data_25253 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25253 _Entry.Title ; Chemical Shifts of Y99E,N111D mutant CaM with iNOS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-29 _Entry.Accession_date 2014-09-29 _Entry.Last_release_date 2015-09-04 _Entry.Original_release_date 2015-09-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Michael Piazza . . . . 25253 2 Thorsten Dieckmann . . . . 25253 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Waterloo' . 25253 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25253 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 144 25253 '1H chemical shifts' 772 25253 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-09-22 2014-09-29 update BMRB 'update entry citation' 25253 1 . . 2015-09-04 2014-09-29 original author 'original release' 25253 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18027 'CaM bound to iNOS peptides' 25253 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25253 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25604396 _Citation.Full_citation . _Citation.Title ; Chemical shift perturbations induced by residue specific mutations of CaM interacting with NOS peptides ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _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 299 _Citation.Page_last 302 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Piazza . . . . 25253 1 2 Thorsten Dieckmann . . . . 25253 1 3 Guy Guillemette . . . . 25253 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25253 _Assembly.ID 1 _Assembly.Name 'Y99E,N111D CAM-iNOS' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18689.109 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CaM 1 $CaM A . yes native no no . . . 25253 1 2 iNOS 2 $iNOS A . no native no no . . . 25253 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaM _Entity.Sf_category entity _Entity.Sf_framecode CaM _Entity.Entry_ID 25253 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CaM _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGEI SAAELRHVMTDLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 25253 1 2 2 ASP . 25253 1 3 3 GLN . 25253 1 4 4 LEU . 25253 1 5 5 THR . 25253 1 6 6 GLU . 25253 1 7 7 GLU . 25253 1 8 8 GLN . 25253 1 9 9 ILE . 25253 1 10 10 ALA . 25253 1 11 11 GLU . 25253 1 12 12 PHE . 25253 1 13 13 LYS . 25253 1 14 14 GLU . 25253 1 15 15 ALA . 25253 1 16 16 PHE . 25253 1 17 17 SER . 25253 1 18 18 LEU . 25253 1 19 19 PHE . 25253 1 20 20 ASP . 25253 1 21 21 LYS . 25253 1 22 22 ASP . 25253 1 23 23 GLY . 25253 1 24 24 ASP . 25253 1 25 25 GLY . 25253 1 26 26 THR . 25253 1 27 27 ILE . 25253 1 28 28 THR . 25253 1 29 29 THR . 25253 1 30 30 LYS . 25253 1 31 31 GLU . 25253 1 32 32 LEU . 25253 1 33 33 GLY . 25253 1 34 34 THR . 25253 1 35 35 VAL . 25253 1 36 36 MET . 25253 1 37 37 ARG . 25253 1 38 38 SER . 25253 1 39 39 LEU . 25253 1 40 40 GLY . 25253 1 41 41 GLN . 25253 1 42 42 ASN . 25253 1 43 43 PRO . 25253 1 44 44 THR . 25253 1 45 45 GLU . 25253 1 46 46 ALA . 25253 1 47 47 GLU . 25253 1 48 48 LEU . 25253 1 49 49 GLN . 25253 1 50 50 ASP . 25253 1 51 51 MET . 25253 1 52 52 ILE . 25253 1 53 53 ASN . 25253 1 54 54 GLU . 25253 1 55 55 VAL . 25253 1 56 56 ASP . 25253 1 57 57 ALA . 25253 1 58 58 ASP . 25253 1 59 59 GLY . 25253 1 60 60 ASN . 25253 1 61 61 GLY . 25253 1 62 62 THR . 25253 1 63 63 ILE . 25253 1 64 64 ASP . 25253 1 65 65 PHE . 25253 1 66 66 PRO . 25253 1 67 67 GLU . 25253 1 68 68 PHE . 25253 1 69 69 LEU . 25253 1 70 70 THR . 25253 1 71 71 MET . 25253 1 72 72 MET . 25253 1 73 73 ALA . 25253 1 74 74 ARG . 25253 1 75 75 LYS . 25253 1 76 76 MET . 25253 1 77 77 LYS . 25253 1 78 78 ASP . 25253 1 79 79 THR . 25253 1 80 80 ASP . 25253 1 81 81 SER . 25253 1 82 82 GLU . 25253 1 83 83 GLU . 25253 1 84 84 GLU . 25253 1 85 85 ILE . 25253 1 86 86 ARG . 25253 1 87 87 GLU . 25253 1 88 88 ALA . 25253 1 89 89 PHE . 25253 1 90 90 ARG . 25253 1 91 91 VAL . 25253 1 92 92 PHE . 25253 1 93 93 ASP . 25253 1 94 94 LYS . 25253 1 95 95 ASP . 25253 1 96 96 GLY . 25253 1 97 97 ASN . 25253 1 98 98 GLY . 25253 1 99 99 GLU . 25253 1 100 100 ILE . 25253 1 101 101 SER . 25253 1 102 102 ALA . 25253 1 103 103 ALA . 25253 1 104 104 GLU . 25253 1 105 105 LEU . 25253 1 106 106 ARG . 25253 1 107 107 HIS . 25253 1 108 108 VAL . 25253 1 109 109 MET . 25253 1 110 110 THR . 25253 1 111 111 ASP . 25253 1 112 112 LEU . 25253 1 113 113 GLY . 25253 1 114 114 GLU . 25253 1 115 115 LYS . 25253 1 116 116 LEU . 25253 1 117 117 THR . 25253 1 118 118 ASP . 25253 1 119 119 GLU . 25253 1 120 120 GLU . 25253 1 121 121 VAL . 25253 1 122 122 ASP . 25253 1 123 123 GLU . 25253 1 124 124 MET . 25253 1 125 125 ILE . 25253 1 126 126 ARG . 25253 1 127 127 GLU . 25253 1 128 128 ALA . 25253 1 129 129 ASP . 25253 1 130 130 ILE . 25253 1 131 131 ASP . 25253 1 132 132 GLY . 25253 1 133 133 ASP . 25253 1 134 134 GLY . 25253 1 135 135 GLN . 25253 1 136 136 VAL . 25253 1 137 137 ASN . 25253 1 138 138 TYR . 25253 1 139 139 GLU . 25253 1 140 140 GLU . 25253 1 141 141 PHE . 25253 1 142 142 VAL . 25253 1 143 143 GLN . 25253 1 144 144 MET . 25253 1 145 145 MET . 25253 1 146 146 THR . 25253 1 147 147 ALA . 25253 1 148 148 LYS . 25253 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 . ALA 1 1 25253 1 . ASP 2 2 25253 1 . GLN 3 3 25253 1 . LEU 4 4 25253 1 . THR 5 5 25253 1 . GLU 6 6 25253 1 . GLU 7 7 25253 1 . GLN 8 8 25253 1 . ILE 9 9 25253 1 . ALA 10 10 25253 1 . GLU 11 11 25253 1 . PHE 12 12 25253 1 . LYS 13 13 25253 1 . GLU 14 14 25253 1 . ALA 15 15 25253 1 . PHE 16 16 25253 1 . SER 17 17 25253 1 . LEU 18 18 25253 1 . PHE 19 19 25253 1 . ASP 20 20 25253 1 . LYS 21 21 25253 1 . ASP 22 22 25253 1 . GLY 23 23 25253 1 . ASP 24 24 25253 1 . GLY 25 25 25253 1 . THR 26 26 25253 1 . ILE 27 27 25253 1 . THR 28 28 25253 1 . THR 29 29 25253 1 . LYS 30 30 25253 1 . GLU 31 31 25253 1 . LEU 32 32 25253 1 . GLY 33 33 25253 1 . THR 34 34 25253 1 . VAL 35 35 25253 1 . MET 36 36 25253 1 . ARG 37 37 25253 1 . SER 38 38 25253 1 . LEU 39 39 25253 1 . GLY 40 40 25253 1 . GLN 41 41 25253 1 . ASN 42 42 25253 1 . PRO 43 43 25253 1 . THR 44 44 25253 1 . GLU 45 45 25253 1 . ALA 46 46 25253 1 . GLU 47 47 25253 1 . LEU 48 48 25253 1 . GLN 49 49 25253 1 . ASP 50 50 25253 1 . MET 51 51 25253 1 . ILE 52 52 25253 1 . ASN 53 53 25253 1 . GLU 54 54 25253 1 . VAL 55 55 25253 1 . ASP 56 56 25253 1 . ALA 57 57 25253 1 . ASP 58 58 25253 1 . GLY 59 59 25253 1 . ASN 60 60 25253 1 . GLY 61 61 25253 1 . THR 62 62 25253 1 . ILE 63 63 25253 1 . ASP 64 64 25253 1 . PHE 65 65 25253 1 . PRO 66 66 25253 1 . GLU 67 67 25253 1 . PHE 68 68 25253 1 . LEU 69 69 25253 1 . THR 70 70 25253 1 . MET 71 71 25253 1 . MET 72 72 25253 1 . ALA 73 73 25253 1 . ARG 74 74 25253 1 . LYS 75 75 25253 1 . MET 76 76 25253 1 . LYS 77 77 25253 1 . ASP 78 78 25253 1 . THR 79 79 25253 1 . ASP 80 80 25253 1 . SER 81 81 25253 1 . GLU 82 82 25253 1 . GLU 83 83 25253 1 . GLU 84 84 25253 1 . ILE 85 85 25253 1 . ARG 86 86 25253 1 . GLU 87 87 25253 1 . ALA 88 88 25253 1 . PHE 89 89 25253 1 . ARG 90 90 25253 1 . VAL 91 91 25253 1 . PHE 92 92 25253 1 . ASP 93 93 25253 1 . LYS 94 94 25253 1 . ASP 95 95 25253 1 . GLY 96 96 25253 1 . ASN 97 97 25253 1 . GLY 98 98 25253 1 . GLU 99 99 25253 1 . ILE 100 100 25253 1 . SER 101 101 25253 1 . ALA 102 102 25253 1 . ALA 103 103 25253 1 . GLU 104 104 25253 1 . LEU 105 105 25253 1 . ARG 106 106 25253 1 . HIS 107 107 25253 1 . VAL 108 108 25253 1 . MET 109 109 25253 1 . THR 110 110 25253 1 . ASP 111 111 25253 1 . LEU 112 112 25253 1 . GLY 113 113 25253 1 . GLU 114 114 25253 1 . LYS 115 115 25253 1 . LEU 116 116 25253 1 . THR 117 117 25253 1 . ASP 118 118 25253 1 . GLU 119 119 25253 1 . GLU 120 120 25253 1 . VAL 121 121 25253 1 . ASP 122 122 25253 1 . GLU 123 123 25253 1 . MET 124 124 25253 1 . ILE 125 125 25253 1 . ARG 126 126 25253 1 . GLU 127 127 25253 1 . ALA 128 128 25253 1 . ASP 129 129 25253 1 . ILE 130 130 25253 1 . ASP 131 131 25253 1 . GLY 132 132 25253 1 . ASP 133 133 25253 1 . GLY 134 134 25253 1 . GLN 135 135 25253 1 . VAL 136 136 25253 1 . ASN 137 137 25253 1 . TYR 138 138 25253 1 . GLU 139 139 25253 1 . GLU 140 140 25253 1 . PHE 141 141 25253 1 . VAL 142 142 25253 1 . GLN 143 143 25253 1 . MET 144 144 25253 1 . MET 145 145 25253 1 . THR 146 146 25253 1 . ALA 147 147 25253 1 . LYS 148 148 25253 1 stop_ save_ save_iNOS _Entity.Sf_category entity _Entity.Sf_framecode iNOS _Entity.Entry_ID 25253 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name iNOS _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 ; LKVLVKAVLFACMLMRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 LEU . 25253 2 2 2 LYS . 25253 2 3 3 VAL . 25253 2 4 4 LEU . 25253 2 5 5 VAL . 25253 2 6 6 LYS . 25253 2 7 7 ALA . 25253 2 8 8 VAL . 25253 2 9 9 LEU . 25253 2 10 10 PHE . 25253 2 11 11 ALA . 25253 2 12 12 CYS . 25253 2 13 13 MET . 25253 2 14 14 LEU . 25253 2 15 15 MET . 25253 2 16 16 ARG . 25253 2 17 17 LYS . 