data_6512 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6512 _Entry.Title ; 1H, 15N, and 13C resonance assignments of Vaccinia Virus Envelope protein, A27L ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-18 _Entry.Accession_date 2005-02-18 _Entry.Last_release_date 2005-07-26 _Entry.Original_release_date 2005-07-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Feng-I Chu . . . 6512 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6512 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 487 6512 '15N chemical shifts' 124 6512 '1H chemical shifts' 564 6512 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-07-26 2005-02-18 original author . 6512 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6512 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR assignment of the vaccinia virus envelope protein A27L' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 2 _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 178 _Citation.Page_last 178 _Citation.Year 2005 _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 Feng-I Chu . . . 6512 1 2 Yu Ho . . . 6512 1 3 Der-Lii Tzou . M. . 6512 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Envelope protein' 6512 1 'heteronuclear NMR' 6512 1 'Vaccinia Virus' 6512 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_A27L _Assembly.Sf_category assembly _Assembly.Sf_framecode system_A27L _Assembly.Entry_ID 6512 _Assembly.ID 1 _Assembly.Name 'Vaccinia Virus envelope protein A27L' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID trimer 6512 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'A27L, chain 1' 1 $A27L_monomer . . . reduced . . 1 . . 6512 1 2 'A27L, chain 2' 1 $A27L_monomer . . . reduced . . 1 . . 6512 1 3 'A27L, chain 3' 1 $A27L_monomer . . . reduced . . 1 . . 6512 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID A27L abbreviation 6512 1 'Vaccinia Virus envelope protein A27L' system 6512 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_A27L_monomer _Entity.Sf_category entity _Entity.Sf_framecode A27L_monomer _Entity.Entry_ID 6512 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'A27L vaccinia virus envelope protein' _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 ; MASMTGGQQMGRGSMDGTLF PGDDDLAIPATEFFSTKAAK KPEAKREAIVKADEDDNEET LKQRLTNLEKKITNVTTKFE QIEKCCKRNDEVLFRLENHA ETLRAAMISLAKKIDVQTGR RQYEKLAAALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15509 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Residues 1-14(MASMTGGQQMGRGS) and residues 125-137 (KLAAALEHHHHHH) are t7-tag and his-tag,respectively. ; _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 EMBL CAA46494 . "14kDa fusion protein [Variola virus]" . . . . . 80.29 110 97.27 98.18 3.37e-70 . . . . 6512 1 2 no EMBL CAA53001 . "14kDa fusion protein [Cowpox virus]" . . . . . 80.29 110 97.27 98.18 4.94e-70 . . . . 6512 1 3 no EMBL CAA53856 . "unnamed protein product [Variola virus]" . . . . . 80.29 110 97.27 98.18 3.37e-70 . . . . 6512 1 4 no EMBL CAB11754 . "hypothetical protein [Vaccinia virus]" . . . . . 80.29 110 98.18 98.18 5.46e-71 . . . . 6512 1 5 no EMBL CAB11756 . "hypothetical protein [Vaccinia virus]" . . . . . 80.29 110 97.27 98.18 2.54e-70 . . . . 6512 1 6 no GB AAA48152 . "putative A27L [Vaccinia virus Copenhagen]" . . . . . 80.29 110 98.18 98.18 5.46e-71 . . . . 6512 1 7 no GB AAA48248 . "14kd fusion protein [Vaccinia virus]" . . . . . 80.29 110 99.09 99.09 5.84e-72 . . . . 6512 1 8 no GB AAA60882 . "homolog of vaccinia virus CDS A27L (14 kDa fusion protein); putative [Variola major virus]" . . . . . 80.29 110 97.27 98.18 3.37e-70 . . . . 6512 1 9 no GB AAB96472 . "14k membrane protein [Vaccinia virus]" . . . . . 80.29 110 98.18 98.18 4.21e-71 . . . . 6512 1 10 no GB AAF34032 . "TA36L [Vaccinia virus Tian Tan]" . . . . . 79.56 110 99.08 99.08 3.27e-71 . . . . 6512 1 11 no REF NP_619946 . "CPXV162 protein [Cowpox virus]" . . . . . 80.29 110 97.27 98.18 4.94e-70 . . . . 6512 1 12 no REF YP_233032 . "IMV surface protein [Vaccinia virus]" . . . . . 80.29 110 99.09 99.09 5.84e-72 . . . . 6512 1 13 no SP P11258 . "RecName: Full=Protein A27 [Vaccinia virus WR]" . . . . . 80.29 110 99.09 99.09 5.84e-72 . . . . 6512 1 14 no SP P20535 . "RecName: Full=14 kDa fusion protein [Vaccinia virus Copenhagen]" . . . . . 80.29 110 98.18 98.18 5.46e-71 . . . . 6512 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID A27L abbreviation 6512 1 'A27L vaccinia virus envelope protein' common 6512 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 -14 MET . 6512 1 2 -13 ALA . 6512 1 3 -12 SER . 6512 1 4 -11 MET . 6512 1 5 -10 THR . 6512 1 6 -9 GLY . 6512 1 7 -8 GLY . 6512 1 8 -7 GLN . 6512 1 9 -6 GLN . 6512 1 10 -5 MET . 6512 1 11 -4 GLY . 6512 1 12 -3 ARG . 6512 1 13 -2 GLY . 6512 1 14 -1 SER . 6512 1 15 1 MET . 6512 1 16 2 ASP . 6512 1 17 3 GLY . 6512 1 18 4 THR . 6512 1 19 5 LEU . 6512 1 20 6 PHE . 6512 1 21 7 PRO . 6512 1 22 8 GLY . 6512 1 23 9 ASP . 6512 1 24 10 ASP . 6512 1 25 11 ASP . 6512 1 26 12 LEU . 6512 1 27 13 ALA . 6512 1 28 14 ILE . 6512 1 29 15 PRO . 6512 1 30 16 ALA . 6512 1 31 17 THR . 6512 1 32 18 GLU . 6512 1 33 19 PHE . 6512 1 34 20 PHE . 6512 1 35 21 SER . 6512 1 36 22 THR . 6512 1 37 23 LYS . 6512 1 38 24 ALA . 6512 1 39 25 ALA . 6512 1 40 26 LYS . 6512 1 41 27 LYS . 6512 1 42 28 PRO . 6512 1 43 29 GLU . 6512 1 44 30 ALA . 6512 1 45 31 LYS . 6512 1 46 32 ARG . 6512 1 47 33 GLU . 6512 1 48 34 ALA . 6512 1 49 35 ILE . 6512 1 50 36 VAL . 6512 1 51 37 LYS . 6512 1 52 38 ALA . 6512 1 53 39 ASP . 6512 1 54 40 GLU . 6512 1 55 41 ASP . 6512 1 56 42 ASP . 6512 1 57 43 ASN . 6512 1 58 44 GLU . 6512 1 59 45 GLU . 6512 1 60 46 THR . 6512 1 61 47 LEU . 6512 1 62 48 LYS . 6512 1 63 49 GLN . 6512 1 64 50 ARG . 6512 1 65 51 LEU . 6512 1 66 52 THR . 6512 1 67 53 ASN . 6512 1 68 54 LEU . 6512 1 69 55 GLU . 6512 1 70 56 LYS . 6512 1 71 57 LYS . 6512 1 72 58 ILE . 6512 1 73 59 THR . 6512 1 74 60 ASN . 6512 1 75 61 VAL . 6512 1 76 62 THR . 6512 1 77 63 THR . 6512 1 78 64 LYS . 6512 1 79 65 PHE . 6512 1 80 66 GLU . 6512 1 81 67 GLN . 6512 1 82 68 ILE . 6512 1 83 69 GLU . 6512 1 84 70 LYS . 6512 1 85 71 CYS . 6512 1 86 72 CYS . 6512 1 87 72 LYS . 6512 1 88 74 ARG . 6512 1 89 75 ASN . 6512 1 90 76 ASP . 6512 1 91 77 GLU . 6512 1 92 78 VAL . 6512 1 93 79 LEU . 6512 1 94 80 PHE . 6512 1 95 81 ARG . 6512 1 96 82 LEU . 6512 1 97 83 GLU . 6512 1 98 84 ASN . 6512 1 99 85 HIS . 6512 1 100 86 ALA . 6512 1 101 87 GLU . 6512 1 102 88 THR . 6512 1 103 89 LEU . 6512 1 104 90 ARG . 6512 1 105 91 ALA . 6512 1 106 92 ALA . 6512 1 107 93 MET . 6512 1 108 94 ILE . 6512 1 109 95 SER . 6512 1 110 96 LEU . 6512 1 111 97 ALA . 6512 1 112 98 LYS . 6512 1 113 99 LYS . 6512 1 114 100 ILE . 6512 1 115 101 ASP . 6512 1 116 102 VAL . 6512 1 117 103 GLN . 6512 1 118 104 THR . 6512 1 119 105 GLY . 6512 1 120 106 ARG . 6512 1 121 107 ARG . 6512 1 122 108 GLN . 6512 1 123 109 TYR . 6512 1 124 110 GLU . 6512 1 125 +1 LYS . 6512 1 126 +2 LEU . 6512 1 127 +3 ALA . 6512 1 128 +4 ALA . 6512 1 129 +5 ALA . 6512 1 130 +6 LEU . 6512 1 131 +7 GLU . 6512 1 132 +8 HIS . 6512 1 133 +9 HIS . 6512 1 134 +10 HIS . 6512 1 135 +11 HIS . 6512 1 136 +12 HIS . 6512 1 137 +13 HIS . 6512 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 . MET 1 1 6512 1 . ALA 2 2 6512 1 . SER 3 3 6512 1 . MET 4 4 6512 1 . THR 5 5 6512 1 . GLY 6 6 6512 1 . GLY 7 7 6512 1 . GLN 8 8 6512 1 . GLN 9 9 6512 1 . MET 10 10 6512 1 . GLY 11 11 6512 1 . ARG 12 12 6512 1 . GLY 13 13 6512 1 . SER 14 14 6512 1 . MET 15 15 6512 1 . ASP 16 16 6512 1 . GLY 17 17 6512 1 . THR 18 18 6512 1 . LEU 19 19 6512 1 . PHE 20 20 6512 1 . PRO 21 21 6512 1 . GLY 22 22 6512 1 . ASP 23 23 6512 1 . ASP 24 24 6512 1 . ASP 25 25 6512 1 . LEU 26 26 6512 1 . ALA 27 27 6512 1 . ILE 28 28 6512 1 . PRO 29 29 6512 1 . ALA 30 30 6512 1 . THR 31 31 6512 1 . GLU 32 32 6512 1 . PHE 33 33 6512 1 . PHE 34 34 6512 1 . SER 35 35 6512 1 . THR 36 36 6512 1 . LYS 37 37 6512 1 . ALA 38 38 6512 1 . ALA 39 39 6512 1 . LYS 40 40 6512 1 . LYS 41 41 6512 1 . PRO 42 42 6512 1 . GLU 43 43 6512 1 . ALA 44 44 6512 1 . LYS 45 45 6512 1 . ARG 46 46 6512 1 . GLU 47 47 6512 1 . ALA 48 48 6512 1 . ILE 49 49 6512 1 . VAL 50 50 6512 1 . LYS 51 51 6512 1 . ALA 52 52 6512 1 . ASP 53 53 6512 1 . GLU 54 54 6512 1 . ASP 55 55 6512 1 . ASP 56 56 6512 1 . ASN 57 57 6512 1 . GLU 58 58 6512 1 . GLU 59 59 6512 1 . THR 60 60 6512 1 . LEU 61 61 6512 1 . LYS 62 62 6512 1 . GLN 63 63 6512 1 . ARG 64 64 6512 1 . LEU 65 65 6512 1 . THR 66 66 6512 1 . ASN 67 67 6512 1 . LEU 68 68 6512 1 . GLU 69 69 6512 1 . LYS 70 70 6512 1 . LYS 71 71 6512 1 . ILE 72 72 6512 1 . THR 73 73 6512 1 . ASN 74 74 6512 1 . VAL 75 75 6512 1 . THR 76 76 6512 1 . THR 77 77 6512 1 . LYS 78 78 6512 1 . PHE 79 79 6512 1 . GLU 80 80 6512 1 . GLN 81 81 6512 1 . ILE 82 82 6512 1 . GLU 83 83 6512 1 . LYS 84 84 6512 1 . CYS 85 85 6512 1 . CYS 86 86 6512 1 . LYS 87 87 6512 1 . ARG 88 88 6512 1 . ASN 89 89 6512 1 . ASP 90 90 6512 1 . GLU 91 91 6512 1 . VAL 92 92 6512 1 . LEU 93 93 6512 1 . PHE 94 94 6512 1 . ARG 95 95 6512 1 . LEU 96 96 6512 1 . GLU 97 97 6512 1 . ASN 98 98 6512 1 . HIS 99 99 6512 1 . ALA 100 100 6512 1 . GLU 101 101 6512 1 . THR 102 102 6512 1 . LEU 103 103 6512 1 . ARG 104 104 6512 1 . ALA 105 105 6512 1 . ALA 106 106 6512 1 . MET 107 107 6512 1 . ILE 108 108 6512 1 . SER 109 109 6512 1 . LEU 110 110 6512 1 . ALA 111 111 6512 1 . LYS 112 112 6512 1 . LYS 113 113 6512 1 . ILE 114 114 6512 1 . ASP 115 115 6512 1 . VAL 116 116 6512 1 . GLN 117 117 6512 1 . THR 118 118 6512 1 . GLY 119 119 6512 1 . ARG 120 120 6512 1 . ARG 121 121 6512 1 . GLN 122 122 6512 1 . TYR 123 123 6512 1 . GLU 124 124 6512 1 . LYS 125 125 6512 1 . LEU 126 126 6512 1 . ALA 127 127 6512 1 . ALA 128 128 6512 1 . ALA 129 129 6512 1 . LEU 130 130 6512 1 . GLU 131 131 6512 1 . HIS 132 132 6512 1 . HIS 133 133 6512 1 . HIS 134 134 6512 1 . HIS 135 135 6512 1 . HIS 136 136 6512 1 . HIS 137 137 6512 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 6512 _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 $A27L_monomer . 10245 . . 'Poxviridae Vaccinia virus' 'Vaccinia virus' . . Viruses . Poxviridae 'Vaccinia virus' . . . . . . . . . . . . . . . . . . . . . 6512 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 6512 _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 $A27L_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pet21 . . . . . . 6512 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6512 _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 'A27L vaccinia virus envelope protein' '[U-99% 13C; U-99% 15N]' . . 1 $A27L_monomer . . 1.5 . . mM . . . . 6512 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6512 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.5 0.05 pH 6512 1 temperature 298 0.1 K 6512 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6512 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6512 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 600 . . . 