928 1 . ASN 21 21 6928 1 . ASN 22 22 6928 1 . PRO 23 23 6928 1 . SER 24 24 6928 1 . GLU 25 25 6928 1 . ASP 26 26 6928 1 . GLU 27 27 6928 1 . ARG 28 28 6928 1 . LYS 29 29 6928 1 . LYS 30 30 6928 1 . ILE 31 31 6928 1 . ARG 32 32 6928 1 . ASP 33 33 6928 1 . LEU 34 34 6928 1 . PRO 35 35 6928 1 . ILE 36 36 6928 1 . SER 37 37 6928 1 . LEU 38 38 6928 1 . PHE 39 39 6928 1 . ASP 40 40 6928 1 . TYR 41 41 6928 1 . PHE 42 42 6928 1 . ILE 43 43 6928 1 . VAL 44 44 6928 1 . GLY 45 45 6928 1 . GLU 46 46 6928 1 . GLU 47 47 6928 1 . GLY 48 48 6928 1 . ASN 49 49 6928 1 . GLU 50 50 6928 1 . GLU 51 51 6928 1 . GLY 52 52 6928 1 . ARG 53 53 6928 1 . THR 54 54 6928 1 . PRO 55 55 6928 1 . HIS 56 56 6928 1 . LEU 57 57 6928 1 . GLN 58 58 6928 1 . GLY 59 59 6928 1 . PHE 60 60 6928 1 . ALA 61 61 6928 1 . ASN 62 62 6928 1 . PHE 63 63 6928 1 . VAL 64 64 6928 1 . LYS 65 65 6928 1 . LYS 66 66 6928 1 . GLN 67 67 6928 1 . THR 68 68 6928 1 . PHE 69 69 6928 1 . ASN 70 70 6928 1 . LYS 71 71 6928 1 . VAL 72 72 6928 1 . LYS 73 73 6928 1 . TRP 74 74 6928 1 . TYR 75 75 6928 1 . LEU 76 76 6928 1 . GLY 77 77 6928 1 . ALA 78 78 6928 1 . ARG 79 79 6928 1 . CYS 80 80 6928 1 . HIS 81 81 6928 1 . ILE 82 82 6928 1 . GLU 83 83 6928 1 . LYS 84 84 6928 1 . ALA 85 85 6928 1 . LYS 86 86 6928 1 . GLY 87 87 6928 1 . THR 88 88 6928 1 . ASP 89 89 6928 1 . GLN 90 90 6928 1 . GLN 91 91 6928 1 . ASN 92 92 6928 1 . LYS 93 93 6928 1 . GLU 94 94 6928 1 . TYR 95 95 6928 1 . CYS 96 96 6928 1 . SER 97 97 6928 1 . LYS 98 98 6928 1 . GLU 99 99 6928 1 . GLY 100 100 6928 1 . ASN 101 101 6928 1 . LEU 102 102 6928 1 . LEU 103 103 6928 1 . MET 104 104 6928 1 . GLU 105 105 6928 1 . CYS 106 106 6928 1 . GLY 107 107 6928 1 . ALA 108 108 6928 1 . PRO 109 109 6928 1 . ARG 110 110 6928 1 . SER 111 111 6928 1 . GLN 112 112 6928 1 . GLY 113 113 6928 1 . GLN 114 114 6928 1 . ARG 115 115 6928 1 stop_ loop_ _Entity_citation.Citation_ID _Entity_citation.Citation_label _Entity_citation.Entry_ID _Entity_citation.Entity_ID 1 $citation_1 6928 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 6928 _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 $PCV2_Rep_(2-116) . 46221 virus . 'Porcine circovirus 2' 'Porcine circovirus 2' . . Viruses . Circovirus 'Porcine circovirus 2' . . . . . . . . . . . . . . . . . . . . . 6928 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 6928 _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 $PCV2_Rep_(2-116) . 'recombinant technology' . E.coli . . . . 'BL21 Rosetta (DE3) plysS' . . . . . . . . . . . . pET . . pET3a . . . . . . 6928 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6928 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Rep PCV2 2-116' '[U-10% 13C; U-15N]' . . 1 $PCV2_Rep_(2-116) . . 0.8 . . M . . . . 6928 1 2 'Sodium phosphate' . . . . . . . 20 . . mM . . . . 6928 1 3 NaCl . . . . . . . 100 . . mM . . . . 6928 1 4 DTT . . . . . . . 1 . . mM . . . . 6928 1 5 D2O . . . . . . . 8 . . % . . . . 6928 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6928 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Rep PCV2 2-116' '[U-10% 13C; U-15N]' . . 1 $PCV2_Rep_(2-116) . . 0.8 . . M . . . . 6928 2 2 'Sodium phosphate' . . . . . . . 20 . . mM . . . . 6928 2 3 NaCl . . . . . . . 100 . . mM . . . . 6928 2 4 DTT . . . . . . . 1 . . mM . . . . 6928 2 5 D2O . . . . . . . 100 . . % . . . . 6928 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6928 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Rep PCV2 2-116' '[U-13C; U-15N]' . . 1 $PCV2_Rep_(2-116) . . 0.8 . . M . . . . 6928 3 2 'Sodium phosphate' . . . . . . . 20 . . mM . . . . 6928 3 3 NaCl . . . . . . . 100 . . mM . . . . 6928 3 4 DTT . . . . . . . 1 . . mM . . . . 6928 3 5 D2O . . . . . . . 8 . . % . . . . 6928 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6928 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Rep PCV2 2-116' '[U-13C; U-15N]' . . 1 $PCV2_Rep_(2-116) . . 0.8 . . M . . . . 6928 4 2 'Sodium phosphate' . . . . . . . 20 . . mM . . . . 6928 4 3 NaCl . . . . . . . 100 . . mM . . . . 6928 4 4 DTT . . . . . . . 1 . . mM . . . . 6928 4 5 D2O . . . . . . . 100 . . % . . . . 6928 4 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 6928 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 20 mM Sodium phosphate 0.1 M NaCl 1 mM DTT ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.264 0.02 M 6928 1 pH 6.6 0.1 pH 6928 1 temperature 298 0.5 K 6928 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6928 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.20 _Software.Details . save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6928 _Software.ID 2 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details . 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 6928 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AMX Avance' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6928 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AMX Avance' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 6928 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 2D_1H15N_HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 2 2D_1H15N_HSQC_long_range no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 3 2D_1H13C_HSQC/HMQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 4 2D_HNCOCG_arom no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 5 2D_HNCO_arom no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 6 3D_HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 7 3D_HNCACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 8 3D_CBCA_(CO)_NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 9 3D_HNHA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 10 3D_HNHB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 11 3D_15N_edited_NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 12 4D_15N,_13C_NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 13 4D_13C,_13C_NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 14 3D_HCACO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 15 3D_CC_(CO)_NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 16 HCCH_TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 1 17 3D_15N_edited_TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6928 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 6928 _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 6928 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6928 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6928 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 6928 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 2D_1H15N_HSQC 1 $sample_1 isotropic 6928 1 2 2D_1H15N_HSQC_long_range 1 $sample_1 isotropic 6928 1 3 2D_1H13C_HSQC/HMQC 1 $sample_1 isotropic 6928 1 3 2D_1H13C_HSQC/HMQC 4 $sample_4 isotropic 6928 1 3 2D_1H13C_HSQC/HMQC 3 $sample_3 isotropic 6928 1 4 2D_HNCOCG_arom 3 $sample_3 isotropic 6928 1 5 2D_HNCO_arom 3 $sample_3 isotropic 6928 1 6 3D_HNCO 3 $sample_3 isotropic 6928 1 7 3D_HNCACB 3 $sample_3 isotropic 6928 1 8 3D_CBCA_(CO)_NH 3 $sample_3 isotropic 6928 1 9 3D_HNHA 1 $sample_1 isotropic 6928 1 10 3D_HNHB 1 $sample_1 isotropic 6928 1 11 3D_15N_edited_NOESY 1 $sample_1 isotropic 6928 1 12 4D_15N,_13C_NOESY 3 $sample_3 isotropic 6928 1 13 4D_13C,_13C_NOESY 4 $sample_4 isotropic 6928 1 14 3D_HCACO 4 $sample_4 isotropic 6928 1 15 3D_CC_(CO)_NH 3 $sample_3 isotropic 6928 1 16 HCCH_TOCSY 4 $sample_4 isotropic 6928 1 17 3D_15N_edited_TOCSY 1 $sample_1 isotropic 6928 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6928 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 3 3 LYS C C 13 176.289 0.1 . 1 . . . . 4 LYS C . 6928 1 2 . 1 1 3 3 LYS CA C 13 56.303 0.1 . 1 . . . . 4 LYS CA . 6928 1 3 . 1 1 3 3 LYS CB C 13 33.219 0.1 . 1 . . . . 4 LYS CB . 6928 1 4 . 1 1 3 3 LYS CG C 13 24.835 0.1 . 1 . . . . 4 LYS CG . 6928 1 5 . 1 1 3 3 LYS CD C 13 29.104 0.1 . 1 . . . . 4 LYS CD . 6928 1 6 . 1 1 4 4 LYS H H 1 8.433 0.05 . 1 . . . . 5 LYS HN . 6928 1 7 . 1 1 4 4 LYS HD2 H 1 29.047 0.05 . 1 . . . . 5 LYS QD . 6928 1 8 . 1 1 4 4 LYS HD3 H 1 29.047 0.05 . 1 . . . . 5 LYS QD . 6928 1 9 . 1 1 4 4 LYS C C 13 175.370 0.1 . 1 . . . . 5 LYS C . 6928 1 10 . 1 1 4 4 LYS CA C 13 56.310 0.1 . 1 . . . . 5 LYS CA . 6928 1 11 . 1 1 4 4 LYS CB C 13 33.172 0.1 . 1 . . . . 5 LYS CB . 6928 1 12 . 1 1 4 4 LYS CG C 13 24.766 0.1 . 1 . . . . 5 LYS CG . 6928 1 13 . 1 1 4 4 LYS CE C 13 42.226 0.1 . 1 . . . . 5 LYS CE . 6928 1 14 . 1 1 4 4 LYS N N 15 123.477 0.1 . 1 . . . . 5 LYS N . 6928 1 15 . 1 1 5 5 ASN H H 1 8.103 0.05 . 1 . . . . 6 ASN HN . 6928 1 16 . 1 1 5 5 ASN HA H 1 4.463 0.05 . 1 . . . . 6 ASN HA . 6928 1 17 . 1 1 5 5 ASN HB2 H 1 2.730 0.05 . 1 . . . . 6 ASN QB . 6928 1 18 . 1 1 5 5 ASN HB3 H 1 2.730 0.05 . 1 . . . . 6 ASN QB . 6928 1 19 . 1 1 5 5 ASN C C 13 178.695 0.1 . 1 . . . . 6 ASN C . 6928 1 20 . 1 1 5 5 ASN CA C 13 54.909 0.1 . 1 . . . . 6 ASN CA . 6928 1 21 . 1 1 5 5 ASN CB C 13 41.044 0.1 . 1 . . . . 6 ASN CB . 6928 1 22 . 1 1 5 5 ASN N N 15 125.716 0.1 . 1 . . . . 6 ASN N . 6928 1 23 . 1 1 6 6 GLY H H 1 8.398 0.05 . 1 . . . . 7 GLY HN . 6928 1 24 . 1 1 6 6 GLY HA2 H 1 3.964 0.05 . 2 . . . . 7 GLY HA1 . 6928 1 25 . 1 1 6 6 GLY HA3 H 1 3.893 0.05 . 2 . . . . 7 GLY HA2 . 6928 1 26 . 1 1 6 6 GLY C C 13 174.726 0.1 . 1 . . . . 7 GLY C . 6928 1 27 . 1 1 6 6 GLY CA C 13 45.638 0.1 . 1 . . . . 7 GLY CA . 6928 1 28 . 1 1 6 6 GLY N N 15 114.061 0.1 . 1 . . . . 7 GLY N . 6928 1 29 . 1 1 8 8 SER HA H 1 4.491 0.05 . 1 . . . . 9 SER HA . 6928 1 30 . 1 1 8 8 SER HB2 H 1 3.856 0.05 . 1 . . . . 9 SER QB . 6928 1 31 . 1 1 8 8 SER HB3 H 1 3.856 0.05 . 1 . . . . 9 SER QB . 6928 1 32 . 1 1 8 8 SER C C 13 174.516 0.1 . 1 . . . . 9 SER C . 6928 1 33 . 1 1 8 8 SER CA C 13 58.375 0.1 . 1 . . . . 9 SER CA . 6928 1 34 . 1 1 8 8 SER CB C 13 63.961 0.1 . 1 . . . . 9 SER CB . 6928 1 35 . 1 1 9 9 GLY H H 1 8.269 0.05 . 1 . . . . 10 GLY HN . 6928 1 36 . 1 1 9 9 GLY HA2 H 1 4.121 0.05 . 1 . . . . 10 GLY QA . 6928 1 37 . 1 1 9 9 GLY HA3 H 1 4.121 0.05 . 1 . . . . 10 GLY QA . 6928 1 38 . 1 1 9 9 GLY C C 13 171.884 0.1 . 1 . . . . 10 GLY C . 6928 1 39 . 1 1 9 9 GLY CA C 13 44.792 0.1 . 1 . . . . 10 GLY CA . 6928 1 40 . 1 1 9 9 GLY N N 15 110.680 0.1 . 1 . . . . 10 GLY N . 6928 1 41 . 1 1 10 10 PRO HA H 1 4.552 0.05 . 1 . . . . 11 PRO HA . 6928 1 42 . 1 1 10 10 PRO HB2 H 1 2.451 0.05 . 2 . . . . 11 PRO HB2 . 6928 1 43 . 1 1 10 10 PRO HB3 H 1 2.043 0.05 . 2 . . . . 11 PRO HB3 . 6928 1 44 . 1 1 10 10 PRO HG2 H 1 2.067 0.05 . 2 . . . . 11 PRO QG . 6928 1 45 . 1 1 10 10 PRO HG3 H 1 2.067 0.05 . 2 . . . . 11 PRO QG . 6928 1 46 . 1 1 10 10 PRO HD2 H 1 3.612 0.05 . 2 . . . . 11 PRO QD . 6928 1 47 . 1 1 10 10 PRO HD3 H 1 3.612 0.05 . 2 . . . . 11 PRO QD . 6928 1 48 . 1 1 10 10 PRO C C 13 177.030 0.1 . 1 . . . . 11 PRO C . 6928 1 49 . 1 1 10 10 PRO CA C 13 63.358 0.1 . 1 . . . . 11 PRO CA . 6928 1 50 . 1 1 10 10 PRO CB C 13 32.644 0.1 . 1 . . . . 11 PRO CB . 6928 1 51 . 1 1 10 10 PRO CG C 13 27.429 0.1 . 1 . . . . 11 PRO CG . 6928 1 52 . 1 1 10 10 PRO CD C 13 49.982 0.1 . 1 . . . . 11 PRO CD . 6928 1 53 . 1 1 11 11 GLN H H 1 8.723 0.05 . 1 . . . . 12 GLN HN . 6928 1 54 . 1 1 11 11 GLN HA H 1 4.587 0.05 . 1 . . . . 12 GLN HA . 6928 1 55 . 1 1 11 11 GLN HB2 H 1 2.109 0.05 . 2 . . . . 12 GLN HB2 . 6928 1 56 . 1 1 11 11 GLN HB3 H 1 1.953 0.05 . 2 . . . . 12 GLN HB3 . 6928 1 57 . 1 1 11 11 GLN HG2 H 1 2.427 0.05 . 2 . . . . 12 GLN QG . 6928 1 58 . 1 1 11 11 GLN HG3 H 1 2.427 0.05 . 2 . . . . 12 GLN QG . 6928 1 59 . 1 1 11 11 GLN HE21 H 1 7.514 0.05 . 2 . . . . 12 GLN HE21 . 6928 1 60 . 1 1 11 11 GLN HE22 H 1 6.937 0.05 . 2 . . . . 12 GLN HE22 . 6928 1 61 . 1 1 11 11 GLN C C 13 173.643 0.1 . 1 . . . . 12 GLN C . 6928 1 62 . 1 1 11 11 GLN CA C 13 53.766 0.1 . 1 . . . . 12 GLN CA . 6928 1 63 . 1 1 11 11 GLN CB C 13 29.265 0.1 . 1 . . . . 12 GLN CB . 6928 1 64 . 1 1 11 11 GLN CG C 13 33.608 0.1 . 1 . . . . 12 GLN CG . 6928 1 65 . 1 1 11 11 GLN CD C 13 180.598 0.1 . 1 . . . . 12 GLN CD . 6928 1 66 . 1 1 11 11 GLN N N 15 122.700 0.1 . 1 . . . . 12 GLN N . 6928 1 67 . 1 1 11 11 GLN NE2 N 15 113.671 0.1 . 1 . . . . 12 GLN NE2 . 6928 1 68 . 1 1 12 12 PRO HA H 1 4.651 0.05 . 1 . . . . 13 PRO HA . 6928 1 69 . 1 1 12 12 PRO HB2 H 1 1.894 0.05 . 2 . . . . 13 PRO HB2 . 6928 1 70 . 1 1 12 12 PRO HB3 H 1 1.636 0.05 . 2 . . . . 13 PRO HB3 . 6928 1 71 . 1 1 12 12 PRO HG2 H 1 1.959 0.05 . 2 . . . . 13 PRO HG2 . 6928 1 72 . 1 1 12 12 PRO HG3 H 1 1.884 0.05 . 2 . . . . 13 PRO HG3 . 6928 1 73 . 1 1 12 12 PRO HD2 H 1 3.761 0.05 . 2 . . . . 13 PRO HD2 . 6928 1 74 . 1 1 12 12 PRO HD3 H 1 3.643 0.05 . 2 . . . . 13 PRO HD3 . 6928 1 75 . 1 1 12 12 PRO C C 13 175.003 0.1 . 1 . . . . 13 PRO C . 6928 1 76 . 1 1 12 12 PRO CA C 13 62.596 0.1 . 1 . . . . 13 PRO CA . 6928 1 77 . 1 1 12 12 PRO CB C 13 32.224 0.1 . 1 . . . . 13 PRO CB . 6928 1 78 . 1 1 12 12 PRO CG C 13 27.261 0.1 . 1 . . . . 13 PRO CG . 6928 1 79 . 1 1 12 12 PRO CD C 13 50.408 0.1 . 1 . . . . 13 PRO CD . 6928 1 80 . 1 1 13 13 HIS H H 1 9.120 0.05 . 1 . . . . 14 HIS HN . 6928 1 81 . 1 1 13 13 HIS HA H 1 5.031 0.05 . 1 . . . . 14 HIS HA . 6928 1 82 . 1 1 13 13 HIS HB2 H 1 2.986 0.05 . 2 . . . . 14 HIS HB2 . 6928 1 83 . 1 1 13 13 HIS HB3 H 1 2.546 0.05 . 2 . . . . 