25253 2 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 . LEU 1 1 25253 2 . LYS 2 2 25253 2 . VAL 3 3 25253 2 . LEU 4 4 25253 2 . VAL 5 5 25253 2 . LYS 6 6 25253 2 . ALA 7 7 25253 2 . VAL 8 8 25253 2 . LEU 9 9 25253 2 . PHE 10 10 25253 2 . ALA 11 11 25253 2 . CYS 12 12 25253 2 . MET 13 13 25253 2 . LEU 14 14 25253 2 . MET 15 15 25253 2 . ARG 16 16 25253 2 . LYS 17 17 25253 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25253 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CaM . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25253 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 25253 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CaM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 25253 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25253 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaM '[U-99% 13C; U-99% 15N]' . . 1 $CaM . . 1 . . mM . . . . 25253 1 2 iNOS 'natural abundance' . . 2 $iNOS . . 1 . . mM . . . . 25253 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25253 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . mM . . . . 25253 1 5 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 25253 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25253 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25253 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25253 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.150 . M 25253 1 pH 6.0 . pH 25253 1 pressure 1 . atm 25253 1 temperature 298 . K 25253 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25253 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25253 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25253 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25253 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25253 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 25253 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 25253 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25253 1 2 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25253 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25253 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25253 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25253 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25253 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25253 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25253 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25253 1 2 '3D HCCH-TOCSY' . . . 25253 1 3 '3D 1H-15N NOESY' . . . 25253 1 4 '3D 1H-15N TOCSY' . . . 25253 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 25253 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP H H 1 8.596 0.020 . 1 . . . . 2 ASP H . 25253 1 2 . 1 1 2 2 ASP HA H 1 4.685 0.020 . 1 . . . . 2 ASP HA . 25253 1 3 . 1 1 2 2 ASP N N 15 120.326 0.3 . 1 . . . . 2 ASP N . 25253 1 4 . 1 1 3 3 GLN H H 1 8.279 0.020 . 1 . . . . 3 GLN H . 25253 1 5 . 1 1 3 3 GLN HA H 1 4.345 0.020 . 1 . . . . 3 GLN HA . 25253 1 6 . 1 1 3 3 GLN N N 15 119.614 0.3 . 1 . . . . 3 GLN N . 25253 1 7 . 1 1 4 4 LEU H H 1 7.598 0.020 . 1 . . . . 4 LEU H . 25253 1 8 . 1 1 4 4 LEU HA H 1 4.666 0.020 . 1 . . . . 4 LEU HA . 25253 1 9 . 1 1 4 4 LEU N N 15 120.715 0.3 . 1 . . . . 4 LEU N . 25253 1 10 . 1 1 5 5 THR H H 1 8.647 0.020 . 1 . . . . 5 THR H . 25253 1 11 . 1 1 5 5 THR HA H 1 4.403 0.020 . 1 . . . . 5 THR HA . 25253 1 12 . 1 1 5 5 THR HB H 1 4.607 0.020 . 1 . . . . 5 THR HB . 25253 1 13 . 1 1 5 5 THR HG21 H 1 1.282 0.020 . 1 . . . . 5 THR HG2 . 25253 1 14 . 1 1 5 5 THR HG22 H 1 1.282 0.020 . 1 . . . . 5 THR HG2 . 25253 1 15 . 1 1 5 5 THR HG23 H 1 1.282 0.020 . 1 . . . . 5 THR HG2 . 25253 1 16 . 1 1 5 5 THR N N 15 112.651 0.3 . 1 . . . . 5 THR N . 25253 1 17 . 1 1 6 6 GLU H H 1 8.970 0.020 . 1 . . . . 6 GLU H . 25253 1 18 . 1 1 6 6 GLU HA H 1 3.897 0.020 . 1 . . . . 6 GLU HA . 25253 1 19 . 1 1 6 6 GLU HB2 H 1 1.993 0.020 . 1 . . . . 6 GLU HB2 . 25253 1 20 . 1 1 6 6 GLU HB3 H 1 1.993 0.020 . 1 . . . . 6 GLU HB3 . 25253 1 21 . 1 1 6 6 GLU HG2 H 1 2.316 0.020 . 1 . . . . 6 GLU HG2 . 25253 1 22 . 1 1 6 6 GLU HG3 H 1 2.316 0.020 . 1 . . . . 6 GLU HG3 . 25253 1 23 . 1 1 6 6 GLU N N 15 120.228 0.3 . 1 . . . . 6 GLU N . 25253 1 24 . 1 1 7 7 GLU H H 1 8.628 0.020 . 1 . . . . 7 GLU H . 25253 1 25 . 1 1 7 7 GLU HA H 1 4.046 0.020 . 1 . . . . 7 GLU HA . 25253 1 26 . 1 1 7 7 GLU HB2 H 1 1.964 0.020 . 1 . . . . 7 GLU HB2 . 25253 1 27 . 1 1 7 7 GLU HB3 H 1 1.964 0.020 . 1 . . . . 7 GLU HB3 . 25253 1 28 . 1 1 7 7 GLU HG2 H 1 2.316 0.020 . 1 . . . . 7 GLU HG2 . 25253 1 29 . 1 1 7 7 GLU HG3 H 1 2.316 0.020 . 1 . . . . 7 GLU HG3 . 25253 1 30 . 1 1 7 7 GLU N N 15 119.446 0.3 . 1 . . . . 7 GLU N . 25253 1 31 . 1 1 8 8 GLN H H 1 7.587 0.020 . 1 . . . . 8 GLN H . 25253 1 32 . 1 1 8 8 GLN HA H 1 3.961 0.020 . 1 . . . . 8 GLN HA . 25253 1 33 . 1 1 8 8 GLN HB2 H 1 1.901 0.020 . 1 . . . . 8 GLN HB2 . 25253 1 34 . 1 1 8 8 GLN HB3 H 1 1.901 0.020 . 1 . . . . 8 GLN HB3 . 25253 1 35 . 1 1 8 8 GLN HG2 H 1 2.286 0.020 . 1 . . . . 8 GLN HG2 . 25253 1 36 . 1 1 8 8 GLN HG3 H 1 2.286 0.020 . 1 . . . . 8 GLN HG3 . 25253 1 37 . 1 1 8 8 GLN N N 15 119.987 0.3 . 1 . . . . 8 GLN N . 25253 1 38 . 1 1 9 9 ILE H H 1 8.495 0.020 . 1 . . . . 9 ILE H . 25253 1 39 . 1 1 9 9 ILE HA H 1 3.791 0.020 . 1 . . . . 9 ILE HA . 25253 1 40 . 1 1 9 9 ILE HB H 1 1.889 0.020 . 1 . . . . 9 ILE HB . 25253 1 41 . 1 1 9 9 ILE HG21 H 1 1.024 0.020 . 1 . . . . 9 ILE HG2 . 25253 1 42 . 1 1 9 9 ILE HG22 H 1 1.024 0.020 . 1 . . . . 9 ILE HG2 . 25253 1 43 . 1 1 9 9 ILE HG23 H 1 1.024 0.020 . 1 . . . . 9 ILE HG2 . 25253 1 44 . 1 1 9 9 ILE HD11 H 1 0.783 0.020 . 1 . . . . 9 ILE HD1 . 25253 1 45 . 1 1 9 9 ILE HD12 H 1 0.783 0.020 . 1 . . . . 9 ILE HD1 . 25253 1 46 . 1 1 9 9 ILE HD13 H 1 0.783 0.020 . 1 . . . . 9 ILE HD1 . 25253 1 47 . 1 1 9 9 ILE N N 15 120.186 0.3 . 1 . . . . 9 ILE N . 25253 1 48 . 1 1 10 10 ALA H H 1 8.052 0.020 . 1 . . . . 10 ALA H . 25253 1 49 . 1 1 10 10 ALA HA H 1 4.046 0.020 . 1 . . . . 10 ALA HA . 25253 1 50 . 1 1 10 10 ALA HB1 H 1 1.465 0.020 . 1 . . . . 10 ALA HB . 25253 1 51 . 1 1 10 10 ALA HB2 H 1 1.465 0.020 . 1 . . . . 10 ALA HB . 25253 1 52 . 1 1 10 10 ALA HB3 H 1 1.465 0.020 . 1 . . . . 10 ALA HB . 25253 1 53 . 1 1 10 10 ALA N N 15 121.495 0.3 . 1 . . . . 10 ALA N . 25253 1 54 . 1 1 11 11 GLU H H 1 7.784 0.020 . 1 . . . . 11 GLU H . 25253 1 55 . 1 1 11 11 GLU HA H 1 4.017 0.020 . 1 . . . . 11 GLU HA . 25253 1 56 . 1 1 11 11 GLU HB2 H 1 1.985 0.020 . 1 . . . . 11 GLU HB2 . 25253 1 57 . 1 1 11 11 GLU HB3 H 1 1.985 0.020 . 1 . . . . 11 GLU HB3 . 25253 1 58 . 1 1 11 11 GLU HG2 H 1 2.514 0.020 . 1 . . . . 11 GLU HG2 . 25253 1 59 . 1 1 11 11 GLU HG3 H 1 2.514 0.020 . 1 . . . . 11 GLU HG3 . 25253 1 60 . 1 1 11 11 GLU N N 15 118.214 0.3 . 1 . . . . 11 GLU N . 25253 1 61 . 1 1 12 12 PHE H H 1 8.299 0.020 . 1 . . . . 12 PHE H . 25253 1 62 . 1 1 12 12 PHE HA H 1 4.562 0.020 . 1 . . . . 12 PHE HA . 25253 1 63 . 1 1 12 12 PHE HB2 H 1 3.460 0.020 . 1 . . . . 12 PHE HB2 . 25253 1 64 . 1 1 12 12 PHE HB3 H 1 3.460 0.020 . 1 . . . . 12 PHE HB3 . 25253 1 65 . 1 1 12 12 PHE N N 15 117.041 0.3 . 1 . . . . 12 PHE N . 25253 1 66 . 1 1 13 13 LYS H H 1 9.023 0.020 . 1 . . . . 13 LYS H . 25253 1 67 . 1 1 13 13 LYS HA H 1 3.642 0.020 . 1 . . . . 13 LYS HA . 25253 1 68 . 1 1 13 13 LYS HB2 H 1 1.759 0.020 . 1 . . . . 13 LYS HB2 . 25253 1 69 . 1 1 13 13 LYS HB3 H 1 1.759 0.020 . 1 . . . . 13 LYS HB3 . 25253 1 70 . 1 1 13 13 LYS HG2 H 1 1.524 0.020 . 1 . . . . 13 LYS HG2 . 25253 1 71 . 1 1 13 13 LYS HG3 H 1 1.524 0.020 . 1 . . . . 13 LYS HG3 . 25253 1 72 . 1 1 13 13 LYS N N 15 122.853 0.3 . 1 . . . . 13 LYS N . 25253 1 73 . 1 1 14 14 GLU H H 1 7.906 0.020 . 1 . . . . 14 GLU H . 25253 1 74 . 1 1 14 14 GLU HA H 1 4.041 0.020 . 1 . . . . 14 GLU HA . 25253 1 75 . 1 1 14 14 GLU HB2 H 1 2.155 0.020 . 1 . . . . 14 GLU HB2 . 25253 1 76 . 1 1 14 14 GLU HB3 H 1 2.155 0.020 . 1 . . . . 14 GLU HB3 . 25253 1 77 . 1 1 14 14 GLU HG2 H 1 2.346 0.020 . 1 . . . . 14 GLU HG2 . 25253 1 78 . 1 1 14 14 GLU HG3 H 1 2.346 0.020 . 1 . . . . 14 GLU HG3 . 25253 1 79 . 1 1 14 14 GLU N N 15 120.280 0.3 . 1 . . . . 14 GLU N . 25253 1 80 . 1 1 15 15 ALA H H 1 8.206 0.020 . 1 . . . . 15 ALA H . 25253 1 81 . 1 1 15 15 ALA HA H 1 3.959 0.020 . 1 . . . . 15 ALA HA . 25253 1 82 . 1 1 15 15 ALA HB1 H 1 1.759 0.020 . 1 . . . . 15 ALA HB . 25253 1 83 . 1 1 15 15 ALA HB2 H 1 1.759 0.020 . 1 . . . . 15 ALA HB . 25253 1 84 . 1 1 15 15 ALA HB3 H 1 1.759 0.020 . 1 . . . . 15 ALA HB . 25253 1 85 . 1 1 15 15 ALA N N 15 123.678 0.3 . 1 . . . . 15 ALA N . 25253 1 86 . 1 1 16 16 PHE H H 1 8.544 0.020 . 1 . . . . 16 PHE H . 25253 1 87 . 1 1 16 16 PHE HA H 1 3.301 0.020 . 1 . . . . 16 PHE HA . 25253 1 88 . 1 1 16 16 PHE HB2 H 1 2.653 0.020 . 2 . . . . 16 PHE HB2 . 25253 1 89 . 1 1 16 16 PHE HB3 H 1 2.287 0.020 . 1 . . . . 16 PHE HB3 . 25253 1 90 . 1 1 16 16 PHE N N 15 118.838 0.3 . 1 . . . . 16 PHE N . 25253 1 91 . 1 1 17 17 SER H H 1 7.965 0.020 . 1 . . . . 17 SER H . 25253 1 92 . 1 1 17 17 SER HA H 1 4.024 0.020 . 1 . . . . 17 SER HA . 25253 1 93 . 1 1 17 17 SER HB2 H 1 4.024 0.020 . 