6512 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6512 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6512 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6512 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6512 1 4 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6512 1 5 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6512 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6512 1 7 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6512 1 8 1H-15N-TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6512 1 9 3D-HCCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6512 1 10 3D-CCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6512 1 11 2D-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6512 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6512 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6512 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6512 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6512 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6512 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6512 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6512 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6512 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 1H-15N-TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6512 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 3D-HCCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6512 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 3D-CCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6512 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 2D-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6512 _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 . . . . . . . . . 6512 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6512 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6512 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 6512 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6512 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 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 6512 1 2 . 1 1 3 3 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 6512 1 3 . 1 1 3 3 SER C C 13 174.4 0.05 . 1 . . . . . . . . 6512 1 4 . 1 1 3 3 SER CA C 13 58.2 0.05 . 1 . . . . . . . . 6512 1 5 . 1 1 3 3 SER CB C 13 63.7 0.05 . 1 . . . . . . . . 6512 1 6 . 1 1 4 4 MET H H 1 8.68 0.02 . 1 . . . . . . . . 6512 1 7 . 1 1 4 4 MET HA H 1 4.61 0.02 . 1 . . . . . . . . 6512 1 8 . 1 1 4 4 MET HB2 H 1 2.10 0.02 . 2 . . . . . . . . 6512 1 9 . 1 1 4 4 MET HG2 H 1 2.67 0.02 . 2 . . . . . . . . 6512 1 10 . 1 1 4 4 MET HG3 H 1 2.55 0.02 . 2 . . . . . . . . 6512 1 11 . 1 1 4 4 MET C C 13 176.5 0.05 . 1 . . . . . . . . 6512 1 12 . 1 1 4 4 MET CA C 13 55.6 0.05 . 1 . . . . . . . . 6512 1 13 . 1 1 4 4 MET CB C 13 32.7 0.05 . 1 . . . . . . . . 6512 1 14 . 1 1 4 4 MET CG C 13 31.5 0.05 . 1 . . . . . . . . 6512 1 15 . 1 1 4 4 MET N N 15 122.9 0.05 . 1 . . . . . . . . 6512 1 16 . 1 1 5 5 THR H H 1 8.25 0.02 . 1 . . . . . . . . 6512 1 17 . 1 1 5 5 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 6512 1 18 . 1 1 5 5 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 6512 1 19 . 1 1 5 5 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 20 . 1 1 5 5 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 21 . 1 1 5 5 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 22 . 1 1 5 5 THR C C 13 175.1 0.05 . 1 . . . . . . . . 6512 1 23 . 1 1 5 5 THR CA C 13 61.8 0.05 . 1 . . . . . . . . 6512 1 24 . 1 1 5 5 THR CB C 13 69.8 0.05 . 1 . . . . . . . . 6512 1 25 . 1 1 5 5 THR CG2 C 13 21.4 0.05 . 1 . . . . . . . . 6512 1 26 . 1 1 5 5 THR N N 15 114.7 0.05 . 1 . . . . . . . . 6512 1 27 . 1 1 6 6 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 6512 1 28 . 1 1 6 6 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 6512 1 29 . 1 1 6 6 GLY C C 13 174.7 0.05 . 1 . . . . . . . . 6512 1 30 . 1 1 6 6 GLY CA C 13 45.3 0.05 . 1 . . . . . . . . 6512 1 31 . 1 1 6 6 GLY N N 15 111.2 0.05 . 1 . . . . . . . . 6512 1 32 . 1 1 7 7 GLY H H 1 8.33 0.02 . 1 . . . . . . . . 6512 1 33 . 1 1 7 7 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 6512 1 34 . 1 1 7 7 GLY C C 13 174.3 0.05 . 1 . . . . . . . . 6512 1 35 . 1 1 7 7 GLY CA C 13 45.2 0.05 . 1 . . . . . . . . 6512 1 36 . 1 1 7 7 GLY N N 15 108.6 0.05 . 1 . . . . . . . . 6512 1 37 . 1 1 8 8 GLN H H 1 8.34 0.02 . 1 . . . . . . . . 6512 1 38 . 1 1 8 8 GLN HA H 1 4.34 0.02 . 1 . . . . . . . . 6512 1 39 . 1 1 8 8 GLN HB2 H 1 2.04 0.02 . 2 . . . . . . . . 6512 1 40 . 1 1 8 8 GLN C C 13 176.1 0.05 . 1 . . . . . . . . 6512 1 41 . 1 1 8 8 GLN CA C 13 56.0 0.05 . 1 . . . . . . . . 6512 1 42 . 1 1 8 8 GLN CB C 13 29.2 0.05 . 1 . . . . . . . . 6512 1 43 . 1 1 8 8 GLN N N 15 119.8 0.05 . 1 . . . . . . . . 6512 1 44 . 1 1 9 9 GLN H H 1 8.58 0.02 . 1 . . . . . . . . 6512 1 45 . 1 1 9 9 GLN HA H 1 4.34 0.02 . 1 . . . . . . . . 6512 1 46 . 1 1 9 9 GLN HB2 H 1 2.05 0.02 . 2 . . . . . . . . 6512 1 47 . 1 1 9 9 GLN C C 13 176.0 0.05 . 1 . . . . . . . . 6512 1 48 . 1 1 9 9 GLN CA C 13 55.9 0.05 . 1 . . . . . . . . 6512 1 49 . 1 1 9 9 GLN CB C 13 29.2 0.05 . 1 . . . . . . . . 6512 1 50 . 1 1 9 9 GLN CG C 13 32.9 0.05 . 1 . . . . . . . . 6512 1 51 . 1 1 9 9 GLN N N 15 122.0 0.05 . 1 . . . . . . . . 6512 1 52 . 1 1 10 10 MET H H 1 8.46 0.02 . 1 . . . . . . . . 6512 1 53 . 1 1 10 10 MET HA H 1 4.50 0.02 . 1 . . . . . . . . 6512 1 54 . 1 1 10 10 MET HB2 H 1 2.06 0.02 . 2 . . . . . . . . 6512 1 55 . 1 1 10 10 MET HG2 H 1 2.60 0.02 . 2 . . . . . . . . 6512 1 56 . 1 1 10 10 MET C C 13 176.7 0.05 . 1 . . . . . . . . 6512 1 57 . 1 1 10 10 MET CA C 13 55.6 0.05 . 1 . . . . . . . . 6512 1 58 . 1 1 10 10 MET CB C 13 32.7 0.05 . 1 . . . . . . . . 6512 1 59 . 1 1 10 10 MET CG C 13 31.7 0.05 . 1 . . . . . . . . 6512 1 60 . 1 1 10 10 MET N N 15 121.7 0.05 . 1 . . . . . . . . 6512 1 61 . 1 1 11 11 GLY H H 1 8.47 0.02 . 1 . . . . . . . . 6512 1 62 . 1 1 11 11 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 6512 1 63 . 1 1 11 11 GLY C C 13 174.2 0.05 . 1 . . . . . . . . 6512 1 64 . 1 1 11 11 GLY CA C 13 45.3 0.05 . 1 . . . . . . . . 6512 1 65 . 1 1 11 11 GLY N N 15 110.1 0.05 . 1 . . . . . . . . 6512 1 66 . 1 1 12 12 ARG H H 1 8.23 0.02 . 1 . . . . . . . . 6512 1 67 . 1 1 12 12 ARG HA H 1 4.36 0.02 . 1 . . . . . . . . 6512 1 68 . 1 1 12 12 ARG HB2 H 1 1.91 0.02 . 2 . . . . . . . . 6512 1 69 . 1 1 12 12 ARG HG2 H 1 1.71 0.02 . 2 . . . . . . . . 6512 1 70 . 1 1 12 12 ARG C C 13 176.6 0.05 . 1 . . . . . . . . 6512 1 71 . 1 1 12 12 ARG CA C 13 56.2 0.05 . 1 . . . . . . . . 6512 1 72 . 1 1 12 12 ARG CB C 13 30.7 0.05 . 1 . . . . . . . . 6512 1 73 . 1 1 12 12 ARG CG C 13 26.8 0.05 . 1 . . . . . . . . 6512 1 74 . 1 1 12 12 ARG CD C 13 42.8 0.05 . 1 . . . . . . . . 6512 1 75 . 1 1 12 12 ARG N N 15 120.8 0.05 . 1 . . . . . . . . 6512 1 76 . 1 1 13 13 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 6512 1 77 . 1 1 13 13 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 6512 1 78 . 1 1 13 13 GLY C C 13 174.2 0.05 . 1 . . . . . . . . 6512 1 79 . 1 1 13 13 GLY CA C 13 45.2 0.05 . 1 . . . . . . . . 6512 1 80 . 1 1 13 13 GLY N N 15 110.0 0.05 . 1 . . . . . . . . 6512 1 81 . 1 1 14 14 SER H H 1 8.26 0.02 . 1 . . . . . . . . 6512 1 82 . 1 1 14 14 SER HA H 1 4.38 0.02 . 1 . . . . . . . . 6512 1 83 . 1 1 14 14 SER HB2 H 1 4.00 0.02 . 2 . . . . . . . . 6512 1 84 . 1 1 14 14 SER C C 13 175.0 0.05 . 1 . . . . . . . . 6512 1 85 . 1 1 14 14 SER CA C 13 58.5 0.05 . 1 . . . . . . . . 6512 1 86 . 1 1 14 14 SER CB C 13 63.8 0.05 . 1 . . . . . . . . 6512 1 87 . 1 1 14 14 SER N N 15 115.6 0.05 . 1 . . . . . . . . 6512 1 88 . 1 1 15 15 MET H H 1 8.50 0.02 . 1 . . . . . . . . 6512 1 89 . 1 1 15 15 MET HA H 1 4.51 0.02 . 1 . . . . . . . . 6512 1 90 . 1 1 15 15 MET HB2 H 1 2.08 0.02 . 2 . . . . . . . . 6512 1 91 . 1 1 15 15 MET HG2 H 1 2.57 0.02 . 2 . . . . . . . . 6512 1 92 . 1 1 15 15 MET C C 13 176.1 0.05 . 1 . . . . . . . . 6512 1 93 . 1 1 15 15 MET CA C 13 55.7 0.05 . 1 . . . . . . . . 6512 1 94 . 1 1 15 15 MET CB C 13 32.3 0.05 . 1 . . . . . . . . 6512 1 95 . 1 1 15 15 MET N N 15 121.9 0.05 . 1 . . . . . . . . 6512 1 96 . 1 1 16 16 ASP H H 1 8.45 0.02 . 1 . . . . . . . . 6512 1 97 . 1 1 16 16 ASP HA H 1 4.73 0.02 . 1 . . . . . . . . 6512 1 98 . 1 1 16 16 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 6512 1 99 . 1 1 16 16 ASP C C 13 175.6 0.05 . 1 . . . . . . . . 6512 1 100 . 1 1 16 16 ASP CA C 13 53.2 0.05 . 1 . . . . . . . . 6512 1 101 . 1 1 16 16 ASP CB C 13 38.0 0.05 . 1 . . . . . . . . 6512 1 102 . 1 1 16 16 ASP N N 15 119.7 0.05 . 1 . . . . . . . . 6512 1 103 . 1 1 17 17 GLY H H 1 8.35 0.05 . 1 . . . . . . . . 6512 1 104 . 1 1 17 17 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 6512 1 105 . 1 1 17 17 GLY C C 13 174.2 0.05 . 1 . . . . . . . . 6512 1 106 . 1 1 17 17 GLY CA C 13 45.5 0.05 . 1 . . . . . . . . 6512 1 107 . 1 1 17 17 GLY N N 15 109.3 0.05 . 1 . . . . . . . . 6512 1 108 . 1 1 18 18 THR H H 1 8.00 0.02 . 1 . . . . . . . . 6512 1 109 . 1 1 18 18 THR HA H 1 4.37 0.02 . 1 . . . . . . . . 6512 1 110 . 1 1 18 18 THR HB H 1 4.19 0.02 . 1 . . . . . . . . 6512 1 111 . 1 1 18 18 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 6512 1 112 . 1 1 18 18 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 6512 1 113 . 1 1 18 18 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 6512 1 114 . 1 1 18 18 THR C C 13 174.2 0.05 . 1 . . . . . . . . 6512 1 115 . 1 1 18 18 THR CA C 13 61.9 0.05 . 1 . . . . . . . . 6512 1 116 . 1 1 18 18 THR CB C 13 69.8 0.05 . 1 . . . . . . . . 6512 1 117 . 1 1 18 18 THR CG2 C 13 21.5 0.05 . 1 . . . . . . . . 6512 1 118 . 1 1 18 18 THR N N 15 113.9 0.05 . 1 . . . . . . . . 6512 1 119 . 1 1 19 19 LEU H H 1 8.16 0.02 . 1 . . . . . . . . 6512 1 120 . 1 1 19 19 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 121 . 1 1 19 19 LEU HB2 H 1 1.47 0.02 . 2 . . . . . . . . 6512 1 122 . 1 1 19 19 LEU HG H 1 1.47 0.02 . 1 . . . . . . . . 6512 1 123 . 1 1 19 19 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 6512 1 124 . 1 1 19 19 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 6512 1 125 . 1 1 19 19 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 6512 1 126 . 1 1 19 19 LEU C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 127 . 1 1 19 19 LEU CA C 13 55.1 0.05 . 1 . . . . . . . . 6512 1 128 . 1 1 19 19 LEU CB C 13 42.5 0.05 . 1 . . . . . . . . 6512 1 129 . 1 1 19 19 LEU CG C 13 26.6 0.05 . 1 . . . . . . . . 6512 1 130 . 1 1 19 19 LEU CD1 C 13 24.5 0.05 . 2 . . . . . . . . 6512 1 131 . 1 1 19 19 LEU CD2 C 13 23.4 0.05 . 2 . . . . . . . . 6512 1 132 . 1 1 19 19 LEU N N 15 124.4 0.05 . 1 . . . . . . . . 6512 1 133 . 1 1 20 20 PHE H H 1 8.18 0.02 . 1 . . . . . . . . 6512 1 134 . 1 1 20 20 PHE HA H 1 4.51 0.02 . 1 . . . . . . . . 6512 1 135 . 1 1 20 20 PHE HB2 H 1 2.97 0.02 . 2 . . . . . . . . 6512 1 136 . 1 1 20 20 PHE C C 13 173.9 0.05 . 1 . . . . . . . . 6512 1 137 . 1 1 20 20 PHE CA C 13 55.2 0.05 . 1 . . . . . . . . 6512 1 138 . 1 1 20 20 PHE CB C 13 38.9 0.05 . 1 . . . . . . . . 6512 1 139 . 1 1 20 20 PHE N N 15 121.4 0.05 . 1 . . . . . . . . 6512 1 140 . 1 1 21 21 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 6512 1 141 . 1 1 21 21 PRO HB2 H 1 2.27 0.02 . 2 . . . . . . . . 6512 1 142 . 1 1 21 21 PRO HG2 H 1 1.95 0.02 . 2 . . . . . . . . 6512 1 143 . 1 1 21 21 PRO C C 13 177.4 0.05 . 1 . . . . . . . . 6512 1 144 . 1 1 21 21 PRO CA C 13 63.7 0.05 . 1 . . . . . . . . 6512 1 145 . 1 1 21 21 PRO CB C 13 31.7 0.05 . 1 . . . . . . . . 6512 1 146 . 1 1 22 22 GLY H H 1 8.15 0.02 . 1 . . . . . . . . 6512 1 147 . 1 1 22 22 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 6512 1 148 . 1 1 22 22 GLY C C 13 174.2 0.05 . 1 . . . . . . . . 6512 1 149 . 1 1 22 22 GLY CA C 13 45.3 0.05 . 1 . . . . . . . . 6512 1 150 . 1 1 22 22 GLY N N 15 108.8 0.05 . 1 . . . . . . . . 6512 1 151 . 1 1 23 23 ASP H H 1 8.24 0.02 . 1 . . . . . . . . 6512 1 152 . 1 1 23 23 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . 6512 1 153 . 1 1 23 23 ASP HB2 H 1 2.91 0.02 . 2 . . . . . . . . 6512 1 154 . 1 1 23 23 ASP C C 13 175.1 0.05 . 1 . . . . . . . . 6512 1 155 . 1 1 23 23 ASP CA C 13 52.9 0.05 . 1 . . . . . . . . 6512 1 156 . 1 1 23 23 ASP CB C 13 38.0 0.05 . 1 . . . . . . . . 6512 1 157 . 1 1 23 23 ASP N N 15 118.4 0.05 . 1 . . . . . . . . 6512 1 158 . 1 1 24 24 ASP H H 1 8.38 0.02 . 1 . . . . . . . . 6512 1 159 . 1 1 24 24 ASP HA H 1 4.70 0.02 . 1 . . . . . . . . 6512 1 160 . 