14 HIS HB3 . 6928 1 84 . 1 1 13 13 HIS HD2 H 1 6.699 0.05 . 1 . . . . 14 HIS HD2 . 6928 1 85 . 1 1 13 13 HIS HE1 H 1 7.910 0.05 . 1 . . . . 14 HIS HE1 . 6928 1 86 . 1 1 13 13 HIS C C 13 176.262 0.1 . 1 . . . . 14 HIS C . 6928 1 87 . 1 1 13 13 HIS CA C 13 56.284 0.1 . 1 . . . . 14 HIS CA . 6928 1 88 . 1 1 13 13 HIS CB C 13 34.528 0.1 . 1 . . . . 14 HIS CB . 6928 1 89 . 1 1 13 13 HIS CD2 C 13 120.894 0.1 . 1 . . . . 14 HIS CD2 . 6928 1 90 . 1 1 13 13 HIS CE1 C 13 138.583 0.1 . 1 . . . . 14 HIS CE1 . 6928 1 91 . 1 1 13 13 HIS N N 15 116.892 0.1 . 1 . . . . 14 HIS N . 6928 1 92 . 1 1 13 13 HIS ND1 N 15 218.835 0.1 . 1 . . . . 14 HIS ND1 . 6928 1 93 . 1 1 13 13 HIS NE2 N 15 179.988 0.1 . 1 . . . . 14 HIS NE2 . 6928 1 94 . 1 1 14 14 LYS HA H 1 4.563 0.05 . 1 . . . . 15 LYS HA . 6928 1 95 . 1 1 14 14 LYS HB2 H 1 2.294 0.05 . 2 . . . . 15 LYS HB2 . 6928 1 96 . 1 1 14 14 LYS HB3 H 1 1.774 0.05 . 2 . . . . 15 LYS HB3 . 6928 1 97 . 1 1 14 14 LYS HG2 H 1 1.966 0.05 . 2 . . . . 15 LYS HG2 . 6928 1 98 . 1 1 14 14 LYS HG3 H 1 1.379 0.05 . 2 . . . . 15 LYS HG3 . 6928 1 99 . 1 1 14 14 LYS HD2 H 1 1.763 0.05 . 2 . . . . 15 LYS QD . 6928 1 100 . 1 1 14 14 LYS HD3 H 1 1.763 0.05 . 2 . . . . 15 LYS QD . 6928 1 101 . 1 1 14 14 LYS HE2 H 1 3.204 0.05 . 2 . . . . 15 LYS HE2 . 6928 1 102 . 1 1 14 14 LYS HE3 H 1 3.152 0.05 . 2 . . . . 15 LYS HE3 . 6928 1 103 . 1 1 14 14 LYS C C 13 175.841 0.1 . 1 . . . . 15 LYS C . 6928 1 104 . 1 1 14 14 LYS CA C 13 60.411 0.1 . 1 . . . . 15 LYS CA . 6928 1 105 . 1 1 14 14 LYS CB C 13 36.208 0.1 . 1 . . . . 15 LYS CB . 6928 1 106 . 1 1 14 14 LYS CG C 13 26.475 0.1 . 1 . . . . 15 LYS CG . 6928 1 107 . 1 1 14 14 LYS CD C 13 30.130 0.1 . 1 . . . . 15 LYS CD . 6928 1 108 . 1 1 14 14 LYS CE C 13 41.799 0.1 . 1 . . . . 15 LYS CE . 6928 1 109 . 1 1 15 15 ARG H H 1 7.584 0.05 . 1 . . . . 16 ARG HN . 6928 1 110 . 1 1 15 15 ARG HA H 1 5.828 0.05 . 1 . . . . 16 ARG HA . 6928 1 111 . 1 1 15 15 ARG HB2 H 1 1.999 0.05 . 2 . . . . 16 ARG HB2 . 6928 1 112 . 1 1 15 15 ARG HB3 H 1 1.714 0.05 . 2 . . . . 16 ARG HB3 . 6928 1 113 . 1 1 15 15 ARG HG2 H 1 1.613 0.05 . 1 . . . . 16 ARG QG . 6928 1 114 . 1 1 15 15 ARG HG3 H 1 1.613 0.05 . 1 . . . . 16 ARG QG . 6928 1 115 . 1 1 15 15 ARG HD2 H 1 3.560 0.05 . 2 . . . . 16 ARG HD2 . 6928 1 116 . 1 1 15 15 ARG HD3 H 1 3.470 0.05 . 2 . . . . 16 ARG HD3 . 6928 1 117 . 1 1 15 15 ARG C C 13 175.465 0.1 . 1 . . . . 16 ARG C . 6928 1 118 . 1 1 15 15 ARG CA C 13 55.597 0.1 . 1 . . . . 16 ARG CA . 6928 1 119 . 1 1 15 15 ARG CB C 13 33.241 0.1 . 1 . . . . 16 ARG CB . 6928 1 120 . 1 1 15 15 ARG CG C 13 29.061 0.1 . 1 . . . . 16 ARG CG . 6928 1 121 . 1 1 15 15 ARG CD C 13 44.096 0.1 . 1 . . . . 16 ARG CD . 6928 1 122 . 1 1 15 15 ARG N N 15 115.927 0.1 . 1 . . . . 16 ARG N . 6928 1 123 . 1 1 16 16 TRP H H 1 9.462 0.05 . 1 . . . . 17 TRP HN . 6928 1 124 . 1 1 16 16 TRP HA H 1 5.302 0.05 . 1 . . . . 17 TRP HA . 6928 1 125 . 1 1 16 16 TRP HB2 H 1 3.496 0.05 . 2 . . . . 17 TRP HB2 . 6928 1 126 . 1 1 16 16 TRP HB3 H 1 2.902 0.05 . 2 . . . . 17 TRP HB3 . 6928 1 127 . 1 1 16 16 TRP HD1 H 1 7.261 0.05 . 1 . . . . 17 TRP HD1 . 6928 1 128 . 1 1 16 16 TRP HE1 H 1 9.497 0.05 . 1 . . . . 17 TRP HE1 . 6928 1 129 . 1 1 16 16 TRP HE3 H 1 7.458 0.05 . 1 . . . . 17 TRP HE3 . 6928 1 130 . 1 1 16 16 TRP HZ2 H 1 7.852 0.05 . 3 . . . . 17 TRP HZ2 . 6928 1 131 . 1 1 16 16 TRP HZ3 H 1 7.154 0.05 . 3 . . . . 17 TRP HZ3 . 6928 1 132 . 1 1 16 16 TRP HH2 H 1 7.502 0.05 . 1 . . . . 17 TRP HH2 . 6928 1 133 . 1 1 16 16 TRP C C 13 174.808 0.1 . 1 . . . . 17 TRP C . 6928 1 134 . 1 1 16 16 TRP CA C 13 56.534 0.1 . 1 . . . . 17 TRP CA . 6928 1 135 . 1 1 16 16 TRP CB C 13 33.743 0.1 . 1 . . . . 17 TRP CB . 6928 1 136 . 1 1 16 16 TRP CD1 C 13 126.033 0.1 . 1 . . . . 17 TRP CD1 . 6928 1 137 . 1 1 16 16 TRP CE2 C 13 138.662 0.1 . 1 . . . . 17 TRP CE2 . 6928 1 138 . 1 1 16 16 TRP CE3 C 13 120.522 0.1 . 1 . . . . 17 TRP CE3 . 6928 1 139 . 1 1 16 16 TRP CZ2 C 13 115.132 0.1 . 3 . . . . 17 TRP CZ2 . 6928 1 140 . 1 1 16 16 TRP CZ3 C 13 121.596 0.1 . 3 . . . . 17 TRP CZ3 . 6928 1 141 . 1 1 16 16 TRP CH2 C 13 124.152 0.1 . 1 . . . . 17 TRP CH2 . 6928 1 142 . 1 1 16 16 TRP N N 15 124.601 0.1 . 1 . . . . 17 TRP N . 6928 1 143 . 1 1 16 16 TRP NE1 N 15 129.111 0.1 . 1 . . . . 17 TRP NE1 . 6928 1 144 . 1 1 17 17 VAL H H 1 9.645 0.05 . 1 . . . . 18 VAL HN . 6928 1 145 . 1 1 17 17 VAL HA H 1 5.399 0.05 . 1 . . . . 18 VAL HA . 6928 1 146 . 1 1 17 17 VAL HB H 1 2.448 0.05 . 1 . . . . 18 VAL HB . 6928 1 147 . 1 1 17 17 VAL HG11 H 1 1.284 0.05 . 2 . . . . 18 VAL QG1 . 6928 1 148 . 1 1 17 17 VAL HG12 H 1 1.284 0.05 . 2 . . . . 18 VAL QG1 . 6928 1 149 . 1 1 17 17 VAL HG13 H 1 1.284 0.05 . 2 . . . . 18 VAL QG1 . 6928 1 150 . 1 1 17 17 VAL HG21 H 1 1.056 0.05 . 2 . . . . 18 VAL QG2 . 6928 1 151 . 1 1 17 17 VAL HG22 H 1 1.056 0.05 . 2 . . . . 18 VAL QG2 . 6928 1 152 . 1 1 17 17 VAL HG23 H 1 1.056 0.05 . 2 . . . . 18 VAL QG2 . 6928 1 153 . 1 1 17 17 VAL C C 13 174.974 0.1 . 1 . . . . 18 VAL C . 6928 1 154 . 1 1 17 17 VAL CA C 13 59.999 0.1 . 1 . . . . 18 VAL CA . 6928 1 155 . 1 1 17 17 VAL CB C 13 35.291 0.1 . 1 . . . . 18 VAL CB . 6928 1 156 . 1 1 17 17 VAL CG1 C 13 23.909 0.1 . 2 . . . . 18 VAL CG1 . 6928 1 157 . 1 1 17 17 VAL CG2 C 13 20.198 0.1 . 2 . . . . 18 VAL CG2 . 6928 1 158 . 1 1 17 17 VAL N N 15 116.062 0.1 . 1 . . . . 18 VAL N . 6928 1 159 . 1 1 18 18 PHE H H 1 8.300 0.05 . 1 . . . . 19 PHE HN . 6928 1 160 . 1 1 18 18 PHE HA H 1 6.222 0.05 . 1 . . . . 19 PHE HA . 6928 1 161 . 1 1 18 18 PHE HB2 H 1 2.980 0.05 . 2 . . . . 19 PHE HB2 . 6928 1 162 . 1 1 18 18 PHE HB3 H 1 2.783 0.05 . 2 . . . . 19 PHE HB3 . 6928 1 163 . 1 1 18 18 PHE HD1 H 1 6.757 0.05 . 3 . . . . 19 PHE HD1 . 6928 1 164 . 1 1 18 18 PHE HE1 H 1 6.906 0.05 . 3 . . . . 19 PHE HE1 . 6928 1 165 . 1 1 18 18 PHE HZ H 1 6.963 0.05 . 1 . . . . 19 PHE HZ . 6928 1 166 . 1 1 18 18 PHE C C 13 172.832 0.1 . 1 . . . . 19 PHE C . 6928 1 167 . 1 1 18 18 PHE CA C 13 55.519 0.1 . 1 . . . . 19 PHE CA . 6928 1 168 . 1 1 18 18 PHE CB C 13 44.269 0.1 . 1 . . . . 19 PHE CB . 6928 1 169 . 1 1 18 18 PHE CD1 C 13 132.745 0.1 . 3 . . . . 19 PHE CD1 . 6928 1 170 . 1 1 18 18 PHE CE1 C 13 130.194 0.1 . 3 . . . . 19 PHE CE1 . 6928 1 171 . 1 1 18 18 PHE CZ C 13 129.273 0.1 . 1 . . . . 19 PHE CZ . 6928 1 172 . 1 1 18 18 PHE N N 15 115.878 0.1 . 1 . . . . 19 PHE N . 6928 1 173 . 1 1 19 19 THR H H 1 8.856 0.05 . 1 . . . . 20 THR HN . 6928 1 174 . 1 1 19 19 THR HA H 1 5.199 0.05 . 1 . . . . 20 THR HA . 6928 1 175 . 1 1 19 19 THR HB H 1 4.164 0.05 . 1 . . . . 20 THR HB . 6928 1 176 . 1 1 19 19 THR HG21 H 1 1.321 0.05 . 1 . . . . 20 THR QG2 . 6928 1 177 . 1 1 19 19 THR HG22 H 1 1.321 0.05 . 1 . . . . 20 THR QG2 . 6928 1 178 . 1 1 19 19 THR HG23 H 1 1.321 0.05 . 1 . . . . 20 THR QG2 . 6928 1 179 . 1 1 19 19 THR C C 13 173.804 0.1 . 1 . . . . 20 THR C . 6928 1 180 . 1 1 19 19 THR CA C 13 59.604 0.1 . 1 . . . . 20 THR CA . 6928 1 181 . 1 1 19 19 THR CB C 13 73.100 0.1 . 1 . . . . 20 THR CB . 6928 1 182 . 1 1 19 19 THR CG2 C 13 22.362 0.1 . 1 . . . . 20 THR CG2 . 6928 1 183 . 1 1 19 19 THR N N 15 111.037 0.1 . 1 . . . . 20 THR N . 6928 1 184 . 1 1 20 20 LEU H H 1 8.129 0.05 . 1 . . . . 21 LEU HN . 6928 1 185 . 1 1 20 20 LEU HA H 1 4.849 0.05 . 1 . . . . 21 LEU HA . 6928 1 186 . 1 1 20 20 LEU HB2 H 1 1.790 0.05 . 2 . . . . 21 LEU HB2 . 6928 1 187 . 1 1 20 20 LEU HB3 H 1 1.644 0.05 . 2 . . . . 21 LEU HB3 . 6928 1 188 . 1 1 20 20 LEU HG H 1 1.157 0.05 . 1 . . . . 21 LEU HG . 6928 1 189 . 1 1 20 20 LEU HD11 H 1 0.887 0.05 . 2 . . . . 21 LEU QD1 . 6928 1 190 . 1 1 20 20 LEU HD12 H 1 0.887 0.05 . 2 . . . . 21 LEU QD1 . 6928 1 191 . 1 1 20 20 LEU HD13 H 1 0.887 0.05 . 2 . . . . 21 LEU QD1 . 6928 1 192 . 1 1 20 20 LEU HD21 H 1 0.848 0.05 . 2 . . . . 21 LEU QD2 . 6928 1 193 . 1 1 20 20 LEU HD22 H 1 0.848 0.05 . 2 . . . . 21 LEU QD2 . 6928 1 194 . 1 1 20 20 LEU HD23 H 1 0.848 0.05 . 2 . . . . 21 LEU QD2 . 6928 1 195 . 1 1 20 20 LEU C C 13 175.013 0.1 . 1 . . . . 21 LEU C . 6928 1 196 . 1 1 20 20 LEU CA C 13 54.225 0.1 . 1 . . . . 21 LEU CA . 6928 1 197 . 1 1 20 20 LEU CB C 13 44.982 0.1 . 1 . . . . 21 LEU CB . 6928 1 198 . 1 1 20 20 LEU CG C 13 28.375 0.1 . 1 . . . . 21 LEU CG . 6928 1 199 . 1 1 20 20 LEU CD1 C 13 23.126 0.1 . 2 . . . . 21 LEU CD1 . 6928 1 200 . 1 1 20 20 LEU CD2 C 13 25.945 0.1 . 2 . . . . 21 LEU CD2 . 6928 1 201 . 1 1 20 20 LEU N N 15 122.793 0.1 . 1 . . . . 21 LEU N . 6928 1 202 . 1 1 21 21 ASN H H 1 9.024 0.05 . 1 . . . . 22 ASN HN . 6928 1 203 . 1 1 21 21 ASN HA H 1 4.828 0.05 . 1 . . . . 22 ASN HA . 6928 1 204 . 1 1 21 21 ASN HB2 H 1 2.775 0.05 . 2 . . . . 22 ASN HB2 . 6928 1 205 . 1 1 21 21 ASN HB3 H 1 2.731 0.05 . 2 . . . . 22 ASN HB3 . 6928 1 206 . 1 1 21 21 ASN HD21 H 1 7.708 0.05 . 2 . . . . 22 ASN HD21 . 6928 1 207 . 1 1 21 21 ASN HD22 H 1 6.882 0.05 . 2 . . . . 22 ASN HD22 . 6928 1 208 . 1 1 21 21 ASN C C 13 174.505 0.1 . 1 . . . . 22 ASN C . 6928 1 209 . 1 1 21 21 ASN CA C 13 53.701 0.1 . 1 . . . . 22 ASN CA . 6928 1 210 . 1 1 21 21 ASN CB C 13 39.638 0.1 . 1 . . . . 22 ASN CB . 6928 1 211 . 1 1 21 21 ASN CG C 13 175.563 0.1 . 1 . . . . 22 ASN CG . 6928 1 212 . 1 1 21 21 ASN N N 15 128.051 0.1 . 1 . . . . 22 ASN N . 6928 1 213 . 1 1 21 21 ASN ND2 N 15 112.332 0.1 . 1 . . . . 22 ASN ND2 . 6928 1 214 . 1 1 22 22 ASN H H 1 9.327 0.05 . 1 . . . . 23 ASN HN . 6928 1 215 . 1 1 22 22 ASN HA H 1 4.397 0.05 . 1 . . . . 23 ASN HA . 6928 1 216 . 1 1 22 22 ASN HB2 H 1 3.164 0.05 . 2 . . . . 23 ASN HB2 . 6928 1 217 . 1 1 22 22 ASN HB3 H 1 2.532 0.05 . 2 . . . . 23 ASN HB3 . 6928 1 218 . 1 1 22 22 ASN HD21 H 1 7.711 0.05 . 2 . . . . 23 ASN HD21 . 6928 1 219 . 1 1 22 22 ASN HD22 H 1 6.907 0.05 . 2 . . . . 23 ASN HD22 . 6928 1 220 . 1 1 22 22 ASN CA C 13 53.787 0.1 . 1 . . . . 23 ASN CA . 6928 1 221 . 1 1 22 22 ASN CB C 13 37.664 0.1 . 1 . . . . 23 ASN CB . 6928 1 222 . 1 1 22 22 ASN CG C 13 177.991 0.1 . 1 . . . . 23 ASN CG . 6928 1 223 . 1 1 22 22 ASN N N 15 118.975 0.1 . 1 . . . . 23 ASN N . 6928 1 224 . 1 1 22 22 ASN ND2 N 15 112.057 0.1 . 1 . . . . 23 ASN ND2 . 6928 1 225 . 1 1 23 23 PRO HA H 1 4.320 0.05 . 1 . . . . 24 PRO HA . 6928 1 226 . 1 1 23 23 PRO HB2 H 1 1.836 0.05 . 2 . . . . 24 PRO HB2 . 6928 1 227 . 1 1 23 23 PRO HB3 H 1 1.736 0.05 . 2 . . . . 24 PRO HB3 . 6928 1 228 . 1 1 23 23 PRO HG2 H 1 1.630 0.05 . 1 . . . . 24 PRO QG . 6928 1 229 . 1 1 23 23 PRO HG3 H 1 1.630 0.05 . 1 . . . . 24 PRO QG . 6928 1 230 . 1 1 23 23 PRO HD2 H 1 3.554 0.05 . 1 . . . . 24 PRO QD . 6928 1 231 . 1 1 23 23 PRO HD3 H 1 3.554 0.05 . 1 . . . . 24 PRO QD . 6928 1 232 . 1 1 23 23 PRO C C 13 177.129 0.1 . 1 . . . . 24 PRO C . 6928 1 233 . 1 1 23 23 PRO CA C 13 62.058 0.1 . 1 . . . . 24 PRO CA . 6928 1 234 . 1 1 23 23 PRO CB C 13 32.076 0.1 . 1 . . . . 24 PRO CB . 6928 1 235 . 1 1 23 23 PRO CD C 13 50.509 0.1 . 1 . . . . 24 PRO CD . 6928 1 236 . 1 1 24 24 SER H H 1 9.702 0.05 . 1 . . . . 25 SER HN . 6928 1 237 . 1 1 24 24 SER HA H 1 4.673 0.05 . 1 . . . . 25 SER HA . 6928 1 238 . 1 1 24 24 SER HB2 H 1 4.404 0.05 . 2 . . . . 25 SER HB2 . 6928 1 239 . 1 1 24 24 SER HB3 H 1 4.010 0.05 . 2 . . . . 25 SER HB3 . 6928 1 240 . 1 1 24 24 SER C C 13 175.778 0.1 . 1 . . . . 25 SER C . 6928 1 241 . 1 1 24 24 SER CA C 13 56.270 0.1 . 1 . . . . 25 SER CA . 6928 1 242 . 1 1 24 24 SER CB C 13 65.854 0.1 . 1 . . . . 25 SER CB . 6928 1 243 . 1 1 24 24 SER N N 15 120.102 0.1 . 1 . . . . 25 SER N . 6928 1 244 . 1 1 25 25 GLU H H 1 9.108 0.05 . 1 . . . . 26 GLU HN . 6928 1 245 . 1 1 25 25 GLU HA H 1 4.120 0.05 . 1 . . . . 26 GLU HA . 6928 1 246 . 1 1 25 25 GLU HB2 H 1 2.035 0.05 . 1 . . . . 26 GLU QB . 6928 1 247 . 1 1 25 25 GLU HB3 H 1 2.035 0.05 . 1 . . . . 26 GLU QB . 6928 1 248 . 1 1 25 25 GLU HG2 H 1 2.330 0.05 . 1 . . . . 26 GLU QG . 6928 1 249 . 1 1 25 25 GLU HG3 H 1 2.330 0.05 . 1 . . . . 26 GLU QG . 6928 1 250 . 1 1 25 25 GLU C C 13 179.211 0.1 . 1 . . . . 26 GLU C . 6928 1 251 . 1 1 25 25 GLU CA C 13 59.792 0.1 . 1 . . . . 26 GLU CA . 6928 1 252 . 1 1 25 25 GLU CB C 13 28.909 0.1 . 1 . . . . 26 GLU CB . 6928 1 253 . 1 1 25 25 GLU CG C 13 35.865 0.1 . 1 . . . . 26 GLU CG . 6928 1 254 . 1 1 25 25 GLU N N 15 121.443 0.1 . 1 . . . . 26 GLU N . 6928 1 255 . 1 1 26 26 ASP H H 1 8.395 0.05 . 1 . . . . 27 ASP HN . 6928 1 256 . 1 1 26 26 ASP HA H 1 4.357 0.05 . 1 . . . . 27 ASP HA . 6928 1 257 . 1 1 26 26 ASP HB2 H 1 2.547 0.05 . 2 . . . . 27 ASP HB2 . 6928 1 258 . 1 1 26 26 ASP HB3 H 1 2.498 0.05 . 2 . . . . 27 ASP HB3 . 6928 1 259 . 1 1 26 26 ASP C C 13 179.081 0.1 . 1 . . . . 27 ASP C . 6928 1 260 . 1 1 26 26 ASP CA C 13 57.425 0.1 . 1 . . . . 27 ASP CA . 6928 1 261 . 1 1 26 26 ASP CB C 13 40.589 0.1 . 1 . . . . 27 ASP CB . 6928 1 262 . 1 1 26 26 ASP N N 15 118.512 0.1 . 1 . . . . 27 ASP N . 6928 1 263 . 1 1 27 27 GLU H H 1 7.802 0.05 . 1 . . . . 28 GLU HN . 6928 1 264 . 1 1 27 27 GLU HA H 1 3.798 0.05 . 1 . . . . 28 GLU HA . 6928 1 265 . 1 1 27 27 GLU HB2 H 1 2.340 0.05 . 2 . . . . 28 GLU HB2 . 6928 1 266 . 1 1 27 27 GLU HB3 H 1 1.817 0.05 . 2 . . . . 28 GLU HB3 . 6928 1 267 . 1 1 27 27 GLU HG2 H 1 2.364 0.05 . 1 . . . . 28 GLU QG . 6928 1 268 . 1 1 27 27 GLU HG3 H 1 2.364 0.05 . 1 . . . . 28 GLU QG . 6928 1 269 . 1 1 27 27 GLU C C 13 179.630 0.1 . 1 . . . . 28 GLU C . 6928 1 270 . 