1 . . . . 17 SER HB2 . 25253 1 94 . 1 1 17 17 SER HB3 H 1 4.024 0.020 . 1 . . . . 17 SER HB3 . 25253 1 95 . 1 1 17 17 SER N N 15 114.532 0.3 . 1 . . . . 17 SER N . 25253 1 96 . 1 1 18 18 LEU H H 1 7.289 0.020 . 1 . . . . 18 LEU H . 25253 1 97 . 1 1 18 18 LEU HA H 1 3.897 0.020 . 1 . . . . 18 LEU HA . 25253 1 98 . 1 1 18 18 LEU HB2 H 1 1.649 0.020 . 1 . . . . 18 LEU HB2 . 25253 1 99 . 1 1 18 18 LEU HB3 H 1 1.649 0.020 . 1 . . . . 18 LEU HB3 . 25253 1 100 . 1 1 18 18 LEU HG H 1 1.240 0.020 . 1 . . . . 18 LEU HG . 25253 1 101 . 1 1 18 18 LEU HD11 H 1 0.687 0.020 . 1 . . . . 18 LEU HD1 . 25253 1 102 . 1 1 18 18 LEU HD12 H 1 0.687 0.020 . 1 . . . . 18 LEU HD1 . 25253 1 103 . 1 1 18 18 LEU HD13 H 1 0.687 0.020 . 1 . . . . 18 LEU HD1 . 25253 1 104 . 1 1 18 18 LEU HD21 H 1 0.687 0.020 . 1 . . . . 18 LEU HD2 . 25253 1 105 . 1 1 18 18 LEU HD22 H 1 0.687 0.020 . 1 . . . . 18 LEU HD2 . 25253 1 106 . 1 1 18 18 LEU HD23 H 1 0.687 0.020 . 1 . . . . 18 LEU HD2 . 25253 1 107 . 1 1 18 18 LEU N N 15 120.169 0.3 . 1 . . . . 18 LEU N . 25253 1 108 . 1 1 19 19 PHE H H 1 7.093 0.020 . 1 . . . . 19 PHE H . 25253 1 109 . 1 1 19 19 PHE HA H 1 4.125 0.020 . 1 . . . . 19 PHE HA . 25253 1 110 . 1 1 19 19 PHE HB2 H 1 2.683 0.020 . 1 . . . . 19 PHE HB2 . 25253 1 111 . 1 1 19 19 PHE HB3 H 1 2.683 0.020 . 1 . . . . 19 PHE HB3 . 25253 1 112 . 1 1 19 19 PHE N N 15 112.443 0.3 . 1 . . . . 19 PHE N . 25253 1 113 . 1 1 20 20 ASP H H 1 7.547 0.020 . 1 . . . . 20 ASP H . 25253 1 114 . 1 1 20 20 ASP HA H 1 4.498 0.020 . 1 . . . . 20 ASP HA . 25253 1 115 . 1 1 20 20 ASP HB2 H 1 2.274 0.020 . 1 . . . . 20 ASP HB2 . 25253 1 116 . 1 1 20 20 ASP HB3 H 1 2.274 0.020 . 1 . . . . 20 ASP HB3 . 25253 1 117 . 1 1 20 20 ASP N N 15 117.116 0.3 . 1 . . . . 20 ASP N . 25253 1 118 . 1 1 21 21 LYS H H 1 7.617 0.020 . 1 . . . . 21 LYS H . 25253 1 119 . 1 1 21 21 LYS HA H 1 3.944 0.020 . 1 . . . . 21 LYS HA . 25253 1 120 . 1 1 21 21 LYS HB2 H 1 1.803 0.020 . 1 . . . . 21 LYS HB2 . 25253 1 121 . 1 1 21 21 LYS HB3 H 1 1.803 0.020 . 1 . . . . 21 LYS HB3 . 25253 1 122 . 1 1 21 21 LYS HG2 H 1 1.450 0.020 . 1 . . . . 21 LYS HG2 . 25253 1 123 . 1 1 21 21 LYS HG3 H 1 1.450 0.020 . 1 . . . . 21 LYS HG3 . 25253 1 124 . 1 1 21 21 LYS N N 15 124.017 0.3 . 1 . . . . 21 LYS N . 25253 1 125 . 1 1 22 22 ASP H H 1 7.930 0.020 . 1 . . . . 22 ASP H . 25253 1 126 . 1 1 22 22 ASP HA H 1 4.536 0.020 . 1 . . . . 22 ASP HA . 25253 1 127 . 1 1 22 22 ASP HB2 H 1 2.585 0.020 . 1 . . . . 22 ASP HB2 . 25253 1 128 . 1 1 22 22 ASP HB3 H 1 3.023 0.020 . 2 . . . . 22 ASP HB3 . 25253 1 129 . 1 1 22 22 ASP N N 15 113.680 0.3 . 1 . . . . 22 ASP N . 25253 1 130 . 1 1 23 23 GLY H H 1 7.598 0.020 . 1 . . . . 23 GLY H . 25253 1 131 . 1 1 23 23 GLY HA2 H 1 3.833 0.020 . 1 . . . . 23 GLY HA2 . 25253 1 132 . 1 1 23 23 GLY HA3 H 1 3.833 0.020 . 1 . . . . 23 GLY HA3 . 25253 1 133 . 1 1 23 23 GLY N N 15 108.614 0.3 . 1 . . . . 23 GLY N . 25253 1 134 . 1 1 24 24 ASP H H 1 8.417 0.020 . 1 . . . . 24 ASP H . 25253 1 135 . 1 1 24 24 ASP HA H 1 4.472 0.020 . 1 . . . . 24 ASP HA . 25253 1 136 . 1 1 24 24 ASP HB2 H 1 2.995 0.020 . 1 . . . . 24 ASP HB2 . 25253 1 137 . 1 1 24 24 ASP HB3 H 1 2.995 0.020 . 2 . . . . 24 ASP HB3 . 25253 1 138 . 1 1 24 24 ASP N N 15 120.703 0.3 . 1 . . . . 24 ASP N . 25253 1 139 . 1 1 25 25 GLY H H 1 10.444 0.020 . 1 . . . . 25 GLY H . 25253 1 140 . 1 1 25 25 GLY HA2 H 1 3.666 0.020 . 1 . . . . 25 GLY HA2 . 25253 1 141 . 1 1 25 25 GLY HA3 H 1 4.302 0.020 . 2 . . . . 25 GLY HA3 . 25253 1 142 . 1 1 25 25 GLY N N 15 112.393 0.3 . 1 . . . . 25 GLY N . 25253 1 143 . 1 1 26 26 THR H H 1 8.120 0.020 . 1 . . . . 26 THR H . 25253 1 144 . 1 1 26 26 THR HA H 1 5.452 0.020 . 1 . . . . 26 THR HA . 25253 1 145 . 1 1 26 26 THR HG21 H 1 0.980 0.020 . 1 . . . . 26 THR HG2 . 25253 1 146 . 1 1 26 26 THR HG22 H 1 0.980 0.020 . 1 . . . . 26 THR HG2 . 25253 1 147 . 1 1 26 26 THR HG23 H 1 0.980 0.020 . 1 . . . . 26 THR HG2 . 25253 1 148 . 1 1 26 26 THR N N 15 111.768 0.3 . 1 . . . . 26 THR N . 25253 1 149 . 1 1 27 27 ILE H H 1 9.846 0.020 . 1 . . . . 27 ILE H . 25253 1 150 . 1 1 27 27 ILE HA H 1 4.792 0.020 . 1 . . . . 27 ILE HA . 25253 1 151 . 1 1 27 27 ILE HB H 1 1.700 0.020 . 1 . . . . 27 ILE HB . 25253 1 152 . 1 1 27 27 ILE N N 15 126.142 0.3 . 1 . . . . 27 ILE N . 25253 1 153 . 1 1 28 28 THR H H 1 8.412 0.020 . 1 . . . . 28 THR H . 25253 1 154 . 1 1 28 28 THR HA H 1 4.813 0.020 . 1 . . . . 28 THR HA . 25253 1 155 . 1 1 28 28 THR HB H 1 4.693 0.020 . 1 . . . . 28 THR HB . 25253 1 156 . 1 1 28 28 THR HG21 H 1 1.230 0.020 . 1 . . . . 28 THR HG2 . 25253 1 157 . 1 1 28 28 THR HG22 H 1 1.230 0.020 . 1 . . . . 28 THR HG2 . 25253 1 158 . 1 1 28 28 THR HG23 H 1 1.230 0.020 . 1 . . . . 28 THR HG2 . 25253 1 159 . 1 1 28 28 THR N N 15 116.292 0.3 . 1 . . . . 28 THR N . 25253 1 160 . 1 1 29 29 THR H H 1 9.163 0.020 . 1 . . . . 29 THR H . 25253 1 161 . 1 1 29 29 THR HA H 1 3.736 0.020 . 1 . . . . 29 THR HA . 25253 1 162 . 1 1 29 29 THR HB H 1 4.155 0.020 . 1 . . . . 29 THR HB . 25253 1 163 . 1 1 29 29 THR HG21 H 1 1.239 0.020 . 1 . . . . 29 THR HG2 . 25253 1 164 . 1 1 29 29 THR HG22 H 1 1.239 0.020 . 1 . . . . 29 THR HG2 . 25253 1 165 . 1 1 29 29 THR HG23 H 1 1.239 0.020 . 1 . . . . 29 THR HG2 . 25253 1 166 . 1 1 29 29 THR N N 15 112.316 0.3 . 1 . . . . 29 THR N . 25253 1 167 . 1 1 30 30 LYS H H 1 7.575 0.020 . 1 . . . . 30 LYS H . 25253 1 168 . 1 1 30 30 LYS HA H 1 4.089 0.020 . 1 . . . . 30 LYS HA . 25253 1 169 . 1 1 30 30 LYS HB2 H 1 1.805 0.020 . 1 . . . . 30 LYS HB2 . 25253 1 170 . 1 1 30 30 LYS HB3 H 1 1.805 0.020 . 1 . . . . 30 LYS HB3 . 25253 1 171 . 1 1 30 30 LYS HG2 H 1 1.324 0.020 . 1 . . . . 30 LYS HG2 . 25253 1 172 . 1 1 30 30 LYS HG3 H 1 1.324 0.020 . 1 . . . . 30 LYS HG3 . 25253 1 173 . 1 1 30 30 LYS N N 15 120.699 0.3 . 1 . . . . 30 LYS N . 25253 1 174 . 1 1 31 31 GLU H H 1 7.653 0.020 . 1 . . . . 31 GLU H . 25253 1 175 . 1 1 31 31 GLU HA H 1 4.046 0.020 . 1 . . . . 31 GLU HA . 25253 1 176 . 1 1 31 31 GLU HB2 H 1 1.788 0.020 . 1 . . . . 31 GLU HB2 . 25253 1 177 . 1 1 31 31 GLU HB3 H 1 1.788 0.020 . 1 . . . . 31 GLU HB3 . 25253 1 178 . 1 1 31 31 GLU HG2 H 1 2.345 0.020 . 1 . . . . 31 GLU HG2 . 25253 1 179 . 1 1 31 31 GLU HG3 H 1 2.345 0.020 . 1 . . . . 31 GLU HG3 . 25253 1 180 . 1 1 31 31 GLU N N 15 121.230 0.3 . 1 . . . . 31 GLU N . 25253 1 181 . 1 1 32 32 LEU H H 1 8.793 0.020 . 1 . . . . 32 LEU H . 25253 1 182 . 1 1 32 32 LEU HA H 1 4.238 0.020 . 1 . . . . 32 LEU HA . 25253 1 183 . 1 1 32 32 LEU HB2 H 1 1.964 0.020 . 1 . . . . 32 LEU HB2 . 25253 1 184 . 1 1 32 32 LEU HB3 H 1 1.964 0.020 . 1 . . . . 32 LEU HB3 . 25253 1 185 . 1 1 32 32 LEU HG H 1 1.436 0.020 . 1 . . . . 32 LEU HG . 25253 1 186 . 1 1 32 32 LEU N N 15 120.113 0.3 . 1 . . . . 32 LEU N . 25253 1 187 . 1 1 33 33 GLY H H 1 8.797 0.020 . 1 . . . . 33 GLY H . 25253 1 188 . 1 1 33 33 GLY HA2 H 1 4.004 0.020 . 1 . . . . 33 GLY HA2 . 25253 1 189 . 1 1 33 33 GLY HA3 H 1 3.514 0.020 . 2 . . . . 33 GLY HA3 . 25253 1 190 . 1 1 33 33 GLY N N 15 105.542 0.3 . 1 . . . . 33 GLY N . 25253 1 191 . 1 1 34 34 THR H H 1 7.861 0.020 . 1 . . . . 34 THR H . 25253 1 192 . 1 1 34 34 THR HA H 1 3.897 0.020 . 1 . . . . 34 THR HA . 25253 1 193 . 1 1 34 34 THR HB H 1 4.257 0.020 . 1 . . . . 34 THR HB . 25253 1 194 . 1 1 34 34 THR HG21 H 1 1.252 0.020 . 1 . . . . 34 THR HG2 . 25253 1 195 . 1 1 34 34 THR HG22 H 1 1.252 0.020 . 1 . . . . 34 THR HG2 . 25253 1 196 . 1 1 34 34 THR HG23 H 1 1.252 0.020 . 1 . . . . 34 THR HG2 . 25253 1 197 . 1 1 34 34 THR N N 15 117.079 0.3 . 1 . . . . 34 THR N . 25253 1 198 . 1 1 35 35 VAL H H 1 7.338 0.020 . 1 . . . . 35 VAL H . 25253 1 199 . 1 1 35 35 VAL HA H 1 3.557 0.020 . 1 . . . . 35 VAL HA . 25253 1 200 . 1 1 35 35 VAL HB H 1 1.973 0.020 . 1 . . . . 35 VAL HB . 25253 1 201 . 1 1 35 35 VAL HG11 H 1 0.711 0.020 . 1 . . . . 35 VAL HG1 . 25253 1 202 . 1 1 35 35 VAL HG12 H 1 0.711 0.020 . 1 . . . . 35 VAL HG1 . 25253 1 203 . 1 1 35 35 VAL HG13 H 1 0.711 0.020 . 1 . . . . 35 VAL HG1 . 25253 1 204 . 1 1 35 35 VAL HG21 H 1 0.423 0.020 . 1 . . . . 35 VAL HG2 . 25253 1 205 . 1 1 35 35 VAL HG22 H 1 0.423 0.020 . 1 . . . . 35 VAL HG2 . 25253 1 206 . 1 1 35 35 VAL HG23 H 1 0.423 0.020 . 1 . . . . 35 VAL HG2 . 25253 1 207 . 1 1 35 35 VAL N N 15 121.328 0.3 . 1 . . . . 35 VAL N . 25253 1 208 . 1 1 36 36 MET H H 1 8.572 0.020 . 1 . . . . 36 MET H . 25253 1 209 . 1 1 36 36 MET HA H 1 3.974 0.020 . 1 . . . . 36 MET HA . 25253 1 210 . 1 1 36 36 MET HB2 H 1 1.685 0.020 . 1 . . . . 36 MET HB2 . 25253 1 211 . 1 1 36 36 MET HB3 H 1 1.685 0.020 . 1 . . . . 36 MET HB3 . 25253 1 212 . 1 1 36 36 MET HG2 H 1 2.067 0.020 . 1 . . . . 36 MET HG2 . 25253 1 213 . 1 1 36 36 MET HG3 H 1 2.067 0.020 . 1 . . . . 36 MET HG3 . 25253 1 214 . 1 1 36 36 MET N N 15 117.074 0.3 . 1 . . . . 36 MET N . 25253 1 215 . 1 1 37 37 ARG H H 1 8.369 0.020 . 1 . . . . 37 ARG H . 25253 1 216 . 1 1 37 37 ARG HA H 1 4.792 0.020 . 1 . . . . 37 ARG HA . 25253 1 217 . 1 1 37 37 ARG HB2 H 1 1.847 0.020 . 1 . . . . 