1 1 24 24 ASP HB2 H 1 2.88 0.02 . 2 . . . . . . . . 6512 1 161 . 1 1 24 24 ASP C C 13 175.1 0.05 . 1 . . . . . . . . 6512 1 162 . 1 1 24 24 ASP CA C 13 53.2 0.05 . 1 . . . . . . . . 6512 1 163 . 1 1 24 24 ASP CB C 13 38.1 0.05 . 1 . . . . . . . . 6512 1 164 . 1 1 24 24 ASP N N 15 119.6 0.05 . 1 . . . . . . . . 6512 1 165 . 1 1 25 25 ASP H H 1 8.47 0.02 . 1 . . . . . . . . 6512 1 166 . 1 1 25 25 ASP HA H 1 4.70 0.02 . 1 . . . . . . . . 6512 1 167 . 1 1 25 25 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 6512 1 168 . 1 1 25 25 ASP C C 13 174.8 0.05 . 1 . . . . . . . . 6512 1 169 . 1 1 25 25 ASP CA C 13 53.1 0.05 . 1 . . . . . . . . 6512 1 170 . 1 1 25 25 ASP CB C 13 38.0 0.05 . 1 . . . . . . . . 6512 1 171 . 1 1 25 25 ASP N N 15 119.5 0.05 . 1 . . . . . . . . 6512 1 172 . 1 1 26 26 LEU H H 1 8.04 0.02 . 1 . . . . . . . . 6512 1 173 . 1 1 26 26 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 6512 1 174 . 1 1 26 26 LEU HB2 H 1 1.60 0.02 . 2 . . . . . . . . 6512 1 175 . 1 1 26 26 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 6512 1 176 . 1 1 26 26 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 177 . 1 1 26 26 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 178 . 1 1 26 26 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 179 . 1 1 26 26 LEU C C 13 176.8 0.05 . 1 . . . . . . . . 6512 1 180 . 1 1 26 26 LEU CA C 13 55.1 0.05 . 1 . . . . . . . . 6512 1 181 . 1 1 26 26 LEU CB C 13 42.2 0.05 . 1 . . . . . . . . 6512 1 182 . 1 1 26 26 LEU CG C 13 26.6 0.05 . 1 . . . . . . . . 6512 1 183 . 1 1 26 26 LEU CD1 C 13 24.6 0.05 . 2 . . . . . . . . 6512 1 184 . 1 1 26 26 LEU CD2 C 13 23.1 0.05 . 2 . . . . . . . . 6512 1 185 . 1 1 26 26 LEU N N 15 122.0 0.05 . 1 . . . . . . . . 6512 1 186 . 1 1 27 27 ALA H H 1 8.12 0.02 . 1 . . . . . . . . 6512 1 187 . 1 1 27 27 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 188 . 1 1 27 27 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 6512 1 189 . 1 1 27 27 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 6512 1 190 . 1 1 27 27 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 6512 1 191 . 1 1 27 27 ALA C C 13 177.2 0.05 . 1 . . . . . . . . 6512 1 192 . 1 1 27 27 ALA CA C 13 52.2 0.05 . 1 . . . . . . . . 6512 1 193 . 1 1 27 27 ALA CB C 13 19.0 0.05 . 1 . . . . . . . . 6512 1 194 . 1 1 27 27 ALA N N 15 124.4 0.05 . 1 . . . . . . . . 6512 1 195 . 1 1 28 28 ILE H H 1 8.17 0.02 . 1 . . . . . . . . 6512 1 196 . 1 1 28 28 ILE HA H 1 4.15 0.02 . 1 . . . . . . . . 6512 1 197 . 1 1 28 28 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 6512 1 198 . 1 1 28 28 ILE HG12 H 1 1.51 0.02 . 2 . . . . . . . . 6512 1 199 . 1 1 28 28 ILE HG13 H 1 1.21 0.02 . 2 . . . . . . . . 6512 1 200 . 1 1 28 28 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 6512 1 201 . 1 1 28 28 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 6512 1 202 . 1 1 28 28 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 6512 1 203 . 1 1 28 28 ILE C C 13 176.2 0.05 . 1 . . . . . . . . 6512 1 204 . 1 1 28 28 ILE CA C 13 61.1 0.05 . 1 . . . . . . . . 6512 1 205 . 1 1 28 28 ILE CB C 13 38.3 0.05 . 1 . . . . . . . . 6512 1 206 . 1 1 28 28 ILE CG1 C 13 27.2 0.05 . 1 . . . . . . . . 6512 1 207 . 1 1 28 28 ILE CG2 C 13 17.1 0.05 . 1 . . . . . . . . 6512 1 208 . 1 1 28 28 ILE N N 15 121.1 0.05 . 1 . . . . . . . . 6512 1 209 . 1 1 29 29 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 6512 1 210 . 1 1 29 29 PRO HB2 H 1 2.31 0.02 . 2 . . . . . . . . 6512 1 211 . 1 1 29 29 PRO HG2 H 1 1.90 0.02 . 2 . . . . . . . . 6512 1 212 . 1 1 29 29 PRO C C 13 176.8 0.05 . 1 . . . . . . . . 6512 1 213 . 1 1 29 29 PRO CA C 13 63.3 0.05 . 1 . . . . . . . . 6512 1 214 . 1 1 29 29 PRO CB C 13 32.0 0.05 . 1 . . . . . . . . 6512 1 215 . 1 1 30 30 ALA H H 1 8.45 0.02 . 1 . . . . . . . . 6512 1 216 . 1 1 30 30 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 6512 1 217 . 1 1 30 30 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 6512 1 218 . 1 1 30 30 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 6512 1 219 . 1 1 30 30 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 6512 1 220 . 1 1 30 30 ALA C C 13 178.2 0.05 . 1 . . . . . . . . 6512 1 221 . 1 1 30 30 ALA CA C 13 53.0 0.05 . 1 . . . . . . . . 6512 1 222 . 1 1 30 30 ALA CB C 13 19.0 0.05 . 1 . . . . . . . . 6512 1 223 . 1 1 30 30 ALA N N 15 124.4 0.05 . 1 . . . . . . . . 6512 1 224 . 1 1 31 31 THR H H 1 7.97 0.02 . 1 . . . . . . . . 6512 1 225 . 1 1 31 31 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 6512 1 226 . 1 1 31 31 THR HB H 1 4.18 0.02 . 1 . . . . . . . . 6512 1 227 . 1 1 31 31 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 6512 1 228 . 1 1 31 31 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 6512 1 229 . 1 1 31 31 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 6512 1 230 . 1 1 31 31 THR C C 13 174.6 0.05 . 1 . . . . . . . . 6512 1 231 . 1 1 31 31 THR CA C 13 62.0 0.05 . 1 . . . . . . . . 6512 1 232 . 1 1 31 31 THR CB C 13 69.7 0.05 . 1 . . . . . . . . 6512 1 233 . 1 1 31 31 THR CG2 C 13 21.6 0.05 . 1 . . . . . . . . 6512 1 234 . 1 1 31 31 THR N N 15 111.7 0.05 . 1 . . . . . . . . 6512 1 235 . 1 1 32 32 GLU H H 1 8.13 0.02 . 1 . . . . . . . . 6512 1 236 . 1 1 32 32 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 6512 1 237 . 1 1 32 32 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 6512 1 238 . 1 1 32 32 GLU C C 13 175.4 0.05 . 1 . . . . . . . . 6512 1 239 . 1 1 32 32 GLU CA C 13 55.8 0.05 . 1 . . . . . . . . 6512 1 240 . 1 1 32 32 GLU CB C 13 28.7 0.05 . 1 . . . . . . . . 6512 1 241 . 1 1 32 32 GLU N N 15 121.9 0.05 . 1 . . . . . . . . 6512 1 242 . 1 1 33 33 PHE H H 1 8.14 0.02 . 1 . . . . . . . . 6512 1 243 . 1 1 33 33 PHE HA H 1 4.54 0.02 . 1 . . . . . . . . 6512 1 244 . 1 1 33 33 PHE HB2 H 1 2.98 0.02 . 2 . . . . . . . . 6512 1 245 . 1 1 33 33 PHE C C 13 175.3 0.05 . 1 . . . . . . . . 6512 1 246 . 1 1 33 33 PHE CA C 13 57.8 0.05 . 1 . . . . . . . . 6512 1 247 . 1 1 33 33 PHE CB C 13 39.6 0.05 . 1 . . . . . . . . 6512 1 248 . 1 1 33 33 PHE N N 15 121.0 0.05 . 1 . . . . . . . . 6512 1 249 . 1 1 34 34 PHE H H 1 8.12 0.02 . 1 . . . . . . . . 6512 1 250 . 1 1 34 34 PHE HA H 1 4.62 0.02 . 1 . . . . . . . . 6512 1 251 . 1 1 34 34 PHE HB2 H 1 2.99 0.02 . 2 . . . . . . . . 6512 1 252 . 1 1 34 34 PHE HB3 H 1 3.12 0.02 . 2 . . . . . . . . 6512 1 253 . 1 1 34 34 PHE C C 13 175.4 0.05 . 1 . . . . . . . . 6512 1 254 . 1 1 34 34 PHE CA C 13 57.6 0.05 . 1 . . . . . . . . 6512 1 255 . 1 1 34 34 PHE CB C 13 39.5 0.05 . 1 . . . . . . . . 6512 1 256 . 1 1 34 34 PHE N N 15 121.5 0.05 . 1 . . . . . . . . 6512 1 257 . 1 1 35 35 SER H H 1 8.24 0.02 . 1 . . . . . . . . 6512 1 258 . 1 1 35 35 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 6512 1 259 . 1 1 35 35 SER HB2 H 1 3.86 0.02 . 2 . . . . . . . . 6512 1 260 . 1 1 35 35 SER C C 13 174.8 0.05 . 1 . . . . . . . . 6512 1 261 . 1 1 35 35 SER CA C 13 58.0 0.05 . 1 . . . . . . . . 6512 1 262 . 1 1 35 35 SER CB C 13 63.8 0.05 . 1 . . . . . . . . 6512 1 263 . 1 1 35 35 SER N N 15 118.4 0.05 . 1 . . . . . . . . 6512 1 264 . 1 1 36 36 THR H H 1 8.23 0.02 . 1 . . . . . . . . 6512 1 265 . 1 1 36 36 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 6512 1 266 . 1 1 36 36 THR HB H 1 4.23 0.02 . 1 . . . . . . . . 6512 1 267 . 1 1 36 36 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 6512 1 268 . 1 1 36 36 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 6512 1 269 . 1 1 36 36 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 6512 1 270 . 1 1 36 36 THR C C 13 174.7 0.05 . 1 . . . . . . . . 6512 1 271 . 1 1 36 36 THR CA C 13 62.0 0.05 . 1 . . . . . . . . 6512 1 272 . 1 1 36 36 THR CB C 13 69.7 0.05 . 1 . . . . . . . . 6512 1 273 . 1 1 36 36 THR CG2 C 13 21.5 0.05 . 1 . . . . . . . . 6512 1 274 . 1 1 36 36 THR N N 15 116.2 0.05 . 1 . . . . . . . . 6512 1 275 . 1 1 37 37 LYS H H 1 8.25 0.02 . 1 . . . . . . . . 6512 1 276 . 1 1 37 37 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 277 . 1 1 37 37 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 6512 1 278 . 1 1 37 37 LYS HG2 H 1 1.44 0.02 . 2 . . . . . . . . 6512 1 279 . 1 1 37 37 LYS C C 13 176.3 0.05 . 1 . . . . . . . . 6512 1 280 . 1 1 37 37 LYS CA C 13 56.4 0.05 . 1 . . . . . . . . 6512 1 281 . 1 1 37 37 LYS CB C 13 32.8 0.05 . 1 . . . . . . . . 6512 1 282 . 1 1 37 37 LYS CG C 13 24.6 0.05 . 1 . . . . . . . . 6512 1 283 . 1 1 37 37 LYS CD C 13 27.9 0.05 . 1 . . . . . . . . 6512 1 284 . 1 1 37 37 LYS CE C 13 41.4 0.05 . 1 . . . . . . . . 6512 1 285 . 1 1 37 37 LYS N N 15 123.4 0.05 . 1 . . . . . . . . 6512 1 286 . 1 1 38 38 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 6512 1 287 . 1 1 38 38 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 6512 1 288 . 1 1 38 38 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 6512 1 289 . 1 1 38 38 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 6512 1 290 . 1 1 38 38 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 6512 1 291 . 1 1 38 38 ALA C C 13 177.3 0.05 . 1 . . . . . . . . 6512 1 292 . 1 1 38 38 ALA CA C 13 52.3 0.05 . 1 . . . . . . . . 6512 1 293 . 1 1 38 38 ALA CB C 13 19.0 0.05 . 1 . . . . . . . . 6512 1 294 . 1 1 38 38 ALA N N 15 125.1 0.05 . 1 . . . . . . . . 6512 1 295 . 1 1 39 39 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 6512 1 296 . 1 1 39 39 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 6512 1 297 . 1 1 39 39 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 6512 1 298 . 1 1 39 39 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 6512 1 299 . 1 1 39 39 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 6512 1 300 . 1 1 39 39 ALA C C 13 177.6 0.05 . 1 . . . . . . . . 6512 1 301 . 1 1 39 39 ALA CA C 13 52.2 0.05 . 1 . . . . . . . . 6512 1 302 . 1 1 39 39 ALA CB C 13 19.0 0.05 . 1 . . . . . . . . 6512 1 303 . 1 1 39 39 ALA N N 15 123.8 0.05 . 1 . . . . . . . . 6512 1 304 . 1 1 40 40 LYS H H 1 8.29 0.02 . 1 . . . . . . . . 6512 1 305 . 1 1 40 40 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 6512 1 306 . 1 1 40 40 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 6512 1 307 . 1 1 40 40 LYS HG2 H 1 1.44 0.02 . 2 . . . . . . . . 6512 1 308 . 1 1 40 40 LYS C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 309 . 1 1 40 40 LYS CA C 13 56.1 0.05 . 1 . . . . . . . . 6512 1 310 . 1 1 40 40 LYS CB C 13 33.0 0.05 . 1 . . . . . . . . 6512 1 311 . 1 1 40 40 LYS N N 15 121.2 0.05 . 1 . . . . . . . . 6512 1 312 . 1 1 41 41 LYS H H 1 8.43 0.02 . 1 . . . . . . . . 6512 1 313 . 1 1 41 41 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 6512 1 314 . 1 1 41 41 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 6512 1 315 . 1 1 41 41 LYS HG2 H 1 1.65 0.02 . 2 . . . . . . . . 6512 1 316 . 1 1 41 41 LYS HD2 H 1 1.65 0.02 . 2 . . . . . . . . 6512 1 317 . 1 1 41 41 LYS C C 13 174.5 0.05 . 1 . . . . . . . . 6512 1 318 . 1 1 41 41 LYS CA C 13 54.3 0.05 . 1 . . . . . . . . 6512 1 319 . 1 1 41 41 LYS CB C 13 32.5 0.05 . 1 . . . . . . . . 6512 1 320 . 1 1 41 41 LYS N N 15 124.5 0.05 . 1 . . . . . . . . 6512 1 321 . 1 1 42 42 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 6512 1 322 . 1 1 42 42 PRO HB2 H 1 2.31 0.02 . 2 . . . . . . . . 6512 1 323 . 1 1 42 42 PRO HG2 H 1 1.89 0.02 . 2 . . . . . . . . 6512 1 324 . 1 1 42 42 PRO C C 13 176.8 0.05 . 1 . . . . . . . . 6512 1 325 . 1 1 42 42 PRO CA C 13 63.0 0.05 . 1 . . . . . . . . 6512 1 326 . 1 1 42 42 PRO CB C 13 31.9 0.05 . 1 . . . . . . . . 6512 1 327 . 1 1 43 43 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 6512 1 328 . 1 1 43 43 GLU HA H 1 4.32 0.02 . 1 . . . . . . . . 6512 1 329 . 1 1 43 43 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 6512 1 330 . 1 1 43 43 GLU C C 13 175.8 0.05 . 1 . . . . . . . . 6512 1 331 . 