1 1 27 27 GLU CA C 13 59.116 0.1 . 1 . . . . 28 GLU CA . 6928 1 271 . 1 1 27 27 GLU CB C 13 29.645 0.1 . 1 . . . . 28 GLU CB . 6928 1 272 . 1 1 27 27 GLU CG C 13 37.649 0.1 . 1 . . . . 28 GLU CG . 6928 1 273 . 1 1 27 27 GLU N N 15 121.298 0.1 . 1 . . . . 28 GLU N . 6928 1 274 . 1 1 28 28 ARG H H 1 8.048 0.05 . 1 . . . . 29 ARG HN . 6928 1 275 . 1 1 28 28 ARG HA H 1 3.701 0.05 . 1 . . . . 29 ARG HA . 6928 1 276 . 1 1 28 28 ARG HB2 H 1 1.802 0.05 . 1 . . . . 29 ARG QB . 6928 1 277 . 1 1 28 28 ARG HB3 H 1 1.802 0.05 . 1 . . . . 29 ARG QB . 6928 1 278 . 1 1 28 28 ARG HG2 H 1 0.836 0.05 . 1 . . . . 29 ARG QG . 6928 1 279 . 1 1 28 28 ARG HG3 H 1 0.836 0.05 . 1 . . . . 29 ARG QG . 6928 1 280 . 1 1 28 28 ARG HD2 H 1 3.121 0.05 . 1 . . . . 29 ARG QD . 6928 1 281 . 1 1 28 28 ARG HD3 H 1 3.121 0.05 . 1 . . . . 29 ARG QD . 6928 1 282 . 1 1 28 28 ARG HE H 1 8.674 0.05 . 1 . . . . 29 ARG HE . 6928 1 283 . 1 1 28 28 ARG C C 13 177.714 0.1 . 1 . . . . 29 ARG C . 6928 1 284 . 1 1 28 28 ARG CA C 13 60.330 0.1 . 1 . . . . 29 ARG CA . 6928 1 285 . 1 1 28 28 ARG CB C 13 30.895 0.1 . 1 . . . . 29 ARG CB . 6928 1 286 . 1 1 28 28 ARG CG C 13 26.053 0.1 . 1 . . . . 29 ARG CG . 6928 1 287 . 1 1 28 28 ARG CD C 13 43.136 0.1 . 1 . . . . 29 ARG CD . 6928 1 288 . 1 1 28 28 ARG CZ C 13 160.326 0.1 . 1 . . . . 29 ARG CZ . 6928 1 289 . 1 1 28 28 ARG N N 15 117.818 0.1 . 1 . . . . 29 ARG N . 6928 1 290 . 1 1 28 28 ARG NE N 15 85.560 0.1 . 1 . . . . 29 ARG NE . 6928 1 291 . 1 1 29 29 LYS H H 1 8.139 0.05 . 1 . . . . 30 LYS HN . 6928 1 292 . 1 1 29 29 LYS HA H 1 3.731 0.05 . 1 . . . . 30 LYS HA . 6928 1 293 . 1 1 29 29 LYS HB2 H 1 1.842 0.05 . 2 . . . . 30 LYS HB2 . 6928 1 294 . 1 1 29 29 LYS HB3 H 1 1.743 0.05 . 2 . . . . 30 LYS HB3 . 6928 1 295 . 1 1 29 29 LYS HG2 H 1 1.394 0.05 . 1 . . . . 30 LYS QG . 6928 1 296 . 1 1 29 29 LYS HG3 H 1 1.394 0.05 . 1 . . . . 30 LYS QG . 6928 1 297 . 1 1 29 29 LYS HD2 H 1 1.659 0.05 . 1 . . . . 30 LYS QD . 6928 1 298 . 1 1 29 29 LYS HD3 H 1 1.659 0.05 . 1 . . . . 30 LYS QD . 6928 1 299 . 1 1 29 29 LYS HE2 H 1 2.954 0.05 . 1 . . . . 30 LYS QE . 6928 1 300 . 1 1 29 29 LYS HE3 H 1 2.954 0.05 . 1 . . . . 30 LYS QE . 6928 1 301 . 1 1 29 29 LYS C C 13 176.785 0.1 . 1 . . . . 30 LYS C . 6928 1 302 . 1 1 29 29 LYS CA C 13 59.679 0.1 . 1 . . . . 30 LYS CA . 6928 1 303 . 1 1 29 29 LYS CB C 13 32.518 0.1 . 1 . . . . 30 LYS CB . 6928 1 304 . 1 1 29 29 LYS CG C 13 25.315 0.1 . 1 . . . . 30 LYS CG . 6928 1 305 . 1 1 29 29 LYS CD C 13 29.290 0.1 . 1 . . . . 30 LYS CD . 6928 1 306 . 1 1 29 29 LYS CE C 13 41.906 0.1 . 1 . . . . 30 LYS CE . 6928 1 307 . 1 1 29 29 LYS N N 15 119.139 0.1 . 1 . . . . 30 LYS N . 6928 1 308 . 1 1 30 30 LYS H H 1 7.514 0.05 . 1 . . . . 31 LYS HN . 6928 1 309 . 1 1 30 30 LYS HA H 1 3.826 0.05 . 1 . . . . 31 LYS HA . 6928 1 310 . 1 1 30 30 LYS HB2 H 1 1.845 0.05 . 2 . . . . 31 LYS HB2 . 6928 1 311 . 1 1 30 30 LYS HB3 H 1 1.776 0.05 . 2 . . . . 31 LYS HB3 . 6928 1 312 . 1 1 30 30 LYS HG2 H 1 1.313 0.05 . 2 . . . . 31 LYS HG2 . 6928 1 313 . 1 1 30 30 LYS HG3 H 1 1.157 0.05 . 2 . . . . 31 LYS HG3 . 6928 1 314 . 1 1 30 30 LYS HD2 H 1 1.551 0.05 . 1 . . . . 31 LYS QD . 6928 1 315 . 1 1 30 30 LYS HD3 H 1 1.551 0.05 . 1 . . . . 31 LYS QD . 6928 1 316 . 1 1 30 30 LYS HE2 H 1 2.699 0.05 . 1 . . . . 31 LYS QE . 6928 1 317 . 1 1 30 30 LYS HE3 H 1 2.699 0.05 . 1 . . . . 31 LYS QE . 6928 1 318 . 1 1 30 30 LYS C C 13 178.680 0.1 . 1 . . . . 31 LYS C . 6928 1 319 . 1 1 30 30 LYS CA C 13 59.176 0.1 . 1 . . . . 31 LYS CA . 6928 1 320 . 1 1 30 30 LYS CB C 13 32.621 0.1 . 1 . . . . 31 LYS CB . 6928 1 321 . 1 1 30 30 LYS CG C 13 24.277 0.1 . 1 . . . . 31 LYS CG . 6928 1 322 . 1 1 30 30 LYS CD C 13 29.107 0.1 . 1 . . . . 31 LYS CD . 6928 1 323 . 1 1 30 30 LYS CE C 13 41.691 0.1 . 1 . . . . 31 LYS CE . 6928 1 324 . 1 1 30 30 LYS N N 15 117.302 0.1 . 1 . . . . 31 LYS N . 6928 1 325 . 1 1 31 31 ILE H H 1 6.833 0.05 . 1 . . . . 32 ILE HN . 6928 1 326 . 1 1 31 31 ILE HA H 1 3.618 0.05 . 1 . . . . 32 ILE HA . 6928 1 327 . 1 1 31 31 ILE HB H 1 1.811 0.05 . 1 . . . . 32 ILE HB . 6928 1 328 . 1 1 31 31 ILE HG12 H 1 1.718 0.05 . 9 . . . . 32 ILE HG12 . 6928 1 329 . 1 1 31 31 ILE HG13 H 1 1.057 0.05 . 9 . . . . 32 ILE HG13 . 6928 1 330 . 1 1 31 31 ILE HG21 H 1 1.014 0.05 . 1 . . . . 32 ILE QG2 . 6928 1 331 . 1 1 31 31 ILE HG22 H 1 1.014 0.05 . 1 . . . . 32 ILE QG2 . 6928 1 332 . 1 1 31 31 ILE HG23 H 1 1.014 0.05 . 1 . . . . 32 ILE QG2 . 6928 1 333 . 1 1 31 31 ILE HD11 H 1 0.813 0.05 . 1 . . . . 32 ILE QD1 . 6928 1 334 . 1 1 31 31 ILE HD12 H 1 0.813 0.05 . 1 . . . . 32 ILE QD1 . 6928 1 335 . 1 1 31 31 ILE HD13 H 1 0.813 0.05 . 1 . . . . 32 ILE QD1 . 6928 1 336 . 1 1 31 31 ILE C C 13 176.587 0.1 . 1 . . . . 32 ILE C . 6928 1 337 . 1 1 31 31 ILE CA C 13 64.027 0.1 . 1 . . . . 32 ILE CA . 6928 1 338 . 1 1 31 31 ILE CB C 13 38.354 0.1 . 1 . . . . 32 ILE CB . 6928 1 339 . 1 1 31 31 ILE CG1 C 13 30.742 0.1 . 1 . . . . 32 ILE CG1 . 6928 1 340 . 1 1 31 31 ILE CG2 C 13 18.686 0.1 . 1 . . . . 32 ILE CG2 . 6928 1 341 . 1 1 31 31 ILE CD1 C 13 13.415 0.1 . 1 . . . . 32 ILE CD1 . 6928 1 342 . 1 1 31 31 ILE N N 15 116.675 0.1 . 1 . . . . 32 ILE N . 6928 1 343 . 1 1 32 32 ARG H H 1 8.090 0.05 . 1 . . . . 33 ARG HN . 6928 1 344 . 1 1 32 32 ARG HA H 1 4.147 0.05 . 1 . . . . 33 ARG HA . 6928 1 345 . 1 1 32 32 ARG HB2 H 1 1.836 0.05 . 1 . . . . 33 ARG QB . 6928 1 346 . 1 1 32 32 ARG HB3 H 1 1.836 0.05 . 1 . . . . 33 ARG QB . 6928 1 347 . 1 1 32 32 ARG HG2 H 1 1.763 0.05 . 2 . . . . 33 ARG HG2 . 6928 1 348 . 1 1 32 32 ARG HG3 H 1 1.624 0.05 . 2 . . . . 33 ARG HG3 . 6928 1 349 . 1 1 32 32 ARG HD2 H 1 3.248 0.05 . 2 . . . . 33 ARG HD2 . 6928 1 350 . 1 1 32 32 ARG HD3 H 1 3.194 0.05 . 2 . . . . 33 ARG HD3 . 6928 1 351 . 1 1 32 32 ARG C C 13 177.587 0.1 . 1 . . . . 33 ARG C . 6928 1 352 . 1 1 32 32 ARG CA C 13 58.822 0.1 . 1 . . . . 33 ARG CA . 6928 1 353 . 1 1 32 32 ARG CB C 13 30.375 0.1 . 1 . . . . 33 ARG CB . 6928 1 354 . 1 1 32 32 ARG CG C 13 27.971 0.1 . 1 . . . . 33 ARG CG . 6928 1 355 . 1 1 32 32 ARG CD C 13 43.704 0.1 . 1 . . . . 33 ARG CD . 6928 1 356 . 1 1 32 32 ARG N N 15 116.932 0.1 . 1 . . . . 33 ARG N . 6928 1 357 . 1 1 33 33 ASP H H 1 7.793 0.05 . 1 . . . . 34 ASP HN . 6928 1 358 . 1 1 33 33 ASP HA H 1 4.615 0.05 . 1 . . . . 34 ASP HA . 6928 1 359 . 1 1 33 33 ASP HB2 H 1 2.760 0.05 . 2 . . . . 34 ASP HB2 . 6928 1 360 . 1 1 33 33 ASP HB3 H 1 2.707 0.05 . 2 . . . . 34 ASP HB3 . 6928 1 361 . 1 1 33 33 ASP C C 13 176.594 0.1 . 1 . . . . 34 ASP C . 6928 1 362 . 1 1 33 33 ASP CA C 13 54.182 0.1 . 1 . . . . 34 ASP CA . 6928 1 363 . 1 1 33 33 ASP CB C 13 40.993 0.1 . 1 . . . . 34 ASP CB . 6928 1 364 . 1 1 33 33 ASP N N 15 116.216 0.1 . 1 . . . . 34 ASP N . 6928 1 365 . 1 1 34 34 LEU H H 1 7.411 0.05 . 1 . . . . 35 LEU HN . 6928 1 366 . 1 1 34 34 LEU HA H 1 4.212 0.05 . 1 . . . . 35 LEU HA . 6928 1 367 . 1 1 34 34 LEU HB2 H 1 1.678 0.05 . 2 . . . . 35 LEU HB2 . 6928 1 368 . 1 1 34 34 LEU HB3 H 1 0.910 0.05 . 2 . . . . 35 LEU HB3 . 6928 1 369 . 1 1 34 34 LEU HG H 1 2.197 0.05 . 1 . . . . 35 LEU HG . 6928 1 370 . 1 1 34 34 LEU HD11 H 1 0.721 0.05 . 2 . . . . 35 LEU QD1 . 6928 1 371 . 1 1 34 34 LEU HD12 H 1 0.721 0.05 . 2 . . . . 35 LEU QD1 . 6928 1 372 . 1 1 34 34 LEU HD13 H 1 0.721 0.05 . 2 . . . . 35 LEU QD1 . 6928 1 373 . 1 1 34 34 LEU HD21 H 1 0.824 0.05 . 2 . . . . 35 LEU QD2 . 6928 1 374 . 1 1 34 34 LEU HD22 H 1 0.824 0.05 . 2 . . . . 35 LEU QD2 . 6928 1 375 . 1 1 34 34 LEU HD23 H 1 0.824 0.05 . 2 . . . . 35 LEU QD2 . 6928 1 376 . 1 1 34 34 LEU C C 13 174.289 0.1 . 1 . . . . 35 LEU C . 6928 1 377 . 1 1 34 34 LEU CA C 13 54.212 0.1 . 1 . . . . 35 LEU CA . 6928 1 378 . 1 1 34 34 LEU CB C 13 42.119 0.1 . 1 . . . . 35 LEU CB . 6928 1 379 . 1 1 34 34 LEU CG C 13 26.478 0.1 . 1 . . . . 35 LEU CG . 6928 1 380 . 1 1 34 34 LEU CD1 C 13 27.481 0.1 . 2 . . . . 35 LEU CD1 . 6928 1 381 . 1 1 34 34 LEU CD2 C 13 23.701 0.1 . 2 . . . . 35 LEU CD2 . 6928 1 382 . 1 1 34 34 LEU N N 15 125.191 0.1 . 1 . . . . 35 LEU N . 6928 1 383 . 1 1 35 35 PRO HA H 1 4.404 0.05 . 1 . . . . 36 PRO HA . 6928 1 384 . 1 1 35 35 PRO HB2 H 1 2.176 0.05 . 2 . . . . 36 PRO HB2 . 6928 1 385 . 1 1 35 35 PRO HB3 H 1 1.846 0.05 . 2 . . . . 36 PRO HB3 . 6928 1 386 . 1 1 35 35 PRO HG2 H 1 2.014 0.05 . 2 . . . . 36 PRO HG2 . 6928 1 387 . 1 1 35 35 PRO HG3 H 1 1.954 0.05 . 2 . . . . 36 PRO HG3 . 6928 1 388 . 1 1 35 35 PRO HD2 H 1 3.880 0.05 . 2 . . . . 36 PRO HD2 . 6928 1 389 . 1 1 35 35 PRO HD3 H 1 3.332 0.05 . 2 . . . . 36 PRO HD3 . 6928 1 390 . 1 1 35 35 PRO C C 13 178.143 0.1 . 1 . . . . 36 PRO C . 6928 1 391 . 1 1 35 35 PRO CA C 13 62.410 0.1 . 1 . . . . 36 PRO CA . 6928 1 392 . 1 1 35 35 PRO CB C 13 31.676 0.1 . 1 . . . . 36 PRO CB . 6928 1 393 . 1 1 35 35 PRO CG C 13 27.443 0.1 . 1 . . . . 36 PRO CG . 6928 1 394 . 1 1 35 35 PRO CD C 13 50.397 0.1 . 1 . . . . 36 PRO CD . 6928 1 395 . 1 1 36 36 ILE H H 1 8.126 0.05 . 1 . . . . 37 ILE HN . 6928 1 396 . 1 1 36 36 ILE HA H 1 4.079 0.05 . 1 . . . . 37 ILE HA . 6928 1 397 . 1 1 36 36 ILE HB H 1 2.077 0.05 . 1 . . . . 37 ILE HB . 6928 1 398 . 1 1 36 36 ILE HG12 H 1 1.499 0.05 . 9 . . . . 37 ILE HG12 . 6928 1 399 . 1 1 36 36 ILE HG13 H 1 1.334 0.05 . 9 . . . . 37 ILE HG13 . 6928 1 400 . 1 1 36 36 ILE HG21 H 1 1.117 0.05 . 1 . . . . 37 ILE QG2 . 6928 1 401 . 1 1 36 36 ILE HG22 H 1 1.117 0.05 . 1 . . . . 37 ILE QG2 . 6928 1 402 . 1 1 36 36 ILE HG23 H 1 1.117 0.05 . 1 . . . . 37 ILE QG2 . 6928 1 403 . 1 1 36 36 ILE HD11 H 1 0.974 0.05 . 1 . . . . 37 ILE QD1 . 6928 1 404 . 1 1 36 36 ILE HD12 H 1 0.974 0.05 . 1 . . . . 37 ILE QD1 . 6928 1 405 . 1 1 36 36 ILE HD13 H 1 0.974 0.05 . 1 . . . . 37 ILE QD1 . 6928 1 406 . 1 1 36 36 ILE C C 13 178.304 0.1 . 1 . . . . 37 ILE C . 6928 1 407 . 1 1 36 36 ILE CA C 13 64.479 0.1 . 1 . . . . 37 ILE CA . 6928 1 408 . 1 1 36 36 ILE CB C 13 38.020 0.1 . 1 . . . . 37 ILE CB . 6928 1 409 . 1 1 36 36 ILE CG1 C 13 26.782 0.1 . 1 . . . . 37 ILE CG1 . 6928 1 410 . 1 1 36 36 ILE CG2 C 13 18.134 0.1 . 1 . . . . 37 ILE CG2 . 6928 1 411 . 1 1 36 36 ILE CD1 C 13 14.305 0.1 . 1 . . . . 37 ILE CD1 . 6928 1 412 . 1 1 36 36 ILE N N 15 119.494 0.1 . 1 . . . . 37 ILE N . 6928 1 413 . 1 1 37 37 SER H H 1 7.812 0.05 . 1 . . . . 38 SER HN . 6928 1 414 . 1 1 37 37 SER HA H 1 4.167 0.05 . 1 . . . . 38 SER HA . 6928 1 415 . 1 1 37 37 SER HB2 H 1 3.912 0.05 . 2 . . . . 38 SER HB2 . 6928 1 416 . 1 1 37 37 SER HB3 H 1 3.777 0.05 . 2 . . . . 38 SER HB3 . 6928 1 417 . 1 1 37 37 SER C C 13 175.547 0.1 . 1 . . . . 38 SER C . 6928 1 418 . 1 1 37 37 SER CA C 13 58.970 0.1 . 1 . . . . 38 SER CA . 6928 1 419 . 1 1 37 37 SER CB C 13 62.659 0.1 . 1 . . . . 38 SER CB . 6928 1 420 . 1 1 37 37 SER N N 15 113.238 0.1 . 1 . . . . 38 SER N . 6928 1 421 . 1 1 38 38 LEU H H 1 7.185 0.05 . 1 . . . . 39 LEU HN . 6928 1 422 . 1 1 38 38 LEU HA H 1 3.789 0.05 . 1 . . . . 39 LEU HA . 6928 1 423 . 1 1 38 38 LEU HB2 H 1 0.354 0.05 . 2 . . . . 39 LEU HB2 . 6928 1 424 . 1 1 38 38 LEU HB3 H 1 0.172 0.05 . 2 . . . . 39 LEU HB3 . 6928 1 425 . 1 1 38 38 LEU HG H 1 1.164 0.05 . 1 . . . . 39 LEU HG . 6928 1 426 . 1 1 38 38 LEU HD11 H 1 0.119 0.05 . 2 . . . . 39 LEU QD1 . 6928 1 427 . 1 1 38 38 LEU HD12 H 1 0.119 0.05 . 2 . . . . 39 LEU QD1 . 6928 1 428 . 1 1 38 38 LEU HD13 H 1 0.119 0.05 . 2 . . . . 39 LEU QD1 . 6928 1 429 . 1 1 38 38 LEU HD21 H 1 0.348 0.05 . 2 . . . . 39 LEU QD2 . 6928 1 430 . 1 1 38 38 LEU HD22 H 1 0.348 0.05 . 2 . . . . 39 LEU QD2 . 6928 1 431 . 1 1 38 38 LEU HD23 H 1 0.348 0.05 . 2 . . . . 39 LEU QD2 . 6928 1 432 . 1 1 38 38 LEU C C 13 178.483 0.1 . 1 . . . . 39 LEU C . 6928 1 433 . 1 1 38 38 LEU CA C 13 56.297 0.1 . 1 . . . . 39 LEU CA . 6928 1 434 . 1 1 38 38 LEU CB C 13 42.642 0.1 . 1 . . . . 39 LEU CB . 6928 1 435 . 1 1 38 38 LEU CG C 13 26.682 0.1 . 1 . . . . 39 LEU CG . 6928 1 436 . 1 1 38 38 LEU CD1 C 13 25.369 0.1 . 2 . . . . 39 LEU CD1 . 6928 1 437 . 1 1 38 38 LEU CD2 C 13 22.814 0.1 . 2 . . . . 39 LEU CD2 . 6928 1 438 . 1 1 38 38 LEU N N 15 120.303 0.1 . 1 . . . . 39 LEU N . 6928 1 439 . 1 1 39 39 PHE H H 1 7.439 0.05 . 1 . . . . 40 PHE HN . 6928 1 440 . 1 1 39 39 PHE HA H 1 4.815 0.05 . 1 . . . . 40 PHE HA . 6928 1 441 . 1 1 39 39 PHE HB2 H 1 2.724 0.05 . 2 . . . . 40 PHE HB2 . 6928 1 442 . 1 1 39 39 PHE HB3 H 1 2.330 0.05 . 2 . . . . 40 PHE HB3 . 6928 1 443 . 1 1 39 39 PHE HD1 H 1 6.345 0.05 . 3 . . . . 40 PHE HD1 . 6928 1 444 . 1 1 39 39 PHE HE1 H 1 5.890 0.05 . 3 . . . . 40 PHE HE1 . 6928 1 445 . 1 1 39 39 PHE HZ H 1 5.913 0.05 . 1 . . . . 40 PHE HZ . 6928 1 446 . 1 1 39 39 PHE C C 13 175.976 0.1 . 1 . . . . 40 PHE C . 6928 1 447 . 1 1 39 39 PHE CA C 13 57.827 0.1 . 1 . . . . 40 PHE CA . 6928 1 448 . 1 1 39 39 PHE CB C 13 41.506 0.1 . 1 . . . . 40 PHE CB . 6928 1 449 . 1 1 39 39 PHE CD1 C 13 131.106 0.1 . 3 . . . . 40 PHE CD1 . 6928 1 450 . 1 1 39 39 PHE CE1 C 13 131.628 0.1 . 3 . . . . 40 PHE CE1 . 6928 1 451 . 1 1 39 39 PHE CZ C 13 128.068 0.1 . 1 . . . . 40 PHE CZ . 6928 1 452 . 1 1 39 39 PHE N N 15 115.138 0.1 . 1 . . . . 40 PHE N . 6928 1 453 . 1 1 40 40 ASP H H 1 9.196 0.05 . 1 . . . . 41 ASP HN . 6928 1 454 . 1 1 40 40 ASP HA H 1 4.888 0.05 . 1 . . . . 41 ASP HA . 6928 1 455 . 1 1 40 40 ASP HB2 H 1 2.593 0.05 . 2 . . . . 41 ASP HB2 . 6928 1 456 . 1 1 40 40 ASP HB3 H 1 2.206 0.05 . 