37 ARG HB2 . 25253 1 218 . 1 1 37 37 ARG HB3 H 1 1.847 0.020 . 1 . . . . 37 ARG HB3 . 25253 1 219 . 1 1 37 37 ARG HG2 H 1 2.008 0.020 . 1 . . . . 37 ARG HG2 . 25253 1 220 . 1 1 37 37 ARG HG3 H 1 2.008 0.020 . 1 . . . . 37 ARG HG3 . 25253 1 221 . 1 1 37 37 ARG N N 15 118.190 0.3 . 1 . . . . 37 ARG N . 25253 1 222 . 1 1 38 38 SER H H 1 7.923 0.020 . 1 . . . . 38 SER H . 25253 1 223 . 1 1 38 38 SER HA H 1 4.209 0.020 . 1 . . . . 38 SER HA . 25253 1 224 . 1 1 38 38 SER HB2 H 1 4.089 0.020 . 1 . . . . 38 SER HB2 . 25253 1 225 . 1 1 38 38 SER HB3 H 1 4.089 0.020 . 1 . . . . 38 SER HB3 . 25253 1 226 . 1 1 38 38 SER N N 15 117.968 0.3 . 1 . . . . 38 SER N . 25253 1 227 . 1 1 39 39 LEU H H 1 7.414 0.020 . 1 . . . . 39 LEU H . 25253 1 228 . 1 1 39 39 LEU HA H 1 4.196 0.020 . 1 . . . . 39 LEU HA . 25253 1 229 . 1 1 39 39 LEU HB2 H 1 1.745 0.020 . 1 . . . . 39 LEU HB2 . 25253 1 230 . 1 1 39 39 LEU HB3 H 1 1.745 0.020 . 1 . . . . 39 LEU HB3 . 25253 1 231 . 1 1 39 39 LEU HG H 1 1.673 0.020 . 1 . . . . 39 LEU HG . 25253 1 232 . 1 1 39 39 LEU HD11 H 1 0.627 0.020 . 1 . . . . 39 LEU HD1 . 25253 1 233 . 1 1 39 39 LEU HD12 H 1 0.627 0.020 . 1 . . . . 39 LEU HD1 . 25253 1 234 . 1 1 39 39 LEU HD13 H 1 0.627 0.020 . 1 . . . . 39 LEU HD1 . 25253 1 235 . 1 1 39 39 LEU HD21 H 1 0.627 0.020 . 1 . . . . 39 LEU HD2 . 25253 1 236 . 1 1 39 39 LEU HD22 H 1 0.627 0.020 . 1 . . . . 39 LEU HD2 . 25253 1 237 . 1 1 39 39 LEU HD23 H 1 0.627 0.020 . 1 . . . . 39 LEU HD2 . 25253 1 238 . 1 1 39 39 LEU N N 15 117.716 0.3 . 1 . . . . 39 LEU N . 25253 1 239 . 1 1 40 40 GLY H H 1 7.706 0.020 . 1 . . . . 40 GLY H . 25253 1 240 . 1 1 40 40 GLY HA2 H 1 3.727 0.020 . 1 . . . . 40 GLY HA2 . 25253 1 241 . 1 1 40 40 GLY HA3 H 1 3.727 0.020 . 2 . . . . 40 GLY HA3 . 25253 1 242 . 1 1 40 40 GLY N N 15 106.394 0.3 . 1 . . . . 40 GLY N . 25253 1 243 . 1 1 41 41 GLN H H 1 7.887 0.020 . 1 . . . . 41 GLN H . 25253 1 244 . 1 1 41 41 GLN HA H 1 4.389 0.020 . 1 . . . . 41 GLN HA . 25253 1 245 . 1 1 41 41 GLN HB2 H 1 1.589 0.020 . 1 . . . . 41 GLN HB2 . 25253 1 246 . 1 1 41 41 GLN HB3 H 1 1.589 0.020 . 1 . . . . 41 GLN HB3 . 25253 1 247 . 1 1 41 41 GLN HG2 H 1 2.118 0.020 . 1 . . . . 41 GLN HG2 . 25253 1 248 . 1 1 41 41 GLN HG3 H 1 2.118 0.020 . 1 . . . . 41 GLN HG3 . 25253 1 249 . 1 1 41 41 GLN N N 15 118.053 0.3 . 1 . . . . 41 GLN N . 25253 1 250 . 1 1 42 42 ASN H H 1 8.640 0.020 . 1 . . . . 42 ASN H . 25253 1 251 . 1 1 42 42 ASN HA H 1 5.133 0.020 . 1 . . . . 42 ASN HA . 25253 1 252 . 1 1 42 42 ASN HB2 H 1 2.419 0.020 . 1 . . . . 42 ASN HB2 . 25253 1 253 . 1 1 42 42 ASN HB3 H 1 2.741 0.020 . 2 . . . . 42 ASN HB3 . 25253 1 254 . 1 1 42 42 ASN N N 15 115.831 0.3 . 1 . . . . 42 ASN N . 25253 1 255 . 1 1 44 44 THR H H 1 8.770 0.020 . 1 . . . . 44 THR H . 25253 1 256 . 1 1 44 44 THR HA H 1 4.360 0.020 . 1 . . . . 44 THR HA . 25253 1 257 . 1 1 44 44 THR HB H 1 4.726 0.020 . 1 . . . . 44 THR HB . 25253 1 258 . 1 1 44 44 THR HG21 H 1 1.282 0.020 . 1 . . . . 44 THR HG2 . 25253 1 259 . 1 1 44 44 THR HG22 H 1 1.282 0.020 . 1 . . . . 44 THR HG2 . 25253 1 260 . 1 1 44 44 THR HG23 H 1 1.282 0.020 . 1 . . . . 44 THR HG2 . 25253 1 261 . 1 1 44 44 THR N N 15 112.903 0.3 . 1 . . . . 44 THR N . 25253 1 262 . 1 1 45 45 GLU H H 1 8.769 0.020 . 1 . . . . 45 GLU H . 25253 1 263 . 1 1 45 45 GLU HA H 1 3.961 0.020 . 1 . . . . 45 GLU HA . 25253 1 264 . 1 1 45 45 GLU HB2 H 1 2.008 0.020 . 1 . . . . 45 GLU HB2 . 25253 1 265 . 1 1 45 45 GLU HB3 H 1 2.008 0.020 . 1 . . . . 45 GLU HB3 . 25253 1 266 . 1 1 45 45 GLU HG2 H 1 2.301 0.020 . 1 . . . . 45 GLU HG2 . 25253 1 267 . 1 1 45 45 GLU HG3 H 1 2.301 0.020 . 1 . . . . 45 GLU HG3 . 25253 1 268 . 1 1 45 45 GLU N N 15 120.256 0.3 . 1 . . . . 45 GLU N . 25253 1 269 . 1 1 46 46 ALA H H 1 8.231 0.020 . 1 . . . . 46 ALA H . 25253 1 270 . 1 1 46 46 ALA HA H 1 4.089 0.020 . 1 . . . . 46 ALA HA . 25253 1 271 . 1 1 46 46 ALA HB1 H 1 1.336 0.020 . 1 . . . . 46 ALA HB . 25253 1 272 . 1 1 46 46 ALA HB2 H 1 1.336 0.020 . 1 . . . . 46 ALA HB . 25253 1 273 . 1 1 46 46 ALA HB3 H 1 1.336 0.020 . 1 . . . . 46 ALA HB . 25253 1 274 . 1 1 46 46 ALA N N 15 120.661 0.3 . 1 . . . . 46 ALA N . 25253 1 275 . 1 1 47 47 GLU H H 1 7.648 0.020 . 1 . . . . 47 GLU H . 25253 1 276 . 1 1 47 47 GLU HA H 1 3.969 0.020 . 1 . . . . 47 GLU HA . 25253 1 277 . 1 1 47 47 GLU HB2 H 1 1.889 0.020 . 1 . . . . 47 GLU HB2 . 25253 1 278 . 1 1 47 47 GLU HB3 H 1 1.889 0.020 . 1 . . . . 47 GLU HB3 . 25253 1 279 . 1 1 47 47 GLU HG2 H 1 2.310 0.020 . 1 . . . . 47 GLU HG2 . 25253 1 280 . 1 1 47 47 GLU HG3 H 1 2.310 0.020 . 1 . . . . 47 GLU HG3 . 25253 1 281 . 1 1 47 47 GLU N N 15 118.577 0.3 . 1 . . . . 47 GLU N . 25253 1 282 . 1 1 48 48 LEU H H 1 8.347 0.020 . 1 . . . . 48 LEU H . 25253 1 283 . 1 1 48 48 LEU HA H 1 4.196 0.020 . 1 . . . . 48 LEU HA . 25253 1 284 . 1 1 48 48 LEU HB2 H 1 1.613 0.020 . 1 . . . . 48 LEU HB2 . 25253 1 285 . 1 1 48 48 LEU HB3 H 1 1.613 0.020 . 1 . . . . 48 LEU HB3 . 25253 1 286 . 1 1 48 48 LEU HG H 1 1.673 0.020 . 1 . . . . 48 LEU HG . 25253 1 287 . 1 1 48 48 LEU HD11 H 1 1.180 0.020 . 1 . . . . 48 LEU HD1 . 25253 1 288 . 1 1 48 48 LEU HD12 H 1 1.180 0.020 . 1 . . . . 48 LEU HD1 . 25253 1 289 . 1 1 48 48 LEU HD13 H 1 1.180 0.020 . 1 . . . . 48 LEU HD1 . 25253 1 290 . 1 1 48 48 LEU HD21 H 1 0.819 0.020 . 1 . . . . 48 LEU HD2 . 25253 1 291 . 1 1 48 48 LEU HD22 H 1 0.819 0.020 . 1 . . . . 48 LEU HD2 . 25253 1 292 . 1 1 48 48 LEU HD23 H 1 0.819 0.020 . 1 . . . . 48 LEU HD2 . 25253 1 293 . 1 1 48 48 LEU N N 15 120.102 0.3 . 1 . . . . 48 LEU N . 25253 1 294 . 1 1 49 49 GLN H H 1 7.993 0.020 . 1 . . . . 49 GLN H . 25253 1 295 . 1 1 49 49 GLN HA H 1 3.983 0.020 . 1 . . . . 49 GLN HA . 25253 1 296 . 1 1 49 49 GLN N N 15 118.060 0.3 . 1 . . . . 49 GLN N . 25253 1 297 . 1 1 50 50 ASP H H 1 7.870 0.020 . 1 . . . . 50 ASP H . 25253 1 298 . 1 1 50 50 ASP HA H 1 4.209 0.020 . 1 . . . . 50 ASP HA . 25253 1 299 . 1 1 50 50 ASP HB2 H 1 2.695 0.020 . 1 . . . . 50 ASP HB2 . 25253 1 300 . 1 1 50 50 ASP HB3 H 1 2.695 0.020 . 1 . . . . 50 ASP HB3 . 25253 1 301 . 1 1 50 50 ASP N N 15 119.027 0.3 . 1 . . . . 50 ASP N . 25253 1 302 . 1 1 51 51 MET H H 1 7.906 0.020 . 1 . . . . 51 MET H . 25253 1 303 . 1 1 51 51 MET HA H 1 4.046 0.020 . 1 . . . . 51 MET HA . 25253 1 304 . 1 1 51 51 MET HB2 H 1 1.769 0.020 . 1 . . . . 51 MET HB2 . 25253 1 305 . 1 1 51 51 MET HB3 H 1 1.769 0.020 . 1 . . . . 51 MET HB3 . 25253 1 306 . 1 1 51 51 MET HG2 H 1 1.432 0.020 . 1 . . . . 51 MET HG2 . 25253 1 307 . 1 1 51 51 MET HG3 H 1 1.432 0.020 . 1 . . . . 51 MET HG3 . 25253 1 308 . 1 1 51 51 MET N N 15 120.127 0.3 . 1 . . . . 51 MET N . 25253 1 309 . 1 1 52 52 ILE H H 1 7.809 0.020 . 1 . . . . 52 ILE H . 25253 1 310 . 1 1 52 52 ILE HA H 1 3.488 0.020 . 1 . . . . 52 ILE HA . 25253 1 311 . 1 1 52 52 ILE HB H 1 2.009 0.020 . 1 . . . . 52 ILE HB . 25253 1 312 . 1 1 52 52 ILE HG12 H 1 0.771 0.020 . 1 . . . . 52 ILE HG12 . 25253 1 313 . 1 1 52 52 ILE HG13 H 1 0.771 0.020 . 1 . . . . 52 ILE HG13 . 25253 1 314 . 1 1 52 52 ILE HG21 H 1 1.228 0.020 . 1 . . . . 52 ILE HG2 . 25253 1 315 . 1 1 52 52 ILE HG22 H 1 1.228 0.020 . 1 . . . . 52 ILE HG2 . 25253 1 316 . 1 1 52 52 ILE HG23 H 1 1.228 0.020 . 1 . . . . 52 ILE HG2 . 25253 1 317 . 1 1 52 52 ILE HD11 H 1 0.675 0.020 . 1 . . . . 52 ILE HD1 . 25253 1 318 . 1 1 52 52 ILE HD12 H 1 0.675 0.020 . 1 . . . . 52 ILE HD1 . 25253 1 319 . 1 1 52 52 ILE HD13 H 1 0.675 0.020 . 1 . . . . 52 ILE HD1 . 25253 1 320 . 1 1 52 52 ILE N N 15 116.828 0.3 . 1 . . . . 52 ILE N . 25253 1 321 . 1 1 53 53 ASN H H 1 8.303 0.020 . 1 . . . . 53 ASN H . 25253 1 322 . 1 1 53 53 ASN HA H 1 4.600 0.020 . 1 . . . . 53 ASN HA . 25253 1 323 . 1 1 53 53 ASN HB2 H 1 2.903 0.020 . 1 . . . . 53 ASN HB2 . 25253 1 324 . 1 1 53 53 ASN HB3 H 1 2.903 0.020 . 1 . . . . 53 ASN HB3 . 25253 1 325 . 1 1 53 53 ASN N N 15 117.324 0.3 . 1 . . . . 53 ASN N . 25253 1 326 . 1 1 54 54 GLU H H 1 7.495 0.020 . 1 . . . . 54 GLU H . 25253 1 327 . 1 1 54 54 GLU HA H 1 4.005 0.020 . 1 . . . . 54 GLU HA . 25253 1 328 . 1 1 54 54 GLU HB2 H 1 2.058 0.020 . 1 . . . . 54 GLU HB2 . 25253 1 329 . 1 1 54 54 GLU HB3 H 1 2.058 0.020 . 1 . . . . 54 GLU HB3 . 25253 1 330 . 1 1 54 54 GLU HG2 H 1 2.322 0.020 . 1 . . . . 54 GLU HG2 . 25253 1 331 . 1 1 54 54 GLU HG3 H 1 2.322 0.020 . 1 . . . . 54 GLU HG3 . 25253 1 332 . 1 1 54 54 GLU N N 15 116.850 0.3 . 1 . . . . 54 GLU N . 25253 1 333 . 1 1 55 55 VAL H H 1 7.266 0.020 . 1 . . . . 55 VAL H . 25253 1 334 . 1 1 55 55 VAL HA H 1 4.089 0.020 . 1 . . . . 55 VAL HA . 25253 1 335 . 1 1 55 55 VAL HB H 1 2.021 0.020 . 1 . . . . 55 VAL HB . 25253 1 336 . 1 1 55 55 VAL HG11 H 1 1.024 0.020 . 1 . . . . 55 VAL HG1 . 25253 1 337 . 1 1 55 55 VAL HG12 H 1 1.024 0.020 . 1 . . . . 55 VAL HG1 . 25253 1 338 . 1 1 55 55 VAL HG13 H 1 1.024 0.020 . 1 . . . . 55 VAL HG1 . 25253 1 339 . 1 1 55 55 VAL HG21 H 1 1.024 0.020 . 1 . . . . 55 VAL HG2 . 25253 1 340 . 1 1 55 55 VAL HG22 H 1 1.024 0.020 . 1 . . . . 55 VAL HG2 . 25253 1 341 . 1 1 55 55 VAL HG23 H 1 1.024 0.020 . 