1 1 43 43 GLU CA C 13 55.6 0.05 . 1 . . . . . . . . 6512 1 332 . 1 1 43 43 GLU CB C 13 28.9 0.05 . 1 . . . . . . . . 6512 1 333 . 1 1 43 43 GLU N N 15 121.2 0.05 . 1 . . . . . . . . 6512 1 334 . 1 1 44 44 ALA H H 1 8.41 0.02 . 1 . . . . . . . . 6512 1 335 . 1 1 44 44 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 336 . 1 1 44 44 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 337 . 1 1 44 44 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 338 . 1 1 44 44 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 339 . 1 1 44 44 ALA C C 13 177.6 0.05 . 1 . . . . . . . . 6512 1 340 . 1 1 44 44 ALA CA C 13 52.4 0.05 . 1 . . . . . . . . 6512 1 341 . 1 1 44 44 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . 6512 1 342 . 1 1 44 44 ALA N N 15 126.2 0.05 . 1 . . . . . . . . 6512 1 343 . 1 1 45 45 LYS H H 1 8.37 0.02 . 1 . . . . . . . . 6512 1 344 . 1 1 45 45 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 6512 1 345 . 1 1 45 45 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 6512 1 346 . 1 1 45 45 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 6512 1 347 . 1 1 45 45 LYS C C 13 176.6 0.05 . 1 . . . . . . . . 6512 1 348 . 1 1 45 45 LYS CA C 13 56.3 0.05 . 1 . . . . . . . . 6512 1 349 . 1 1 45 45 LYS CB C 13 32.9 0.05 . 1 . . . . . . . . 6512 1 350 . 1 1 45 45 LYS CG C 13 24.7 0.05 . 1 . . . . . . . . 6512 1 351 . 1 1 45 45 LYS CE C 13 41.3 0.05 . 1 . . . . . . . . 6512 1 352 . 1 1 45 45 LYS N N 15 121.4 0.05 . 1 . . . . . . . . 6512 1 353 . 1 1 46 46 ARG H H 1 8.45 0.02 . 1 . . . . . . . . 6512 1 354 . 1 1 46 46 ARG HA H 1 4.32 0.02 . 1 . . . . . . . . 6512 1 355 . 1 1 46 46 ARG HB2 H 1 1.84 0.02 . 2 . . . . . . . . 6512 1 356 . 1 1 46 46 ARG HG2 H 1 1.69 0.02 . 2 . . . . . . . . 6512 1 357 . 1 1 46 46 ARG C C 13 176.2 0.05 . 1 . . . . . . . . 6512 1 358 . 1 1 46 46 ARG CA C 13 56.2 0.05 . 1 . . . . . . . . 6512 1 359 . 1 1 46 46 ARG CB C 13 30.7 0.05 . 1 . . . . . . . . 6512 1 360 . 1 1 46 46 ARG CG C 13 26.8 0.05 . 1 . . . . . . . . 6512 1 361 . 1 1 46 46 ARG CD C 13 42.7 0.05 . 1 . . . . . . . . 6512 1 362 . 1 1 46 46 ARG N N 15 123.0 0.05 . 1 . . . . . . . . 6512 1 363 . 1 1 47 47 GLU H H 1 8.45 0.02 . 1 . . . . . . . . 6512 1 364 . 1 1 47 47 GLU HA H 1 4.36 0.02 . 1 . . . . . . . . 6512 1 365 . 1 1 47 47 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 6512 1 366 . 1 1 47 47 GLU C C 13 175.6 0.05 . 1 . . . . . . . . 6512 1 367 . 1 1 47 47 GLU CA C 13 55.6 0.05 . 1 . . . . . . . . 6512 1 368 . 1 1 47 47 GLU CB C 13 28.9 0.05 . 1 . . . . . . . . 6512 1 369 . 1 1 47 47 GLU N N 15 122.3 0.05 . 1 . . . . . . . . 6512 1 370 . 1 1 48 48 ALA H H 1 8.39 0.02 . 1 . . . . . . . . 6512 1 371 . 1 1 48 48 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 372 . 1 1 48 48 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 6512 1 373 . 1 1 48 48 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 6512 1 374 . 1 1 48 48 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 6512 1 375 . 1 1 48 48 ALA C C 13 177.5 0.05 . 1 . . . . . . . . 6512 1 376 . 1 1 48 48 ALA CA C 13 52.4 0.05 . 1 . . . . . . . . 6512 1 377 . 1 1 48 48 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . 6512 1 378 . 1 1 48 48 ALA N N 15 125.9 0.05 . 1 . . . . . . . . 6512 1 379 . 1 1 49 49 ILE H H 1 8.17 0.02 . 1 . . . . . . . . 6512 1 380 . 1 1 49 49 ILE HA H 1 4.15 0.02 . 1 . . . . . . . . 6512 1 381 . 1 1 49 49 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 6512 1 382 . 1 1 49 49 ILE HG12 H 1 1.51 0.02 . 2 . . . . . . . . 6512 1 383 . 1 1 49 49 ILE HG13 H 1 1.21 0.02 . 2 . . . . . . . . 6512 1 384 . 1 1 49 49 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 6512 1 385 . 1 1 49 49 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 6512 1 386 . 1 1 49 49 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 6512 1 387 . 1 1 49 49 ILE C C 13 176.2 0.05 . 1 . . . . . . . . 6512 1 388 . 1 1 49 49 ILE CA C 13 61.1 0.05 . 1 . . . . . . . . 6512 1 389 . 1 1 49 49 ILE CB C 13 38.3 0.05 . 1 . . . . . . . . 6512 1 390 . 1 1 49 49 ILE CG1 C 13 27.2 0.05 . 1 . . . . . . . . 6512 1 391 . 1 1 49 49 ILE CG2 C 13 17.1 0.05 . 1 . . . . . . . . 6512 1 392 . 1 1 49 49 ILE N N 15 121.1 0.05 . 1 . . . . . . . . 6512 1 393 . 1 1 50 50 VAL H H 1 8.25 0.02 . 1 . . . . . . . . 6512 1 394 . 1 1 50 50 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . 6512 1 395 . 1 1 50 50 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 6512 1 396 . 1 1 50 50 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 6512 1 397 . 1 1 50 50 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 6512 1 398 . 1 1 50 50 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 6512 1 399 . 1 1 50 50 VAL C C 13 176.2 0.05 . 1 . . . . . . . . 6512 1 400 . 1 1 50 50 VAL CA C 13 62.3 0.05 . 1 . . . . . . . . 6512 1 401 . 1 1 50 50 VAL CB C 13 32.5 0.05 . 1 . . . . . . . . 6512 1 402 . 1 1 50 50 VAL CG1 C 13 20.7 0.05 . 2 . . . . . . . . 6512 1 403 . 1 1 50 50 VAL N N 15 125.6 0.05 . 1 . . . . . . . . 6512 1 404 . 1 1 51 51 LYS H H 1 8.41 0.02 . 1 . . . . . . . . 6512 1 405 . 1 1 51 51 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 6512 1 406 . 1 1 51 51 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 6512 1 407 . 1 1 51 51 LYS HG2 H 1 1.44 0.02 . 2 . . . . . . . . 6512 1 408 . 1 1 51 51 LYS C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 409 . 1 1 51 51 LYS CA C 13 56.5 0.05 . 1 . . . . . . . . 6512 1 410 . 1 1 51 51 LYS CB C 13 32.8 0.05 . 1 . . . . . . . . 6512 1 411 . 1 1 51 51 LYS CG C 13 24.7 0.05 . 1 . . . . . . . . 6512 1 412 . 1 1 51 51 LYS N N 15 126.2 0.05 . 1 . . . . . . . . 6512 1 413 . 1 1 52 52 ALA H H 1 8.37 0.02 . 1 . . . . . . . . 6512 1 414 . 1 1 52 52 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 6512 1 415 . 1 1 52 52 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 416 . 1 1 52 52 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 417 . 1 1 52 52 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 418 . 1 1 52 52 ALA C C 13 177.6 0.05 . 1 . . . . . . . . 6512 1 419 . 1 1 52 52 ALA CA C 13 52.7 0.05 . 1 . . . . . . . . 6512 1 420 . 1 1 52 52 ALA CB C 13 19.0 0.05 . 1 . . . . . . . . 6512 1 421 . 1 1 52 52 ALA N N 15 125.3 0.05 . 1 . . . . . . . . 6512 1 422 . 1 1 53 53 ASP H H 1 8.43 0.02 . 1 . . . . . . . . 6512 1 423 . 1 1 53 53 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 6512 1 424 . 1 1 53 53 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 6512 1 425 . 1 1 53 53 ASP C C 13 175.4 0.05 . 1 . . . . . . . . 6512 1 426 . 1 1 53 53 ASP CA C 13 53.0 0.05 . 1 . . . . . . . . 6512 1 427 . 1 1 53 53 ASP CB C 13 38.0 0.05 . 1 . . . . . . . . 6512 1 428 . 1 1 53 53 ASP N N 15 118.1 0.05 . 1 . . . . . . . . 6512 1 429 . 1 1 54 54 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 6512 1 430 . 1 1 54 54 GLU HA H 1 4.36 0.02 . 1 . . . . . . . . 6512 1 431 . 1 1 54 54 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 6512 1 432 . 1 1 54 54 GLU C C 13 175.8 0.05 . 1 . . . . . . . . 6512 1 433 . 1 1 54 54 GLU CA C 13 56.2 0.05 . 1 . . . . . . . . 6512 1 434 . 1 1 54 54 GLU CB C 13 28.5 0.05 . 1 . . . . . . . . 6512 1 435 . 1 1 54 54 GLU N N 15 120.8 0.05 . 1 . . . . . . . . 6512 1 436 . 1 1 55 55 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 6512 1 437 . 1 1 55 55 ASP HA H 1 4.73 0.02 . 1 . . . . . . . . 6512 1 438 . 1 1 55 55 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 6512 1 439 . 1 1 55 55 ASP C C 13 175.9 0.05 . 1 . . . . . . . . 6512 1 440 . 1 1 55 55 ASP CA C 13 53.1 0.05 . 1 . . . . . . . . 6512 1 441 . 1 1 55 55 ASP CB C 13 38.0 0.05 . 1 . . . . . . . . 6512 1 442 . 1 1 55 55 ASP N N 15 119.4 0.05 . 1 . . . . . . . . 6512 1 443 . 1 1 56 56 ASP H H 1 8.36 0.02 . 1 . . . . . . . . 6512 1 444 . 1 1 56 56 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 6512 1 445 . 1 1 56 56 ASP HB2 H 1 2.84 0.02 . 2 . . . . . . . . 6512 1 446 . 1 1 56 56 ASP C C 13 174.8 0.05 . 1 . . . . . . . . 6512 1 447 . 1 1 56 56 ASP CA C 13 53.7 0.05 . 1 . . . . . . . . 6512 1 448 . 1 1 56 56 ASP CB C 13 38.5 0.05 . 1 . . . . . . . . 6512 1 449 . 1 1 56 56 ASP N N 15 118.9 0.05 . 1 . . . . . . . . 6512 1 450 . 1 1 57 57 ASN H H 1 8.33 0.02 . 1 . . . . . . . . 6512 1 451 . 1 1 57 57 ASN HA H 1 4.70 0.02 . 1 . . . . . . . . 6512 1 452 . 1 1 57 57 ASN HB2 H 1 2.85 0.02 . 2 . . . . . . . . 6512 1 453 . 1 1 57 57 ASN C C 13 175.5 0.05 . 1 . . . . . . . . 6512 1 454 . 1 1 57 57 ASN CA C 13 53.1 0.05 . 1 . . . . . . . . 6512 1 455 . 1 1 57 57 ASN CB C 13 38.4 0.05 . 1 . . . . . . . . 6512 1 456 . 1 1 57 57 ASN N N 15 119.0 0.05 . 1 . . . . . . . . 6512 1 457 . 1 1 58 58 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 6512 1 458 . 1 1 58 58 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 459 . 1 1 58 58 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 6512 1 460 . 1 1 58 58 GLU C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 461 . 1 1 58 58 GLU CA C 13 56.6 0.05 . 1 . . . . . . . . 6512 1 462 . 1 1 58 58 GLU CB C 13 28.3 0.05 . 1 . . . . . . . . 6512 1 463 . 1 1 58 58 GLU N N 15 120.0 0.05 . 1 . . . . . . . . 6512 1 464 . 1 1 59 59 GLU H H 1 8.31 0.02 . 1 . . . . . . . . 6512 1 465 . 1 1 59 59 GLU HA H 1 4.37 0.02 . 1 . . . . . . . . 6512 1 466 . 1 1 59 59 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 6512 1 467 . 1 1 59 59 GLU C C 13 176.8 0.05 . 1 . . . . . . . . 6512 1 468 . 1 1 59 59 GLU CA C 13 56.0 0.05 . 1 . . . . . . . . 6512 1 469 . 1 1 59 59 GLU CB C 13 28.5 0.05 . 1 . . . . . . . . 6512 1 470 . 1 1 59 59 GLU N N 15 120.4 0.05 . 1 . . . . . . . . 6512 1 471 . 1 1 60 60 THR H H 1 8.17 0.02 . 1 . . . . . . . . 6512 1 472 . 1 1 60 60 THR HA H 1 4.35 0.02 . 1 . . . . . . . . 6512 1 473 . 1 1 60 60 THR HB H 1 4.22 0.02 . 1 . . . . . . . . 6512 1 474 . 1 1 60 60 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 6512 1 475 . 1 1 60 60 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 6512 1 476 . 1 1 60 60 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 6512 1 477 . 1 1 60 60 THR C C 13 175.0 0.05 . 1 . . . . . . . . 6512 1 478 . 1 1 60 60 THR CA C 13 62.5 0.05 . 1 . . . . . . . . 6512 1 479 . 1 1 60 60 THR CB C 13 69.8 0.05 . 1 . . . . . . . . 6512 1 480 . 1 1 60 60 THR CG2 C 13 21.6 0.05 . 1 . . . . . . . . 6512 1 481 . 1 1 60 60 THR N N 15 114.9 0.05 . 1 . . . . . . . . 6512 1 482 . 1 1 61 61 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 6512 1 483 . 1 1 61 61 LEU HA H 1 4.27 0.02 . 1 . . . . . . . . 6512 1 484 . 1 1 61 61 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 6512 1 485 . 1 1 61 61 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 6512 1 486 . 1 1 61 61 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 487 . 1 1 61 61 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 488 . 1 1 61 61 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 489 . 1 1 61 61 LEU C C 13 177.8 0.05 . 1 . . . . . . . . 6512 1 490 . 1 1 61 61 LEU CA C 13 56.2 0.05 . 1 . . . . . . . . 6512 1 491 . 1 1 61 61 LEU CB C 13 41.9 0.05 . 1 . . . . . . . . 6512 1 492 . 1 1 61 61 LEU CG C 13 26.5 0.05 . 1 . . . . . . . . 6512 1 493 . 1 1 61 61 LEU N N 15 124.0 0.05 . 1 . . . . . . . . 6512 1 494 . 1 1 62 62 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 6512 1 495 . 1 1 62 62 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 6512 1 496 . 1 1 62 62 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 6512 1 497 . 1 1 62 62 LYS HG2 H 1 1.48 0.02 . 2 . . . . . . . . 6512 1 498 . 1 1 62 62 LYS C C 13 176.6 0.05 . 1 . . . . . . . . 6512 1 499 . 1 1 62 62 LYS CA C 13 58.0 0.05 . 1 . . . . . . . . 6512 1 500 . 1 1 62 62 LYS CB C 13 32.6 0.05 . 1 . . . . . . . . 6512 1 501 . 1 1 62 62 LYS N N 15 120.8 0.05 . 1 . . . . . . . . 6512 1 502 . 