2 . . . . 41 ASP HB3 . 6928 1 457 . 1 1 40 40 ASP C C 13 177.315 0.1 . 1 . . . . 41 ASP C . 6928 1 458 . 1 1 40 40 ASP CA C 13 56.934 0.1 . 1 . . . . 41 ASP CA . 6928 1 459 . 1 1 40 40 ASP CB C 13 41.331 0.1 . 1 . . . . 41 ASP CB . 6928 1 460 . 1 1 40 40 ASP N N 15 125.018 0.1 . 1 . . . . 41 ASP N . 6928 1 461 . 1 1 41 41 TYR H H 1 8.270 0.05 . 1 . . . . 42 TYR HN . 6928 1 462 . 1 1 41 41 TYR HA H 1 5.115 0.05 . 1 . . . . 42 TYR HA . 6928 1 463 . 1 1 41 41 TYR HB2 H 1 3.805 0.05 . 2 . . . . 42 TYR HB2 . 6928 1 464 . 1 1 41 41 TYR HB3 H 1 2.522 0.05 . 2 . . . . 42 TYR HB3 . 6928 1 465 . 1 1 41 41 TYR HD1 H 1 7.192 0.05 . 3 . . . . 42 TYR HD1 . 6928 1 466 . 1 1 41 41 TYR HE1 H 1 6.610 0.05 . 3 . . . . 42 TYR HE1 . 6928 1 467 . 1 1 41 41 TYR C C 13 171.807 0.1 . 1 . . . . 42 TYR C . 6928 1 468 . 1 1 41 41 TYR CA C 13 58.079 0.1 . 1 . . . . 42 TYR CA . 6928 1 469 . 1 1 41 41 TYR CB C 13 41.069 0.1 . 1 . . . . 42 TYR CB . 6928 1 470 . 1 1 41 41 TYR CD1 C 13 132.117 0.1 . 3 . . . . 42 TYR CD1 . 6928 1 471 . 1 1 41 41 TYR CE1 C 13 117.266 0.1 . 3 . . . . 42 TYR CE1 . 6928 1 472 . 1 1 41 41 TYR N N 15 117.734 0.1 . 1 . . . . 42 TYR N . 6928 1 473 . 1 1 42 42 PHE H H 1 7.874 0.05 . 1 . . . . 43 PHE HN . 6928 1 474 . 1 1 42 42 PHE HA H 1 4.722 0.05 . 1 . . . . 43 PHE HA . 6928 1 475 . 1 1 42 42 PHE HB2 H 1 2.410 0.05 . 2 . . . . 43 PHE HB2 . 6928 1 476 . 1 1 42 42 PHE HB3 H 1 1.633 0.05 . 2 . . . . 43 PHE HB3 . 6928 1 477 . 1 1 42 42 PHE HD1 H 1 6.388 0.05 . 3 . . . . 43 PHE HD1 . 6928 1 478 . 1 1 42 42 PHE HE1 H 1 6.782 0.05 . 3 . . . . 43 PHE HE1 . 6928 1 479 . 1 1 42 42 PHE HZ H 1 6.664 0.05 . 1 . . . . 43 PHE HZ . 6928 1 480 . 1 1 42 42 PHE C C 13 171.445 0.1 . 1 . . . . 43 PHE C . 6928 1 481 . 1 1 42 42 PHE CA C 13 55.524 0.1 . 1 . . . . 43 PHE CA . 6928 1 482 . 1 1 42 42 PHE CB C 13 43.389 0.1 . 1 . . . . 43 PHE CB . 6928 1 483 . 1 1 42 42 PHE CD1 C 13 131.142 0.1 . 3 . . . . 43 PHE CD1 . 6928 1 484 . 1 1 42 42 PHE CE1 C 13 129.607 0.1 . 3 . . . . 43 PHE CE1 . 6928 1 485 . 1 1 42 42 PHE CZ C 13 128.453 0.1 . 1 . . . . 43 PHE CZ . 6928 1 486 . 1 1 42 42 PHE N N 15 130.297 0.1 . 1 . . . . 43 PHE N . 6928 1 487 . 1 1 43 43 ILE H H 1 8.107 0.05 . 1 . . . . 44 ILE HN . 6928 1 488 . 1 1 43 43 ILE HA H 1 4.681 0.05 . 1 . . . . 44 ILE HA . 6928 1 489 . 1 1 43 43 ILE HB H 1 1.889 0.05 . 1 . . . . 44 ILE HB . 6928 1 490 . 1 1 43 43 ILE HG12 H 1 1.471 0.05 . 9 . . . . 44 ILE HG12 . 6928 1 491 . 1 1 43 43 ILE HG13 H 1 0.725 0.05 . 9 . . . . 44 ILE HG13 . 6928 1 492 . 1 1 43 43 ILE HG21 H 1 0.978 0.05 . 1 . . . . 44 ILE QG2 . 6928 1 493 . 1 1 43 43 ILE HG22 H 1 0.978 0.05 . 1 . . . . 44 ILE QG2 . 6928 1 494 . 1 1 43 43 ILE HG23 H 1 0.978 0.05 . 1 . . . . 44 ILE QG2 . 6928 1 495 . 1 1 43 43 ILE HD11 H 1 0.937 0.05 . 1 . . . . 44 ILE QD1 . 6928 1 496 . 1 1 43 43 ILE HD12 H 1 0.937 0.05 . 1 . . . . 44 ILE QD1 . 6928 1 497 . 1 1 43 43 ILE HD13 H 1 0.937 0.05 . 1 . . . . 44 ILE QD1 . 6928 1 498 . 1 1 43 43 ILE C C 13 171.311 0.1 . 1 . . . . 44 ILE C . 6928 1 499 . 1 1 43 43 ILE CA C 13 59.171 0.1 . 1 . . . . 44 ILE CA . 6928 1 500 . 1 1 43 43 ILE CB C 13 39.698 0.1 . 1 . . . . 44 ILE CB . 6928 1 501 . 1 1 43 43 ILE CG1 C 13 29.751 0.1 . 1 . . . . 44 ILE CG1 . 6928 1 502 . 1 1 43 43 ILE CG2 C 13 16.212 0.1 . 1 . . . . 44 ILE CG2 . 6928 1 503 . 1 1 43 43 ILE CD1 C 13 14.969 0.1 . 1 . . . . 44 ILE CD1 . 6928 1 504 . 1 1 43 43 ILE N N 15 122.762 0.1 . 1 . . . . 44 ILE N . 6928 1 505 . 1 1 44 44 VAL H H 1 8.171 0.05 . 1 . . . . 45 VAL HN . 6928 1 506 . 1 1 44 44 VAL HA H 1 4.506 0.05 . 1 . . . . 45 VAL HA . 6928 1 507 . 1 1 44 44 VAL HB H 1 1.759 0.05 . 1 . . . . 45 VAL HB . 6928 1 508 . 1 1 44 44 VAL HG11 H 1 0.887 0.05 . 2 . . . . 45 VAL QG1 . 6928 1 509 . 1 1 44 44 VAL HG12 H 1 0.887 0.05 . 2 . . . . 45 VAL QG1 . 6928 1 510 . 1 1 44 44 VAL HG13 H 1 0.887 0.05 . 2 . . . . 45 VAL QG1 . 6928 1 511 . 1 1 44 44 VAL HG21 H 1 0.516 0.05 . 2 . . . . 45 VAL QG2 . 6928 1 512 . 1 1 44 44 VAL HG22 H 1 0.516 0.05 . 2 . . . . 45 VAL QG2 . 6928 1 513 . 1 1 44 44 VAL HG23 H 1 0.516 0.05 . 2 . . . . 45 VAL QG2 . 6928 1 514 . 1 1 44 44 VAL C C 13 174.133 0.1 . 1 . . . . 45 VAL C . 6928 1 515 . 1 1 44 44 VAL CA C 13 60.142 0.1 . 1 . . . . 45 VAL CA . 6928 1 516 . 1 1 44 44 VAL CB C 13 34.694 0.1 . 1 . . . . 45 VAL CB . 6928 1 517 . 1 1 44 44 VAL CG1 C 13 22.914 0.1 . 2 . . . . 45 VAL CG1 . 6928 1 518 . 1 1 44 44 VAL CG2 C 13 23.164 0.1 . 2 . . . . 45 VAL CG2 . 6928 1 519 . 1 1 44 44 VAL N N 15 122.086 0.1 . 1 . . . . 45 VAL N . 6928 1 520 . 1 1 45 45 GLY H H 1 9.334 0.05 . 1 . . . . 46 GLY HN . 6928 1 521 . 1 1 45 45 GLY HA2 H 1 4.737 0.05 . 2 . . . . 46 GLY HA1 . 6928 1 522 . 1 1 45 45 GLY HA3 H 1 3.911 0.05 . 2 . . . . 46 GLY HA2 . 6928 1 523 . 1 1 45 45 GLY C C 13 171.680 0.1 . 1 . . . . 46 GLY C . 6928 1 524 . 1 1 45 45 GLY CA C 13 44.033 0.1 . 1 . . . . 46 GLY CA . 6928 1 525 . 1 1 45 45 GLY N N 15 116.367 0.1 . 1 . . . . 46 GLY N . 6928 1 526 . 1 1 46 46 GLU H H 1 8.675 0.05 . 1 . . . . 47 GLU HN . 6928 1 527 . 1 1 46 46 GLU HA H 1 4.842 0.05 . 1 . . . . 47 GLU HA . 6928 1 528 . 1 1 46 46 GLU HB2 H 1 1.939 0.05 . 2 . . . . 47 GLU HB2 . 6928 1 529 . 1 1 46 46 GLU HB3 H 1 1.895 0.05 . 2 . . . . 47 GLU HB3 . 6928 1 530 . 1 1 46 46 GLU HG2 H 1 1.997 0.05 . 1 . . . . 47 GLU QG . 6928 1 531 . 1 1 46 46 GLU HG3 H 1 1.997 0.05 . 1 . . . . 47 GLU QG . 6928 1 532 . 1 1 46 46 GLU C C 13 175.500 0.1 . 1 . . . . 47 GLU C . 6928 1 533 . 1 1 46 46 GLU CA C 13 55.855 0.1 . 1 . . . . 47 GLU CA . 6928 1 534 . 1 1 46 46 GLU CB C 13 31.146 0.1 . 1 . . . . 47 GLU CB . 6928 1 535 . 1 1 46 46 GLU CG C 13 36.554 0.1 . 1 . . . . 47 GLU CG . 6928 1 536 . 1 1 46 46 GLU N N 15 122.252 0.1 . 1 . . . . 47 GLU N . 6928 1 537 . 1 1 47 47 GLU H H 1 8.816 0.05 . 1 . . . . 48 GLU HN . 6928 1 538 . 1 1 47 47 GLU HA H 1 4.639 0.05 . 1 . . . . 48 GLU HA . 6928 1 539 . 1 1 47 47 GLU HB2 H 1 1.719 0.05 . 2 . . . . 48 GLU HB2 . 6928 1 540 . 1 1 47 47 GLU HB3 H 1 1.062 0.05 . 2 . . . . 48 GLU HB3 . 6928 1 541 . 1 1 47 47 GLU HG2 H 1 1.934 0.05 . 1 . . . . 48 GLU QG . 6928 1 542 . 1 1 47 47 GLU HG3 H 1 1.934 0.05 . 1 . . . . 48 GLU QG . 6928 1 543 . 1 1 47 47 GLU C C 13 176.324 0.1 . 1 . . . . 48 GLU C . 6928 1 544 . 1 1 47 47 GLU CA C 13 54.730 0.1 . 1 . . . . 48 GLU CA . 6928 1 545 . 1 1 47 47 GLU CB C 13 32.924 0.1 . 1 . . . . 48 GLU CB . 6928 1 546 . 1 1 47 47 GLU CG C 13 36.455 0.1 . 1 . . . . 48 GLU CG . 6928 1 547 . 1 1 47 47 GLU N N 15 126.192 0.1 . 1 . . . . 48 GLU N . 6928 1 548 . 1 1 48 48 GLY H H 1 8.971 0.05 . 1 . . . . 49 GLY HN . 6928 1 549 . 1 1 48 48 GLY HA2 H 1 4.035 0.05 . 2 . . . . 49 GLY HA1 . 6928 1 550 . 1 1 48 48 GLY HA3 H 1 3.674 0.05 . 2 . . . . 49 GLY HA2 . 6928 1 551 . 1 1 48 48 GLY C C 13 173.508 0.1 . 1 . . . . 49 GLY C . 6928 1 552 . 1 1 48 48 GLY CA C 13 46.422 0.1 . 1 . . . . 49 GLY CA . 6928 1 553 . 1 1 48 48 GLY N N 15 108.875 0.1 . 1 . . . . 49 GLY N . 6928 1 554 . 1 1 49 49 ASN H H 1 8.132 0.05 . 1 . . . . 50 ASN HN . 6928 1 555 . 1 1 49 49 ASN HA H 1 4.667 0.05 . 1 . . . . 50 ASN HA . 6928 1 556 . 1 1 49 49 ASN HB2 H 1 2.725 0.05 . 2 . . . . 50 ASN HB2 . 6928 1 557 . 1 1 49 49 ASN HB3 H 1 2.575 0.05 . 2 . . . . 50 ASN HB3 . 6928 1 558 . 1 1 49 49 ASN HD21 H 1 7.562 0.05 . 2 . . . . 50 ASN HD21 . 6928 1 559 . 1 1 49 49 ASN HD22 H 1 7.073 0.05 . 2 . . . . 50 ASN HD22 . 6928 1 560 . 1 1 49 49 ASN C C 13 175.433 0.1 . 1 . . . . 50 ASN C . 6928 1 561 . 1 1 49 49 ASN CA C 13 53.315 0.1 . 1 . . . . 50 ASN CA . 6928 1 562 . 1 1 49 49 ASN CB C 13 38.634 0.1 . 1 . . . . 50 ASN CB . 6928 1 563 . 1 1 49 49 ASN CG C 13 177.295 0.1 . 1 . . . . 50 ASN CG . 6928 1 564 . 1 1 49 49 ASN N N 15 116.586 0.1 . 1 . . . . 50 ASN N . 6928 1 565 . 1 1 49 49 ASN ND2 N 15 112.799 0.1 . 1 . . . . 50 ASN ND2 . 6928 1 566 . 1 1 50 50 GLU H H 1 8.159 0.05 . 1 . . . . 51 GLU HN . 6928 1 567 . 1 1 50 50 GLU HA H 1 4.306 0.05 . 1 . . . . 51 GLU HA . 6928 1 568 . 1 1 50 50 GLU HB2 H 1 1.913 0.05 . 2 . . . . 51 GLU HB2 . 6928 1 569 . 1 1 50 50 GLU HB3 H 1 1.834 0.05 . 2 . . . . 51 GLU HB3 . 6928 1 570 . 1 1 50 50 GLU HG2 H 1 2.200 0.05 . 1 . . . . 51 GLU QG . 6928 1 571 . 1 1 50 50 GLU HG3 H 1 2.200 0.05 . 1 . . . . 51 GLU QG . 6928 1 572 . 1 1 50 50 GLU C C 13 175.884 0.1 . 1 . . . . 51 GLU C . 6928 1 573 . 1 1 50 50 GLU CA C 13 56.281 0.1 . 1 . . . . 51 GLU CA . 6928 1 574 . 1 1 50 50 GLU CB C 13 31.257 0.1 . 1 . . . . 51 GLU CB . 6928 1 575 . 1 1 50 50 GLU CG C 13 36.267 0.1 . 1 . . . . 51 GLU CG . 6928 1 576 . 1 1 50 50 GLU N N 15 119.583 0.1 . 1 . . . . 51 GLU N . 6928 1 577 . 1 1 51 51 GLU H H 1 8.584 0.05 . 1 . . . . 52 GLU HN . 6928 1 578 . 1 1 51 51 GLU HA H 1 4.085 0.05 . 1 . . . . 52 GLU HA . 6928 1 579 . 1 1 51 51 GLU HB2 H 1 1.971 0.05 . 1 . . . . 52 GLU QB . 6928 1 580 . 1 1 51 51 GLU HB3 H 1 1.971 0.05 . 1 . . . . 52 GLU QB . 6928 1 581 . 1 1 51 51 GLU HG2 H 1 2.255 0.05 . 1 . . . . 52 GLU QG . 6928 1 582 . 1 1 51 51 GLU HG3 H 1 2.255 0.05 . 1 . . . . 52 GLU QG . 6928 1 583 . 1 1 51 51 GLU C C 13 177.329 0.1 . 1 . . . . 52 GLU C . 6928 1 584 . 1 1 51 51 GLU CA C 13 57.798 0.1 . 1 . . . . 52 GLU CA . 6928 1 585 . 1 1 51 51 GLU CB C 13 29.389 0.1 . 1 . . . . 52 GLU CB . 6928 1 586 . 1 1 51 51 GLU CG C 13 36.139 0.1 . 1 . . . . 52 GLU CG . 6928 1 587 . 1 1 51 51 GLU N N 15 121.265 0.1 . 1 . . . . 52 GLU N . 6928 1 588 . 1 1 52 52 GLY H H 1 8.733 0.05 . 1 . . . . 53 GLY HN . 6928 1 589 . 1 1 52 52 GLY HA2 H 1 4.159 0.05 . 2 . . . . 53 GLY HA1 . 6928 1 590 . 1 1 52 52 GLY HA3 H 1 3.734 0.05 . 2 . . . . 53 GLY HA2 . 6928 1 591 . 1 1 52 52 GLY C C 13 174.309 0.1 . 1 . . . . 53 GLY C . 6928 1 592 . 1 1 52 52 GLY CA C 13 45.444 0.1 . 1 . . . . 53 GLY CA . 6928 1 593 . 1 1 52 52 GLY N N 15 111.799 0.1 . 1 . . . . 53 GLY N . 6928 1 594 . 1 1 53 53 ARG H H 1 7.821 0.05 . 1 . . . . 54 ARG HN . 6928 1 595 . 1 1 53 53 ARG HA H 1 4.606 0.05 . 1 . . . . 54 ARG HA . 6928 1 596 . 1 1 53 53 ARG HB2 H 1 1.902 0.05 . 2 . . . . 54 ARG HB2 . 6928 1 597 . 1 1 53 53 ARG HB3 H 1 1.770 0.05 . 2 . . . . 54 ARG HB3 . 6928 1 598 . 1 1 53 53 ARG HG2 H 1 1.582 0.05 . 1 . . . . 54 ARG QG . 6928 1 599 . 1 1 53 53 ARG HG3 H 1 1.582 0.05 . 1 . . . . 54 ARG QG . 6928 1 600 . 1 1 53 53 ARG HD2 H 1 3.141 0.05 . 1 . . . . 54 ARG QD . 6928 1 601 . 1 1 53 53 ARG HD3 H 1 3.141 0.05 . 1 . . . . 54 ARG QD . 6928 1 602 . 1 1 53 53 ARG C C 13 175.343 0.1 . 1 . . . . 54 ARG C . 6928 1 603 . 1 1 53 53 ARG CA C 13 54.813 0.1 . 1 . . . . 54 ARG CA . 6928 1 604 . 1 1 53 53 ARG CB C 13 31.985 0.1 . 1 . . . . 54 ARG CB . 6928 1 605 . 1 1 53 53 ARG CG C 13 27.291 0.1 . 1 . . . . 54 ARG CG . 6928 1 606 . 1 1 53 53 ARG CD C 13 43.320 0.1 . 1 . . . . 54 ARG CD . 6928 1 607 . 1 1 53 53 ARG N N 15 119.747 0.1 . 1 . . . . 54 ARG N . 6928 1 608 . 1 1 54 54 THR H H 1 8.484 0.05 . 1 . . . . 55 THR HN . 6928 1 609 . 1 1 54 54 THR HA H 1 4.677 0.05 . 1 . . . . 55 THR HA . 6928 1 610 . 1 1 54 54 THR HB H 1 4.054 0.05 . 1 . . . . 55 THR HB . 6928 1 611 . 1 1 54 54 THR HG21 H 1 1.294 0.05 . 1 . . . . 55 THR QG2 . 6928 1 612 . 1 1 54 54 THR HG22 H 1 1.294 0.05 . 1 . . . . 55 THR QG2 . 6928 1 613 . 1 1 54 54 THR HG23 H 1 1.294 0.05 . 1 . . . . 55 THR QG2 . 6928 1 614 . 1 1 54 54 THR CA C 13 60.096 0.1 . 1 . . . . 55 THR CA . 6928 1 615 . 1 1 54 54 THR CB C 13 70.396 0.1 . 1 . . . . 55 THR CB . 6928 1 616 . 1 1 54 54 THR CG2 C 13 21.309 0.1 . 1 . . . . 55 THR CG2 . 6928 1 617 . 1 1 54 54 THR N N 15 118.116 0.1 . 1 . . . . 55 THR N . 6928 1 618 . 1 1 55 55 PRO HA H 1 4.984 0.05 . 1 . . . . 56 PRO HA . 6928 1 619 . 1 1 55 55 PRO HB2 H 1 2.264 0.05 . 2 . . . . 56 PRO HB2 . 6928 1 620 . 1 1 55 55 PRO HB3 H 1 1.892 0.05 . 2 . . . . 56 PRO HB3 . 6928 1 621 . 1 1 55 55 PRO HG2 H 1 2.081 0.05 . 2 . . . . 56 PRO HG2 . 6928 1 622 . 1 1 55 55 PRO HG3 H 1 1.958 0.05 . 2 . . . . 56 PRO HG3 . 6928 1 623 . 1 1 55 55 PRO HD2 H 1 4.060 0.05 . 2 . . . . 56 PRO HD2 . 6928 1 624 . 1 1 55 55 PRO HD3 H 1 3.769 0.05 . 2 . . . . 56 PRO HD3 . 6928 1 625 . 1 1 55 55 PRO C C 13 176.712 0.1 . 1 . . . . 56 PRO C . 6928 1 626 . 1 1 55 55 PRO CA C 13 63.007 0.1 . 1 . . . . 56 PRO CA . 6928 1 627 . 1 1 55 55 PRO CB C 13 33.245 0.1 . 1 . . . . 56 PRO CB . 6928 1 628 . 1 1 55 55 PRO CG C 13 28.013 0.1 . 1 . . . . 56 PRO CG . 6928 1 629 . 1 1 55 55 PRO CD C 13 51.698 0.1 . 1 . . . . 56 PRO CD . 6928 1 630 . 1 1 56 56 HIS H H 1 8.738 0.05 . 1 . . . . 57 HIS HN . 6928 1 631 . 1 1 56 56 HIS HA H 1 5.319 0.05 . 1 . . . . 57 HIS HA . 6928 1 632 . 1 1 56 56 HIS HB2 H 1 3.341 0.05 . 2 . . . . 57 HIS HB2 . 6928 1 633 . 1 1 56 56 HIS HB3 H 1 3.018 0.05 . 2 . . . . 57 HIS HB3 . 6928 1 634 . 1 1 56 56 HIS HD2 H 1 6.840 0.05 . 1 . . . . 57 HIS HD2 . 6928 1 635 . 1 1 56 56 HIS HE1 H 1 8.200 0.05 . 1 . . . . 57 HIS HE1 . 6928 1 636 . 1 1 56 56 HIS C C 13 173.198 0.1 . 1 . . . . 57 HIS C . 6928 1 637 . 1 1 56 56 HIS CA C 13 55.478 0.1 . 1 . . . . 57 HIS CA . 6928 1 638 . 1 1 56 56 HIS CB C 13 33.147 0.1 . 1 . . . . 57 HIS CB . 6928 1 639 . 1 1 56 56 HIS CD2 C 13 120.851 0.1 . 1 . . . . 57 HIS CD2 . 6928 1 640 . 1 1 56 56 HIS CE1 C 13 137.850 0.1 . 1 . . . . 57 HIS CE1 . 6928 1 641 . 1 1 56 56 HIS N N 15 116.513 0.1 . 1 . . . . 57 HIS N . 6928 1 642 . 1 1 56 56 HIS ND1 N 15 194.869 0.1 . 1 . . . . 57 HIS ND1 . 