1 . . . . 55 VAL HG2 . 25253 1 342 . 1 1 55 55 VAL N N 15 114.505 0.3 . 1 . . . . 55 VAL N . 25253 1 343 . 1 1 56 56 ASP H H 1 8.017 0.020 . 1 . . . . 56 ASP H . 25253 1 344 . 1 1 56 56 ASP HA H 1 4.472 0.020 . 1 . . . . 56 ASP HA . 25253 1 345 . 1 1 56 56 ASP HB2 H 1 2.683 0.020 . 1 . . . . 56 ASP HB2 . 25253 1 346 . 1 1 56 56 ASP HB3 H 1 2.683 0.020 . 2 . . . . 56 ASP HB3 . 25253 1 347 . 1 1 56 56 ASP N N 15 119.568 0.3 . 1 . . . . 56 ASP N . 25253 1 348 . 1 1 57 57 ALA H H 1 8.225 0.020 . 1 . . . . 57 ALA H . 25253 1 349 . 1 1 57 57 ALA HA H 1 4.209 0.020 . 1 . . . . 57 ALA HA . 25253 1 350 . 1 1 57 57 ALA HB1 H 1 1.465 0.020 . 1 . . . . 57 ALA HB . 25253 1 351 . 1 1 57 57 ALA HB2 H 1 1.465 0.020 . 1 . . . . 57 ALA HB . 25253 1 352 . 1 1 57 57 ALA HB3 H 1 1.465 0.020 . 1 . . . . 57 ALA HB . 25253 1 353 . 1 1 57 57 ALA N N 15 131.372 0.3 . 1 . . . . 57 ALA N . 25253 1 354 . 1 1 58 58 ASP H H 1 8.239 0.020 . 1 . . . . 58 ASP H . 25253 1 355 . 1 1 58 58 ASP HA H 1 4.564 0.020 . 1 . . . . 58 ASP HA . 25253 1 356 . 1 1 58 58 ASP HB2 H 1 2.976 0.020 . 1 . . . . 58 ASP HB2 . 25253 1 357 . 1 1 58 58 ASP HB3 H 1 2.976 0.020 . 2 . . . . 58 ASP HB3 . 25253 1 358 . 1 1 58 58 ASP N N 15 114.238 0.3 . 1 . . . . 58 ASP N . 25253 1 359 . 1 1 59 59 GLY H H 1 7.615 0.020 . 1 . . . . 59 GLY H . 25253 1 360 . 1 1 59 59 GLY HA2 H 1 3.833 0.020 . 1 . . . . 59 GLY HA2 . 25253 1 361 . 1 1 59 59 GLY HA3 H 1 3.833 0.020 . 1 . . . . 59 GLY HA3 . 25253 1 362 . 1 1 59 59 GLY N N 15 108.616 0.3 . 1 . . . . 59 GLY N . 25253 1 363 . 1 1 60 60 ASN H H 1 8.193 0.020 . 1 . . . . 60 ASN H . 25253 1 364 . 1 1 60 60 ASN HA H 1 4.579 0.020 . 1 . . . . 60 ASN HA . 25253 1 365 . 1 1 60 60 ASN HB2 H 1 2.622 0.020 . 1 . . . . 60 ASN HB2 . 25253 1 366 . 1 1 60 60 ASN HB3 H 1 3.260 0.020 . 2 . . . . 60 ASN HB3 . 25253 1 367 . 1 1 60 60 ASN N N 15 118.664 0.3 . 1 . . . . 60 ASN N . 25253 1 368 . 1 1 61 61 GLY H H 1 10.347 0.020 . 1 . . . . 61 GLY H . 25253 1 369 . 1 1 61 61 GLY HA2 H 1 4.259 0.020 . 1 . . . . 61 GLY HA2 . 25253 1 370 . 1 1 61 61 GLY HA3 H 1 4.259 0.020 . 2 . . . . 61 GLY HA3 . 25253 1 371 . 1 1 61 61 GLY N N 15 112.638 0.3 . 1 . . . . 61 GLY N . 25253 1 372 . 1 1 62 62 THR H H 1 7.591 0.020 . 1 . . . . 62 THR H . 25253 1 373 . 1 1 62 62 THR HA H 1 4.771 0.020 . 1 . . . . 62 THR HA . 25253 1 374 . 1 1 62 62 THR HB H 1 4.693 0.020 . 1 . . . . 62 THR HB . 25253 1 375 . 1 1 62 62 THR HG21 H 1 1.099 0.020 . 1 . . . . 62 THR HG2 . 25253 1 376 . 1 1 62 62 THR HG22 H 1 1.099 0.020 . 1 . . . . 62 THR HG2 . 25253 1 377 . 1 1 62 62 THR HG23 H 1 1.099 0.020 . 1 . . . . 62 THR HG2 . 25253 1 378 . 1 1 62 62 THR N N 15 108.140 0.3 . 1 . . . . 62 THR N . 25253 1 379 . 1 1 63 63 ILE H H 1 8.552 0.020 . 1 . . . . 63 ILE H . 25253 1 380 . 1 1 63 63 ILE HA H 1 4.913 0.020 . 1 . . . . 63 ILE HA . 25253 1 381 . 1 1 63 63 ILE HB H 1 1.979 0.020 . 1 . . . . 63 ILE HB . 25253 1 382 . 1 1 63 63 ILE HG21 H 1 1.128 0.020 . 1 . . . . 63 ILE HG2 . 25253 1 383 . 1 1 63 63 ILE HG22 H 1 1.128 0.020 . 1 . . . . 63 ILE HG2 . 25253 1 384 . 1 1 63 63 ILE HG23 H 1 1.128 0.020 . 1 . . . . 63 ILE HG2 . 25253 1 385 . 1 1 63 63 ILE HD11 H 1 0.746 0.020 . 1 . . . . 63 ILE HD1 . 25253 1 386 . 1 1 63 63 ILE HD12 H 1 0.746 0.020 . 1 . . . . 63 ILE HD1 . 25253 1 387 . 1 1 63 63 ILE HD13 H 1 0.746 0.020 . 1 . . . . 63 ILE HD1 . 25253 1 388 . 1 1 63 63 ILE N N 15 122.617 0.3 . 1 . . . . 63 ILE N . 25253 1 389 . 1 1 64 64 ASP H H 1 9.118 0.020 . 1 . . . . 64 ASP H . 25253 1 390 . 1 1 64 64 ASP HA H 1 5.426 0.020 . 1 . . . . 64 ASP HA . 25253 1 391 . 1 1 64 64 ASP HB2 H 1 2.874 0.020 . 1 . . . . 64 ASP HB2 . 25253 1 392 . 1 1 64 64 ASP HB3 H 1 2.874 0.020 . 1 . . . . 64 ASP HB3 . 25253 1 393 . 1 1 64 64 ASP N N 15 128.589 0.3 . 1 . . . . 64 ASP N . 25253 1 394 . 1 1 65 65 PHE H H 1 8.866 0.020 . 1 . . . . 65 PHE H . 25253 1 395 . 1 1 65 65 PHE HA H 1 3.666 0.020 . 1 . . . . 65 PHE HA . 25253 1 396 . 1 1 65 65 PHE HB2 H 1 1.803 0.020 . 1 . . . . 65 PHE HB2 . 25253 1 397 . 1 1 65 65 PHE HB3 H 1 1.803 0.020 . 1 . . . . 65 PHE HB3 . 25253 1 398 . 1 1 65 65 PHE N N 15 118.902 0.3 . 1 . . . . 65 PHE N . 25253 1 399 . 1 1 67 67 GLU H H 1 7.602 0.020 . 1 . . . . 67 GLU H . 25253 1 400 . 1 1 67 67 GLU HA H 1 4.259 0.020 . 1 . . . . 67 GLU HA . 25253 1 401 . 1 1 67 67 GLU HB2 H 1 2.033 0.020 . 1 . . . . 67 GLU HB2 . 25253 1 402 . 1 1 67 67 GLU HB3 H 1 2.033 0.020 . 1 . . . . 67 GLU HB3 . 25253 1 403 . 1 1 67 67 GLU HG2 H 1 2.370 0.020 . 1 . . . . 67 GLU HG2 . 25253 1 404 . 1 1 67 67 GLU HG3 H 1 2.370 0.020 . 1 . . . . 67 GLU HG3 . 25253 1 405 . 1 1 67 67 GLU N N 15 118.591 0.3 . 1 . . . . 67 GLU N . 25253 1 406 . 1 1 68 68 PHE H H 1 8.157 0.020 . 1 . . . . 68 PHE H . 25253 1 407 . 1 1 68 68 PHE HA H 1 3.768 0.020 . 1 . . . . 68 PHE HA . 25253 1 408 . 1 1 68 68 PHE HB2 H 1 3.372 0.020 . 1 . . . . 68 PHE HB2 . 25253 1 409 . 1 1 68 68 PHE HB3 H 1 3.372 0.020 . 1 . . . . 68 PHE HB3 . 25253 1 410 . 1 1 68 68 PHE N N 15 123.063 0.3 . 1 . . . . 68 PHE N . 25253 1 411 . 1 1 69 69 LEU H H 1 8.746 0.020 . 1 . . . . 69 LEU H . 25253 1 412 . 1 1 69 69 LEU HA H 1 3.131 0.020 . 1 . . . . 69 LEU HA . 25253 1 413 . 1 1 69 69 LEU N N 15 119.516 0.3 . 1 . . . . 69 LEU N . 25253 1 414 . 1 1 70 70 THR H H 1 7.992 0.020 . 1 . . . . 70 THR H . 25253 1 415 . 1 1 70 70 THR HA H 1 3.642 0.020 . 1 . . . . 70 THR HA . 25253 1 416 . 1 1 70 70 THR HB H 1 4.024 0.020 . 1 . . . . 70 THR HB . 25253 1 417 . 1 1 70 70 THR HG21 H 1 1.130 0.020 . 1 . . . . 70 THR HG2 . 25253 1 418 . 1 1 70 70 THR HG22 H 1 1.130 0.020 . 1 . . . . 70 THR HG2 . 25253 1 419 . 1 1 70 70 THR HG23 H 1 1.130 0.020 . 1 . . . . 70 THR HG2 . 25253 1 420 . 1 1 70 70 THR N N 15 113.666 0.3 . 1 . . . . 70 THR N . 25253 1 421 . 1 1 71 71 MET H H 1 7.230 0.020 . 1 . . . . 71 MET H . 25253 1 422 . 1 1 71 71 MET HA H 1 4.046 0.020 . 1 . . . . 71 MET HA . 25253 1 423 . 1 1 71 71 MET HB2 H 1 1.901 0.020 . 1 . . . . 71 MET HB2 . 25253 1 424 . 1 1 71 71 MET HB3 H 1 1.901 0.020 . 1 . . . . 71 MET HB3 . 25253 1 425 . 1 1 71 71 MET HG2 H 1 2.118 0.020 . 1 . . . . 71 MET HG2 . 25253 1 426 . 1 1 71 71 MET HG3 H 1 2.118 0.020 . 1 . . . . 71 MET HG3 . 25253 1 427 . 1 1 71 71 MET N N 15 119.457 0.3 . 1 . . . . 71 MET N . 25253 1 428 . 1 1 72 72 MET H H 1 7.834 0.020 . 1 . . . . 72 MET H . 25253 1 429 . 1 1 72 72 MET HA H 1 3.969 0.020 . 1 . . . . 72 MET HA . 25253 1 430 . 1 1 72 72 MET HB2 H 1 1.877 0.020 . 1 . . . . 72 MET HB2 . 25253 1 431 . 1 1 72 72 MET HB3 H 1 1.877 0.020 . 1 . . . . 72 MET HB3 . 25253 1 432 . 1 1 72 72 MET HG2 H 1 2.154 0.020 . 1 . . . . 72 MET HG2 . 25253 1 433 . 1 1 72 72 MET HG3 H 1 2.154 0.020 . 1 . . . . 72 MET HG3 . 25253 1 434 . 1 1 72 72 MET N N 15 116.203 0.3 . 1 . . . . 72 MET N . 25253 1 435 . 1 1 73 73 ALA H H 1 8.421 0.020 . 1 . . . . 73 ALA H . 25253 1 436 . 1 1 73 73 ALA HA H 1 3.919 0.020 . 1 . . . . 73 ALA HA . 25253 1 437 . 1 1 73 73 ALA HB1 H 1 1.240 0.020 . 1 . . . . 73 ALA HB . 25253 1 438 . 1 1 73 73 ALA HB2 H 1 1.240 0.020 . 1 . . . . 73 ALA HB . 25253 1 439 . 1 1 73 73 ALA HB3 H 1 1.240 0.020 . 1 . . . . 73 ALA HB . 25253 1 440 . 1 1 73 73 ALA N N 15 119.949 0.3 . 1 . . . . 73 ALA N . 25253 1 441 . 1 1 74 74 ARG H H 1 7.370 0.020 . 1 . . . . 74 ARG H . 25253 1 442 . 1 1 74 74 ARG HA H 1 4.032 0.020 . 1 . . . . 74 ARG HA . 25253 1 443 . 1 1 74 74 ARG HB2 H 1 1.865 0.020 . 1 . . . . 74 ARG HB2 . 25253 1 444 . 1 1 74 74 ARG HB3 H 1 1.865 0.020 . 1 . . . . 74 ARG HB3 . 25253 1 445 . 1 1 74 74 ARG HG2 H 1 1.649 0.020 . 1 . . . . 74 ARG HG2 . 25253 1 446 . 1 1 74 74 ARG HG3 H 1 1.649 0.020 . 1 . . . . 74 ARG HG3 . 25253 1 447 . 1 1 74 74 ARG N N 15 116.307 0.3 . 1 . . . . 74 ARG N . 25253 1 448 . 1 1 75 75 LYS H H 1 7.863 0.020 . 1 . . . . 75 LYS H . 25253 1 449 . 1 1 75 75 LYS HA H 1 4.329 0.020 . 1 . . . . 75 LYS HA . 25253 1 450 . 1 1 75 75 LYS N N 15 120.043 0.3 . 1 . . . . 75 LYS N . 25253 1 451 . 1 1 76 76 MET H H 1 8.075 0.020 . 1 . . . . 76 MET H . 25253 1 452 . 1 1 76 76 MET HA H 1 4.302 0.020 . 1 . . . . 76 MET HA . 25253 1 453 . 1 1 76 76 MET HB2 H 1 2.100 0.020 . 1 . . . . 76 MET HB2 . 25253 1 454 . 1 1 76 76 MET HB3 H 1 2.100 0.020 . 1 . . . . 76 MET HB3 . 25253 1 455 . 1 1 76 76 MET HG2 H 1 2.788 0.020 . 1 . . . . 76 MET HG2 . 25253 1 456 . 1 1 76 76 MET HG3 H 1 2.788 0.020 . 1 . . . . 76 MET HG3 . 25253 1 457 . 1 1 76 76 MET N N 15 116.940 0.3 . 1 . . . . 76 MET N . 25253 1 458 . 1 1 77 77 LYS H H 1 7.370 0.020 . 1 . . . . 77 LYS H . 25253 1 459 . 1 1 77 77 LYS HA H 1 4.355 0.020 . 1 . . . . 77 LYS HA . 25253 1 460 . 1 1 77 77 LYS HB2 H 1 1.469 0.020 . 1 . . . . 77 LYS HB2 . 25253 1 461 . 1 1 77 77 LYS HB3 H 1 1.469 0.020 . 1 . . . . 77 LYS HB3 . 25253 1 462 . 1 1 77 77 LYS HG2 H 1 1.240 0.020 . 1 . . . . 77 LYS HG2 . 25253 1 463 . 1 1 77 77 LYS HG3 H 1 1.240 0.020 . 1 . . . . 77 LYS HG3 . 25253 1 464 . 1 1 77 77 LYS N N 15 116.565 0.3 . 1 . . . . 77 LYS N . 25253 1 465 . 1 1 78 78 ASP H H 1 8.258 0.020 . 1 . . . . 78 ASP H . 25253 1 466 . 