1 1 63 63 GLN HA H 1 4.27 0.02 . 1 . . . . . . . . 6512 1 503 . 1 1 63 63 GLN HB2 H 1 2.06 0.02 . 2 . . . . . . . . 6512 1 504 . 1 1 63 63 GLN C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 505 . 1 1 63 63 GLN CA C 13 56.6 0.05 . 1 . . . . . . . . 6512 1 506 . 1 1 63 63 GLN CB C 13 29.1 0.05 . 1 . . . . . . . . 6512 1 507 . 1 1 63 63 GLN CG C 13 32.2 0.05 . 1 . . . . . . . . 6512 1 508 . 1 1 64 64 ARG H H 1 8.34 0.02 . 1 . . . . . . . . 6512 1 509 . 1 1 64 64 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 6512 1 510 . 1 1 64 64 ARG HB2 H 1 1.86 0.02 . 2 . . . . . . . . 6512 1 511 . 1 1 64 64 ARG C C 13 176.8 0.05 . 1 . . . . . . . . 6512 1 512 . 1 1 64 64 ARG CA C 13 56.8 0.05 . 1 . . . . . . . . 6512 1 513 . 1 1 64 64 ARG CB C 13 30.5 0.05 . 1 . . . . . . . . 6512 1 514 . 1 1 64 64 ARG CG C 13 27.1 0.05 . 1 . . . . . . . . 6512 1 515 . 1 1 64 64 ARG N N 15 121.9 0.05 . 1 . . . . . . . . 6512 1 516 . 1 1 65 65 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 6512 1 517 . 1 1 65 65 LEU HA H 1 4.39 0.02 . 1 . . . . . . . . 6512 1 518 . 1 1 65 65 LEU HB2 H 1 1.68 0.02 . 2 . . . . . . . . 6512 1 519 . 1 1 65 65 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 6512 1 520 . 1 1 65 65 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 521 . 1 1 65 65 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 522 . 1 1 65 65 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 523 . 1 1 65 65 LEU C C 13 177.9 0.05 . 1 . . . . . . . . 6512 1 524 . 1 1 65 65 LEU CA C 13 55.6 0.05 . 1 . . . . . . . . 6512 1 525 . 1 1 65 65 LEU CB C 13 42.0 0.05 . 1 . . . . . . . . 6512 1 526 . 1 1 65 65 LEU CG C 13 26.5 0.05 . 1 . . . . . . . . 6512 1 527 . 1 1 65 65 LEU CD1 C 13 24.5 0.05 . 2 . . . . . . . . 6512 1 528 . 1 1 65 65 LEU CD2 C 13 23.0 0.05 . 2 . . . . . . . . 6512 1 529 . 1 1 65 65 LEU N N 15 122.6 0.05 . 1 . . . . . . . . 6512 1 530 . 1 1 66 66 THR H H 1 8.11 0.02 . 1 . . . . . . . . 6512 1 531 . 1 1 66 66 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 6512 1 532 . 1 1 66 66 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 6512 1 533 . 1 1 66 66 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 534 . 1 1 66 66 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 535 . 1 1 66 66 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 536 . 1 1 66 66 THR C C 13 174.6 0.05 . 1 . . . . . . . . 6512 1 537 . 1 1 66 66 THR CA C 13 62.6 0.05 . 1 . . . . . . . . 6512 1 538 . 1 1 66 66 THR CB C 13 69.7 0.05 . 1 . . . . . . . . 6512 1 539 . 1 1 66 66 THR CG2 C 13 21.3 0.05 . 1 . . . . . . . . 6512 1 540 . 1 1 66 66 THR N N 15 114.6 0.05 . 1 . . . . . . . . 6512 1 541 . 1 1 67 67 ASN H H 1 8.40 0.02 . 1 . . . . . . . . 6512 1 542 . 1 1 67 67 ASN HA H 1 4.70 0.02 . 1 . . . . . . . . 6512 1 543 . 1 1 67 67 ASN HB2 H 1 2.91 0.02 . 2 . . . . . . . . 6512 1 544 . 1 1 67 67 ASN C C 13 175.6 0.05 . 1 . . . . . . . . 6512 1 545 . 1 1 67 67 ASN CA C 13 53.7 0.05 . 1 . . . . . . . . 6512 1 546 . 1 1 67 67 ASN CB C 13 38.4 0.05 . 1 . . . . . . . . 6512 1 547 . 1 1 67 67 ASN N N 15 120.7 0.05 . 1 . . . . . . . . 6512 1 548 . 1 1 68 68 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 6512 1 549 . 1 1 68 68 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 6512 1 550 . 1 1 68 68 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 6512 1 551 . 1 1 68 68 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 6512 1 552 . 1 1 68 68 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 6512 1 553 . 1 1 68 68 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 6512 1 554 . 1 1 68 68 LEU C C 13 177.6 0.05 . 1 . . . . . . . . 6512 1 555 . 1 1 68 68 LEU CA C 13 55.7 0.05 . 1 . . . . . . . . 6512 1 556 . 1 1 68 68 LEU CB C 13 42.1 0.05 . 1 . . . . . . . . 6512 1 557 . 1 1 68 68 LEU CG C 13 26.5 0.05 . 1 . . . . . . . . 6512 1 558 . 1 1 68 68 LEU CD1 C 13 24.4 0.05 . 1 . . . . . . . . 6512 1 559 . 1 1 68 68 LEU CD2 C 13 23.2 0.05 . 1 . . . . . . . . 6512 1 560 . 1 1 69 69 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 6512 1 561 . 1 1 69 69 GLU HA H 1 4.34 0.02 . 1 . . . . . . . . 6512 1 562 . 1 1 69 69 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 6512 1 563 . 1 1 69 69 GLU C C 13 176.1 0.05 . 1 . . . . . . . . 6512 1 564 . 1 1 69 69 GLU CA C 13 56.0 0.05 . 1 . . . . . . . . 6512 1 565 . 1 1 69 69 GLU CB C 13 28.5 0.05 . 1 . . . . . . . . 6512 1 566 . 1 1 69 69 GLU N N 15 120.2 0.05 . 1 . . . . . . . . 6512 1 567 . 1 1 70 70 LYS H H 1 8.38 0.02 . 1 . . . . . . . . 6512 1 568 . 1 1 70 70 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 6512 1 569 . 1 1 70 70 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 6512 1 570 . 1 1 70 70 LYS HG2 H 1 1.50 0.02 . 2 . . . . . . . . 6512 1 571 . 1 1 70 70 LYS C C 13 176.5 0.05 . 1 . . . . . . . . 6512 1 572 . 1 1 70 70 LYS CA C 13 56.4 0.05 . 1 . . . . . . . . 6512 1 573 . 1 1 70 70 LYS CB C 13 30.7 0.05 . 1 . . . . . . . . 6512 1 574 . 1 1 70 70 LYS CG C 13 24.7 0.05 . 1 . . . . . . . . 6512 1 575 . 1 1 70 70 LYS CD C 13 29.0 0.05 . 1 . . . . . . . . 6512 1 576 . 1 1 70 70 LYS CE C 13 41.5 0.05 . 1 . . . . . . . . 6512 1 577 . 1 1 70 70 LYS N N 15 122.8 0.05 . 1 . . . . . . . . 6512 1 578 . 1 1 71 71 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 6512 1 579 . 1 1 71 71 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 580 . 1 1 71 71 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 6512 1 581 . 1 1 71 71 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 6512 1 582 . 1 1 71 71 LYS C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 583 . 1 1 71 71 LYS CA C 13 56.5 0.05 . 1 . . . . . . . . 6512 1 584 . 1 1 71 71 LYS CB C 13 32.8 0.05 . 1 . . . . . . . . 6512 1 585 . 1 1 71 71 LYS N N 15 123.0 0.05 . 1 . . . . . . . . 6512 1 586 . 1 1 72 72 ILE H H 1 8.22 0.02 . 1 . . . . . . . . 6512 1 587 . 1 1 72 72 ILE HA H 1 4.24 0.02 . 1 . . . . . . . . 6512 1 588 . 1 1 72 72 ILE HB H 1 1.88 0.02 . 1 . . . . . . . . 6512 1 589 . 1 1 72 72 ILE HG12 H 1 1.50 0.02 . 2 . . . . . . . . 6512 1 590 . 1 1 72 72 ILE HG13 H 1 1.20 0.02 . 2 . . . . . . . . 6512 1 591 . 1 1 72 72 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 6512 1 592 . 1 1 72 72 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 6512 1 593 . 1 1 72 72 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 6512 1 594 . 1 1 72 72 ILE C C 13 175.7 0.05 . 1 . . . . . . . . 6512 1 595 . 1 1 72 72 ILE CA C 13 61.0 0.05 . 1 . . . . . . . . 6512 1 596 . 1 1 72 72 ILE CB C 13 38.6 0.05 . 1 . . . . . . . . 6512 1 597 . 1 1 72 72 ILE CG1 C 13 27.0 0.05 . 1 . . . . . . . . 6512 1 598 . 1 1 72 72 ILE CG2 C 13 17.2 0.05 . 1 . . . . . . . . 6512 1 599 . 1 1 72 72 ILE N N 15 122.2 0.05 . 1 . . . . . . . . 6512 1 600 . 1 1 73 73 THR H H 1 8.29 0.02 . 1 . . . . . . . . 6512 1 601 . 1 1 73 73 THR HA H 1 4.34 0.02 . 1 . . . . . . . . 6512 1 602 . 1 1 73 73 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 6512 1 603 . 1 1 73 73 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 6512 1 604 . 1 1 73 73 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 6512 1 605 . 1 1 73 73 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 6512 1 606 . 1 1 73 73 THR C C 13 174.0 0.05 . 1 . . . . . . . . 6512 1 607 . 1 1 73 73 THR CA C 13 61.7 0.05 . 1 . . . . . . . . 6512 1 608 . 1 1 73 73 THR CB C 13 69.8 0.05 . 1 . . . . . . . . 6512 1 609 . 1 1 73 73 THR CG2 C 13 21.4 0.05 . 1 . . . . . . . . 6512 1 610 . 1 1 73 73 THR N N 15 118.8 0.05 . 1 . . . . . . . . 6512 1 611 . 1 1 74 74 ASN H H 1 8.50 0.02 . 1 . . . . . . . . 6512 1 612 . 1 1 74 74 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 6512 1 613 . 1 1 74 74 ASN HB2 H 1 2.80 0.02 . 2 . . . . . . . . 6512 1 614 . 1 1 74 74 ASN C C 13 176.7 0.05 . 1 . . . . . . . . 6512 1 615 . 1 1 74 74 ASN CA C 13 53.2 0.05 . 1 . . . . . . . . 6512 1 616 . 1 1 74 74 ASN CB C 13 38.8 0.05 . 1 . . . . . . . . 6512 1 617 . 1 1 74 74 ASN N N 15 121.9 0.05 . 1 . . . . . . . . 6512 1 618 . 1 1 75 75 VAL H H 1 8.20 0.02 . 1 . . . . . . . . 6512 1 619 . 1 1 75 75 VAL HA H 1 4.21 0.02 . 1 . . . . . . . . 6512 1 620 . 1 1 75 75 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 6512 1 621 . 1 1 75 75 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 6512 1 622 . 1 1 75 75 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 6512 1 623 . 1 1 75 75 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 6512 1 624 . 1 1 75 75 VAL C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 625 . 1 1 75 75 VAL CA C 13 62.5 0.05 . 1 . . . . . . . . 6512 1 626 . 1 1 75 75 VAL CB C 13 32.6 0.05 . 1 . . . . . . . . 6512 1 627 . 1 1 75 75 VAL CG1 C 13 20.6 0.05 . 1 . . . . . . . . 6512 1 628 . 1 1 75 75 VAL N N 15 120.6 0.05 . 1 . . . . . . . . 6512 1 629 . 1 1 76 76 THR H H 1 8.32 0.02 . 1 . . . . . . . . 6512 1 630 . 1 1 76 76 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 6512 1 631 . 1 1 76 76 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 6512 1 632 . 1 1 76 76 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 633 . 1 1 76 76 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 634 . 1 1 76 76 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 635 . 1 1 76 76 THR C C 13 174.8 0.05 . 1 . . . . . . . . 6512 1 636 . 1 1 76 76 THR CA C 13 62.0 0.05 . 1 . . . . . . . . 6512 1 637 . 1 1 76 76 THR CB C 13 69.8 0.05 . 1 . . . . . . . . 6512 1 638 . 1 1 76 76 THR CG2 C 13 21.5 0.05 . 1 . . . . . . . . 6512 1 639 . 1 1 76 76 THR N N 15 118.1 0.05 . 1 . . . . . . . . 6512 1 640 . 1 1 77 77 THR H H 1 8.15 0.02 . 1 . . . . . . . . 6512 1 641 . 1 1 77 77 THR HA H 1 4.34 0.02 . 1 . . . . . . . . 6512 1 642 . 1 1 77 77 THR HB H 1 4.22 0.02 . 1 . . . . . . . . 6512 1 643 . 1 1 77 77 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 6512 1 644 . 1 1 77 77 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 6512 1 645 . 1 1 77 77 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 6512 1 646 . 1 1 77 77 THR C C 13 174.5 0.05 . 1 . . . . . . . . 6512 1 647 . 1 1 77 77 THR CA C 13 62.0 0.05 . 1 . . . . . . . . 6512 1 648 . 1 1 77 77 THR CB C 13 69.8 0.05 . 1 . . . . . . . . 6512 1 649 . 1 1 77 77 THR CG2 C 13 21.5 0.05 . 1 . . . . . . . . 6512 1 650 . 1 1 77 77 THR N N 15 116.8 0.05 . 1 . . . . . . . . 6512 1 651 . 1 1 78 78 LYS H H 1 8.28 0.02 . 1 . . . . . . . . 6512 1 652 . 1 1 78 78 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 653 . 1 1 78 78 LYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . 6512 1 654 . 1 1 78 78 LYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 6512 1 655 . 1 1 78 78 LYS C C 13 176.3 0.05 . 1 . . . . . . . . 6512 1 656 . 1 1 78 78 LYS CA C 13 56.6 0.05 . 1 . . . . . . . . 6512 1 657 . 1 1 78 78 LYS CB C 13 32.8 0.05 . 1 . . . . . . . . 6512 1 658 . 1 1 78 78 LYS N N 15 123.6 0.05 . 1 . . . . . . . . 6512 1 659 . 1 1 79 79 PHE H H 1 8.39 0.02 . 1 . . . . . . . . 6512 1 660 . 1 1 79 79 PHE HA H 1 4.64 0.02 . 1 . . . . . . . . 6512 1 661 . 1 1 79 79 PHE HB2 H 1 3.10 0.02 . 2 . . . . . . . . 6512 1 662 . 1 1 79 79 PHE HB3 H 1 2.97 0.02 . 2 . . . . . . . . 6512 1 663 . 1 1 79 79 PHE C C 13 176.5 0.05 . 1 . . . . . . . . 6512 1 664 . 1 1 79 79 PHE CA C 13 58.5 0.05 . 1 . . . . . . . . 6512 1 665 . 1 1 79 79 PHE N N 15 120.2 0.05 . 1 . . . . . . . . 6512 1 666 . 1 1 80 80 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 667 . 1 1 80 80 GLU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 6512 1 668 . 1 1 80 80 GLU C C 13 175.3 0.05 . 1 . . . . . . . . 6512 1 669 . 1 1 80 80 GLU CA C 13 56.1 0.05 . 1 . . . . . . . . 6512 1 670 . 1 1 80 80 GLU CB C 13 28.5 0.05 . 1 . . . . . . . . 6512 1 671 . 1 1 80 80 GLU CG C 13 37.1 0.05 . 1 . . . . . . . . 6512 1 672 . 1 1 81 81 GLN H H 1 8.20 0.02 . 1 . . . . . . . . 6512 1 673 . 