6928 1 643 . 1 1 56 56 HIS NE2 N 15 183.233 0.1 . 1 . . . . 57 HIS NE2 . 6928 1 644 . 1 1 57 57 LEU H H 1 8.948 0.05 . 1 . . . . 58 LEU HN . 6928 1 645 . 1 1 57 57 LEU HA H 1 5.248 0.05 . 1 . . . . 58 LEU HA . 6928 1 646 . 1 1 57 57 LEU HB2 H 1 1.756 0.05 . 2 . . . . 58 LEU HB2 . 6928 1 647 . 1 1 57 57 LEU HB3 H 1 1.194 0.05 . 2 . . . . 58 LEU HB3 . 6928 1 648 . 1 1 57 57 LEU HG H 1 1.652 0.05 . 1 . . . . 58 LEU HG . 6928 1 649 . 1 1 57 57 LEU HD11 H 1 0.831 0.05 . 2 . . . . 58 LEU QD1 . 6928 1 650 . 1 1 57 57 LEU HD12 H 1 0.831 0.05 . 2 . . . . 58 LEU QD1 . 6928 1 651 . 1 1 57 57 LEU HD13 H 1 0.831 0.05 . 2 . . . . 58 LEU QD1 . 6928 1 652 . 1 1 57 57 LEU HD21 H 1 0.801 0.05 . 2 . . . . 58 LEU QD2 . 6928 1 653 . 1 1 57 57 LEU HD22 H 1 0.801 0.05 . 2 . . . . 58 LEU QD2 . 6928 1 654 . 1 1 57 57 LEU HD23 H 1 0.801 0.05 . 2 . . . . 58 LEU QD2 . 6928 1 655 . 1 1 57 57 LEU C C 13 175.919 0.1 . 1 . . . . 58 LEU C . 6928 1 656 . 1 1 57 57 LEU CA C 13 53.018 0.1 . 1 . . . . 58 LEU CA . 6928 1 657 . 1 1 57 57 LEU CB C 13 42.771 0.1 . 1 . . . . 58 LEU CB . 6928 1 658 . 1 1 57 57 LEU CG C 13 27.094 0.1 . 1 . . . . 58 LEU CG . 6928 1 659 . 1 1 57 57 LEU CD1 C 13 26.336 0.1 . 2 . . . . 58 LEU CD1 . 6928 1 660 . 1 1 57 57 LEU CD2 C 13 23.157 0.1 . 2 . . . . 58 LEU CD2 . 6928 1 661 . 1 1 57 57 LEU N N 15 118.312 0.1 . 1 . . . . 58 LEU N . 6928 1 662 . 1 1 58 58 GLN H H 1 8.915 0.05 . 1 . . . . 59 GLN HN . 6928 1 663 . 1 1 58 58 GLN HA H 1 4.660 0.05 . 1 . . . . 59 GLN HA . 6928 1 664 . 1 1 58 58 GLN HB2 H 1 2.048 0.05 . 2 . . . . 59 GLN HB2 . 6928 1 665 . 1 1 58 58 GLN HB3 H 1 1.760 0.05 . 2 . . . . 59 GLN HB3 . 6928 1 666 . 1 1 58 58 GLN HG2 H 1 2.444 0.05 . 2 . . . . 59 GLN HG2 . 6928 1 667 . 1 1 58 58 GLN HG3 H 1 1.990 0.05 . 2 . . . . 59 GLN HG3 . 6928 1 668 . 1 1 58 58 GLN HE21 H 1 7.937 0.05 . 2 . . . . 59 GLN HE21 . 6928 1 669 . 1 1 58 58 GLN HE22 H 1 6.981 0.05 . 2 . . . . 59 GLN HE22 . 6928 1 670 . 1 1 58 58 GLN C C 13 173.858 0.1 . 1 . . . . 59 GLN C . 6928 1 671 . 1 1 58 58 GLN CA C 13 54.137 0.1 . 1 . . . . 59 GLN CA . 6928 1 672 . 1 1 58 58 GLN CB C 13 31.809 0.1 . 1 . . . . 59 GLN CB . 6928 1 673 . 1 1 58 58 GLN CG C 13 34.130 0.1 . 1 . . . . 59 GLN CG . 6928 1 674 . 1 1 58 58 GLN CD C 13 179.544 0.1 . 1 . . . . 59 GLN CD . 6928 1 675 . 1 1 58 58 GLN N N 15 124.178 0.1 . 1 . . . . 59 GLN N . 6928 1 676 . 1 1 58 58 GLN NE2 N 15 115.811 0.1 . 1 . . . . 59 GLN NE2 . 6928 1 677 . 1 1 59 59 GLY H H 1 8.682 0.05 . 1 . . . . 60 GLY HN . 6928 1 678 . 1 1 59 59 GLY HA2 H 1 5.124 0.05 . 2 . . . . 60 GLY HA1 . 6928 1 679 . 1 1 59 59 GLY HA3 H 1 2.536 0.05 . 2 . . . . 60 GLY HA2 . 6928 1 680 . 1 1 59 59 GLY C C 13 172.637 0.1 . 1 . . . . 60 GLY C . 6928 1 681 . 1 1 59 59 GLY CA C 13 45.536 0.1 . 1 . . . . 60 GLY CA . 6928 1 682 . 1 1 59 59 GLY N N 15 113.432 0.1 . 1 . . . . 60 GLY N . 6928 1 683 . 1 1 60 60 PHE H H 1 8.788 0.05 . 1 . . . . 61 PHE HN . 6928 1 684 . 1 1 60 60 PHE HA H 1 5.322 0.05 . 1 . . . . 61 PHE HA . 6928 1 685 . 1 1 60 60 PHE HB2 H 1 3.036 0.05 . 2 . . . . 61 PHE HB2 . 6928 1 686 . 1 1 60 60 PHE HB3 H 1 2.657 0.05 . 2 . . . . 61 PHE HB3 . 6928 1 687 . 1 1 60 60 PHE HD1 H 1 7.104 0.05 . 3 . . . . 61 PHE HD1 . 6928 1 688 . 1 1 60 60 PHE HE1 H 1 7.148 0.05 . 3 . . . . 61 PHE HE1 . 6928 1 689 . 1 1 60 60 PHE HZ H 1 7.209 0.05 . 1 . . . . 61 PHE HZ . 6928 1 690 . 1 1 60 60 PHE C C 13 170.799 0.1 . 1 . . . . 61 PHE C . 6928 1 691 . 1 1 60 60 PHE CA C 13 56.966 0.1 . 1 . . . . 61 PHE CA . 6928 1 692 . 1 1 60 60 PHE CB C 13 42.557 0.1 . 1 . . . . 61 PHE CB . 6928 1 693 . 1 1 60 60 PHE CD1 C 13 132.140 0.1 . 3 . . . . 61 PHE CD1 . 6928 1 694 . 1 1 60 60 PHE CZ C 13 130.917 0.1 . 1 . . . . 61 PHE CZ . 6928 1 695 . 1 1 60 60 PHE N N 15 120.779 0.1 . 1 . . . . 61 PHE N . 6928 1 696 . 1 1 61 61 ALA H H 1 9.124 0.05 . 1 . . . . 62 ALA HN . 6928 1 697 . 1 1 61 61 ALA HA H 1 4.459 0.05 . 1 . . . . 62 ALA HA . 6928 1 698 . 1 1 61 61 ALA HB1 H 1 1.060 0.05 . 1 . . . . 62 ALA QB . 6928 1 699 . 1 1 61 61 ALA HB2 H 1 1.060 0.05 . 1 . . . . 62 ALA QB . 6928 1 700 . 1 1 61 61 ALA HB3 H 1 1.060 0.05 . 1 . . . . 62 ALA QB . 6928 1 701 . 1 1 61 61 ALA C C 13 172.743 0.1 . 1 . . . . 62 ALA C . 6928 1 702 . 1 1 61 61 ALA CA C 13 50.529 0.1 . 1 . . . . 62 ALA CA . 6928 1 703 . 1 1 61 61 ALA CB C 13 23.497 0.1 . 1 . . . . 62 ALA CB . 6928 1 704 . 1 1 61 61 ALA N N 15 128.488 0.1 . 1 . . . . 62 ALA N . 6928 1 705 . 1 1 62 62 ASN H H 1 8.868 0.05 . 1 . . . . 63 ASN HN . 6928 1 706 . 1 1 62 62 ASN HA H 1 5.199 0.05 . 1 . . . . 63 ASN HA . 6928 1 707 . 1 1 62 62 ASN HB2 H 1 3.432 0.05 . 2 . . . . 63 ASN HB2 . 6928 1 708 . 1 1 62 62 ASN HB3 H 1 2.656 0.05 . 2 . . . . 63 ASN HB3 . 6928 1 709 . 1 1 62 62 ASN HD21 H 1 5.481 0.05 . 2 . . . . 63 ASN HD21 . 6928 1 710 . 1 1 62 62 ASN HD22 H 1 6.895 0.05 . 2 . . . . 63 ASN HD22 . 6928 1 711 . 1 1 62 62 ASN C C 13 177.169 0.1 . 1 . . . . 63 ASN C . 6928 1 712 . 1 1 62 62 ASN CA C 13 51.268 0.1 . 1 . . . . 63 ASN CA . 6928 1 713 . 1 1 62 62 ASN CB C 13 38.567 0.1 . 1 . . . . 63 ASN CB . 6928 1 714 . 1 1 62 62 ASN N N 15 120.375 0.1 . 1 . . . . 63 ASN N . 6928 1 715 . 1 1 62 62 ASN ND2 N 15 110.035 0.1 . 1 . . . . 63 ASN ND2 . 6928 1 716 . 1 1 63 63 PHE H H 1 9.456 0.05 . 1 . . . . 64 PHE HN . 6928 1 717 . 1 1 63 63 PHE HA H 1 4.618 0.05 . 1 . . . . 64 PHE HA . 6928 1 718 . 1 1 63 63 PHE HB2 H 1 3.747 0.05 . 2 . . . . 64 PHE HB2 . 6928 1 719 . 1 1 63 63 PHE HB3 H 1 3.463 0.05 . 2 . . . . 64 PHE HB3 . 6928 1 720 . 1 1 63 63 PHE HD1 H 1 7.479 0.05 . 3 . . . . 64 PHE HD1 . 6928 1 721 . 1 1 63 63 PHE HE1 H 1 6.823 0.05 . 3 . . . . 64 PHE HE1 . 6928 1 722 . 1 1 63 63 PHE HZ H 1 7.525 0.05 . 1 . . . . 64 PHE HZ . 6928 1 723 . 1 1 63 63 PHE C C 13 174.904 0.1 . 1 . . . . 64 PHE C . 6928 1 724 . 1 1 63 63 PHE CA C 13 59.699 0.1 . 1 . . . . 64 PHE CA . 6928 1 725 . 1 1 63 63 PHE CB C 13 41.296 0.1 . 1 . . . . 64 PHE CB . 6928 1 726 . 1 1 63 63 PHE CD1 C 13 132.598 0.1 . 3 . . . . 64 PHE CD1 . 6928 1 727 . 1 1 63 63 PHE CE1 C 13 131.894 0.1 . 3 . . . . 64 PHE CE1 . 6928 1 728 . 1 1 63 63 PHE CZ C 13 129.480 0.1 . 1 . . . . 64 PHE CZ . 6928 1 729 . 1 1 63 63 PHE N N 15 123.227 0.1 . 1 . . . . 64 PHE N . 6928 1 730 . 1 1 64 64 VAL H H 1 8.362 0.05 . 1 . . . . 65 VAL HN . 6928 1 731 . 1 1 64 64 VAL HA H 1 3.632 0.05 . 1 . . . . 65 VAL HA . 6928 1 732 . 1 1 64 64 VAL HB H 1 1.913 0.05 . 1 . . . . 65 VAL HB . 6928 1 733 . 1 1 64 64 VAL HG11 H 1 0.898 0.05 . 2 . . . . 65 VAL QG1 . 6928 1 734 . 1 1 64 64 VAL HG12 H 1 0.898 0.05 . 2 . . . . 65 VAL QG1 . 6928 1 735 . 1 1 64 64 VAL HG13 H 1 0.898 0.05 . 2 . . . . 65 VAL QG1 . 6928 1 736 . 1 1 64 64 VAL HG21 H 1 0.818 0.05 . 2 . . . . 65 VAL QG2 . 6928 1 737 . 1 1 64 64 VAL HG22 H 1 0.818 0.05 . 2 . . . . 65 VAL QG2 . 6928 1 738 . 1 1 64 64 VAL HG23 H 1 0.818 0.05 . 2 . . . . 65 VAL QG2 . 6928 1 739 . 1 1 64 64 VAL C C 13 176.845 0.1 . 1 . . . . 65 VAL C . 6928 1 740 . 1 1 64 64 VAL CA C 13 65.779 0.1 . 1 . . . . 65 VAL CA . 6928 1 741 . 1 1 64 64 VAL CB C 13 32.319 0.1 . 1 . . . . 65 VAL CB . 6928 1 742 . 1 1 64 64 VAL CG1 C 13 21.705 0.1 . 2 . . . . 65 VAL CG1 . 6928 1 743 . 1 1 64 64 VAL CG2 C 13 22.437 0.1 . 2 . . . . 65 VAL CG2 . 6928 1 744 . 1 1 64 64 VAL N N 15 117.695 0.1 . 1 . . . . 65 VAL N . 6928 1 745 . 1 1 65 65 LYS H H 1 8.201 0.05 . 1 . . . . 66 LYS HN . 6928 1 746 . 1 1 65 65 LYS HA H 1 4.634 0.05 . 1 . . . . 66 LYS HA . 6928 1 747 . 1 1 65 65 LYS HB2 H 1 1.754 0.05 . 2 . . . . 66 LYS HB2 . 6928 1 748 . 1 1 65 65 LYS HB3 H 1 1.579 0.05 . 2 . . . . 66 LYS HB3 . 6928 1 749 . 1 1 65 65 LYS HG2 H 1 1.362 0.05 . 1 . . . . 66 LYS QG . 6928 1 750 . 1 1 65 65 LYS HG3 H 1 1.362 0.05 . 1 . . . . 66 LYS QG . 6928 1 751 . 1 1 65 65 LYS HD2 H 1 1.660 0.05 . 1 . . . . 66 LYS QD . 6928 1 752 . 1 1 65 65 LYS HD3 H 1 1.660 0.05 . 1 . . . . 66 LYS QD . 6928 1 753 . 1 1 65 65 LYS HE2 H 1 2.943 0.05 . 1 . . . . 66 LYS QE . 6928 1 754 . 1 1 65 65 LYS HE3 H 1 2.943 0.05 . 1 . . . . 66 LYS QE . 6928 1 755 . 1 1 65 65 LYS C C 13 174.947 0.1 . 1 . . . . 66 LYS C . 6928 1 756 . 1 1 65 65 LYS CA C 13 53.405 0.1 . 1 . . . . 66 LYS CA . 6928 1 757 . 1 1 65 65 LYS CB C 13 35.105 0.1 . 1 . . . . 66 LYS CB . 6928 1 758 . 1 1 65 65 LYS CG C 13 24.380 0.1 . 1 . . . . 66 LYS CG . 6928 1 759 . 1 1 65 65 LYS CD C 13 29.210 0.1 . 1 . . . . 66 LYS CD . 6928 1 760 . 1 1 65 65 LYS CE C 13 41.885 0.1 . 1 . . . . 66 LYS CE . 6928 1 761 . 1 1 65 65 LYS N N 15 117.003 0.1 . 1 . . . . 66 LYS N . 6928 1 762 . 1 1 66 66 LYS H H 1 8.285 0.05 . 1 . . . . 67 LYS HN . 6928 1 763 . 1 1 66 66 LYS HA H 1 3.578 0.05 . 1 . . . . 67 LYS HA . 6928 1 764 . 1 1 66 66 LYS HB2 H 1 1.629 0.05 . 2 . . . . 67 LYS HB2 . 6928 1 765 . 1 1 66 66 LYS HB3 H 1 1.317 0.05 . 2 . . . . 67 LYS HB3 . 6928 1 766 . 1 1 66 66 LYS HG2 H 1 1.629 0.05 . 2 . . . . 67 LYS HG2 . 6928 1 767 . 1 1 66 66 LYS HG3 H 1 1.233 0.05 . 2 . . . . 67 LYS HG3 . 6928 1 768 . 1 1 66 66 LYS HD2 H 1 1.608 0.05 . 1 . . . . 67 LYS QD . 6928 1 769 . 1 1 66 66 LYS HD3 H 1 1.608 0.05 . 1 . . . . 67 LYS QD . 6928 1 770 . 1 1 66 66 LYS HE2 H 1 3.026 0.05 . 1 . . . . 67 LYS QE . 6928 1 771 . 1 1 66 66 LYS HE3 H 1 3.026 0.05 . 1 . . . . 67 LYS QE . 6928 1 772 . 1 1 66 66 LYS C C 13 175.720 0.1 . 1 . . . . 67 LYS C . 6928 1 773 . 1 1 66 66 LYS CA C 13 58.415 0.1 . 1 . . . . 67 LYS CA . 6928 1 774 . 1 1 66 66 LYS CB C 13 33.311 0.1 . 1 . . . . 67 LYS CB . 6928 1 775 . 1 1 66 66 LYS CG C 13 26.382 0.1 . 1 . . . . 67 LYS CG . 6928 1 776 . 1 1 66 66 LYS CD C 13 30.049 0.1 . 1 . . . . 67 LYS CD . 6928 1 777 . 1 1 66 66 LYS CE C 13 41.841 0.1 . 1 . . . . 67 LYS CE . 6928 1 778 . 1 1 66 66 LYS N N 15 117.035 0.1 . 1 . . . . 67 LYS N . 6928 1 779 . 1 1 67 67 GLN H H 1 8.125 0.05 . 1 . . . . 68 GLN HN . 6928 1 780 . 1 1 67 67 GLN HA H 1 4.813 0.05 . 1 . . . . 68 GLN HA . 6928 1 781 . 1 1 67 67 GLN HB2 H 1 1.785 0.05 . 2 . . . . 68 GLN HB2 . 6928 1 782 . 1 1 67 67 GLN HB3 H 1 1.030 0.05 . 2 . . . . 68 GLN HB3 . 6928 1 783 . 1 1 67 67 GLN HG2 H 1 2.380 0.05 . 2 . . . . 68 GLN HG2 . 6928 1 784 . 1 1 67 67 GLN HG3 H 1 0.519 0.05 . 2 . . . . 68 GLN HG3 . 6928 1 785 . 1 1 67 67 GLN HE21 H 1 6.652 0.05 . 2 . . . . 68 GLN HE21 . 6928 1 786 . 1 1 67 67 GLN HE22 H 1 6.567 0.05 . 2 . . . . 68 GLN HE22 . 6928 1 787 . 1 1 67 67 GLN C C 13 176.566 0.1 . 1 . . . . 68 GLN C . 6928 1 788 . 1 1 67 67 GLN CA C 13 52.984 0.1 . 1 . . . . 68 GLN CA . 6928 1 789 . 1 1 67 67 GLN CB C 13 32.790 0.1 . 1 . . . . 68 GLN CB . 6928 1 790 . 1 1 67 67 GLN CG C 13 29.674 0.1 . 1 . . . . 68 GLN CG . 6928 1 791 . 1 1 67 67 GLN CD C 13 178.822 0.1 . 1 . . . . 68 GLN CD . 6928 1 792 . 1 1 67 67 GLN N N 15 119.246 0.1 . 1 . . . . 68 GLN N . 6928 1 793 . 1 1 67 67 GLN NE2 N 15 109.824 0.1 . 1 . . . . 68 GLN NE2 . 6928 1 794 . 1 1 68 68 THR H H 1 8.120 0.05 . 1 . . . . 69 THR HN . 6928 1 795 . 1 1 68 68 THR HA H 1 4.494 0.05 . 1 . . . . 69 THR HA . 6928 1 796 . 1 1 68 68 THR HB H 1 4.669 0.05 . 1 . . . . 69 THR HB . 6928 1 797 . 1 1 68 68 THR HG21 H 1 1.252 0.05 . 1 . . . . 69 THR QG2 . 6928 1 798 . 1 1 68 68 THR HG22 H 1 1.252 0.05 . 1 . . . . 69 THR QG2 . 6928 1 799 . 1 1 68 68 THR HG23 H 1 1.252 0.05 . 1 . . . . 69 THR QG2 . 6928 1 800 . 1 1 68 68 THR C C 13 174.280 0.1 . 1 . . . . 69 THR C . 6928 1 801 . 1 1 68 68 THR CA C 13 60.553 0.1 . 1 . . . . 69 THR CA . 6928 1 802 . 1 1 68 68 THR CB C 13 70.660 0.1 . 1 . . . . 69 THR CB . 6928 1 803 . 1 1 68 68 THR CG2 C 13 22.697 0.1 . 1 . . . . 69 THR CG2 . 6928 1 804 . 1 1 68 68 THR N N 15 112.054 0.1 . 1 . . . . 69 THR N . 6928 1 805 . 1 1 69 69 PHE H H 1 9.112 0.05 . 1 . . . . 70 PHE HN . 6928 1 806 . 1 1 69 69 PHE HA H 1 3.337 0.05 . 1 . . . . 70 PHE HA . 6928 1 807 . 1 1 69 69 PHE HB2 H 1 3.373 0.05 . 2 . . . . 70 PHE HB2 . 6928 1 808 . 1 1 69 69 PHE HB3 H 1 3.072 0.05 . 2 . . . . 70 PHE HB3 . 6928 1 809 . 1 1 69 69 PHE HD1 H 1 7.244 0.05 . 3 . . . . 70 PHE HD1 . 6928 1 810 . 1 1 69 69 PHE HE1 H 1 7.409 0.05 . 3 . . . . 70 PHE HE1 . 6928 1 811 . 1 1 69 69 PHE HZ H 1 7.415 0.05 . 1 . . . . 70 PHE HZ . 6928 1 812 . 1 1 69 69 PHE C C 13 176.219 0.1 . 1 . . . . 70 PHE C . 6928 1 813 . 1 1 69 69 PHE CA C 13 61.479 0.1 . 1 . . . . 70 PHE CA . 6928 1 814 . 1 1 69 69 PHE CB C 13 40.028 0.1 . 1 . . . . 70 PHE CB . 6928 1 815 . 1 1 69 69 PHE CD1 C 13 132.310 0.1 . 3 . . . . 70 PHE CD1 . 6928 1 816 . 1 1 69 69 PHE CE1 C 13 131.448 0.1 . 3 . . . . 70 PHE CE1 . 6928 1 817 . 1 1 69 69 PHE CZ C 13 130.018 0.1 . 1 . . . . 70 PHE CZ . 6928 1 818 . 1 1 69 69 PHE N N 15 122.413 0.1 . 1 . . . . 70 PHE N . 6928 1 819 . 1 1 70 70 ASN H H 1 8.526 0.05 . 1 . . . . 71 ASN HN . 6928 1 820 . 1 1 70 70 ASN HA H 1 4.144 0.05 . 1 . . . . 71 ASN HA . 6928 1 821 . 1 1 70 70 ASN HB2 H 1 2.670 0.05 . 2 . . . . 71 ASN HB2 . 6928 1 822 . 1 1 70 70 ASN HB3 H 1 2.621 0.05 . 2 . . . . 71 ASN HB3 . 6928 1 823 . 1 1 70 70 ASN HD21 H 1 7.013 0.05 . 2 . . . . 71 ASN HD21 . 6928 1 824 . 1 1 70 70 ASN C C 13 178.211 0.1 . 1 . . . . 71 ASN C . 6928 1 825 . 1 1 70 70 ASN CA C 13 55.969 0.1 . 1 . . . . 71 ASN CA . 6928 1 826 . 1 1 70 70 ASN CB C 13 37.782 0.1 . 1 . . . . 71 ASN CB . 6928 1 827 . 1 1 70 70 ASN CG C 13 176.153 0.1 . 1 . . . . 71 ASN CG . 6928 1 828 . 1 1 70 70 ASN N N 15 113.358 0.1 . 1 . . . . 71 ASN N . 6928 1 829 . 