1 1 78 78 ASP HA H 1 4.605 0.020 . 1 . . . . 78 ASP HA . 25253 1 467 . 1 1 78 78 ASP HB2 H 1 2.331 0.020 . 1 . . . . 78 ASP HB2 . 25253 1 468 . 1 1 78 78 ASP HB3 H 1 2.331 0.020 . 1 . . . . 78 ASP HB3 . 25253 1 469 . 1 1 78 78 ASP N N 15 123.077 0.3 . 1 . . . . 78 ASP N . 25253 1 470 . 1 1 79 79 THR H H 1 8.448 0.020 . 1 . . . . 79 THR H . 25253 1 471 . 1 1 79 79 THR HA H 1 4.174 0.020 . 1 . . . . 79 THR HA . 25253 1 472 . 1 1 79 79 THR HB H 1 4.663 0.020 . 1 . . . . 79 THR HB . 25253 1 473 . 1 1 79 79 THR HG21 H 1 1.274 0.020 . 1 . . . . 79 THR HG2 . 25253 1 474 . 1 1 79 79 THR HG22 H 1 1.274 0.020 . 1 . . . . 79 THR HG2 . 25253 1 475 . 1 1 79 79 THR HG23 H 1 1.274 0.020 . 1 . . . . 79 THR HG2 . 25253 1 476 . 1 1 79 79 THR N N 15 114.285 0.3 . 1 . . . . 79 THR N . 25253 1 477 . 1 1 80 80 ASP H H 1 8.341 0.020 . 1 . . . . 80 ASP H . 25253 1 478 . 1 1 80 80 ASP HA H 1 4.762 0.020 . 1 . . . . 80 ASP HA . 25253 1 479 . 1 1 80 80 ASP HB2 H 1 2.731 0.020 . 1 . . . . 80 ASP HB2 . 25253 1 480 . 1 1 80 80 ASP HB3 H 1 2.731 0.020 . 1 . . . . 80 ASP HB3 . 25253 1 481 . 1 1 80 80 ASP N N 15 120.760 0.3 . 1 . . . . 80 ASP N . 25253 1 482 . 1 1 81 81 SER H H 1 7.899 0.020 . 1 . . . . 81 SER H . 25253 1 483 . 1 1 81 81 SER HA H 1 4.321 0.020 . 1 . . . . 81 SER HA . 25253 1 484 . 1 1 81 81 SER HB2 H 1 4.024 0.020 . 1 . . . . 81 SER HB2 . 25253 1 485 . 1 1 81 81 SER HB3 H 1 4.024 0.020 . 1 . . . . 81 SER HB3 . 25253 1 486 . 1 1 81 81 SER N N 15 115.676 0.3 . 1 . . . . 81 SER N . 25253 1 487 . 1 1 82 82 GLU H H 1 8.306 0.020 . 1 . . . . 82 GLU H . 25253 1 488 . 1 1 82 82 GLU HA H 1 4.047 0.020 . 1 . . . . 82 GLU HA . 25253 1 489 . 1 1 82 82 GLU HB2 H 1 2.052 0.020 . 1 . . . . 82 GLU HB2 . 25253 1 490 . 1 1 82 82 GLU HB3 H 1 2.052 0.020 . 1 . . . . 82 GLU HB3 . 25253 1 491 . 1 1 82 82 GLU HG2 H 1 2.272 0.020 . 1 . . . . 82 GLU HG2 . 25253 1 492 . 1 1 82 82 GLU HG3 H 1 2.272 0.020 . 1 . . . . 82 GLU HG3 . 25253 1 493 . 1 1 82 82 GLU N N 15 122.016 0.3 . 1 . . . . 82 GLU N . 25253 1 494 . 1 1 83 83 GLU H H 1 8.020 0.020 . 1 . . . . 83 GLU H . 25253 1 495 . 1 1 83 83 GLU HA H 1 3.919 0.020 . 1 . . . . 83 GLU HA . 25253 1 496 . 1 1 83 83 GLU N N 15 118.018 0.3 . 1 . . . . 83 GLU N . 25253 1 497 . 1 1 84 84 GLU H H 1 8.222 0.020 . 1 . . . . 84 GLU H . 25253 1 498 . 1 1 84 84 GLU HA H 1 4.161 0.020 . 1 . . . . 84 GLU HA . 25253 1 499 . 1 1 84 84 GLU HB2 H 1 1.396 0.020 . 1 . . . . 84 GLU HB2 . 25253 1 500 . 1 1 84 84 GLU HB3 H 1 1.396 0.020 . 1 . . . . 84 GLU HB3 . 25253 1 501 . 1 1 84 84 GLU HG2 H 1 1.865 0.020 . 1 . . . . 84 GLU HG2 . 25253 1 502 . 1 1 84 84 GLU HG3 H 1 1.865 0.020 . 1 . . . . 84 GLU HG3 . 25253 1 503 . 1 1 84 84 GLU N N 15 118.594 0.3 . 1 . . . . 84 GLU N . 25253 1 504 . 1 1 85 85 ILE H H 1 7.858 0.020 . 1 . . . . 85 ILE H . 25253 1 505 . 1 1 85 85 ILE HA H 1 3.849 0.020 . 1 . . . . 85 ILE HA . 25253 1 506 . 1 1 85 85 ILE HB H 1 1.853 0.020 . 1 . . . . 85 ILE HB . 25253 1 507 . 1 1 85 85 ILE HG12 H 1 1.661 0.020 . 1 . . . . 85 ILE HG12 . 25253 1 508 . 1 1 85 85 ILE HG13 H 1 1.661 0.020 . 1 . . . . 85 ILE HG13 . 25253 1 509 . 1 1 85 85 ILE HD11 H 1 0.723 0.020 . 1 . . . . 85 ILE HD1 . 25253 1 510 . 1 1 85 85 ILE HD12 H 1 0.723 0.020 . 1 . . . . 85 ILE HD1 . 25253 1 511 . 1 1 85 85 ILE HD13 H 1 0.723 0.020 . 1 . . . . 85 ILE HD1 . 25253 1 512 . 1 1 85 85 ILE N N 15 119.119 0.3 . 1 . . . . 85 ILE N . 25253 1 513 . 1 1 86 86 ARG H H 1 8.295 0.020 . 1 . . . . 86 ARG H . 25253 1 514 . 1 1 86 86 ARG HA H 1 4.053 0.020 . 1 . . . . 86 ARG HA . 25253 1 515 . 1 1 86 86 ARG HB2 H 1 1.781 0.020 . 1 . . . . 86 ARG HB2 . 25253 1 516 . 1 1 86 86 ARG HB3 H 1 1.781 0.020 . 1 . . . . 86 ARG HB3 . 25253 1 517 . 1 1 86 86 ARG HG2 H 1 1.396 0.020 . 1 . . . . 86 ARG HG2 . 25253 1 518 . 1 1 86 86 ARG HG3 H 1 1.396 0.020 . 1 . . . . 86 ARG HG3 . 25253 1 519 . 1 1 86 86 ARG N N 15 120.605 0.3 . 1 . . . . 86 ARG N . 25253 1 520 . 1 1 87 87 GLU H H 1 7.899 0.020 . 1 . . . . 87 GLU H . 25253 1 521 . 1 1 87 87 GLU HA H 1 3.909 0.020 . 1 . . . . 87 GLU HA . 25253 1 522 . 1 1 87 87 GLU HB2 H 1 2.125 0.020 . 1 . . . . 87 GLU HB2 . 25253 1 523 . 1 1 87 87 GLU HB3 H 1 2.125 0.020 . 1 . . . . 87 GLU HB3 . 25253 1 524 . 1 1 87 87 GLU HG2 H 1 2.301 0.020 . 1 . . . . 87 GLU HG2 . 25253 1 525 . 1 1 87 87 GLU HG3 H 1 2.301 0.020 . 1 . . . . 87 GLU HG3 . 25253 1 526 . 1 1 87 87 GLU N N 15 119.503 0.3 . 1 . . . . 87 GLU N . 25253 1 527 . 1 1 88 88 ALA H H 1 8.356 0.020 . 1 . . . . 88 ALA H . 25253 1 528 . 1 1 88 88 ALA HA H 1 4.165 0.020 . 1 . . . . 88 ALA HA . 25253 1 529 . 1 1 88 88 ALA HB1 H 1 1.729 0.020 . 1 . . . . 88 ALA HB . 25253 1 530 . 1 1 88 88 ALA HB2 H 1 1.729 0.020 . 1 . . . . 88 ALA HB . 25253 1 531 . 1 1 88 88 ALA HB3 H 1 1.729 0.020 . 1 . . . . 88 ALA HB . 25253 1 532 . 1 1 88 88 ALA N N 15 122.323 0.3 . 1 . . . . 88 ALA N . 25253 1 533 . 1 1 89 89 PHE H H 1 8.542 0.020 . 1 . . . . 89 PHE H . 25253 1 534 . 1 1 89 89 PHE HA H 1 3.270 0.020 . 1 . . . . 89 PHE HA . 25253 1 535 . 1 1 89 89 PHE HB2 H 1 2.668 0.020 . 2 . . . . 89 PHE HB2 . 25253 1 536 . 1 1 89 89 PHE HB3 H 1 2.301 0.020 . 1 . . . . 89 PHE HB3 . 25253 1 537 . 1 1 89 89 PHE N N 15 119.005 0.3 . 1 . . . . 89 PHE N . 25253 1 538 . 1 1 90 90 ARG H H 1 7.910 0.020 . 1 . . . . 90 ARG H . 25253 1 539 . 1 1 90 90 ARG HA H 1 3.740 0.020 . 1 . . . . 90 ARG HA . 25253 1 540 . 1 1 90 90 ARG HB2 H 1 1.889 0.020 . 1 . . . . 90 ARG HB2 . 25253 1 541 . 1 1 90 90 ARG HB3 H 1 1.889 0.020 . 1 . . . . 90 ARG HB3 . 25253 1 542 . 1 1 90 90 ARG HG2 H 1 1.685 0.020 . 1 . . . . 90 ARG HG2 . 25253 1 543 . 1 1 90 90 ARG HG3 H 1 1.685 0.020 . 1 . . . . 90 ARG HG3 . 25253 1 544 . 1 1 90 90 ARG N N 15 117.149 0.3 . 1 . . . . 90 ARG N . 25253 1 545 . 1 1 91 91 VAL H H 1 7.330 0.020 . 1 . . . . 91 VAL H . 25253 1 546 . 1 1 91 91 VAL HA H 1 3.356 0.020 . 1 . . . . 91 VAL HA . 25253 1 547 . 1 1 91 91 VAL HB H 1 2.154 0.020 . 1 . . . . 91 VAL HB . 25253 1 548 . 1 1 91 91 VAL HG11 H 1 0.868 0.020 . 1 . . . . 91 VAL HG1 . 25253 1 549 . 1 1 91 91 VAL HG12 H 1 0.868 0.020 . 1 . . . . 91 VAL HG1 . 25253 1 550 . 1 1 91 91 VAL HG13 H 1 0.868 0.020 . 1 . . . . 91 VAL HG1 . 25253 1 551 . 1 1 91 91 VAL HG21 H 1 0.423 0.020 . 1 . . . . 91 VAL HG2 . 25253 1 552 . 1 1 91 91 VAL HG22 H 1 0.423 0.020 . 1 . . . . 91 VAL HG2 . 25253 1 553 . 1 1 91 91 VAL HG23 H 1 0.423 0.020 . 1 . . . . 91 VAL HG2 . 25253 1 554 . 1 1 91 91 VAL N N 15 118.456 0.3 . 1 . . . . 91 VAL N . 25253 1 555 . 1 1 92 92 PHE H H 1 6.748 0.020 . 1 . . . . 92 PHE H . 25253 1 556 . 1 1 92 92 PHE HA H 1 3.957 0.020 . 1 . . . . 92 PHE HA . 25253 1 557 . 1 1 92 92 PHE HB2 H 1 2.634 0.020 . 1 . . . . 92 PHE HB2 . 25253 1 558 . 1 1 92 92 PHE HB3 H 1 2.634 0.020 . 1 . . . . 92 PHE HB3 . 25253 1 559 . 1 1 92 92 PHE N N 15 112.806 0.3 . 1 . . . . 92 PHE N . 25253 1 560 . 1 1 93 93 ASP H H 1 7.945 0.020 . 1 . . . . 93 ASP H . 25253 1 561 . 1 1 93 93 ASP HA H 1 4.558 0.020 . 1 . . . . 93 ASP HA . 25253 1 562 . 1 1 93 93 ASP HB2 H 1 2.115 0.020 . 1 . . . . 93 ASP HB2 . 25253 1 563 . 1 1 93 93 ASP HB3 H 1 2.616 0.020 . 2 . . . . 93 ASP HB3 . 25253 1 564 . 1 1 93 93 ASP N N 15 116.493 0.3 . 1 . . . . 93 ASP N . 25253 1 565 . 1 1 94 94 LYS H H 1 7.769 0.020 . 1 . . . . 94 LYS H . 25253 1 566 . 1 1 94 94 LYS HA H 1 3.856 0.020 . 1 . . . . 94 LYS HA . 25253 1 567 . 1 1 94 94 LYS HB2 H 1 1.744 0.020 . 1 . . . . 94 LYS HB2 . 25253 1 568 . 1 1 94 94 LYS HB3 H 1 1.744 0.020 . 1 . . . . 94 LYS HB3 . 25253 1 569 . 1 1 94 94 LYS HG2 H 1 1.348 0.020 . 1 . . . . 94 LYS HG2 . 25253 1 570 . 1 1 94 94 LYS HG3 H 1 1.348 0.020 . 1 . . . . 94 LYS HG3 . 25253 1 571 . 1 1 94 94 LYS N N 15 124.188 0.3 . 1 . . . . 94 LYS N . 25253 1 572 . 1 1 95 95 ASP H H 1 8.133 0.020 . 1 . . . . 95 ASP H . 25253 1 573 . 1 1 95 95 ASP HA H 1 4.508 0.020 . 1 . . . . 95 ASP HA . 25253 1 574 . 1 1 95 95 ASP HB2 H 1 3.007 0.020 . 1 . . . . 95 ASP HB2 . 25253 1 575 . 1 1 95 95 ASP HB3 H 1 3.007 0.020 . 2 . . . . 95 ASP HB3 . 25253 1 576 . 1 1 95 95 ASP N N 15 113.847 0.3 . 1 . . . . 95 ASP N . 25253 1 577 . 1 1 96 96 GLY H H 1 7.645 0.020 . 1 . . . . 96 GLY H . 25253 1 578 . 1 1 96 96 GLY HA2 H 1 4.252 0.020 . 1 . . . . 96 GLY HA2 . 25253 1 579 . 1 1 96 96 GLY HA3 H 1 4.252 0.020 . 1 . . . . 96 GLY HA3 . 25253 1 580 . 1 1 96 96 GLY N N 15 108.775 0.3 . 1 . . . . 96 GLY N . 25253 1 581 . 1 1 97 97 ASN H H 1 8.278 0.020 . 1 . . . . 97 ASN H . 25253 1 582 . 1 1 97 97 ASN HA H 1 4.664 0.020 . 1 . . . . 97 ASN HA . 25253 1 583 . 1 1 97 97 ASN N N 15 119.457 0.3 . 1 . . . . 97 ASN N . 25253 1 584 . 1 1 98 98 GLY H H 1 10.587 0.020 . 1 . . . . 98 GLY H . 25253 1 585 . 1 1 98 98 GLY HA2 H 1 3.636 0.020 . 1 . . . . 98 GLY HA2 . 25253 1 586 . 1 1 98 98 GLY HA3 H 1 4.259 0.020 . 2 . . . . 98 GLY HA3 . 25253 1 587 . 1 1 98 98 GLY N N 15 112.949 0.3 . 1 . . . . 98 GLY N . 25253 1 588 . 1 1 99 99 GLU H H 1 7.447 0.020 . 1 . . . . 99 GLU H . 25253 1 589 . 1 1 99 99 GLU HA H 1 4.942 0.020 . 1 . . . . 99 GLU HA . 25253 1 590 . 1 1 99 99 GLU HB2 H 1 1.586 0.020 . 1 . . . . 99 GLU HB2 . 