1 1 81 81 GLN HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 674 . 1 1 81 81 GLN HB2 H 1 2.00 0.02 . 2 . . . . . . . . 6512 1 675 . 1 1 81 81 GLN C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 676 . 1 1 81 81 GLN CA C 13 56.4 0.05 . 1 . . . . . . . . 6512 1 677 . 1 1 81 81 GLN CB C 13 29.2 0.05 . 1 . . . . . . . . 6512 1 678 . 1 1 81 81 GLN CG C 13 33.1 0.05 . 1 . . . . . . . . 6512 1 679 . 1 1 81 81 GLN N N 15 122.4 0.05 . 1 . . . . . . . . 6512 1 680 . 1 1 82 82 ILE H H 1 8.32 0.02 . 1 . . . . . . . . 6512 1 681 . 1 1 82 82 ILE HA H 1 4.14 0.02 . 1 . . . . . . . . 6512 1 682 . 1 1 82 82 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 6512 1 683 . 1 1 82 82 ILE HG12 H 1 1.48 0.02 . 2 . . . . . . . . 6512 1 684 . 1 1 82 82 ILE HG13 H 1 1.20 0.02 . 2 . . . . . . . . 6512 1 685 . 1 1 82 82 ILE C C 13 176.6 0.05 . 1 . . . . . . . . 6512 1 686 . 1 1 82 82 ILE CA C 13 61.1 0.05 . 1 . . . . . . . . 6512 1 687 . 1 1 82 82 ILE CB C 13 38.6 0.05 . 1 . . . . . . . . 6512 1 688 . 1 1 82 82 ILE CG1 C 13 27.5 0.05 . 1 . . . . . . . . 6512 1 689 . 1 1 82 82 ILE CG2 C 13 17.2 0.05 . 1 . . . . . . . . 6512 1 690 . 1 1 82 82 ILE N N 15 123.2 0.05 . 1 . . . . . . . . 6512 1 691 . 1 1 83 83 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 6512 1 692 . 1 1 83 83 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 693 . 1 1 83 83 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 6512 1 694 . 1 1 83 83 GLU C C 13 176.0 0.05 . 1 . . . . . . . . 6512 1 695 . 1 1 83 83 GLU CA C 13 56.6 0.05 . 1 . . . . . . . . 6512 1 696 . 1 1 83 83 GLU CB C 13 28.7 0.05 . 1 . . . . . . . . 6512 1 697 . 1 1 83 83 GLU N N 15 124.2 0.05 . 1 . . . . . . . . 6512 1 698 . 1 1 84 84 LYS H H 1 8.32 0.02 . 1 . . . . . . . . 6512 1 699 . 1 1 84 84 LYS HA H 1 4.33 0.02 . 1 . . . . . . . . 6512 1 700 . 1 1 84 84 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 6512 1 701 . 1 1 84 84 LYS HB3 H 1 1.77 0.02 . 2 . . . . . . . . 6512 1 702 . 1 1 84 84 LYS C C 13 176.6 0.05 . 1 . . . . . . . . 6512 1 703 . 1 1 84 84 LYS CA C 13 56.5 0.05 . 1 . . . . . . . . 6512 1 704 . 1 1 84 84 LYS CB C 13 32.8 0.05 . 1 . . . . . . . . 6512 1 705 . 1 1 84 84 LYS N N 15 123.2 0.05 . 1 . . . . . . . . 6512 1 706 . 1 1 85 85 CYS H H 1 8.39 0.02 . 1 . . . . . . . . 6512 1 707 . 1 1 85 85 CYS HA H 1 4.35 0.02 . 1 . . . . . . . . 6512 1 708 . 1 1 85 85 CYS HB2 H 1 2.95 0.02 . 2 . . . . . . . . 6512 1 709 . 1 1 85 85 CYS C C 13 174.5 0.05 . 1 . . . . . . . . 6512 1 710 . 1 1 85 85 CYS CA C 13 58.5 0.05 . 1 . . . . . . . . 6512 1 711 . 1 1 85 85 CYS CB C 13 27.9 0.05 . 1 . . . . . . . . 6512 1 712 . 1 1 85 85 CYS N N 15 120.2 0.05 . 1 . . . . . . . . 6512 1 713 . 1 1 86 86 CYS H H 1 8.50 0.02 . 1 . . . . . . . . 6512 1 714 . 1 1 86 86 CYS HA H 1 4.31 0.02 . 1 . . . . . . . . 6512 1 715 . 1 1 86 86 CYS HB2 H 1 2.95 0.02 . 2 . . . . . . . . 6512 1 716 . 1 1 86 86 CYS C C 13 174.4 0.05 . 1 . . . . . . . . 6512 1 717 . 1 1 86 86 CYS CA C 13 58.5 0.05 . 1 . . . . . . . . 6512 1 718 . 1 1 86 86 CYS CB C 13 27.9 0.05 . 1 . . . . . . . . 6512 1 719 . 1 1 86 86 CYS N N 15 122.4 0.05 . 1 . . . . . . . . 6512 1 720 . 1 1 87 87 LYS H H 1 8.41 0.02 . 1 . . . . . . . . 6512 1 721 . 1 1 87 87 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 6512 1 722 . 1 1 87 87 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 6512 1 723 . 1 1 87 87 LYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 6512 1 724 . 1 1 87 87 LYS C C 13 176.5 0.05 . 1 . . . . . . . . 6512 1 725 . 1 1 87 87 LYS CA C 13 55.8 0.05 . 1 . . . . . . . . 6512 1 726 . 1 1 87 87 LYS N N 15 124.2 0.05 . 1 . . . . . . . . 6512 1 727 . 1 1 88 88 ARG HA H 1 4.32 0.02 . 1 . . . . . . . . 6512 1 728 . 1 1 88 88 ARG HB2 H 1 1.80 0.02 . 2 . . . . . . . . 6512 1 729 . 1 1 88 88 ARG C C 13 176.1 0.05 . 1 . . . . . . . . 6512 1 730 . 1 1 88 88 ARG CA C 13 56.2 0.05 . 1 . . . . . . . . 6512 1 731 . 1 1 88 88 ARG CB C 13 30.9 0.05 . 1 . . . . . . . . 6512 1 732 . 1 1 89 89 ASN H H 1 8.52 0.02 . 1 . . . . . . . . 6512 1 733 . 1 1 89 89 ASN HA H 1 4.70 0.02 . 1 . . . . . . . . 6512 1 734 . 1 1 89 89 ASN HB2 H 1 2.91 0.02 . 2 . . . . . . . . 6512 1 735 . 1 1 89 89 ASN C C 13 175.1 0.05 . 1 . . . . . . . . 6512 1 736 . 1 1 89 89 ASN CA C 13 53.3 0.05 . 1 . . . . . . . . 6512 1 737 . 1 1 89 89 ASN CB C 13 38.5 0.05 . 1 . . . . . . . . 6512 1 738 . 1 1 89 89 ASN N N 15 120.0 0.05 . 1 . . . . . . . . 6512 1 739 . 1 1 90 90 ASP H H 1 8.28 0.02 . 1 . . . . . . . . 6512 1 740 . 1 1 90 90 ASP HA H 1 4.67 0.02 . 1 . . . . . . . . 6512 1 741 . 1 1 90 90 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 6512 1 742 . 1 1 90 90 ASP C C 13 175.8 0.05 . 1 . . . . . . . . 6512 1 743 . 1 1 90 90 ASP CA C 13 53.1 0.05 . 1 . . . . . . . . 6512 1 744 . 1 1 90 90 ASP CB C 13 38.0 0.05 . 1 . . . . . . . . 6512 1 745 . 1 1 90 90 ASP N N 15 120.6 0.05 . 1 . . . . . . . . 6512 1 746 . 1 1 91 91 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 6512 1 747 . 1 1 91 91 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 6512 1 748 . 1 1 91 91 GLU C C 13 176.2 0.05 . 1 . . . . . . . . 6512 1 749 . 1 1 91 91 GLU CA C 13 56.4 0.05 . 1 . . . . . . . . 6512 1 750 . 1 1 91 91 GLU CB C 13 28.5 0.05 . 1 . . . . . . . . 6512 1 751 . 1 1 91 91 GLU CG C 13 37.9 0.05 . 1 . . . . . . . . 6512 1 752 . 1 1 92 92 VAL H H 1 8.07 0.02 . 1 . . . . . . . . 6512 1 753 . 1 1 92 92 VAL HA H 1 4.00 0.02 . 1 . . . . . . . . 6512 1 754 . 1 1 92 92 VAL HB H 1 2.02 0.02 . 1 . . . . . . . . 6512 1 755 . 1 1 92 92 VAL HG11 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 756 . 1 1 92 92 VAL HG12 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 757 . 1 1 92 92 VAL HG13 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 758 . 1 1 92 92 VAL C C 13 176.1 0.05 . 1 . . . . . . . . 6512 1 759 . 1 1 92 92 VAL CA C 13 63.0 0.05 . 1 . . . . . . . . 6512 1 760 . 1 1 92 92 VAL CB C 13 32.2 0.05 . 1 . . . . . . . . 6512 1 761 . 1 1 92 92 VAL CG1 C 13 20.7 0.05 . 2 . . . . . . . . 6512 1 762 . 1 1 92 92 VAL N N 15 121.1 0.05 . 1 . . . . . . . . 6512 1 763 . 1 1 93 93 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 6512 1 764 . 1 1 93 93 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 765 . 1 1 93 93 LEU HB2 H 1 1.52 0.02 . 2 . . . . . . . . 6512 1 766 . 1 1 93 93 LEU HG H 1 1.52 0.02 . 1 . . . . . . . . 6512 1 767 . 1 1 93 93 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 6512 1 768 . 1 1 93 93 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 6512 1 769 . 1 1 93 93 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 6512 1 770 . 1 1 93 93 LEU C C 13 177.2 0.05 . 1 . . . . . . . . 6512 1 771 . 1 1 93 93 LEU CA C 13 55.3 0.05 . 1 . . . . . . . . 6512 1 772 . 1 1 93 93 LEU CB C 13 42.1 0.05 . 1 . . . . . . . . 6512 1 773 . 1 1 93 93 LEU CG C 13 26.6 0.05 . 1 . . . . . . . . 6512 1 774 . 1 1 93 93 LEU CD1 C 13 24.5 0.05 . 2 . . . . . . . . 6512 1 775 . 1 1 93 93 LEU N N 15 124.7 0.05 . 1 . . . . . . . . 6512 1 776 . 1 1 94 94 PHE H H 1 8.14 0.02 . 1 . . . . . . . . 6512 1 777 . 1 1 94 94 PHE HA H 1 4.63 0.02 . 1 . . . . . . . . 6512 1 778 . 1 1 94 94 PHE HB2 H 1 3.11 0.02 . 2 . . . . . . . . 6512 1 779 . 1 1 94 94 PHE HB3 H 1 2.98 0.02 . 2 . . . . . . . . 6512 1 780 . 1 1 94 94 PHE C C 13 175.8 0.05 . 1 . . . . . . . . 6512 1 781 . 1 1 94 94 PHE CA C 13 57.8 0.05 . 1 . . . . . . . . 6512 1 782 . 1 1 94 94 PHE CB C 13 39.6 0.05 . 1 . . . . . . . . 6512 1 783 . 1 1 94 94 PHE N N 15 121.0 0.05 . 1 . . . . . . . . 6512 1 784 . 1 1 95 95 ARG HA H 1 4.22 0.02 . 1 . . . . . . . . 6512 1 785 . 1 1 95 95 ARG HB2 H 1 1.80 0.02 . 2 . . . . . . . . 6512 1 786 . 1 1 95 95 ARG HG2 H 1 1.38 0.02 . 2 . . . . . . . . 6512 1 787 . 1 1 95 95 ARG HD2 H 1 3.02 0.02 . 2 . . . . . . . . 6512 1 788 . 1 1 95 95 ARG C C 13 176.1 0.05 . 1 . . . . . . . . 6512 1 789 . 1 1 95 95 ARG CA C 13 56.3 0.05 . 1 . . . . . . . . 6512 1 790 . 1 1 95 95 ARG CB C 13 30.8 0.05 . 1 . . . . . . . . 6512 1 791 . 1 1 95 95 ARG CG C 13 27.0 0.05 . 1 . . . . . . . . 6512 1 792 . 1 1 95 95 ARG CD C 13 42.6 0.05 . 1 . . . . . . . . 6512 1 793 . 1 1 96 96 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 6512 1 794 . 1 1 96 96 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 795 . 1 1 96 96 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 6512 1 796 . 1 1 96 96 LEU HG H 1 1.52 0.02 . 1 . . . . . . . . 6512 1 797 . 1 1 96 96 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 6512 1 798 . 1 1 96 96 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 6512 1 799 . 1 1 96 96 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 6512 1 800 . 1 1 96 96 LEU C C 13 177.5 0.05 . 1 . . . . . . . . 6512 1 801 . 1 1 96 96 LEU CA C 13 55.3 0.05 . 1 . . . . . . . . 6512 1 802 . 1 1 96 96 LEU CB C 13 42.1 0.05 . 1 . . . . . . . . 6512 1 803 . 1 1 96 96 LEU CG C 13 26.3 0.05 . 1 . . . . . . . . 6512 1 804 . 1 1 96 96 LEU CD1 C 13 23.5 0.05 . 2 . . . . . . . . 6512 1 805 . 1 1 96 96 LEU N N 15 122.9 0.05 . 1 . . . . . . . . 6512 1 806 . 1 1 97 97 GLU H H 1 8.31 0.02 . 1 . . . . . . . . 6512 1 807 . 1 1 97 97 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 6512 1 808 . 1 1 97 97 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 6512 1 809 . 1 1 97 97 GLU C C 13 176.0 0.05 . 1 . . . . . . . . 6512 1 810 . 1 1 97 97 GLU CA C 13 55.7 0.05 . 1 . . . . . . . . 6512 1 811 . 1 1 97 97 GLU CB C 13 30.4 0.05 . 1 . . . . . . . . 6512 1 812 . 1 1 97 97 GLU N N 15 120.7 0.05 . 1 . . . . . . . . 6512 1 813 . 1 1 98 98 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 6512 1 814 . 1 1 98 98 ASN HB2 H 1 2.76 0.02 . 2 . . . . . . . . 6512 1 815 . 1 1 98 98 ASN C C 13 175.2 0.05 . 1 . . . . . . . . 6512 1 816 . 1 1 98 98 ASN CA C 13 53.2 0.05 . 1 . . . . . . . . 6512 1 817 . 1 1 98 98 ASN CB C 13 38.7 0.05 . 1 . . . . . . . . 6512 1 818 . 1 1 99 99 HIS H H 1 8.54 0.02 . 1 . . . . . . . . 6512 1 819 . 1 1 99 99 HIS HA H 1 4.66 0.02 . 1 . . . . . . . . 6512 1 820 . 1 1 99 99 HIS HB2 H 1 3.27 0.02 . 2 . . . . . . . . 6512 1 821 . 1 1 99 99 HIS C C 13 174.3 0.05 . 1 . . . . . . . . 6512 1 822 . 1 1 99 99 HIS CA C 13 55.7 0.05 . 1 . . . . . . . . 6512 1 823 . 1 1 99 99 HIS CB C 13 28.6 0.05 . 1 . . . . . . . . 6512 1 824 . 1 1 99 99 HIS N N 15 119.3 0.05 . 1 . . . . . . . . 6512 1 825 . 1 1 100 100 ALA H H 1 8.38 0.02 . 1 . . . . . . . . 6512 1 826 . 1 1 100 100 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 6512 1 827 . 1 1 100 100 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 6512 1 828 . 1 1 100 100 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 6512 1 829 . 1 1 100 100 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 6512 1 830 . 1 1 100 100 ALA C C 13 178.0 0.05 . 1 . . . . . . . . 6512 1 831 . 1 1 100 100 ALA CA C 13 53.0 0.05 . 1 . . . . . . . . 6512 1 832 . 1 1 100 100 ALA CB C 13 19.0 0.05 . 1 . . . . . . . . 6512 1 833 . 1 1 100 100 ALA N N 15 124.5 0.05 . 1 . . . . . . . . 6512 1 834 . 1 1 101 101 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 6512 1 835 . 1 1 101 101 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 6512 1 836 . 1 1 101 101 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 6512 1 837 . 1 1 101 101 GLU C C 13 176.5 0.05 . 1 . . . . . . . . 6512 1 838 . 1 1 101 101 GLU CA C 13 56.3 0.05 . 1 . . . . . . . . 6512 1 839 . 1 1 101 101 GLU CB C 13 28.8 0.05 . 1 . . . . . . . . 6512 1 840 . 1 1 101 101 GLU CG C 13 37.2 0.05 . 1 . . . . . . . . 6512 1 841 . 1 1 101 101 GLU N N 15 122.2 0.05 . 1 . . . . . . . . 6512 1 842 . 1 1 102 102 THR H H 1 8.20 0.02 . 1 . . . . . . . . 6512 1 843 . 1 1 102 102 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 6512 1 844 . 1 1 102 102 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 6512 1 845 . 