1 1 70 70 ASN ND2 N 15 112.634 0.1 . 1 . . . . 71 ASN ND2 . 6928 1 830 . 1 1 71 71 LYS H H 1 7.647 0.05 . 1 . . . . 72 LYS HN . 6928 1 831 . 1 1 71 71 LYS HA H 1 3.878 0.05 . 1 . . . . 72 LYS HA . 6928 1 832 . 1 1 71 71 LYS HB2 H 1 1.834 0.05 . 2 . . . . 72 LYS HB2 . 6928 1 833 . 1 1 71 71 LYS HB3 H 1 1.709 0.05 . 2 . . . . 72 LYS HB3 . 6928 1 834 . 1 1 71 71 LYS HG2 H 1 1.326 0.05 . 1 . . . . 72 LYS QG . 6928 1 835 . 1 1 71 71 LYS HG3 H 1 1.326 0.05 . 1 . . . . 72 LYS QG . 6928 1 836 . 1 1 71 71 LYS HD2 H 1 1.288 0.05 . 1 . . . . 72 LYS QD . 6928 1 837 . 1 1 71 71 LYS HD3 H 1 1.288 0.05 . 1 . . . . 72 LYS QD . 6928 1 838 . 1 1 71 71 LYS HE2 H 1 2.606 0.05 . 2 . . . . 72 LYS HE2 . 6928 1 839 . 1 1 71 71 LYS HE3 H 1 2.453 0.05 . 2 . . . . 72 LYS HE3 . 6928 1 840 . 1 1 71 71 LYS C C 13 177.554 0.1 . 1 . . . . 72 LYS C . 6928 1 841 . 1 1 71 71 LYS CA C 13 57.363 0.1 . 1 . . . . 72 LYS CA . 6928 1 842 . 1 1 71 71 LYS CB C 13 31.573 0.1 . 1 . . . . 72 LYS CB . 6928 1 843 . 1 1 71 71 LYS CG C 13 24.306 0.1 . 1 . . . . 72 LYS CG . 6928 1 844 . 1 1 71 71 LYS CD C 13 27.988 0.1 . 1 . . . . 72 LYS CD . 6928 1 845 . 1 1 71 71 LYS CE C 13 41.526 0.1 . 1 . . . . 72 LYS CE . 6928 1 846 . 1 1 71 71 LYS N N 15 122.807 0.1 . 1 . . . . 72 LYS N . 6928 1 847 . 1 1 72 72 VAL H H 1 7.874 0.05 . 1 . . . . 73 VAL HN . 6928 1 848 . 1 1 72 72 VAL HA H 1 3.203 0.05 . 1 . . . . 73 VAL HA . 6928 1 849 . 1 1 72 72 VAL HB H 1 1.152 0.05 . 1 . . . . 73 VAL HB . 6928 1 850 . 1 1 72 72 VAL HG11 H 1 0.313 0.05 . 2 . . . . 73 VAL QG1 . 6928 1 851 . 1 1 72 72 VAL HG12 H 1 0.313 0.05 . 2 . . . . 73 VAL QG1 . 6928 1 852 . 1 1 72 72 VAL HG13 H 1 0.313 0.05 . 2 . . . . 73 VAL QG1 . 6928 1 853 . 1 1 72 72 VAL HG21 H 1 -0.316 0.05 . 2 . . . . 73 VAL QG2 . 6928 1 854 . 1 1 72 72 VAL HG22 H 1 -0.316 0.05 . 2 . . . . 73 VAL QG2 . 6928 1 855 . 1 1 72 72 VAL HG23 H 1 -0.316 0.05 . 2 . . . . 73 VAL QG2 . 6928 1 856 . 1 1 72 72 VAL C C 13 178.067 0.1 . 1 . . . . 73 VAL C . 6928 1 857 . 1 1 72 72 VAL CA C 13 68.322 0.1 . 1 . . . . 73 VAL CA . 6928 1 858 . 1 1 72 72 VAL CB C 13 30.201 0.1 . 1 . . . . 73 VAL CB . 6928 1 859 . 1 1 72 72 VAL CG1 C 13 22.511 0.1 . 2 . . . . 73 VAL CG1 . 6928 1 860 . 1 1 72 72 VAL CG2 C 13 22.112 0.1 . 2 . . . . 73 VAL CG2 . 6928 1 861 . 1 1 72 72 VAL N N 15 119.892 0.1 . 1 . . . . 73 VAL N . 6928 1 862 . 1 1 73 73 LYS H H 1 7.520 0.05 . 1 . . . . 74 LYS HN . 6928 1 863 . 1 1 73 73 LYS HA H 1 3.397 0.05 . 1 . . . . 74 LYS HA . 6928 1 864 . 1 1 73 73 LYS HB2 H 1 1.567 0.05 . 2 . . . . 74 LYS HB2 . 6928 1 865 . 1 1 73 73 LYS HB3 H 1 1.426 0.05 . 2 . . . . 74 LYS HB3 . 6928 1 866 . 1 1 73 73 LYS HG2 H 1 1.180 0.05 . 2 . . . . 74 LYS HG2 . 6928 1 867 . 1 1 73 73 LYS HG3 H 1 0.997 0.05 . 2 . . . . 74 LYS HG3 . 6928 1 868 . 1 1 73 73 LYS HD2 H 1 1.509 0.05 . 1 . . . . 74 LYS QD . 6928 1 869 . 1 1 73 73 LYS HD3 H 1 1.509 0.05 . 1 . . . . 74 LYS QD . 6928 1 870 . 1 1 73 73 LYS HE2 H 1 2.922 0.05 . 1 . . . . 74 LYS QE . 6928 1 871 . 1 1 73 73 LYS HE3 H 1 2.922 0.05 . 1 . . . . 74 LYS QE . 6928 1 872 . 1 1 73 73 LYS C C 13 178.369 0.1 . 1 . . . . 74 LYS C . 6928 1 873 . 1 1 73 73 LYS CA C 13 58.875 0.1 . 1 . . . . 74 LYS CA . 6928 1 874 . 1 1 73 73 LYS CB C 13 32.469 0.1 . 1 . . . . 74 LYS CB . 6928 1 875 . 1 1 73 73 LYS CG C 13 24.850 0.1 . 1 . . . . 74 LYS CG . 6928 1 876 . 1 1 73 73 LYS CD C 13 29.599 0.1 . 1 . . . . 74 LYS CD . 6928 1 877 . 1 1 73 73 LYS CE C 13 42.056 0.1 . 1 . . . . 74 LYS CE . 6928 1 878 . 1 1 73 73 LYS N N 15 117.366 0.1 . 1 . . . . 74 LYS N . 6928 1 879 . 1 1 74 74 TRP H H 1 7.522 0.05 . 1 . . . . 75 TRP HN . 6928 1 880 . 1 1 74 74 TRP HA H 1 4.007 0.05 . 1 . . . . 75 TRP HA . 6928 1 881 . 1 1 74 74 TRP HB2 H 1 3.300 0.05 . 2 . . . . 75 TRP HB2 . 6928 1 882 . 1 1 74 74 TRP HB3 H 1 3.048 0.05 . 2 . . . . 75 TRP HB3 . 6928 1 883 . 1 1 74 74 TRP HD1 H 1 6.828 0.05 . 1 . . . . 75 TRP HD1 . 6928 1 884 . 1 1 74 74 TRP HE1 H 1 10.076 0.05 . 1 . . . . 75 TRP HE1 . 6928 1 885 . 1 1 74 74 TRP HE3 H 1 6.654 0.05 . 1 . . . . 75 TRP HE3 . 6928 1 886 . 1 1 74 74 TRP HZ2 H 1 7.380 0.05 . 3 . . . . 75 TRP HZ2 . 6928 1 887 . 1 1 74 74 TRP HZ3 H 1 6.843 0.05 . 3 . . . . 75 TRP HZ3 . 6928 1 888 . 1 1 74 74 TRP HH2 H 1 7.123 0.05 . 1 . . . . 75 TRP HH2 . 6928 1 889 . 1 1 74 74 TRP C C 13 178.203 0.1 . 1 . . . . 75 TRP C . 6928 1 890 . 1 1 74 74 TRP CA C 13 61.058 0.1 . 1 . . . . 75 TRP CA . 6928 1 891 . 1 1 74 74 TRP CB C 13 28.004 0.1 . 1 . . . . 75 TRP CB . 6928 1 892 . 1 1 74 74 TRP CD1 C 13 127.062 0.1 . 2 . . . . 75 TRP CD1 . 6928 1 893 . 1 1 74 74 TRP CE2 C 13 138.458 0.1 . 2 . . . . 75 TRP CE2 . 6928 1 894 . 1 1 74 74 TRP CE3 C 13 119.781 0.1 . 2 . . . . 75 TRP CE3 . 6928 1 895 . 1 1 74 74 TRP CZ2 C 13 114.729 0.1 . 3 . . . . 75 TRP CZ2 . 6928 1 896 . 1 1 74 74 TRP CZ3 C 13 122.261 0.1 . 3 . . . . 75 TRP CZ3 . 6928 1 897 . 1 1 74 74 TRP CH2 C 13 124.470 0.1 . 1 . . . . 75 TRP CH2 . 6928 1 898 . 1 1 74 74 TRP N N 15 120.935 0.1 . 1 . . . . 75 TRP N . 6928 1 899 . 1 1 74 74 TRP NE1 N 15 130.020 0.1 . 1 . . . . 75 TRP NE1 . 6928 1 900 . 1 1 75 75 TYR H H 1 8.093 0.05 . 1 . . . . 76 TYR HN . 6928 1 901 . 1 1 75 75 TYR HA H 1 3.993 0.05 . 1 . . . . 76 TYR HA . 6928 1 902 . 1 1 75 75 TYR HB2 H 1 2.875 0.05 . 1 . . . . 76 TYR QB . 6928 1 903 . 1 1 75 75 TYR HB3 H 1 2.875 0.05 . 1 . . . . 76 TYR QB . 6928 1 904 . 1 1 75 75 TYR HD1 H 1 6.883 0.05 . 3 . . . . 76 TYR HD1 . 6928 1 905 . 1 1 75 75 TYR HE1 H 1 6.617 0.05 . 3 . . . . 76 TYR HE1 . 6928 1 906 . 1 1 75 75 TYR C C 13 177.304 0.1 . 1 . . . . 76 TYR C . 6928 1 907 . 1 1 75 75 TYR CA C 13 61.225 0.1 . 1 . . . . 76 TYR CA . 6928 1 908 . 1 1 75 75 TYR CB C 13 38.723 0.1 . 1 . . . . 76 TYR CB . 6928 1 909 . 1 1 75 75 TYR CD1 C 13 132.879 0.1 . 3 . . . . 76 TYR CD1 . 6928 1 910 . 1 1 75 75 TYR CE1 C 13 118.007 0.1 . 3 . . . . 76 TYR CE1 . 6928 1 911 . 1 1 75 75 TYR N N 15 115.788 0.1 . 1 . . . . 76 TYR N . 6928 1 912 . 1 1 76 76 LEU H H 1 8.176 0.05 . 1 . . . . 77 LEU HN . 6928 1 913 . 1 1 76 76 LEU HA H 1 3.919 0.05 . 1 . . . . 77 LEU HA . 6928 1 914 . 1 1 76 76 LEU HB2 H 1 1.272 0.05 . 2 . . . . 77 LEU HB2 . 6928 1 915 . 1 1 76 76 LEU HB3 H 1 1.065 0.05 . 2 . . . . 77 LEU HB3 . 6928 1 916 . 1 1 76 76 LEU HG H 1 1.610 0.05 . 1 . . . . 77 LEU HG . 6928 1 917 . 1 1 76 76 LEU HD11 H 1 -0.076 0.05 . 2 . . . . 77 LEU QD1 . 6928 1 918 . 1 1 76 76 LEU HD12 H 1 -0.076 0.05 . 2 . . . . 77 LEU QD1 . 6928 1 919 . 1 1 76 76 LEU HD13 H 1 -0.076 0.05 . 2 . . . . 77 LEU QD1 . 6928 1 920 . 1 1 76 76 LEU HD21 H 1 0.309 0.05 . 2 . . . . 77 LEU QD2 . 6928 1 921 . 1 1 76 76 LEU HD22 H 1 0.309 0.05 . 2 . . . . 77 LEU QD2 . 6928 1 922 . 1 1 76 76 LEU HD23 H 1 0.309 0.05 . 2 . . . . 77 LEU QD2 . 6928 1 923 . 1 1 76 76 LEU C C 13 176.062 0.1 . 1 . . . . 77 LEU C . 6928 1 924 . 1 1 76 76 LEU CA C 13 56.382 0.1 . 1 . . . . 77 LEU CA . 6928 1 925 . 1 1 76 76 LEU CB C 13 42.406 0.1 . 1 . . . . 77 LEU CB . 6928 1 926 . 1 1 76 76 LEU CG C 13 26.075 0.1 . 1 . . . . 77 LEU CG . 6928 1 927 . 1 1 76 76 LEU CD1 C 13 25.610 0.1 . 2 . . . . 77 LEU CD1 . 6928 1 928 . 1 1 76 76 LEU CD2 C 13 22.212 0.1 . 2 . . . . 77 LEU CD2 . 6928 1 929 . 1 1 76 76 LEU N N 15 113.654 0.1 . 1 . . . . 77 LEU N . 6928 1 930 . 1 1 77 77 GLY H H 1 7.642 0.05 . 1 . . . . 78 GLY HN . 6928 1 931 . 1 1 77 77 GLY HA2 H 1 4.458 0.05 . 2 . . . . 78 GLY HA1 . 6928 1 932 . 1 1 77 77 GLY HA3 H 1 3.361 0.05 . 2 . . . . 78 GLY HA2 . 6928 1 933 . 1 1 77 77 GLY C C 13 174.953 0.1 . 1 . . . . 78 GLY C . 6928 1 934 . 1 1 77 77 GLY CA C 13 44.278 0.1 . 1 . . . . 78 GLY CA . 6928 1 935 . 1 1 77 77 GLY N N 15 105.327 0.1 . 1 . . . . 78 GLY N . 6928 1 936 . 1 1 78 78 ALA H H 1 8.253 0.05 . 1 . . . . 79 ALA HN . 6928 1 937 . 1 1 78 78 ALA HA H 1 3.839 0.05 . 1 . . . . 79 ALA HA . 6928 1 938 . 1 1 78 78 ALA HB1 H 1 1.411 0.05 . 1 . . . . 79 ALA QB . 6928 1 939 . 1 1 78 78 ALA HB2 H 1 1.411 0.05 . 1 . . . . 79 ALA QB . 6928 1 940 . 1 1 78 78 ALA HB3 H 1 1.411 0.05 . 1 . . . . 79 ALA QB . 6928 1 941 . 1 1 78 78 ALA C C 13 176.392 0.1 . 1 . . . . 79 ALA C . 6928 1 942 . 1 1 78 78 ALA CA C 13 54.995 0.1 . 1 . . . . 79 ALA CA . 6928 1 943 . 1 1 78 78 ALA CB C 13 19.091 0.1 . 1 . . . . 79 ALA CB . 6928 1 944 . 1 1 78 78 ALA N N 15 125.380 0.1 . 1 . . . . 79 ALA N . 6928 1 945 . 1 1 79 79 ARG H H 1 8.400 0.05 . 1 . . . . 80 ARG HN . 6928 1 946 . 1 1 79 79 ARG HA H 1 4.320 0.05 . 1 . . . . 80 ARG HA . 6928 1 947 . 1 1 79 79 ARG HB2 H 1 1.982 0.05 . 2 . . . . 80 ARG HB2 . 6928 1 948 . 1 1 79 79 ARG HB3 H 1 1.704 0.05 . 2 . . . . 80 ARG HB3 . 6928 1 949 . 1 1 79 79 ARG HG2 H 1 1.668 0.05 . 1 . . . . 80 ARG QG . 6928 1 950 . 1 1 79 79 ARG HG3 H 1 1.668 0.05 . 1 . . . . 80 ARG QG . 6928 1 951 . 1 1 79 79 ARG HD2 H 1 3.424 0.05 . 2 . . . . 80 ARG HD2 . 6928 1 952 . 1 1 79 79 ARG HD3 H 1 3.204 0.05 . 2 . . . . 80 ARG HD3 . 6928 1 953 . 1 1 79 79 ARG HE H 1 8.856 0.05 . 1 . . . . 80 ARG HE . 6928 1 954 . 1 1 79 79 ARG C C 13 177.601 0.1 . 1 . . . . 80 ARG C . 6928 1 955 . 1 1 79 79 ARG CA C 13 56.764 0.1 . 1 . . . . 80 ARG CA . 6928 1 956 . 1 1 79 79 ARG CB C 13 31.419 0.1 . 1 . . . . 80 ARG CB . 6928 1 957 . 1 1 79 79 ARG CG C 13 28.896 0.1 . 1 . . . . 80 ARG CG . 6928 1 958 . 1 1 79 79 ARG CZ C 13 160.068 0.1 . 1 . . . . 80 ARG CZ . 6928 1 959 . 1 1 79 79 ARG N N 15 114.112 0.1 . 1 . . . . 80 ARG N . 6928 1 960 . 1 1 79 79 ARG NE N 15 83.842 0.1 . 1 . . . . 80 ARG NE . 6928 1 961 . 1 1 80 80 CYS H H 1 7.561 0.05 . 1 . . . . 81 CYS HN . 6928 1 962 . 1 1 80 80 CYS HA H 1 4.453 0.05 . 1 . . . . 81 CYS HA . 6928 1 963 . 1 1 80 80 CYS HB2 H 1 2.776 0.05 . 2 . . . . 81 CYS HB2 . 6928 1 964 . 1 1 80 80 CYS HB3 H 1 2.524 0.05 . 2 . . . . 81 CYS HB3 . 6928 1 965 . 1 1 80 80 CYS C C 13 174.890 0.1 . 1 . . . . 81 CYS C . 6928 1 966 . 1 1 80 80 CYS CA C 13 60.687 0.1 . 1 . . . . 81 CYS CA . 6928 1 967 . 1 1 80 80 CYS CB C 13 27.193 0.1 . 1 . . . . 81 CYS CB . 6928 1 968 . 1 1 80 80 CYS N N 15 117.900 0.1 . 1 . . . . 81 CYS N . 6928 1 969 . 1 1 81 81 HIS H H 1 9.075 0.05 . 1 . . . . 82 HIS HN . 6928 1 970 . 1 1 81 81 HIS HA H 1 4.952 0.05 . 1 . . . . 82 HIS HA . 6928 1 971 . 1 1 81 81 HIS HB2 H 1 3.330 0.05 . 2 . . . . 82 HIS HB2 . 6928 1 972 . 1 1 81 81 HIS HB3 H 1 3.090 0.05 . 2 . . . . 82 HIS HB3 . 6928 1 973 . 1 1 81 81 HIS HD2 H 1 7.026 0.05 . 1 . . . . 82 HIS HD2 . 6928 1 974 . 1 1 81 81 HIS HE1 H 1 7.968 0.05 . 1 . . . . 82 HIS HE1 . 6928 1 975 . 1 1 81 81 HIS C C 13 175.357 0.1 . 1 . . . . 82 HIS C . 6928 1 976 . 1 1 81 81 HIS CA C 13 56.294 0.1 . 1 . . . . 82 HIS CA . 6928 1 977 . 1 1 81 81 HIS CB C 13 30.944 0.1 . 1 . . . . 82 HIS CB . 6928 1 978 . 1 1 81 81 HIS CD2 C 13 118.715 0.1 . 1 . . . . 82 HIS CD2 . 6928 1 979 . 1 1 81 81 HIS CE1 C 13 138.540 0.1 . 1 . . . . 82 HIS CE1 . 6928 1 980 . 1 1 81 81 HIS N N 15 124.219 0.1 . 1 . . . . 82 HIS N . 6928 1 981 . 1 1 81 81 HIS ND1 N 15 220.249 0.1 . 1 . . . . 82 HIS ND1 . 6928 1 982 . 1 1 81 81 HIS NE2 N 15 175.622 0.1 . 1 . . . . 82 HIS NE2 . 6928 1 983 . 1 1 82 82 ILE H H 1 8.218 0.05 . 1 . . . . 83 ILE HN . 6928 1 984 . 1 1 82 82 ILE HA H 1 5.410 0.05 . 1 . . . . 83 ILE HA . 6928 1 985 . 1 1 82 82 ILE HB H 1 1.736 0.05 . 1 . . . . 83 ILE HB . 6928 1 986 . 1 1 82 82 ILE HG12 H 1 1.351 0.05 . 9 . . . . 83 ILE HG12 . 6928 1 987 . 1 1 82 82 ILE HG13 H 1 0.589 0.05 . 9 . . . . 83 ILE HG13 . 6928 1 988 . 1 1 82 82 ILE HG21 H 1 0.746 0.05 . 1 . . . . 83 ILE QG2 . 6928 1 989 . 1 1 82 82 ILE HG22 H 1 0.746 0.05 . 1 . . . . 83 ILE QG2 . 6928 1 990 . 1 1 82 82 ILE HG23 H 1 0.746 0.05 . 1 . . . . 83 ILE QG2 . 6928 1 991 . 1 1 82 82 ILE HD11 H 1 0.000 0.05 . 1 . . . . 83 ILE QD1 . 6928 1 992 . 1 1 82 82 ILE HD12 H 1 0.000 0.05 . 1 . . . . 83 ILE QD1 . 6928 1 993 . 1 1 82 82 ILE HD13 H 1 0.000 0.05 . 1 . . . . 83 ILE QD1 . 6928 1 994 . 1 1 82 82 ILE C C 13 174.520 0.1 . 1 . . . . 83 ILE C . 6928 1 995 . 1 1 82 82 ILE CA C 13 59.840 0.1 . 1 . . . . 83 ILE CA . 6928 1 996 . 1 1 82 82 ILE CB C 13 41.766 0.1 . 1 . . . . 83 ILE CB . 6928 1 997 . 1 1 82 82 ILE CG1 C 13 27.395 0.1 . 1 . . . . 83 ILE CG1 . 6928 1 998 . 1 1 82 82 ILE CG2 C 13 18.930 0.1 . 1 . . . . 83 ILE CG2 . 6928 1 999 . 1 1 82 82 ILE CD1 C 13 14.730 0.1 . 1 . . . . 83 ILE CD1 . 6928 1 1000 . 1 1 82 82 ILE N N 15 124.394 0.1 . 1 . . . . 83 ILE N . 6928 1 1001 . 1 1 83 83 GLU H H 1 9.037 0.05 . 1 . . . . 84 GLU HN . 6928 1 1002 . 1 1 83 83 GLU HA H 1 4.976 0.05 . 1 . . . . 84 GLU HA . 6928 1 1003 . 1 1 83 83 GLU HB2 H 1 2.195 0.05 . 2 . . . . 84 GLU HB2 . 6928 1 1004 . 1 1 83 83 GLU HB3 H 1 2.003 0.05 . 2 . . . . 84 GLU HB3 . 6928 1 1005 . 1 1 83 83 GLU HG2 H 1 2.250 0.05 . 1 . . . . 84 GLU QG . 6928 1 1006 . 1 1 83 83 GLU HG3 H 1 2.250 0.05 . 1 . . . . 84 GLU QG . 6928 1 1007 . 1 1 83 83 GLU C C 13 174.556 0.1 . 1 . . . . 84 GLU C . 6928 1 1008 . 1 1 83 83 GLU CA C 13 54.900 0.1 . 1 . . . . 84 GLU CA . 6928 1 1009 . 1 1 83 83 GLU CB C 13 34.493 0.1 . 1 . . . . 84 GLU CB . 6928 1 1010 . 1 1 83 83 GLU CG C 13 36.166 0.1 . 1 . . . . 84 GLU CG . 6928 1 1011 . 1 1 83 83 GLU N N 15 120.728 0.1 . 1 . . . . 84 GLU N . 6928 1 1012 . 1 1 84 84 LYS H H 1 8.849 0.05 . 1 . . . . 85 LYS HN . 6928 1 1013 . 1 1 84 84 LYS HA H 1 3.675 0.05 . 1 . . . . 85 LYS HA . 6928 1 1014 . 1 1 84 84 LYS HB2 H 1 1.226 0.05 . 1 . . . . 85 LYS QB . 6928 1 1015 . 