25253 1 591 . 1 1 99 99 GLU HG3 H 1 2.118 0.020 . 1 . . . . 99 GLU HG3 . 25253 1 592 . 1 1 99 99 GLU N N 15 116.565 0.3 . 1 . . . . 99 GLU N . 25253 1 593 . 1 1 100 100 ILE H H 1 9.856 0.020 . 1 . . . . 100 ILE H . 25253 1 594 . 1 1 100 100 ILE HA H 1 4.558 0.020 . 1 . . . . 100 ILE HA . 25253 1 595 . 1 1 100 100 ILE HB H 1 1.773 0.020 . 1 . . . . 100 ILE HB . 25253 1 596 . 1 1 100 100 ILE HG21 H 1 0.790 0.020 . 1 . . . . 100 ILE HG2 . 25253 1 597 . 1 1 100 100 ILE HG22 H 1 0.790 0.020 . 1 . . . . 100 ILE HG2 . 25253 1 598 . 1 1 100 100 ILE HG23 H 1 0.790 0.020 . 1 . . . . 100 ILE HG2 . 25253 1 599 . 1 1 100 100 ILE N N 15 127.273 0.3 . 1 . . . . 100 ILE N . 25253 1 600 . 1 1 101 101 SER H H 1 8.944 0.020 . 1 . . . . 101 SER H . 25253 1 601 . 1 1 101 101 SER HA H 1 4.813 0.020 . 1 . . . . 101 SER HA . 25253 1 602 . 1 1 101 101 SER HB2 H 1 3.915 0.020 . 1 . . . . 101 SER HB2 . 25253 1 603 . 1 1 101 101 SER HB3 H 1 3.915 0.020 . 1 . . . . 101 SER HB3 . 25253 1 604 . 1 1 101 101 SER N N 15 123.267 0.3 . 1 . . . . 101 SER N . 25253 1 605 . 1 1 102 102 ALA H H 1 9.278 0.020 . 1 . . . . 102 ALA H . 25253 1 606 . 1 1 102 102 ALA HA H 1 3.897 0.020 . 1 . . . . 102 ALA HA . 25253 1 607 . 1 1 102 102 ALA HB1 H 1 1.436 0.020 . 1 . . . . 102 ALA HB . 25253 1 608 . 1 1 102 102 ALA HB2 H 1 1.436 0.020 . 1 . . . . 102 ALA HB . 25253 1 609 . 1 1 102 102 ALA HB3 H 1 1.436 0.020 . 1 . . . . 102 ALA HB . 25253 1 610 . 1 1 102 102 ALA N N 15 122.805 0.3 . 1 . . . . 102 ALA N . 25253 1 611 . 1 1 103 103 ALA H H 1 8.093 0.020 . 1 . . . . 103 ALA H . 25253 1 612 . 1 1 103 103 ALA HA H 1 3.885 0.020 . 1 . . . . 103 ALA HA . 25253 1 613 . 1 1 103 103 ALA HB1 H 1 1.180 0.020 . 1 . . . . 103 ALA HB . 25253 1 614 . 1 1 103 103 ALA HB2 H 1 1.180 0.020 . 1 . . . . 103 ALA HB . 25253 1 615 . 1 1 103 103 ALA HB3 H 1 1.180 0.020 . 1 . . . . 103 ALA HB . 25253 1 616 . 1 1 103 103 ALA N N 15 117.991 0.3 . 1 . . . . 103 ALA N . 25253 1 617 . 1 1 104 104 GLU H H 1 7.901 0.020 . 1 . . . . 104 GLU H . 25253 1 618 . 1 1 104 104 GLU HA H 1 3.940 0.020 . 1 . . . . 104 GLU HA . 25253 1 619 . 1 1 104 104 GLU HB2 H 1 1.781 0.020 . 1 . . . . 104 GLU HB2 . 25253 1 620 . 1 1 104 104 GLU HB3 H 1 1.781 0.020 . 1 . . . . 104 GLU HB3 . 25253 1 621 . 1 1 104 104 GLU HG2 H 1 2.118 0.020 . 1 . . . . 104 GLU HG2 . 25253 1 622 . 1 1 104 104 GLU HG3 H 1 2.118 0.020 . 1 . . . . 104 GLU HG3 . 25253 1 623 . 1 1 104 104 GLU N N 15 119.736 0.3 . 1 . . . . 104 GLU N . 25253 1 624 . 1 1 105 105 LEU H H 1 8.377 0.020 . 1 . . . . 105 LEU H . 25253 1 625 . 1 1 105 105 LEU HA H 1 4.173 0.020 . 1 . . . . 105 LEU HA . 25253 1 626 . 1 1 105 105 LEU HB2 H 1 1.925 0.020 . 1 . . . . 105 LEU HB2 . 25253 1 627 . 1 1 105 105 LEU HB3 H 1 1.925 0.020 . 1 . . . . 105 LEU HB3 . 25253 1 628 . 1 1 105 105 LEU HG H 1 1.408 0.020 . 1 . . . . 105 LEU HG . 25253 1 629 . 1 1 105 105 LEU HD11 H 1 0.952 0.020 . 1 . . . . 105 LEU HD1 . 25253 1 630 . 1 1 105 105 LEU HD12 H 1 0.952 0.020 . 1 . . . . 105 LEU HD1 . 25253 1 631 . 1 1 105 105 LEU HD13 H 1 0.952 0.020 . 1 . . . . 105 LEU HD1 . 25253 1 632 . 1 1 105 105 LEU N N 15 120.746 0.3 . 1 . . . . 105 LEU N . 25253 1 633 . 1 1 106 106 ARG H H 1 8.914 0.020 . 1 . . . . 106 ARG H . 25253 1 634 . 1 1 106 106 ARG HA H 1 3.724 0.020 . 1 . . . . 106 ARG HA . 25253 1 635 . 1 1 106 106 ARG HB2 H 1 1.935 0.020 . 1 . . . . 106 ARG HB2 . 25253 1 636 . 1 1 106 106 ARG HB3 H 1 1.935 0.020 . 1 . . . . 106 ARG HB3 . 25253 1 637 . 1 1 106 106 ARG HG2 H 1 1.450 0.020 . 1 . . . . 106 ARG HG2 . 25253 1 638 . 1 1 106 106 ARG N N 15 118.469 0.3 . 1 . . . . 106 ARG N . 25253 1 639 . 1 1 107 107 HIS H H 1 8.094 0.020 . 1 . . . . 107 HIS H . 25253 1 640 . 1 1 107 107 HIS HA H 1 4.305 0.020 . 1 . . . . 107 HIS HA . 25253 1 641 . 1 1 107 107 HIS HB2 H 1 3.404 0.020 . 1 . . . . 107 HIS HB2 . 25253 1 642 . 1 1 107 107 HIS HB3 H 1 3.404 0.020 . 1 . . . . 107 HIS HB3 . 25253 1 643 . 1 1 107 107 HIS N N 15 118.940 0.3 . 1 . . . . 107 HIS N . 25253 1 644 . 1 1 108 108 VAL H H 1 7.776 0.020 . 1 . . . . 108 VAL H . 25253 1 645 . 1 1 108 108 VAL HA H 1 3.380 0.020 . 1 . . . . 108 VAL HA . 25253 1 646 . 1 1 108 108 VAL HB H 1 1.481 0.020 . 1 . . . . 108 VAL HB . 25253 1 647 . 1 1 108 108 VAL HG11 H 1 0.615 0.020 . 1 . . . . 108 VAL HG1 . 25253 1 648 . 1 1 108 108 VAL HG12 H 1 0.615 0.020 . 1 . . . . 108 VAL HG1 . 25253 1 649 . 1 1 108 108 VAL HG13 H 1 0.615 0.020 . 1 . . . . 108 VAL HG1 . 25253 1 650 . 1 1 108 108 VAL HG21 H 1 0.615 0.020 . 1 . . . . 108 VAL HG2 . 25253 1 651 . 1 1 108 108 VAL HG22 H 1 0.615 0.020 . 1 . . . . 108 VAL HG2 . 25253 1 652 . 1 1 108 108 VAL HG23 H 1 0.615 0.020 . 1 . . . . 108 VAL HG2 . 25253 1 653 . 1 1 108 108 VAL N N 15 117.624 0.3 . 1 . . . . 108 VAL N . 25253 1 654 . 1 1 109 109 MET H H 1 8.078 0.020 . 1 . . . . 109 MET H . 25253 1 655 . 1 1 109 109 MET HA H 1 4.196 0.020 . 1 . . . . 109 MET HA . 25253 1 656 . 1 1 109 109 MET HB2 H 1 2.006 0.020 . 1 . . . . 109 MET HB2 . 25253 1 657 . 1 1 109 109 MET HB3 H 1 2.006 0.020 . 1 . . . . 109 MET HB3 . 25253 1 658 . 1 1 109 109 MET HG2 H 1 2.491 0.020 . 1 . . . . 109 MET HG2 . 25253 1 659 . 1 1 109 109 MET HG3 H 1 2.491 0.020 . 1 . . . . 109 MET HG3 . 25253 1 660 . 1 1 109 109 MET N N 15 115.355 0.3 . 1 . . . . 109 MET N . 25253 1 661 . 1 1 110 110 THR H H 1 8.646 0.020 . 1 . . . . 110 THR H . 25253 1 662 . 1 1 110 110 THR HA H 1 3.988 0.020 . 1 . . . . 110 THR HA . 25253 1 663 . 1 1 110 110 THR HB H 1 4.297 0.020 . 1 . . . . 110 THR HB . 25253 1 664 . 1 1 110 110 THR HG21 H 1 1.172 0.020 . 1 . . . . 110 THR HG2 . 25253 1 665 . 1 1 110 110 THR HG22 H 1 1.172 0.020 . 1 . . . . 110 THR HG2 . 25253 1 666 . 1 1 110 110 THR HG23 H 1 1.172 0.020 . 1 . . . . 110 THR HG2 . 25253 1 667 . 1 1 110 110 THR N N 15 116.934 0.3 . 1 . . . . 110 THR N . 25253 1 668 . 1 1 111 111 ASP H H 1 8.371 0.020 . 1 . . . . 111 ASP H . 25253 1 669 . 1 1 111 111 ASP HA H 1 4.399 0.020 . 1 . . . . 111 ASP HA . 25253 1 670 . 1 1 111 111 ASP HB2 H 1 2.918 0.020 . 1 . . . . 111 ASP HB2 . 25253 1 671 . 1 1 111 111 ASP HB3 H 1 2.918 0.020 . 1 . . . . 111 ASP HB3 . 25253 1 672 . 1 1 111 111 ASP N N 15 126.414 0.3 . 1 . . . . 111 ASP N . 25253 1 673 . 1 1 112 112 LEU H H 1 7.740 0.020 . 1 . . . . 112 LEU H . 25253 1 674 . 1 1 112 112 LEU HA H 1 4.173 0.020 . 1 . . . . 112 LEU HA . 25253 1 675 . 1 1 112 112 LEU HB2 H 1 1.877 0.020 . 1 . . . . 112 LEU HB2 . 25253 1 676 . 1 1 112 112 LEU HB3 H 1 1.877 0.020 . 1 . . . . 112 LEU HB3 . 25253 1 677 . 1 1 112 112 LEU HG H 1 1.637 0.020 . 1 . . . . 112 LEU HG . 25253 1 678 . 1 1 112 112 LEU HD11 H 1 0.699 0.020 . 1 . . . . 112 LEU HD1 . 25253 1 679 . 1 1 112 112 LEU HD12 H 1 0.699 0.020 . 1 . . . . 112 LEU HD1 . 25253 1 680 . 1 1 112 112 LEU HD13 H 1 0.699 0.020 . 1 . . . . 112 LEU HD1 . 25253 1 681 . 1 1 112 112 LEU HD21 H 1 0.699 0.020 . 1 . . . . 112 LEU HD2 . 25253 1 682 . 1 1 112 112 LEU HD22 H 1 0.699 0.020 . 1 . . . . 112 LEU HD2 . 25253 1 683 . 1 1 112 112 LEU HD23 H 1 0.699 0.020 . 1 . . . . 112 LEU HD2 . 25253 1 684 . 1 1 112 112 LEU N N 15 118.812 0.3 . 1 . . . . 112 LEU N . 25253 1 685 . 1 1 113 113 GLY H H 1 7.951 0.020 . 1 . . . . 113 GLY H . 25253 1 686 . 1 1 113 113 GLY HA2 H 1 4.217 0.020 . 1 . . . . 113 GLY HA2 . 25253 1 687 . 1 1 113 113 GLY HA3 H 1 4.217 0.020 . 2 . . . . 113 GLY HA3 . 25253 1 688 . 1 1 113 113 GLY N N 15 107.595 0.3 . 1 . . . . 113 GLY N . 25253 1 689 . 1 1 114 114 GLU H H 1 7.997 0.020 . 1 . . . . 114 GLU H . 25253 1 690 . 1 1 114 114 GLU HA H 1 3.776 0.020 . 1 . . . . 114 GLU HA . 25253 1 691 . 1 1 114 114 GLU HB2 H 1 1.913 0.020 . 1 . . . . 114 GLU HB2 . 25253 1 692 . 1 1 114 114 GLU HB3 H 1 1.913 0.020 . 1 . . . . 114 GLU HB3 . 25253 1 693 . 1 1 114 114 GLU HG2 H 1 2.070 0.020 . 1 . . . . 114 GLU HG2 . 25253 1 694 . 1 1 114 114 GLU HG3 H 1 2.070 0.020 . 1 . . . . 114 GLU HG3 . 25253 1 695 . 1 1 114 114 GLU N N 15 120.265 0.3 . 1 . . . . 114 GLU N . 25253 1 696 . 1 1 115 115 LYS H H 1 8.464 0.020 . 1 . . . . 115 LYS H . 25253 1 697 . 1 1 115 115 LYS HA H 1 4.366 0.020 . 1 . . . . 115 LYS HA . 25253 1 698 . 1 1 115 115 LYS HB2 H 1 1.641 0.020 . 1 . . . . 115 LYS HB2 . 25253 1 699 . 1 1 115 115 LYS HB3 H 1 1.641 0.020 . 1 . . . . 115 LYS HB3 . 25253 1 700 . 1 1 115 115 LYS HG2 H 1 1.260 0.020 . 1 . . . . 115 LYS HG2 . 25253 1 701 . 1 1 115 115 LYS HG3 H 1 1.260 0.020 . 1 . . . . 115 LYS HG3 . 25253 1 702 . 1 1 115 115 LYS N N 15 123.622 0.3 . 1 . . . . 115 LYS N . 25253 1 703 . 1 1 116 116 LEU H H 1 8.092 0.020 . 1 . . . . 116 LEU H . 25253 1 704 . 1 1 116 116 LEU HA H 1 4.751 0.020 . 1 . . . . 116 LEU HA . 25253 1 705 . 1 1 116 116 LEU HB2 H 1 1.480 0.020 . 1 . . . . 116 LEU HB2 . 25253 1 706 . 1 1 116 116 LEU HB3 H 1 1.480 0.020 . 1 . . . . 116 LEU HB3 . 25253 1 707 . 1 1 116 116 LEU HG H 1 1.553 0.020 . 1 . . . . 116 LEU HG . 25253 1 708 . 1 1 116 116 LEU HD11 H 1 0.776 0.020 . 1 . . . . 116 LEU HD1 . 25253 1 709 . 1 1 116 116 LEU HD12 H 1 0.776 0.020 . 1 . . . . 116 LEU HD1 . 25253 1 710 . 