1 1 102 102 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 6512 1 846 . 1 1 102 102 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 6512 1 847 . 1 1 102 102 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 6512 1 848 . 1 1 102 102 THR C C 13 174.7 0.05 . 1 . . . . . . . . 6512 1 849 . 1 1 102 102 THR CA C 13 62.4 0.05 . 1 . . . . . . . . 6512 1 850 . 1 1 102 102 THR CB C 13 69.8 0.05 . 1 . . . . . . . . 6512 1 851 . 1 1 102 102 THR CG2 C 13 21.5 0.05 . 1 . . . . . . . . 6512 1 852 . 1 1 102 102 THR N N 15 116.0 0.05 . 1 . . . . . . . . 6512 1 853 . 1 1 103 103 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 6512 1 854 . 1 1 103 103 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 855 . 1 1 103 103 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 6512 1 856 . 1 1 103 103 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 6512 1 857 . 1 1 103 103 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 858 . 1 1 103 103 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 859 . 1 1 103 103 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 860 . 1 1 103 103 LEU C C 13 177.5 0.05 . 1 . . . . . . . . 6512 1 861 . 1 1 103 103 LEU CA C 13 55.5 0.05 . 1 . . . . . . . . 6512 1 862 . 1 1 103 103 LEU CB C 13 42.1 0.05 . 1 . . . . . . . . 6512 1 863 . 1 1 103 103 LEU CG C 13 26.6 0.05 . 1 . . . . . . . . 6512 1 864 . 1 1 103 103 LEU CD1 C 13 24.3 0.05 . 2 . . . . . . . . 6512 1 865 . 1 1 103 103 LEU N N 15 124.8 0.05 . 1 . . . . . . . . 6512 1 866 . 1 1 104 104 ARG H H 1 8.30 0.02 . 1 . . . . . . . . 6512 1 867 . 1 1 104 104 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 6512 1 868 . 1 1 104 104 ARG HB2 H 1 1.82 0.02 . 2 . . . . . . . . 6512 1 869 . 1 1 104 104 ARG HG2 H 1 1.61 0.02 . 2 . . . . . . . . 6512 1 870 . 1 1 104 104 ARG HD2 H 1 2.84 0.02 . 2 . . . . . . . . 6512 1 871 . 1 1 104 104 ARG C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 872 . 1 1 104 104 ARG CA C 13 56.6 0.05 . 1 . . . . . . . . 6512 1 873 . 1 1 104 104 ARG CB C 13 30.4 0.05 . 1 . . . . . . . . 6512 1 874 . 1 1 104 104 ARG CG C 13 26.8 0.05 . 1 . . . . . . . . 6512 1 875 . 1 1 104 104 ARG CD C 13 42.4 0.05 . 1 . . . . . . . . 6512 1 876 . 1 1 104 104 ARG N N 15 122.0 0.05 . 1 . . . . . . . . 6512 1 877 . 1 1 105 105 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 6512 1 878 . 1 1 105 105 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 6512 1 879 . 1 1 105 105 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 6512 1 880 . 1 1 105 105 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 6512 1 881 . 1 1 105 105 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 6512 1 882 . 1 1 105 105 ALA C C 13 177.2 0.05 . 1 . . . . . . . . 6512 1 883 . 1 1 105 105 ALA CA C 13 52.9 0.05 . 1 . . . . . . . . 6512 1 884 . 1 1 105 105 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . 6512 1 885 . 1 1 105 105 ALA N N 15 124.8 0.05 . 1 . . . . . . . . 6512 1 886 . 1 1 106 106 ALA H H 1 8.20 0.02 . 1 . . . . . . . . 6512 1 887 . 1 1 106 106 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 6512 1 888 . 1 1 106 106 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 6512 1 889 . 1 1 106 106 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 6512 1 890 . 1 1 106 106 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 6512 1 891 . 1 1 106 106 ALA C C 13 177.8 0.05 . 1 . . . . . . . . 6512 1 892 . 1 1 106 106 ALA CA C 13 52.8 0.05 . 1 . . . . . . . . 6512 1 893 . 1 1 106 106 ALA CB C 13 19.0 0.05 . 1 . . . . . . . . 6512 1 894 . 1 1 106 106 ALA N N 15 122.7 0.05 . 1 . . . . . . . . 6512 1 895 . 1 1 107 107 MET H H 1 8.25 0.02 . 1 . . . . . . . . 6512 1 896 . 1 1 107 107 MET HA H 1 4.44 0.02 . 1 . . . . . . . . 6512 1 897 . 1 1 107 107 MET HB2 H 1 2.07 0.02 . 2 . . . . . . . . 6512 1 898 . 1 1 107 107 MET HG2 H 1 2.61 0.02 . 2 . . . . . . . . 6512 1 899 . 1 1 107 107 MET C C 13 176.6 0.05 . 1 . . . . . . . . 6512 1 900 . 1 1 107 107 MET CA C 13 55.9 0.05 . 1 . . . . . . . . 6512 1 901 . 1 1 107 107 MET CB C 13 32.6 0.05 . 1 . . . . . . . . 6512 1 902 . 1 1 107 107 MET CG C 13 31.5 0.05 . 1 . . . . . . . . 6512 1 903 . 1 1 107 107 MET N N 15 119.5 0.05 . 1 . . . . . . . . 6512 1 904 . 1 1 108 108 ILE H H 1 8.13 0.02 . 1 . . . . . . . . 6512 1 905 . 1 1 108 108 ILE HA H 1 4.16 0.02 . 1 . . . . . . . . 6512 1 906 . 1 1 108 108 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 6512 1 907 . 1 1 108 108 ILE HG12 H 1 1.50 0.02 . 2 . . . . . . . . 6512 1 908 . 1 1 108 108 ILE C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 909 . 1 1 108 108 ILE CA C 13 61.7 0.05 . 1 . . . . . . . . 6512 1 910 . 1 1 108 108 ILE CB C 13 37.7 0.05 . 1 . . . . . . . . 6512 1 911 . 1 1 108 108 ILE CG1 C 13 27.4 0.05 . 1 . . . . . . . . 6512 1 912 . 1 1 108 108 ILE CG2 C 13 17.0 0.05 . 1 . . . . . . . . 6512 1 913 . 1 1 108 108 ILE N N 15 121.9 0.05 . 1 . . . . . . . . 6512 1 914 . 1 1 109 109 SER H H 1 8.31 0.02 . 1 . . . . . . . . 6512 1 915 . 1 1 109 109 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 6512 1 916 . 1 1 109 109 SER HB2 H 1 3.88 0.02 . 2 . . . . . . . . 6512 1 917 . 1 1 109 109 SER C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 918 . 1 1 109 109 SER CA C 13 58.4 0.05 . 1 . . . . . . . . 6512 1 919 . 1 1 109 109 SER CB C 13 63.8 0.05 . 1 . . . . . . . . 6512 1 920 . 1 1 109 109 SER N N 15 119.3 0.05 . 1 . . . . . . . . 6512 1 921 . 1 1 110 110 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 6512 1 922 . 1 1 110 110 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 6512 1 923 . 1 1 110 110 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 6512 1 924 . 1 1 110 110 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 6512 1 925 . 1 1 110 110 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 926 . 1 1 110 110 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 927 . 1 1 110 110 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 928 . 1 1 110 110 LEU C C 13 177.8 0.05 . 1 . . . . . . . . 6512 1 929 . 1 1 110 110 LEU CA C 13 55.3 0.05 . 1 . . . . . . . . 6512 1 930 . 1 1 110 110 LEU CB C 13 42.2 0.05 . 1 . . . . . . . . 6512 1 931 . 1 1 110 110 LEU CG C 13 26.3 0.05 . 1 . . . . . . . . 6512 1 932 . 1 1 110 110 LEU CD1 C 13 23.5 0.05 . 2 . . . . . . . . 6512 1 933 . 1 1 110 110 LEU N N 15 124.7 0.05 . 1 . . . . . . . . 6512 1 934 . 1 1 111 111 ALA H H 1 8.15 0.02 . 1 . . . . . . . . 6512 1 935 . 1 1 111 111 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 6512 1 936 . 1 1 111 111 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 6512 1 937 . 1 1 111 111 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 6512 1 938 . 1 1 111 111 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 6512 1 939 . 1 1 111 111 ALA C C 13 177.8 0.05 . 1 . . . . . . . . 6512 1 940 . 1 1 111 111 ALA CA C 13 52.7 0.05 . 1 . . . . . . . . 6512 1 941 . 1 1 111 111 ALA CB C 13 18.8 0.05 . 1 . . . . . . . . 6512 1 942 . 1 1 111 111 ALA N N 15 124.3 0.05 . 1 . . . . . . . . 6512 1 943 . 1 1 112 112 LYS H H 1 8.17 0.02 . 1 . . . . . . . . 6512 1 944 . 1 1 112 112 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 6512 1 945 . 1 1 112 112 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 6512 1 946 . 1 1 112 112 LYS HG2 H 1 1.50 0.02 . 2 . . . . . . . . 6512 1 947 . 1 1 112 112 LYS C C 13 176.6 0.05 . 1 . . . . . . . . 6512 1 948 . 1 1 112 112 LYS CA C 13 56.4 0.05 . 1 . . . . . . . . 6512 1 949 . 1 1 112 112 LYS CB C 13 32.9 0.05 . 1 . . . . . . . . 6512 1 950 . 1 1 112 112 LYS CG C 13 24.7 0.05 . 1 . . . . . . . . 6512 1 951 . 1 1 112 112 LYS CD C 13 29.0 0.05 . 1 . . . . . . . . 6512 1 952 . 1 1 112 112 LYS CE C 13 41.5 0.05 . 1 . . . . . . . . 6512 1 953 . 1 1 112 112 LYS N N 15 120.5 0.05 . 1 . . . . . . . . 6512 1 954 . 1 1 113 113 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 6512 1 955 . 1 1 113 113 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 956 . 1 1 113 113 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 6512 1 957 . 1 1 113 113 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 6512 1 958 . 1 1 113 113 LYS C C 13 176.4 0.05 . 1 . . . . . . . . 6512 1 959 . 1 1 113 113 LYS CA C 13 56.5 0.05 . 1 . . . . . . . . 6512 1 960 . 1 1 113 113 LYS CB C 13 32.8 0.05 . 1 . . . . . . . . 6512 1 961 . 1 1 113 113 LYS N N 15 123.0 0.05 . 1 . . . . . . . . 6512 1 962 . 1 1 114 114 ILE H H 1 8.22 0.02 . 1 . . . . . . . . 6512 1 963 . 1 1 114 114 ILE HA H 1 4.17 0.02 . 1 . . . . . . . . 6512 1 964 . 1 1 114 114 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 6512 1 965 . 1 1 114 114 ILE HG12 H 1 1.47 0.02 . 2 . . . . . . . . 6512 1 966 . 1 1 114 114 ILE HG13 H 1 1.18 0.02 . 2 . . . . . . . . 6512 1 967 . 1 1 114 114 ILE HG21 H 1 0.90 0.02 . 1 . . . . . . . . 6512 1 968 . 1 1 114 114 ILE HG22 H 1 0.90 0.02 . 1 . . . . . . . . 6512 1 969 . 1 1 114 114 ILE HG23 H 1 0.90 0.02 . 1 . . . . . . . . 6512 1 970 . 1 1 114 114 ILE C C 13 175.7 0.05 . 1 . . . . . . . . 6512 1 971 . 1 1 114 114 ILE CA C 13 61.0 0.05 . 1 . . . . . . . . 6512 1 972 . 1 1 114 114 ILE CB C 13 38.6 0.05 . 1 . . . . . . . . 6512 1 973 . 1 1 114 114 ILE CG1 C 13 26.9 0.05 . 1 . . . . . . . . 6512 1 974 . 1 1 114 114 ILE CG2 C 13 17.1 0.05 . 1 . . . . . . . . 6512 1 975 . 1 1 114 114 ILE N N 15 122.2 0.05 . 1 . . . . . . . . 6512 1 976 . 1 1 115 115 ASP H H 1 8.60 0.02 . 1 . . . . . . . . 6512 1 977 . 1 1 115 115 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 6512 1 978 . 1 1 115 115 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 6512 1 979 . 1 1 115 115 ASP C C 13 175.1 0.05 . 1 . . . . . . . . 6512 1 980 . 1 1 115 115 ASP CA C 13 52.9 0.05 . 1 . . . . . . . . 6512 1 981 . 1 1 115 115 ASP CB C 13 38.2 0.05 . 1 . . . . . . . . 6512 1 982 . 1 1 115 115 ASP N N 15 123.7 0.05 . 1 . . . . . . . . 6512 1 983 . 1 1 116 116 VAL H H 1 8.17 0.02 . 1 . . . . . . . . 6512 1 984 . 1 1 116 116 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 6512 1 985 . 1 1 116 116 VAL HB H 1 2.10 0.02 . 1 . . . . . . . . 6512 1 986 . 1 1 116 116 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 6512 1 987 . 1 1 116 116 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 6512 1 988 . 1 1 116 116 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 6512 1 989 . 1 1 116 116 VAL HG21 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 990 . 1 1 116 116 VAL HG22 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 991 . 1 1 116 116 VAL HG23 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 992 . 1 1 116 116 VAL C C 13 176.2 0.05 . 1 . . . . . . . . 6512 1 993 . 1 1 116 116 VAL CA C 13 62.5 0.05 . 1 . . . . . . . . 6512 1 994 . 1 1 116 116 VAL CB C 13 32.4 0.05 . 1 . . . . . . . . 6512 1 995 . 1 1 116 116 VAL CG1 C 13 20.6 0.05 . 2 . . . . . . . . 6512 1 996 . 1 1 116 116 VAL N N 15 121.1 0.05 . 1 . . . . . . . . 6512 1 997 . 1 1 117 117 GLN H H 1 8.50 0.02 . 1 . . . . . . . . 6512 1 998 . 1 1 117 117 GLN HA H 1 4.42 0.02 . 1 . . . . . . . . 6512 1 999 . 1 1 117 117 GLN HB2 H 1 2.07 0.02 . 2 . . . . . . . . 6512 1 1000 . 1 1 117 117 GLN C C 13 176.2 0.05 . 1 . . . . . . . . 6512 1 1001 . 1 1 117 117 GLN CA C 13 55.9 0.05 . 1 . . . . . . . . 6512 1 1002 . 1 1 117 117 GLN CB C 13 29.2 0.05 . 1 . . . . . . . . 6512 1 1003 . 1 1 117 117 GLN CG C 13 32.9 0.05 . 1 . . . . . . . . 6512 1 1004 . 1 1 117 117 GLN N N 15 124.0 0.05 . 1 . . . . . . . . 6512 1 1005 . 1 1 118 118 THR H H 1 8.22 0.02 . 1 . . . . . . . . 6512 1 1006 . 1 1 118 118 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 6512 1 1007 . 1 1 118 118 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 6512 1 1008 . 1 1 118 118 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 1009 . 1 1 118 118 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 1010 . 