1 1 84 84 LYS HB3 H 1 1.226 0.05 . 1 . . . . 85 LYS QB . 6928 1 1016 . 1 1 84 84 LYS HG2 H 1 0.857 0.05 . 2 . . . . 85 LYS HG2 . 6928 1 1017 . 1 1 84 84 LYS HG3 H 1 0.603 0.05 . 2 . . . . 85 LYS HG3 . 6928 1 1018 . 1 1 84 84 LYS HD2 H 1 0.911 0.05 . 1 . . . . 85 LYS QD . 6928 1 1019 . 1 1 84 84 LYS HD3 H 1 0.911 0.05 . 1 . . . . 85 LYS QD . 6928 1 1020 . 1 1 84 84 LYS HE2 H 1 2.640 0.05 . 1 . . . . 85 LYS QE . 6928 1 1021 . 1 1 84 84 LYS HE3 H 1 2.640 0.05 . 1 . . . . 85 LYS QE . 6928 1 1022 . 1 1 84 84 LYS C C 13 176.607 0.1 . 1 . . . . 85 LYS C . 6928 1 1023 . 1 1 84 84 LYS CA C 13 57.829 0.1 . 1 . . . . 85 LYS CA . 6928 1 1024 . 1 1 84 84 LYS CB C 13 32.086 0.1 . 1 . . . . 85 LYS CB . 6928 1 1025 . 1 1 84 84 LYS CG C 13 24.837 0.1 . 1 . . . . 85 LYS CG . 6928 1 1026 . 1 1 84 84 LYS CD C 13 29.076 0.1 . 1 . . . . 85 LYS CD . 6928 1 1027 . 1 1 84 84 LYS CE C 13 41.784 0.1 . 1 . . . . 85 LYS CE . 6928 1 1028 . 1 1 84 84 LYS N N 15 123.908 0.1 . 1 . . . . 85 LYS N . 6928 1 1029 . 1 1 85 85 ALA H H 1 8.019 0.05 . 1 . . . . 86 ALA HN . 6928 1 1030 . 1 1 85 85 ALA HA H 1 4.348 0.05 . 1 . . . . 86 ALA HA . 6928 1 1031 . 1 1 85 85 ALA HB1 H 1 1.398 0.05 . 1 . . . . 86 ALA QB . 6928 1 1032 . 1 1 85 85 ALA HB2 H 1 1.398 0.05 . 1 . . . . 86 ALA QB . 6928 1 1033 . 1 1 85 85 ALA HB3 H 1 1.398 0.05 . 1 . . . . 86 ALA QB . 6928 1 1034 . 1 1 85 85 ALA C C 13 176.616 0.1 . 1 . . . . 86 ALA C . 6928 1 1035 . 1 1 85 85 ALA CA C 13 52.456 0.1 . 1 . . . . 86 ALA CA . 6928 1 1036 . 1 1 85 85 ALA CB C 13 21.539 0.1 . 1 . . . . 86 ALA CB . 6928 1 1037 . 1 1 85 85 ALA N N 15 125.489 0.1 . 1 . . . . 86 ALA N . 6928 1 1038 . 1 1 86 86 LYS H H 1 8.921 0.05 . 1 . . . . 87 LYS HN . 6928 1 1039 . 1 1 86 86 LYS HA H 1 4.600 0.05 . 1 . . . . 87 LYS HA . 6928 1 1040 . 1 1 86 86 LYS HB2 H 1 1.781 0.05 . 2 . . . . 87 LYS HB2 . 6928 1 1041 . 1 1 86 86 LYS HB3 H 1 1.648 0.05 . 2 . . . . 87 LYS HB3 . 6928 1 1042 . 1 1 86 86 LYS HG2 H 1 1.390 0.05 . 1 . . . . 87 LYS QG . 6928 1 1043 . 1 1 86 86 LYS HG3 H 1 1.390 0.05 . 1 . . . . 87 LYS QG . 6928 1 1044 . 1 1 86 86 LYS HD2 H 1 1.641 0.05 . 1 . . . . 87 LYS QD . 6928 1 1045 . 1 1 86 86 LYS HD3 H 1 1.641 0.05 . 1 . . . . 87 LYS QD . 6928 1 1046 . 1 1 86 86 LYS HE2 H 1 2.956 0.05 . 1 . . . . 87 LYS QE . 6928 1 1047 . 1 1 86 86 LYS HE3 H 1 2.956 0.05 . 1 . . . . 87 LYS QE . 6928 1 1048 . 1 1 86 86 LYS C C 13 176.671 0.1 . 1 . . . . 87 LYS C . 6928 1 1049 . 1 1 86 86 LYS CA C 13 55.288 0.1 . 1 . . . . 87 LYS CA . 6928 1 1050 . 1 1 86 86 LYS CB C 13 35.347 0.1 . 1 . . . . 87 LYS CB . 6928 1 1051 . 1 1 86 86 LYS CG C 13 24.830 0.1 . 1 . . . . 87 LYS CG . 6928 1 1052 . 1 1 86 86 LYS CD C 13 29.079 0.1 . 1 . . . . 87 LYS CD . 6928 1 1053 . 1 1 86 86 LYS CE C 13 41.825 0.1 . 1 . . . . 87 LYS CE . 6928 1 1054 . 1 1 86 86 LYS N N 15 120.834 0.1 . 1 . . . . 87 LYS N . 6928 1 1055 . 1 1 87 87 GLY H H 1 8.484 0.05 . 1 . . . . 88 GLY HN . 6928 1 1056 . 1 1 87 87 GLY HA2 H 1 4.146 0.05 . 2 . . . . 88 GLY HA1 . 6928 1 1057 . 1 1 87 87 GLY HA3 H 1 3.950 0.05 . 2 . . . . 88 GLY HA2 . 6928 1 1058 . 1 1 87 87 GLY C C 13 174.648 0.1 . 1 . . . . 88 GLY C . 6928 1 1059 . 1 1 87 87 GLY CA C 13 44.148 0.1 . 1 . . . . 88 GLY CA . 6928 1 1060 . 1 1 87 87 GLY N N 15 108.468 0.1 . 1 . . . . 88 GLY N . 6928 1 1061 . 1 1 88 88 THR H H 1 8.546 0.05 . 1 . . . . 89 THR HN . 6928 1 1062 . 1 1 88 88 THR HA H 1 4.373 0.05 . 1 . . . . 89 THR HA . 6928 1 1063 . 1 1 88 88 THR HB H 1 4.798 0.05 . 1 . . . . 89 THR HB . 6928 1 1064 . 1 1 88 88 THR HG21 H 1 1.262 0.05 . 1 . . . . 89 THR QG2 . 6928 1 1065 . 1 1 88 88 THR HG22 H 1 1.262 0.05 . 1 . . . . 89 THR QG2 . 6928 1 1066 . 1 1 88 88 THR HG23 H 1 1.262 0.05 . 1 . . . . 89 THR QG2 . 6928 1 1067 . 1 1 88 88 THR C C 13 176.997 0.1 . 1 . . . . 89 THR C . 6928 1 1068 . 1 1 88 88 THR CA C 13 61.035 0.1 . 1 . . . . 89 THR CA . 6928 1 1069 . 1 1 88 88 THR CB C 13 71.310 0.1 . 1 . . . . 89 THR CB . 6928 1 1070 . 1 1 88 88 THR CG2 C 13 21.837 0.1 . 1 . . . . 89 THR CG2 . 6928 1 1071 . 1 1 88 88 THR N N 15 110.054 0.1 . 1 . . . . 89 THR N . 6928 1 1072 . 1 1 89 89 ASP H H 1 9.714 0.05 . 1 . . . . 90 ASP HN . 6928 1 1073 . 1 1 89 89 ASP HA H 1 3.885 0.05 . 1 . . . . 90 ASP HA . 6928 1 1074 . 1 1 89 89 ASP HB2 H 1 2.940 0.05 . 2 . . . . 90 ASP HB2 . 6928 1 1075 . 1 1 89 89 ASP HB3 H 1 2.446 0.05 . 2 . . . . 90 ASP HB3 . 6928 1 1076 . 1 1 89 89 ASP C C 13 178.120 0.1 . 1 . . . . 90 ASP C . 6928 1 1077 . 1 1 89 89 ASP CA C 13 58.467 0.1 . 1 . . . . 90 ASP CA . 6928 1 1078 . 1 1 89 89 ASP CB C 13 40.608 0.1 . 1 . . . . 90 ASP CB . 6928 1 1079 . 1 1 89 89 ASP N N 15 125.799 0.1 . 1 . . . . 90 ASP N . 6928 1 1080 . 1 1 90 90 GLN H H 1 8.484 0.05 . 1 . . . . 91 GLN HN . 6928 1 1081 . 1 1 90 90 GLN HA H 1 3.656 0.05 . 1 . . . . 91 GLN HA . 6928 1 1082 . 1 1 90 90 GLN HB2 H 1 2.048 0.05 . 2 . . . . 91 GLN HB2 . 6928 1 1083 . 1 1 90 90 GLN HB3 H 1 1.783 0.05 . 2 . . . . 91 GLN HB3 . 6928 1 1084 . 1 1 90 90 GLN HG2 H 1 2.351 0.05 . 2 . . . . 91 GLN HG2 . 6928 1 1085 . 1 1 90 90 GLN HG3 H 1 2.172 0.05 . 2 . . . . 91 GLN HG3 . 6928 1 1086 . 1 1 90 90 GLN HE21 H 1 7.892 0.05 . 2 . . . . 91 GLN HE21 . 6928 1 1087 . 1 1 90 90 GLN HE22 H 1 6.658 0.05 . 2 . . . . 91 GLN HE22 . 6928 1 1088 . 1 1 90 90 GLN C C 13 177.698 0.1 . 1 . . . . 91 GLN C . 6928 1 1089 . 1 1 90 90 GLN CA C 13 59.053 0.1 . 1 . . . . 91 GLN CA . 6928 1 1090 . 1 1 90 90 GLN CB C 13 27.456 0.1 . 1 . . . . 91 GLN CB . 6928 1 1091 . 1 1 90 90 GLN CG C 13 32.891 0.1 . 1 . . . . 91 GLN CG . 6928 1 1092 . 1 1 90 90 GLN CD C 13 179.324 0.1 . 1 . . . . 91 GLN CD . 6928 1 1093 . 1 1 90 90 GLN N N 15 118.485 0.1 . 1 . . . . 91 GLN N . 6928 1 1094 . 1 1 90 90 GLN NE2 N 15 112.017 0.1 . 1 . . . . 91 GLN NE2 . 6928 1 1095 . 1 1 91 91 GLN H H 1 7.920 0.05 . 1 . . . . 92 GLN HN . 6928 1 1096 . 1 1 91 91 GLN HA H 1 3.911 0.05 . 1 . . . . 92 GLN HA . 6928 1 1097 . 1 1 91 91 GLN HB2 H 1 2.125 0.05 . 2 . . . . 92 GLN HB2 . 6928 1 1098 . 1 1 91 91 GLN HB3 H 1 1.853 0.05 . 2 . . . . 92 GLN HB3 . 6928 1 1099 . 1 1 91 91 GLN HG2 H 1 2.345 0.05 . 1 . . . . 92 GLN QG . 6928 1 1100 . 1 1 91 91 GLN HG3 H 1 2.345 0.05 . 1 . . . . 92 GLN QG . 6928 1 1101 . 1 1 91 91 GLN HE21 H 1 7.561 0.05 . 2 . . . . 92 GLN HE21 . 6928 1 1102 . 1 1 91 91 GLN HE22 H 1 6.761 0.05 . 2 . . . . 92 GLN HE22 . 6928 1 1103 . 1 1 91 91 GLN C C 13 179.325 0.1 . 1 . . . . 92 GLN C . 6928 1 1104 . 1 1 91 91 GLN CA C 13 59.054 0.1 . 1 . . . . 92 GLN CA . 6928 1 1105 . 1 1 91 91 GLN CB C 13 28.308 0.1 . 1 . . . . 92 GLN CB . 6928 1 1106 . 1 1 91 91 GLN CG C 13 34.777 0.1 . 1 . . . . 92 GLN CG . 6928 1 1107 . 1 1 91 91 GLN CD C 13 180.485 0.1 . 1 . . . . 92 GLN CD . 6928 1 1108 . 1 1 91 91 GLN N N 15 119.425 0.1 . 1 . . . . 92 GLN N . 6928 1 1109 . 1 1 91 91 GLN NE2 N 15 111.910 0.1 . 1 . . . . 92 GLN NE2 . 6928 1 1110 . 1 1 92 92 ASN H H 1 7.533 0.05 . 1 . . . . 93 ASN HN . 6928 1 1111 . 1 1 92 92 ASN HA H 1 4.273 0.05 . 1 . . . . 93 ASN HA . 6928 1 1112 . 1 1 92 92 ASN HB2 H 1 1.620 0.05 . 2 . . . . 93 ASN HB2 . 6928 1 1113 . 1 1 92 92 ASN HB3 H 1 1.583 0.05 . 2 . . . . 93 ASN HB3 . 6928 1 1114 . 1 1 92 92 ASN HD21 H 1 6.964 0.05 . 2 . . . . 93 ASN HD21 . 6928 1 1115 . 1 1 92 92 ASN HD22 H 1 6.398 0.05 . 2 . . . . 93 ASN HD22 . 6928 1 1116 . 1 1 92 92 ASN C C 13 176.770 0.1 . 1 . . . . 93 ASN C . 6928 1 1117 . 1 1 92 92 ASN CA C 13 57.467 0.1 . 1 . . . . 93 ASN CA . 6928 1 1118 . 1 1 92 92 ASN CB C 13 39.593 0.1 . 1 . . . . 93 ASN CB . 6928 1 1119 . 1 1 92 92 ASN CG C 13 176.126 0.1 . 1 . . . . 93 ASN CG . 6928 1 1120 . 1 1 92 92 ASN N N 15 118.306 0.1 . 1 . . . . 93 ASN N . 6928 1 1121 . 1 1 92 92 ASN ND2 N 15 112.481 0.1 . 1 . . . . 93 ASN ND2 . 6928 1 1122 . 1 1 93 93 LYS H H 1 8.670 0.05 . 1 . . . . 94 LYS HN . 6928 1 1123 . 1 1 93 93 LYS HA H 1 4.030 0.05 . 1 . . . . 94 LYS HA . 6928 1 1124 . 1 1 93 93 LYS HB2 H 1 2.042 0.05 . 1 . . . . 94 LYS QB . 6928 1 1125 . 1 1 93 93 LYS HB3 H 1 2.042 0.05 . 1 . . . . 94 LYS QB . 6928 1 1126 . 1 1 93 93 LYS HG2 H 1 1.473 0.05 . 2 . . . . 94 LYS HG2 . 6928 1 1127 . 1 1 93 93 LYS HG3 H 1 0.936 0.05 . 2 . . . . 94 LYS HG3 . 6928 1 1128 . 1 1 93 93 LYS HD2 H 1 1.476 0.05 . 1 . . . . 94 LYS QD . 6928 1 1129 . 1 1 93 93 LYS HD3 H 1 1.476 0.05 . 1 . . . . 94 LYS QD . 6928 1 1130 . 1 1 93 93 LYS HE2 H 1 2.945 0.05 . 1 . . . . 94 LYS QE . 6928 1 1131 . 1 1 93 93 LYS HE3 H 1 2.945 0.05 . 1 . . . . 94 LYS QE . 6928 1 1132 . 1 1 93 93 LYS C C 13 179.402 0.1 . 1 . . . . 94 LYS C . 6928 1 1133 . 1 1 93 93 LYS CA C 13 60.144 0.1 . 1 . . . . 94 LYS CA . 6928 1 1134 . 1 1 93 93 LYS CB C 13 32.267 0.1 . 1 . . . . 94 LYS CB . 6928 1 1135 . 1 1 93 93 LYS CG C 13 25.162 0.1 . 1 . . . . 94 LYS CG . 6928 1 1136 . 1 1 93 93 LYS CD C 13 29.803 0.1 . 1 . . . . 94 LYS CD . 6928 1 1137 . 1 1 93 93 LYS CE C 13 42.125 0.1 . 1 . . . . 94 LYS CE . 6928 1 1138 . 1 1 93 93 LYS N N 15 123.090 0.1 . 1 . . . . 94 LYS N . 6928 1 1139 . 1 1 94 94 GLU H H 1 8.116 0.05 . 1 . . . . 95 GLU HN . 6928 1 1140 . 1 1 94 94 GLU HA H 1 3.792 0.05 . 1 . . . . 95 GLU HA . 6928 1 1141 . 1 1 94 94 GLU HB2 H 1 2.073 0.05 . 2 . . . . 95 GLU HB2 . 6928 1 1142 . 1 1 94 94 GLU HB3 H 1 1.994 0.05 . 2 . . . . 95 GLU HB3 . 6928 1 1143 . 1 1 94 94 GLU HG2 H 1 2.353 0.05 . 2 . . . . 95 GLU HG2 . 6928 1 1144 . 1 1 94 94 GLU HG3 H 1 2.241 0.05 . 2 . . . . 95 GLU HG3 . 6928 1 1145 . 1 1 94 94 GLU C C 13 179.108 0.1 . 1 . . . . 95 GLU C . 6928 1 1146 . 1 1 94 94 GLU CA C 13 59.580 0.1 . 1 . . . . 95 GLU CA . 6928 1 1147 . 1 1 94 94 GLU CB C 13 28.886 0.1 . 1 . . . . 95 GLU CB . 6928 1 1148 . 1 1 94 94 GLU CG C 13 36.327 0.1 . 1 . . . . 95 GLU CG . 6928 1 1149 . 1 1 94 94 GLU N N 15 120.054 0.1 . 1 . . . . 95 GLU N . 6928 1 1150 . 1 1 95 95 TYR H H 1 7.979 0.05 . 1 . . . . 96 TYR HN . 6928 1 1151 . 1 1 95 95 TYR HA H 1 4.324 0.05 . 1 . . . . 96 TYR HA . 6928 1 1152 . 1 1 95 95 TYR HB2 H 1 3.210 0.05 . 2 . . . . 96 TYR HB2 . 6928 1 1153 . 1 1 95 95 TYR HB3 H 1 3.079 0.05 . 2 . . . . 96 TYR HB3 . 6928 1 1154 . 1 1 95 95 TYR HD1 H 1 7.164 0.05 . 3 . . . . 96 TYR HD1 . 6928 1 1155 . 1 1 95 95 TYR HE1 H 1 6.769 0.05 . 3 . . . . 96 TYR HE1 . 6928 1 1156 . 1 1 95 95 TYR C C 13 178.695 0.1 . 1 . . . . 96 TYR C . 6928 1 1157 . 1 1 95 95 TYR CA C 13 61.603 0.1 . 1 . . . . 96 TYR CA . 6928 1 1158 . 1 1 95 95 TYR CB C 13 38.637 0.1 . 1 . . . . 96 TYR CB . 6928 1 1159 . 1 1 95 95 TYR CD1 C 13 133.297 0.1 . 3 . . . . 96 TYR CD1 . 6928 1 1160 . 1 1 95 95 TYR CE1 C 13 118.043 0.1 . 3 . . . . 96 TYR CE1 . 6928 1 1161 . 1 1 95 95 TYR N N 15 119.499 0.1 . 1 . . . . 96 TYR N . 6928 1 1162 . 1 1 96 96 CYS H H 1 8.212 0.05 . 1 . . . . 97 CYS HN . 6928 1 1163 . 1 1 96 96 CYS HA H 1 3.920 0.05 . 1 . . . . 97 CYS HA . 6928 1 1164 . 1 1 96 96 CYS HB2 H 1 2.776 0.05 . 2 . . . . 97 CYS HB2 . 6928 1 1165 . 1 1 96 96 CYS HB3 H 1 2.642 0.05 . 2 . . . . 97 CYS HB3 . 6928 1 1166 . 1 1 96 96 CYS C C 13 175.650 0.1 . 1 . . . . 97 CYS C . 6928 1 1167 . 1 1 96 96 CYS CA C 13 62.706 0.1 . 1 . . . . 97 CYS CA . 6928 1 1168 . 1 1 96 96 CYS CB C 13 28.198 0.1 . 1 . . . . 97 CYS CB . 6928 1 1169 . 1 1 96 96 CYS N N 15 113.550 0.1 . 1 . . . . 97 CYS N . 6928 1 1170 . 1 1 97 97 SER H H 1 7.594 0.05 . 1 . . . . 98 SER HN . 6928 1 1171 . 1 1 97 97 SER HA H 1 4.487 0.05 . 1 . . . . 98 SER HA . 6928 1 1172 . 1 1 97 97 SER HB2 H 1 3.860 0.05 . 1 . . . . 98 SER QB . 6928 1 1173 . 1 1 97 97 SER HB3 H 1 3.860 0.05 . 1 . . . . 98 SER QB . 6928 1 1174 . 1 1 97 97 SER C C 13 175.925 0.1 . 1 . . . . 98 SER C . 6928 1 1175 . 1 1 97 97 SER CA C 13 58.469 0.1 . 1 . . . . 98 SER CA . 6928 1 1176 . 1 1 97 97 SER CB C 13 64.093 0.1 . 1 . . . . 98 SER CB . 6928 1 1177 . 1 1 97 97 SER N N 15 111.684 0.1 . 1 . . . . 98 SER N . 6928 1 1178 . 1 1 98 98 LYS H H 1 6.993 0.05 . 1 . . . . 99 LYS HN . 6928 1 1179 . 1 1 98 98 LYS HA H 1 4.172 0.05 . 1 . . . . 99 LYS HA . 6928 1 1180 . 1 1 98 98 LYS HB2 H 1 1.915 0.05 . 2 . . . . 99 LYS HB2 . 6928 1 1181 . 1 1 98 98 LYS HB3 H 1 1.688 0.05 . 2 . . . . 99 LYS HB3 . 6928 1 1182 . 1 1 98 98 LYS HG2 H 1 1.443 0.05 . 2 . . . . 99 LYS HG2 . 6928 1 1183 . 1 1 98 98 LYS HG3 H 1 1.158 0.05 . 2 . . . . 99 LYS HG3 . 6928 1 1184 . 1 1 98 98 LYS HD2 H 1 1.700 0.05 . 2 . . . . 99 LYS HD2 . 6928 1 1185 . 1 1 98 98 LYS HD3 H 1 1.394 0.05 . 2 . . . . 99 LYS HD3 . 6928 1 1186 . 1 1 98 98 LYS HE2 H 1 2.815 0.05 . 1 . . . . 99 LYS QE . 6928 1 1187 . 1 1 98 98 LYS HE3 H 1 2.815 0.05 . 1 . . . . 99 LYS QE . 6928 1 1188 . 1 1 98 98 LYS C C 13 176.925 0.1 . 1 . . . . 99 LYS C . 6928 1 1189 . 1 1 98 98 LYS CA C 13 59.528 0.1 . 1 . . . . 99 LYS CA . 6928 1 1190 . 1 1 98 98 LYS CB C 13 32.279 0.1 . 1 . . . . 99 LYS CB . 6928 1 1191 . 1 1 98 98 LYS CG C 13 23.349 0.1 . 1 . . . . 99 LYS CG . 6928 1 1192 . 1 1 98 98 LYS CD C 13 30.032 0.1 . 1 . . . . 99 LYS CD . 6928 1 1193 . 1 1 98 98 LYS CE C 13 41.935 0.1 . 1 . . . . 99 LYS CE . 6928 1 1194 . 1 1 98 98 LYS N N 15 123.207 0.1 . 1 . . . . 99 LYS N . 6928 1 1195 . 1 1 99 99 GLU H H 1 8.777 0.05 . 1 . . . . 100 GLU HN . 6928 1 1196 . 1 1 99 99 GLU HA H 1 4.515 0.05 . 1 . . . . 100 GLU HA . 6928 1 1197 . 1 1 99 99 GLU HB2 H 1 2.370 0.05 . 2 . . . . 100 GLU HB2 . 6928 1 1198 . 1 1 99 99 GLU HB3 H 1 1.835 0.05 . 2 . . . . 100 GLU HB3 . 6928 1 1199 . 1 1 99 99 GLU HG2 H 1 2.213 0.05 . 2 . . . . 100 GLU HG2 . 6928 1 1200 . 1 1 99 99 GLU HG3 H 1 2.126 0.05 . 2 . . . . 100 GLU HG3 . 6928 1 1201 . 1 1 99 99 GLU C C 13 177.704 0.1 . 1 . . . . 100 GLU C . 6928 1 1202 . 1 1 99 99 GLU CA C 13 56.711 0.1 . 1 . . . . 100 GLU CA . 6928 1 1203 . 1 1 99 99 GLU CB C 13 29.458 0.1 . 1 . . . . 100 GLU CB . 6928 1 1204 . 1 1 99 99 GLU CG C 13 37.237 0.1 . 1 . . . . 100 GLU CG . 6928 1 1205 . 1 1 99 99 GLU N N 15 118.799 0.1 . 1 . . . . 100 GLU N . 6928 1 1206 . 1 1 100 100 GLY H H 1 7.893 0.05 . 1 . . . . 101 GLY HN . 6928 1 1207 . 1 1 100 100 GLY HA2 H 1 3.945 0.05 . 2 . . . . 101 GLY HA1 . 6928 1 1208 . 1 1 100 100 GLY HA3 H 1 3.754 0.05 . 2 . . . . 101 GLY HA2 . 6928 1 1209 . 1 1 100 100 GLY C C 13 173.435 0.1 . 1 . . . . 101 GLY C . 6928 1 1210 . 1 1 100 100 GLY CA C 13 46.679 0.1 . 1 . . . . 101 GLY CA . 6928 1 1211 . 1 1 100 100 GLY N N 15 105.695 0.1 . 1 . . . . 101 GLY N . 6928 1 1212 . 1 1 101 101 ASN H H 1 9.070 0.05 . 1 . . . . 102 ASN HN . 6928 1 1213 . 1 1 101 101 ASN HA H 1 5.023 0.05 . 1 . . . . 102 ASN HA . 6928 1 1214 . 1 1 101 101 ASN HB2 H 1 3.019 0.05 . 2 . . . . 102 ASN HB2 . 6928 1 1215 . 1 1 101 101 ASN HB3 H 1 2.620 0.05 . 2 . . . . 102 ASN HB3 . 6928 1 1216 . 1 1 101 101 ASN HD21 H 1 7.333 0.05 . 2 . . . . 102 ASN HD21 . 6928 1 1217 . 1 1 101 101 ASN HD22 H 1 6.831 0.05 . 2 . . . . 102 ASN HD22 . 6928 1 1218 . 1 1 101 101 ASN C C 13 173.752 0.1 . 1 . . . . 102 ASN C . 6928 1 1219 . 1 1 101 101 ASN CA C 13 51.315 0.1 . 1 . . . . 102 ASN CA . 6928 1 1220 . 1 1 101 101 ASN CB C 13 38.786 0.1 . 1 . . . . 102 ASN CB . 6928 1 1221 . 1 1 101 101 ASN CG C 13 177.432 0.1 . 1 . . . . 102 ASN CG . 6928 1 1222 . 1 1 101 101 ASN N N 15 121.307 0.1 . 1 . . . . 102 ASN N . 6928 1 1223 . 1 1 101 101 ASN ND2 N 15 111.991 0.1 . 1 . . . . 102 ASN ND2 . 6928 1 1224 . 1 1 102 102 LEU H H 1 8.502 0.05 . 1 . . . . 103 LEU HN . 6928 1 1225 . 1 1 102 102 LEU HA H 1 4.446 0.05 . 1 . . . . 103 LEU HA . 6928 1 1226 . 1 1 102 102 LEU HB2 H 1 1.720 0.05 . 2 . . . . 103 LEU HB2 . 6928 1 1227 . 1 1 102 102 LEU HB3 H 1 1.182 0.05 . 2 . . . . 103 LEU HB3 . 6928 1 1228 . 1 1 102 102 LEU HG H 1 1.581 0.05 . 1 . . . . 103 LEU HG . 6928 1 1229 . 1 1 102 102 LEU HD11 H 1 0.841 0.05 . 2 . . . . 103 LEU QD1 . 6928 1 1230 . 1 1 102 102 LEU HD12 H 1 0.841 0.05 . 2 . . . . 103 LEU QD1 . 6928 1 1231 . 1 1 102 102 LEU HD13 H 1 0.841 0.05 . 2 . . . . 103 LEU QD1 . 6928 1 1232 . 1 1 102 102 LEU HD21 H 1 0.734 0.05 . 2 . . . . 103 LEU QD2 . 6928 1 1233 . 1 1 102 102 LEU HD22 H 1 0.734 0.05 . 2 . . . . 103 LEU QD2 . 6928 1 1234 . 1 1 102 102 LEU HD23 H 1 0.734 0.05 . 2 . . . . 103 LEU QD2 . 6928 1 1235 . 1 1 102 102 LEU C C 13 177.122 0.1 . 1 . . . . 103 LEU C . 6928 1 1236 . 1 1 102 102 LEU CA C 13 55.563 0.1 . 1 . . . . 103 LEU CA . 6928 1 1237 . 1 1 102 102 LEU CB C 13 41.489 0.1 . 1 . . . . 103 LEU CB . 6928 1 1238 . 1 1 102 102 LEU CG C 13 27.491 0.1 . 1 . . . . 103 LEU CG . 6928 1 1239 . 1 1 102 102 LEU CD1 C 13 25.202 0.1 . 2 . . . . 103 LEU CD1 . 6928 1 1240 . 1 1 102 102 LEU CD2 C 13 23.443 0.1 . 2 . . . . 103 LEU CD2 . 6928 1 1241 . 1 1 102 102 LEU N N 15 122.102 0.1 . 1 . . . . 103 LEU N . 6928 1 1242 . 1 1 103 103 LEU H H 1 8.986 0.05 . 1 . . . . 104 LEU HN . 6928 1 1243 . 1 1 103 103 LEU HA H 1 4.477 0.05 . 1 . . . . 104 LEU HA . 6928 1 1244 . 1 1 103 103 LEU HB2 H 1 1.453 0.05 . 1 . . . . 104 LEU QB . 6928 1 1245 . 1 1 103 103 LEU HB3 H 1 1.453 0.05 . 1 . . . . 104 LEU QB . 6928 1 1246 . 1 1 103 103 LEU HG H 1 1.460 0.05 . 1 . . . . 104 LEU HG . 6928 1 1247 . 1 1 103 103 LEU HD11 H 1 0.939 0.05 . 2 . . . . 104 LEU QD1 . 6928 1 1248 . 1 1 103 103 LEU HD12 H 1 0.939 0.05 . 2 . . . . 104 LEU QD1 . 6928 1 1249 . 1 1 103 103 LEU HD13 H 1 0.939 0.05 . 2 . . . . 104 LEU QD1 . 6928 1 1250 . 1 1 103 103 LEU HD21 H 1 0.835 0.05 . 2 . . . . 104 LEU QD2 . 6928 1 1251 . 1 1 103 103 LEU HD22 H 1 0.835 0.05 . 2 . . . . 104 LEU QD2 . 6928 1 1252 . 1 1 103 103 LEU HD23 H 1 0.835 0.05 . 2 . . . . 104 LEU QD2 . 6928 1 1253 . 1 1 103 103 LEU C C 13 176.510 0.1 . 1 . . . . 104 LEU C . 6928 1 1254 . 1 1 103 103 LEU CA C 13 56.070 0.1 . 1 . . . . 104 LEU CA . 6928 1 1255 . 1 1 103 103 LEU CB C 13 43.532 0.1 . 1 . . . . 104 LEU CB . 6928 1 1256 . 1 1 103 103 LEU CG C 13 27.663 0.1 . 1 . . . . 104 LEU CG . 6928 1 1257 . 1 1 103 103 LEU CD1 C 13 24.562 0.1 . 2 . . . . 104 LEU CD1 . 6928 1 1258 . 1 1 103 103 LEU CD2 C 13 25.526 0.1 . 2 . . . . 104 LEU CD2 . 6928 1 1259 . 1 1 103 103 LEU N N 15 126.304 0.1 . 1 . . . . 104 LEU N . 6928 1 1260 . 1 1 104 104 MET H H 1 7.408 0.05 . 1 . . . . 105 MET HN . 6928 1 1261 . 1 1 104 104 MET HA H 1 4.495 0.05 . 1 . . . . 105 MET HA . 6928 1 1262 . 1 1 104 104 MET HB2 H 1 1.955 0.05 . 2 . . . . 105 MET HB2 . 6928 1 1263 . 1 1 104 104 MET HB3 H 1 1.644 0.05 . 2 . . . . 105 MET HB3 . 6928 1 1264 . 1 1 104 104 MET HG2 H 1 2.404 0.05 . 1 . . . . 105 MET QG . 6928 1 1265 . 1 1 104 104 MET HG3 H 1 2.404 0.05 . 1 . . . . 105 MET QG . 6928 1 1266 . 1 1 104 104 MET HE1 H 1 2.028 0.05 . 1 . . . . 105 MET QE . 6928 1 1267 . 1 1 104 104 MET HE2 H 1 2.028 0.05 . 1 . . . . 105 MET QE . 6928 1 1268 . 1 1 104 104 MET HE3 H 1 2.028 0.05 . 1 . . . . 105 MET QE . 6928 1 1269 . 1 1 104 104 MET C C 13 172.327 0.1 . 1 . . . . 105 MET C . 6928 1 1270 . 1 1 104 104 MET CA C 13 55.955 0.1 . 1 . . . . 105 MET CA . 6928 1 1271 . 1 1 104 104 MET CB C 13 36.868 0.1 . 1 . . . . 105 MET CB . 6928 1 1272 . 1 1 104 104 MET CG C 13 32.457 0.1 . 1 . . . . 105 MET CG . 6928 1 1273 . 1 1 104 104 MET CE C 13 18.409 0.1 . 1 . . . . 105 MET CE . 6928 1 1274 . 1 1 104 104 MET N N 15 114.965 0.1 . 1 . . . . 105 MET N . 6928 1 1275 . 1 1 105 105 GLU H H 1 8.238 0.05 . 1 . . . . 106 GLU HN . 6928 1 1276 . 1 1 105 105 GLU HA H 1 5.183 0.05 . 1 . . . . 106 GLU HA . 6928 1 1277 . 1 1 105 105 GLU HB2 H 1 1.947 0.05 . 1 . . . . 106 GLU QB . 6928 1 1278 . 1 1 105 105 GLU HB3 H 1 1.947 0.05 . 1 . . . . 106 GLU QB . 6928 1 1279 . 1 1 105 105 GLU HG2 H 1 2.429 0.05 . 2 . . . . 106 GLU HG2 . 6928 1 1280 . 1 1 105 105 GLU HG3 H 1 2.263 0.05 . 2 . . . . 106 GLU HG3 . 6928 1 1281 . 1 1 105 105 GLU C C 13 174.779 0.1 . 1 . . . . 106 GLU C . 6928 1 1282 . 1 1 105 105 GLU CA C 13 55.870 0.1 . 1 . . . . 106 GLU CA . 6928 1 1283 . 1 1 105 105 GLU CB C 13 33.248 0.1 . 1 . . . . 106 GLU CB . 6928 1 1284 . 1 1 105 105 GLU CG C 13 36.479 0.1 . 1 . . . . 106 GLU CG . 6928 1 1285 . 1 1 105 105 GLU N N 15 124.414 0.1 . 1 . . . . 106 GLU N . 6928 1 1286 . 1 1 106 106 CYS H H 1 9.348 0.05 . 1 . . . . 107 CYS HN . 6928 1 1287 . 1 1 106 106 CYS HA H 1 5.074 0.05 . 1 . . . . 107 CYS HA . 6928 1 1288 . 1 1 106 106 CYS HB2 H 1 3.051 0.05 . 2 . . . . 107 CYS HB2 . 6928 1 1289 . 1 1 106 106 CYS HB3 H 1 3.025 0.05 . 2 . . . . 107 CYS HB3 . 6928 1 1290 . 1 1 106 106 CYS C C 13 172.503 0.1 . 1 . . . . 107 CYS C . 6928 1 1291 . 1 1 106 106 CYS CA C 13 56.403 0.1 . 1 . . . . 107 CYS CA . 6928 1 1292 . 1 1 106 106 CYS CB C 13 31.390 0.1 . 1 . . . . 107 CYS CB . 6928 1 1293 . 1 1 106 106 CYS N N 15 122.606 0.1 . 1 . . . . 107 CYS N . 6928 1 1294 . 1 1 107 107 GLY H H 1 8.588 0.05 . 1 . . . . 108 GLY HN . 6928 1 1295 . 1 1 107 107 GLY HA2 H 1 4.418 0.05 . 2 . . . . 108 GLY HA1 . 6928 1 1296 . 1 1 107 107 GLY HA3 H 1 3.805 0.05 . 2 . . . . 108 GLY HA2 . 6928 1 1297 . 1 1 107 107 GLY C C 13 173.953 0.1 . 1 . . . . 108 GLY C . 6928 1 1298 . 1 1 107 107 GLY CA C 13 45.054 0.1 . 1 . . . . 108 GLY CA . 6928 1 1299 . 1 1 107 107 GLY N N 15 107.256 0.1 . 1 . . . . 108 GLY N . 6928 1 1300 . 1 1 108 108 ALA H H 1 8.514 0.05 . 1 . . . . 109 ALA HN . 6928 1 1301 . 1 1 108 108 ALA HA H 1 4.749 0.05 . 1 . . . . 109 ALA HA . 6928 1 1302 . 1 1 108 108 ALA HB1 H 1 1.271 0.05 . 1 . . . . 109 ALA QB . 6928 1 1303 . 1 1 108 108 ALA HB2 H 1 1.271 0.05 . 1 . . . . 109 ALA QB . 6928 1 1304 . 1 1 108 108 ALA HB3 H 1 1.271 0.05 . 1 . . . . 109 ALA QB . 6928 1 1305 . 1 1 108 108 ALA CA C 13 50.307 0.1 . 1 . . . . 109 ALA CA . 6928 1 1306 . 1 1 108 108 ALA CB C 13 20.207 0.1 . 1 . . . . 109 ALA CB . 6928 1 1307 . 1 1 108 108 ALA N N 15 124.340 0.1 . 1 . . . . 109 ALA N . 6928 1 1308 . 1 1 109 109 PRO HA H 1 3.791 0.05 . 1 . . . . 110 PRO HA . 6928 1 1309 . 1 1 109 109 PRO HB2 H 1 1.598 0.05 . 2 . . . . 110 PRO HB2 . 6928 1 1310 . 1 1 109 109 PRO HB3 H 1 1.380 0.05 . 2 . . . . 110 PRO HB3 . 6928 1 1311 . 1 1 109 109 PRO HG2 H 1 1.777 0.05 . 2 . . . . 110 PRO HG2 . 6928 1 1312 . 1 1 109 109 PRO HG3 H 1 1.031 0.05 . 2 . . . . 110 PRO HG3 . 6928 1 1313 . 1 1 109 109 PRO HD2 H 1 3.357 0.05 . 2 . . . . 110 PRO HD2 . 6928 1 1314 . 1 1 109 109 PRO HD3 H 1 3.139 0.05 . 2 . . . . 110 PRO HD3 . 6928 1 1315 . 1 1 109 109 PRO C C 13 176.562 0.1 . 1 . . . . 110 PRO C . 6928 1 1316 . 1 1 109 109 PRO CA C 13 62.608 0.1 . 1 . . . . 110 PRO CA . 6928 1 1317 . 1 1 109 109 PRO CB C 13 31.949 0.1 . 1 . . . . 110 PRO CB . 6928 1 1318 . 1 1 109 109 PRO CG C 13 27.045 0.1 . 1 . . . . 110 PRO CG . 6928 1 1319 . 1 1 109 109 PRO CD C 13 50.193 0.1 . 1 . . . . 110 PRO CD . 6928 1 1320 . 1 1 110 110 ARG H H 1 9.569 0.05 . 1 . . . . 111 ARG HN . 6928 1 1321 . 1 1 110 110 ARG HA H 1 4.537 0.05 . 1 . . . . 111 ARG HA . 6928 1 1322 . 1 1 110 110 ARG HB2 H 1 1.889 0.05 . 1 . . . . 111 ARG QB . 6928 1 1323 . 1 1 110 110 ARG HB3 H 1 1.889 0.05 . 1 . . . . 111 ARG QB . 6928 1 1324 . 1 1 110 110 ARG HG2 H 1 1.796 0.05 . 1 . . . . 111 ARG QG . 6928 1 1325 . 1 1 110 110 ARG HG3 H 1 1.796 0.05 . 1 . . . . 111 ARG QG . 6928 1 1326 . 1 1 110 110 ARG HD2 H 1 3.207 0.05 . 2 . . . . 111 ARG HD2 . 6928 1 1327 . 1 1 110 110 ARG HD3 H 1 3.081 0.05 . 2 . . . . 111 ARG HD3 . 6928 1 1328 . 1 1 110 110 ARG C C 13 176.731 0.1 . 1 . . . . 111 ARG C . 6928 1 1329 . 1 1 110 110 ARG CA C 13 53.912 0.1 . 1 . . . . 111 ARG CA . 6928 1 1330 . 1 1 110 110 ARG CB C 13 31.127 0.1 . 1 . . . . 111 ARG CB . 6928 1 1331 . 1 1 110 110 ARG CG C 13 26.882 0.1 . 1 . . . . 111 ARG CG . 6928 1 1332 . 1 1 110 110 ARG CD C 13 42.618 0.1 . 1 . . . . 111 ARG CD . 6928 1 1333 . 1 1 110 110 ARG N N 15 124.699 0.1 . 1 . . . . 111 ARG N . 6928 1 1334 . 1 1 111 111 SER H H 1 8.542 0.05 . 1 . . . . 112 SER HN . 6928 1 1335 . 1 1 111 111 SER N N 15 117.456 0.1 . 1 . . . . 112 SER N . 6928 1 1336 . 1 1 112 112 GLN HA H 1 4.393 0.05 . 1 . . . . 113 GLN HA . 6928 1 1337 . 1 1 112 112 GLN HE21 H 1 7.588 0.05 . 2 . . . . 113 GLN HE21 . 6928 1 1338 . 1 1 112 112 GLN HE22 H 1 6.840 0.05 . 2 . . . . 113 GLN HE22 . 6928 1 1339 . 1 1 112 112 GLN C C 13 176.277 0.1 . 1 . . . . 113 GLN C . 6928 1 1340 . 1 1 112 112 GLN CA C 13 56.338 0.1 . 1 . . . . 113 GLN CA . 6928 1 1341 . 1 1 112 112 GLN CD C 13 180.414 0.1 . 1 . . . . 113 GLN CD . 6928 1 1342 . 1 1 112 112 GLN NE2 N 15 112.517 0.1 . 1 . . . . 113 GLN NE2 . 6928 1 1343 . 1 1 113 113 GLY HA2 H 1 3.928 0.05 . 1 . . . . 114 GLY QA . 6928 1 1344 . 1 1 113 113 GLY HA3 H 1 3.928 0.05 . 1 . . . . 114 GLY QA . 6928 1 1345 . 1 1 113 113 GLY C C 13 173.826 0.1 . 1 . . . . 114 GLY C . 6928 1 1346 . 1 1 113 113 GLY CA C 13 45.323 0.1 . 1 . . . . 114 GLY CA . 6928 1 1347 . 1 1 114 114 GLN H H 1 8.234 0.05 . 1 . . . . 115 GLN HN . 6928 1 1348 . 1 1 114 114 GLN HA H 1 4.323 0.05 . 1 . . . . 115 GLN HA . 6928 1 1349 . 1 1 114 114 GLN HB2 H 1 2.103 0.05 . 2 . . . . 115 GLN HB2 . 6928 1 1350 . 1 1 114 114 GLN HB3 H 1 1.978 0.05 . 2 . . . . 115 GLN HB3 . 6928 1 1351 . 1 1 114 114 GLN HG2 H 1 2.334 0.05 . 1 . . . . 115 GLN QG . 6928 1 1352 . 1 1 114 114 GLN HG3 H 1 2.334 0.05 . 1 . . . . 115 GLN QG . 6928 1 1353 . 1 1 114 114 GLN HE21 H 1 7.617 0.05 . 2 . . . . 115 GLN HE21 . 6928 1 1354 . 1 1 114 114 GLN HE22 H 1 6.882 0.05 . 2 . . . . 115 GLN HE22 . 6928 1 1355 . 1 1 114 114 GLN C C 13 175.130 0.1 . 1 . . . . 115 GLN C . 6928 1 1356 . 1 1 114 114 GLN CA C 13 55.982 0.1 . 1 . . . . 115 GLN CA . 6928 1 1357 . 1 1 114 114 GLN CB C 13 29.721 0.1 . 1 . . . . 115 GLN CB . 6928 1 1358 . 1 1 114 114 GLN CG C 13 33.890 0.1 . 1 . . . . 115 GLN CG . 6928 1 1359 . 1 1 114 114 GLN CD C 13 180.567 0.1 . 1 . . . . 115 GLN CD . 6928 1 1360 . 1 1 114 114 GLN N N 15 120.456 0.1 . 1 . . . . 115 GLN N . 6928 1 1361 . 1 1 114 114 GLN NE2 N 15 112.757 0.1 . 1 . . . . 115 GLN NE2 . 6928 1 1362 . 1 1 115 115 ARG H H 1 8.087 0.05 . 1 . . . . 116 ARG HN . 6928 1 1363 . 1 1 115 115 ARG HA H 1 4.152 0.05 . 1 . . . . 116 ARG HA . 6928 1 1364 . 1 1 115 115 ARG HB2 H 1 1.832 0.05 . 2 . . . . 116 ARG HB2 . 6928 1 1365 . 1 1 115 115 ARG HB3 H 1 1.702 0.05 . 2 . . . . 116 ARG HB3 . 6928 1 1366 . 1 1 115 115 ARG HG2 H 1 1.589 0.05 . 1 . . . . 116 ARG QG . 6928 1 1367 . 1 1 115 115 ARG HG3 H 1 1.589 0.05 . 1 . . . . 116 ARG QG . 6928 1 1368 . 1 1 115 115 ARG HD2 H 1 3.155 0.05 . 1 . . . . 116 ARG QD . 6928 1 1369 . 1 1 115 115 ARG HD3 H 1 3.155 0.05 . 1 . . . . 116 ARG QD . 6928 1 1370 . 1 1 115 115 ARG C C 13 181.070 0.1 . 1 . . . . 116 ARG C . 6928 1 1371 . 1 1 115 115 ARG CA C 13 57.620 0.1 . 1 . . . . 116 ARG CA . 6928 1 1372 . 1 1 115 115 ARG CB C 13 31.531 0.1 . 1 . . . . 116 ARG CB . 6928 1 1373 . 1 1 115 115 ARG CG C 13 27.249 0.1 . 1 . . . . 116 ARG CG . 6928 1 1374 . 1 1 115 115 ARG CD C 13 43.393 0.1 . 1 . . . . 116 ARG CD . 6928 1 1375 . 1 1 115 115 ARG N N 15 127.925 0.1 . 1 . . . . 116 ARG N . 6928 1 stop_ save_