1 1 118 118 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 6512 1 1011 . 1 1 118 118 THR C C 13 175.2 0.05 . 1 . . . . . . . . 6512 1 1012 . 1 1 118 118 THR CA C 13 62.1 0.05 . 1 . . . . . . . . 6512 1 1013 . 1 1 118 118 THR CB C 13 69.8 0.05 . 1 . . . . . . . . 6512 1 1014 . 1 1 118 118 THR CG2 C 13 21.4 0.05 . 1 . . . . . . . . 6512 1 1015 . 1 1 118 118 THR N N 15 115.3 0.05 . 1 . . . . . . . . 6512 1 1016 . 1 1 119 119 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 6512 1 1017 . 1 1 119 119 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 6512 1 1018 . 1 1 119 119 GLY C C 13 174.1 0.05 . 1 . . . . . . . . 6512 1 1019 . 1 1 119 119 GLY CA C 13 45.3 0.05 . 1 . . . . . . . . 6512 1 1020 . 1 1 119 119 GLY N N 15 111.2 0.05 . 1 . . . . . . . . 6512 1 1021 . 1 1 120 120 ARG H H 1 8.31 0.02 . 1 . . . . . . . . 6512 1 1022 . 1 1 120 120 ARG HA H 1 4.34 0.02 . 1 . . . . . . . . 6512 1 1023 . 1 1 120 120 ARG HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6512 1 1024 . 1 1 120 120 ARG HG2 H 1 1.64 0.02 . 2 . . . . . . . . 6512 1 1025 . 1 1 120 120 ARG C C 13 177.0 0.05 . 1 . . . . . . . . 6512 1 1026 . 1 1 120 120 ARG CA C 13 56.3 0.05 . 1 . . . . . . . . 6512 1 1027 . 1 1 120 120 ARG CB C 13 30.6 0.05 . 1 . . . . . . . . 6512 1 1028 . 1 1 120 120 ARG CG C 13 26.8 0.05 . 1 . . . . . . . . 6512 1 1029 . 1 1 120 120 ARG CD C 13 42.8 0.05 . 1 . . . . . . . . 6512 1 1030 . 1 1 120 120 ARG N N 15 120.7 0.05 . 1 . . . . . . . . 6512 1 1031 . 1 1 121 121 ARG H H 1 8.46 0.02 . 1 . . . . . . . . 6512 1 1032 . 1 1 121 121 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 6512 1 1033 . 1 1 121 121 ARG HB2 H 1 1.77 0.02 . 2 . . . . . . . . 6512 1 1034 . 1 1 121 121 ARG HG3 H 1 1.62 0.02 . 2 . . . . . . . . 6512 1 1035 . 1 1 121 121 ARG C C 13 176.6 0.05 . 1 . . . . . . . . 6512 1 1036 . 1 1 121 121 ARG CA C 13 56.4 0.05 . 1 . . . . . . . . 6512 1 1037 . 1 1 121 121 ARG CB C 13 30.5 0.05 . 1 . . . . . . . . 6512 1 1038 . 1 1 121 121 ARG CG C 13 26.9 0.05 . 1 . . . . . . . . 6512 1 1039 . 1 1 121 121 ARG CD C 13 42.9 0.05 . 1 . . . . . . . . 6512 1 1040 . 1 1 121 121 ARG N N 15 122.6 0.05 . 1 . . . . . . . . 6512 1 1041 . 1 1 122 122 GLN H H 1 8.43 0.02 . 1 . . . . . . . . 6512 1 1042 . 1 1 122 122 GLN HA H 1 4.28 0.02 . 1 . . . . . . . . 6512 1 1043 . 1 1 122 122 GLN HB2 H 1 1.96 0.02 . 2 . . . . . . . . 6512 1 1044 . 1 1 122 122 GLN C C 13 175.7 0.05 . 1 . . . . . . . . 6512 1 1045 . 1 1 122 122 GLN CA C 13 56.0 0.05 . 1 . . . . . . . . 6512 1 1046 . 1 1 122 122 GLN CB C 13 29.2 0.05 . 1 . . . . . . . . 6512 1 1047 . 1 1 122 122 GLN CG C 13 32.7 0.05 . 1 . . . . . . . . 6512 1 1048 . 1 1 122 122 GLN N N 15 121.6 0.05 . 1 . . . . . . . . 6512 1 1049 . 1 1 123 123 TYR H H 1 8.29 0.02 . 1 . . . . . . . . 6512 1 1050 . 1 1 123 123 TYR HA H 1 4.54 0.02 . 1 . . . . . . . . 6512 1 1051 . 1 1 123 123 TYR HB2 H 1 3.00 0.02 . 2 . . . . . . . . 6512 1 1052 . 1 1 123 123 TYR C C 13 175.7 0.05 . 1 . . . . . . . . 6512 1 1053 . 1 1 123 123 TYR CA C 13 58.1 0.05 . 1 . . . . . . . . 6512 1 1054 . 1 1 123 123 TYR CB C 13 38.7 0.05 . 1 . . . . . . . . 6512 1 1055 . 1 1 123 123 TYR N N 15 121.6 0.05 . 1 . . . . . . . . 6512 1 1056 . 1 1 124 124 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 6512 1 1057 . 1 1 124 124 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 6512 1 1058 . 1 1 124 124 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 6512 1 1059 . 1 1 124 124 GLU C C 13 175.7 0.05 . 1 . . . . . . . . 6512 1 1060 . 1 1 124 124 GLU CA C 13 55.6 0.05 . 1 . . . . . . . . 6512 1 1061 . 1 1 124 124 GLU CB C 13 28.9 0.05 . 1 . . . . . . . . 6512 1 1062 . 1 1 124 124 GLU N N 15 122.2 0.05 . 1 . . . . . . . . 6512 1 1063 . 1 1 125 125 LYS H H 1 8.32 0.02 . 1 . . . . . . . . 6512 1 1064 . 1 1 125 125 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 6512 1 1065 . 1 1 125 125 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 6512 1 1066 . 1 1 125 125 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 6512 1 1067 . 1 1 125 125 LYS C C 13 176.6 0.05 . 1 . . . . . . . . 6512 1 1068 . 1 1 125 125 LYS CA C 13 56.5 0.05 . 1 . . . . . . . . 6512 1 1069 . 1 1 125 125 LYS CB C 13 32.8 0.05 . 1 . . . . . . . . 6512 1 1070 . 1 1 125 125 LYS CG C 13 24.8 0.05 . 1 . . . . . . . . 6512 1 1071 . 1 1 125 125 LYS N N 15 123.2 0.05 . 1 . . . . . . . . 6512 1 1072 . 1 1 126 126 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 6512 1 1073 . 1 1 126 126 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 6512 1 1074 . 1 1 126 126 LEU HB2 H 1 1.61 0.02 . 2 . . . . . . . . 6512 1 1075 . 1 1 126 126 LEU HG H 1 1.52 0.02 . 1 . . . . . . . . 6512 1 1076 . 1 1 126 126 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 1077 . 1 1 126 126 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 1078 . 1 1 126 126 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 6512 1 1079 . 1 1 126 126 LEU C C 13 177.3 0.05 . 1 . . . . . . . . 6512 1 1080 . 1 1 126 126 LEU CA C 13 55.2 0.05 . 1 . . . . . . . . 6512 1 1081 . 1 1 126 126 LEU CB C 13 42.3 0.05 . 1 . . . . . . . . 6512 1 1082 . 1 1 126 126 LEU CG C 13 26.6 0.05 . 1 . . . . . . . . 6512 1 1083 . 1 1 126 126 LEU CD1 C 13 24.5 0.05 . 2 . . . . . . . . 6512 1 1084 . 1 1 126 126 LEU CD2 C 13 23.4 0.05 . 2 . . . . . . . . 6512 1 1085 . 1 1 126 126 LEU N N 15 124.1 0.05 . 1 . . . . . . . . 6512 1 1086 . 1 1 127 127 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 6512 1 1087 . 1 1 127 127 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 6512 1 1088 . 1 1 127 127 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 1089 . 1 1 127 127 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 1090 . 1 1 127 127 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 1091 . 1 1 127 127 ALA C C 13 178.0 0.05 . 1 . . . . . . . . 6512 1 1092 . 1 1 127 127 ALA CA C 13 52.7 0.05 . 1 . . . . . . . . 6512 1 1093 . 1 1 127 127 ALA CB C 13 18.9 0.02 . 1 . . . . . . . . 6512 1 1094 . 1 1 127 127 ALA N N 15 125.0 0.05 . 1 . . . . . . . . 6512 1 1095 . 1 1 128 128 ALA H H 1 8.20 0.02 . 1 . . . . . . . . 6512 1 1096 . 1 1 128 128 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 6512 1 1097 . 1 1 128 128 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 6512 1 1098 . 1 1 128 128 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 6512 1 1099 . 1 1 128 128 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 6512 1 1100 . 1 1 128 128 ALA C C 13 178.1 0.05 . 1 . . . . . . . . 6512 1 1101 . 1 1 128 128 ALA CA C 13 52.8 0.05 . 1 . . . . . . . . 6512 1 1102 . 1 1 128 128 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . 6512 1 1103 . 1 1 128 128 ALA N N 15 123.1 0.05 . 1 . . . . . . . . 6512 1 1104 . 1 1 129 129 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 6512 1 1105 . 1 1 129 129 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 6512 1 1106 . 1 1 129 129 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 1107 . 1 1 129 129 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 1108 . 1 1 129 129 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6512 1 1109 . 1 1 129 129 ALA C C 13 178.1 0.05 . 1 . . . . . . . . 6512 1 1110 . 1 1 129 129 ALA CA C 13 52.8 0.05 . 1 . . . . . . . . 6512 1 1111 . 1 1 129 129 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . 6512 1 1112 . 1 1 129 129 ALA N N 15 122.3 0.05 . 1 . . . . . . . . 6512 1 1113 . 1 1 130 130 LEU H H 1 8.03 0.02 . 1 . . . . . . . . 6512 1 1114 . 1 1 130 130 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 6512 1 1115 . 1 1 130 130 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 6512 1 1116 . 1 1 130 130 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 6512 1 1117 . 1 1 130 130 LEU HD11 H 1 0.88 0.02 . 2 . . . . . . . . 6512 1 1118 . 1 1 130 130 LEU HD12 H 1 0.88 0.02 . 2 . . . . . . . . 6512 1 1119 . 1 1 130 130 LEU HD13 H 1 0.88 0.02 . 2 . . . . . . . . 6512 1 1120 . 1 1 130 130 LEU C C 13 177.5 0.05 . 1 . . . . . . . . 6512 1 1121 . 1 1 130 130 LEU CA C 13 55.2 0.05 . 1 . . . . . . . . 6512 1 1122 . 1 1 130 130 LEU CB C 13 42.0 0.05 . 1 . . . . . . . . 6512 1 1123 . 1 1 130 130 LEU CG C 13 26.5 0.05 . 1 . . . . . . . . 6512 1 1124 . 1 1 130 130 LEU CD1 C 13 24.6 0.05 . 1 . . . . . . . . 6512 1 1125 . 1 1 130 130 LEU CD2 C 13 23.1 0.05 . 1 . . . . . . . . 6512 1 1126 . 1 1 130 130 LEU N N 15 120.3 0.05 . 1 . . . . . . . . 6512 1 1127 . 1 1 131 131 GLU H H 1 8.06 0.02 . 1 . . . . . . . . 6512 1 1128 . 1 1 131 131 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 6512 1 1129 . 1 1 131 131 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 6512 1 1130 . 1 1 131 131 GLU C C 13 175.8 0.05 . 1 . . . . . . . . 6512 1 1131 . 1 1 131 131 GLU CA C 13 55.7 0.05 . 1 . . . . . . . . 6512 1 1132 . 1 1 131 131 GLU CB C 13 28.7 0.05 . 1 . . . . . . . . 6512 1 1133 . 1 1 131 131 GLU N N 15 120.0 0.05 . 1 . . . . . . . . 6512 1 1134 . 1 1 132 132 HIS H H 1 8.48 0.02 . 1 . . . . . . . . 6512 1 1135 . 1 1 132 132 HIS HA H 1 4.66 0.02 . 1 . . . . . . . . 6512 1 1136 . 1 1 132 132 HIS HB2 H 1 3.15 0.02 . 2 . . . . . . . . 6512 1 1137 . 1 1 132 132 HIS C C 13 174.2 0.05 . 1 . . . . . . . . 6512 1 1138 . 1 1 132 132 HIS CA C 13 55.0 0.05 . 1 . . . . . . . . 6512 1 1139 . 1 1 132 132 HIS CB C 13 28.7 0.05 . 1 . . . . . . . . 6512 1 1140 . 1 1 132 132 HIS N N 15 119.0 0.05 . 1 . . . . . . . . 6512 1 1141 . 1 1 133 133 HIS H H 1 8.63 0.02 . 1 . . . . . . . . 6512 1 1142 . 1 1 133 133 HIS HA H 1 4.70 0.02 . 1 . . . . . . . . 6512 1 1143 . 1 1 133 133 HIS HB2 H 1 3.18 0.02 . 2 . . . . . . . . 6512 1 1144 . 1 1 133 133 HIS C C 13 174.2 0.05 . 1 . . . . . . . . 6512 1 1145 . 1 1 133 133 HIS CA C 13 55.1 0.05 . 1 . . . . . . . . 6512 1 1146 . 1 1 133 133 HIS CB C 13 28.8 0.05 . 1 . . . . . . . . 6512 1 1147 . 1 1 133 133 HIS N N 15 119.5 0.05 . 1 . . . . . . . . 6512 1 1148 . 1 1 134 134 HIS H H 1 8.78 0.02 . 1 . . . . . . . . 6512 1 1149 . 1 1 134 134 HIS HA H 1 4.70 0.02 . 1 . . . . . . . . 6512 1 1150 . 1 1 134 134 HIS HB2 H 1 3.19 0.02 . 2 . . . . . . . . 6512 1 1151 . 1 1 134 134 HIS C C 13 174.2 0.05 . 1 . . . . . . . . 6512 1 1152 . 1 1 134 134 HIS CA C 13 55.2 0.05 . 1 . . . . . . . . 6512 1 1153 . 1 1 134 134 HIS CB C 13 28.9 0.05 . 1 . . . . . . . . 6512 1 1154 . 1 1 134 134 HIS N N 15 120.1 0.05 . 1 . . . . . . . . 6512 1 1155 . 1 1 135 135 HIS H H 1 8.83 0.02 . 1 . . . . . . . . 6512 1 1156 . 1 1 135 135 HIS HA H 1 4.70 0.02 . 1 . . . . . . . . 6512 1 1157 . 1 1 135 135 HIS HB2 H 1 3.20 0.02 . 2 . . . . . . . . 6512 1 1158 . 1 1 135 135 HIS C C 13 174.1 0.05 . 1 . . . . . . . . 6512 1 1159 . 1 1 135 135 HIS CA C 13 55.3 0.05 . 1 . . . . . . . . 6512 1 1160 . 1 1 135 135 HIS CB C 13 29.0 0.05 . 1 . . . . . . . . 6512 1 1161 . 1 1 135 135 HIS N N 15 120.7 0.05 . 1 . . . . . . . . 6512 1 1162 . 1 1 136 136 HIS H H 1 8.75 0.02 . 1 . . . . . . . . 6512 1 1163 . 1 1 136 136 HIS HA H 1 4.68 0.02 . 1 . . . . . . . . 6512 1 1164 . 1 1 136 136 HIS HB2 H 1 3.24 0.02 . 2 . . . . . . . . 6512 1 1165 . 1 1 136 136 HIS C C 13 173.8 0.05 . 1 . . . . . . . . 6512 1 1166 . 1 1 136 136 HIS CA C 13 55.4 0.05 . 1 . . . . . . . . 6512 1 1167 . 1 1 136 136 HIS CB C 13 29.0 0.05 . 1 . . . . . . . . 6512 1 1168 . 1 1 136 136 HIS N N 15 121.0 0.05 . 1 . . . . . . . . 6512 1 1169 . 1 1 137 137 HIS H H 1 8.64 0.02 . 1 . . . . . . . . 6512 1 1170 . 1 1 137 137 HIS HA H 1 4.70 0.02 . 1 . . . . . . . . 6512 1 1171 . 1 1 137 137 HIS HB2 H 1 3.22 0.02 . 2 . . . . . . . . 6512 1 1172 . 1 1 137 137 HIS C C 13 177.7 0.05 . 1 . . . . . . . . 6512 1 1173 . 1 1 137 137 HIS CA C 13 56.1 0.05 . 1 . . . . . . . . 6512 1 1174 . 1 1 137 137 HIS CB C 13 29.0 0.05 . 1 . . . . . . . . 6512 1 1175 . 1 1 137 137 HIS N N 15 124.1 0.05 . 1 . . . . . . . . 6512 1 stop_ save_