1 1 116 116 LEU HD13 H 1 0.776 0.020 . 1 . . . . 116 LEU HD1 . 25253 1 711 . 1 1 116 116 LEU HD21 H 1 0.776 0.020 . 1 . . . . 116 LEU HD2 . 25253 1 712 . 1 1 116 116 LEU HD22 H 1 0.776 0.020 . 1 . . . . 116 LEU HD2 . 25253 1 713 . 1 1 116 116 LEU HD23 H 1 0.776 0.020 . 1 . . . . 116 LEU HD2 . 25253 1 714 . 1 1 116 116 LEU N N 15 124.962 0.3 . 1 . . . . 116 LEU N . 25253 1 715 . 1 1 117 117 THR H H 1 8.965 0.020 . 1 . . . . 117 THR H . 25253 1 716 . 1 1 117 117 THR HA H 1 4.435 0.020 . 1 . . . . 117 THR HA . 25253 1 717 . 1 1 117 117 THR HB H 1 4.726 0.020 . 1 . . . . 117 THR HB . 25253 1 718 . 1 1 117 117 THR HG21 H 1 1.250 0.020 . 1 . . . . 117 THR HG2 . 25253 1 719 . 1 1 117 117 THR HG22 H 1 1.250 0.020 . 1 . . . . 117 THR HG2 . 25253 1 720 . 1 1 117 117 THR HG23 H 1 1.250 0.020 . 1 . . . . 117 THR HG2 . 25253 1 721 . 1 1 117 117 THR N N 15 113.140 0.3 . 1 . . . . 117 THR N . 25253 1 722 . 1 1 118 118 ASP H H 1 8.830 0.020 . 1 . . . . 118 ASP H . 25253 1 723 . 1 1 118 118 ASP HA H 1 4.179 0.020 . 1 . . . . 118 ASP HA . 25253 1 724 . 1 1 118 118 ASP HB2 H 1 2.595 0.020 . 1 . . . . 118 ASP HB2 . 25253 1 725 . 1 1 118 118 ASP HB3 H 1 2.595 0.020 . 1 . . . . 118 ASP HB3 . 25253 1 726 . 1 1 118 118 ASP N N 15 120.745 0.3 . 1 . . . . 118 ASP N . 25253 1 727 . 1 1 119 119 GLU H H 1 8.604 0.020 . 1 . . . . 119 GLU H . 25253 1 728 . 1 1 119 119 GLU HA H 1 4.068 0.020 . 1 . . . . 119 GLU HA . 25253 1 729 . 1 1 119 119 GLU HB2 H 1 1.964 0.020 . 1 . . . . 119 GLU HB2 . 25253 1 730 . 1 1 119 119 GLU HB3 H 1 1.964 0.020 . 1 . . . . 119 GLU HB3 . 25253 1 731 . 1 1 119 119 GLU HG2 H 1 2.316 0.020 . 1 . . . . 119 GLU HG2 . 25253 1 732 . 1 1 119 119 GLU HG3 H 1 2.316 0.020 . 1 . . . . 119 GLU HG3 . 25253 1 733 . 1 1 119 119 GLU N N 15 118.999 0.3 . 1 . . . . 119 GLU N . 25253 1 734 . 1 1 121 121 VAL H H 1 7.961 0.020 . 1 . . . . 121 VAL H . 25253 1 735 . 1 1 121 121 VAL HA H 1 3.620 0.020 . 1 . . . . 121 VAL HA . 25253 1 736 . 1 1 121 121 VAL HB H 1 2.178 0.020 . 1 . . . . 121 VAL HB . 25253 1 737 . 1 1 121 121 VAL HG11 H 1 0.964 0.020 . 1 . . . . 121 VAL HG1 . 25253 1 738 . 1 1 121 121 VAL HG12 H 1 0.964 0.020 . 1 . . . . 121 VAL HG1 . 25253 1 739 . 1 1 121 121 VAL HG13 H 1 0.964 0.020 . 1 . . . . 121 VAL HG1 . 25253 1 740 . 1 1 121 121 VAL HG21 H 1 0.964 0.020 . 1 . . . . 121 VAL HG2 . 25253 1 741 . 1 1 121 121 VAL HG22 H 1 0.964 0.020 . 1 . . . . 121 VAL HG2 . 25253 1 742 . 1 1 121 121 VAL HG23 H 1 0.964 0.020 . 1 . . . . 121 VAL HG2 . 25253 1 743 . 1 1 121 121 VAL N N 15 120.225 0.3 . 1 . . . . 121 VAL N . 25253 1 744 . 1 1 122 122 ASP H H 1 7.985 0.020 . 1 . . . . 122 ASP H . 25253 1 745 . 1 1 122 122 ASP HA H 1 4.341 0.020 . 1 . . . . 122 ASP HA . 25253 1 746 . 1 1 122 122 ASP HB2 H 1 2.695 0.020 . 1 . . . . 122 ASP HB2 . 25253 1 747 . 1 1 122 122 ASP HB3 H 1 2.695 0.020 . 1 . . . . 122 ASP HB3 . 25253 1 748 . 1 1 122 122 ASP N N 15 119.975 0.3 . 1 . . . . 122 ASP N . 25253 1 749 . 1 1 123 123 GLU H H 1 8.049 0.020 . 1 . . . . 123 GLU H . 25253 1 750 . 1 1 123 123 GLU HA H 1 3.945 0.020 . 1 . . . . 123 GLU HA . 25253 1 751 . 1 1 123 123 GLU HB2 H 1 2.021 0.020 . 1 . . . . 123 GLU HB2 . 25253 1 752 . 1 1 123 123 GLU HB3 H 1 2.021 0.020 . 1 . . . . 123 GLU HB3 . 25253 1 753 . 1 1 123 123 GLU HG2 H 1 2.274 0.020 . 1 . . . . 123 GLU HG2 . 25253 1 754 . 1 1 123 123 GLU HG3 H 1 2.274 0.020 . 1 . . . . 123 GLU HG3 . 25253 1 755 . 1 1 123 123 GLU N N 15 119.554 0.3 . 1 . . . . 123 GLU N . 25253 1 756 . 1 1 124 124 MET H H 1 7.725 0.020 . 1 . . . . 124 MET H . 25253 1 757 . 1 1 124 124 MET HA H 1 3.849 0.020 . 1 . . . . 124 MET HA . 25253 1 758 . 1 1 124 124 MET HB2 H 1 1.901 0.020 . 1 . . . . 124 MET HB2 . 25253 1 759 . 1 1 124 124 MET HB3 H 1 1.901 0.020 . 1 . . . . 124 MET HB3 . 25253 1 760 . 1 1 124 124 MET HG2 H 1 2.430 0.020 . 1 . . . . 124 MET HG2 . 25253 1 761 . 1 1 124 124 MET HG3 H 1 2.430 0.020 . 1 . . . . 124 MET HG3 . 25253 1 762 . 1 1 124 124 MET N N 15 119.025 0.3 . 1 . . . . 124 MET N . 25253 1 763 . 1 1 125 125 ILE H H 1 7.776 0.020 . 1 . . . . 125 ILE H . 25253 1 764 . 1 1 125 125 ILE HA H 1 3.407 0.020 . 1 . . . . 125 ILE HA . 25253 1 765 . 1 1 125 125 ILE HB H 1 2.058 0.020 . 1 . . . . 125 ILE HB . 25253 1 766 . 1 1 125 125 ILE HG12 H 1 0.639 0.020 . 1 . . . . 125 ILE HG12 . 25253 1 767 . 1 1 125 125 ILE HG13 H 1 0.639 0.020 . 1 . . . . 125 ILE HG13 . 25253 1 768 . 1 1 125 125 ILE HG21 H 1 1.180 0.020 . 1 . . . . 125 ILE HG2 . 25253 1 769 . 1 1 125 125 ILE HG22 H 1 1.180 0.020 . 1 . . . . 125 ILE HG2 . 25253 1 770 . 1 1 125 125 ILE HG23 H 1 1.180 0.020 . 1 . . . . 125 ILE HG2 . 25253 1 771 . 1 1 125 125 ILE HD11 H 1 0.603 0.020 . 1 . . . . 125 ILE HD1 . 25253 1 772 . 1 1 125 125 ILE HD12 H 1 0.603 0.020 . 1 . . . . 125 ILE HD1 . 25253 1 773 . 1 1 125 125 ILE HD13 H 1 0.603 0.020 . 1 . . . . 125 ILE HD1 . 25253 1 774 . 1 1 125 125 ILE N N 15 117.431 0.3 . 1 . . . . 125 ILE N . 25253 1 775 . 1 1 126 126 ARG H H 1 8.049 0.020 . 1 . . . . 126 ARG H . 25253 1 776 . 1 1 126 126 ARG HA H 1 3.704 0.020 . 1 . . . . 126 ARG HA . 25253 1 777 . 1 1 126 126 ARG HB2 H 1 2.045 0.020 . 1 . . . . 126 ARG HB2 . 25253 1 778 . 1 1 126 126 ARG HB3 H 1 2.045 0.020 . 1 . . . . 126 ARG HB3 . 25253 1 779 . 1 1 126 126 ARG N N 15 118.591 0.3 . 1 . . . . 126 ARG N . 25253 1 780 . 1 1 127 127 GLU H H 1 7.412 0.020 . 1 . . . . 127 GLU H . 25253 1 781 . 1 1 127 127 GLU HA H 1 3.915 0.020 . 1 . . . . 127 GLU HA . 25253 1 782 . 1 1 127 127 GLU HB2 H 1 1.865 0.020 . 1 . . . . 127 GLU HB2 . 25253 1 783 . 1 1 127 127 GLU HB3 H 1 1.865 0.020 . 1 . . . . 127 GLU HB3 . 25253 1 784 . 1 1 127 127 GLU HG2 H 1 2.142 0.020 . 1 . . . . 127 GLU HG2 . 25253 1 785 . 1 1 127 127 GLU HG3 H 1 2.142 0.020 . 1 . . . . 127 GLU HG3 . 25253 1 786 . 1 1 127 127 GLU N N 15 116.166 0.3 . 1 . . . . 127 GLU N . 25253 1 787 . 1 1 128 128 ALA H H 1 7.168 0.020 . 1 . . . . 128 ALA H . 25253 1 788 . 1 1 128 128 ALA HA H 1 4.558 0.020 . 1 . . . . 128 ALA HA . 25253 1 789 . 1 1 128 128 ALA HB1 H 1 1.336 0.020 . 1 . . . . 128 ALA HB . 25253 1 790 . 1 1 128 128 ALA HB2 H 1 1.336 0.020 . 1 . . . . 128 ALA HB . 25253 1 791 . 1 1 128 128 ALA HB3 H 1 1.336 0.020 . 1 . . . . 128 ALA HB . 25253 1 792 . 1 1 128 128 ALA N N 15 116.836 0.3 . 1 . . . . 128 ALA N . 25253 1 793 . 1 1 129 129 ASP H H 1 7.661 0.020 . 1 . . . . 129 ASP H . 25253 1 794 . 1 1 129 129 ASP HA H 1 4.387 0.020 . 1 . . . . 129 ASP HA . 25253 1 795 . 1 1 129 129 ASP HB2 H 1 2.310 0.020 . 1 . . . . 129 ASP HB2 . 25253 1 796 . 1 1 129 129 ASP HB3 H 1 2.647 0.020 . 2 . . . . 129 ASP HB3 . 25253 1 797 . 1 1 129 129 ASP N N 15 117.725 0.3 . 1 . . . . 129 ASP N . 25253 1 798 . 1 1 130 130 ILE H H 1 8.314 0.020 . 1 . . . . 130 ILE H . 25253 1 799 . 1 1 130 130 ILE HA H 1 3.871 0.020 . 1 . . . . 130 ILE HA . 25253 1 800 . 1 1 130 130 ILE HB H 1 1.935 0.020 . 1 . . . . 130 ILE HB . 25253 1 801 . 1 1 130 130 ILE HG12 H 1 0.820 0.020 . 1 . . . . 130 ILE HG12 . 25253 1 802 . 1 1 130 130 ILE HG13 H 1 0.820 0.020 . 1 . . . . 130 ILE HG13 . 25253 1 803 . 1 1 130 130 ILE HG21 H 1 1.612 0.020 . 1 . . . . 130 ILE HG2 . 25253 1 804 . 1 1 130 130 ILE HG22 H 1 1.612 0.020 . 1 . . . . 130 ILE HG2 . 25253 1 805 . 1 1 130 130 ILE HG23 H 1 1.612 0.020 . 1 . . . . 130 ILE HG2 . 25253 1 806 . 1 1 130 130 ILE N N 15 128.275 0.3 . 1 . . . . 130 ILE N . 25253 1 807 . 1 1 131 131 ASP H H 1 8.331 0.020 . 1 . . . . 131 ASP H . 25253 1 808 . 1 1 131 131 ASP HA H 1 4.458 0.020 . 1 . . . . 131 ASP HA . 25253 1 809 . 1 1 131 131 ASP HB2 H 1 2.595 0.020 . 1 . . . . 131 ASP HB2 . 25253 1 810 . 1 1 131 131 ASP HB3 H 1 2.595 0.020 . 1 . . . . 131 ASP HB3 . 25253 1 811 . 1 1 131 131 ASP N N 15 116.646 0.3 . 1 . . . . 131 ASP N . 25253 1 812 . 1 1 132 132 GLY H H 1 7.587 0.020 . 1 . . . . 132 GLY H . 25253 1 813 . 1 1 132 132 GLY HA2 H 1 3.842 0.020 . 1 . . . . 132 GLY HA2 . 25253 1 814 . 1 1 132 132 GLY HA3 H 1 3.842 0.020 . 1 . . . . 132 GLY HA3 . 25253 1 815 . 1 1 132 132 GLY N N 15 108.275 0.3 . 1 . . . . 132 GLY N . 25253 1 816 . 1 1 133 133 ASP H H 1 8.331 0.020 . 1 . . . . 133 ASP H . 25253 1 817 . 1 1 133 133 ASP HA H 1 4.426 0.020 . 1 . . . . 133 ASP HA . 25253 1 818 . 1 1 133 133 ASP HB2 H 1 2.454 0.020 . 1 . . . . 133 ASP HB2 . 25253 1 819 . 1 1 133 133 ASP HB3 H 1 2.454 0.020 . 1 . . . . 133 ASP HB3 . 25253 1 820 . 1 1 133 133 ASP N N 15 120.427 0.3 . 1 . . . . 133 ASP N . 25253 1 821 . 1 1 134 134 GLY H H 1 10.150 0.020 . 1 . . . . 134 GLY H . 25253 1 822 . 1 1 134 134 GLY HA2 H 1 3.343 0.020 . 1 . . . . 134 GLY HA2 . 25253 1 823 . 1 1 134 134 GLY HA3 H 1 4.005 0.020 . 2 . . . . 134 GLY HA3 . 25253 1 824 . 1 1 134 134 GLY N N 15 112.494 0.3 . 1 . . . . 134 GLY N . 25253 1 825 . 1 1 135 135 GLN H H 1 7.822 0.020 . 1 . . . . 135 GLN H . 25253 1 826 . 1 1 135 135 GLN HA H 1 4.918 0.020 . 1 . . . . 135 GLN HA . 25253 1 827 . 1 1 135 135 GLN HB2 H 1 1.773 0.020 . 1 . . . . 135 GLN HB2 . 25253 1 828 . 1 1 135 135 GLN HB3 H 1 1.773 0.020 . 1 . . . . 135 GLN HB3 . 25253 1 829 . 1 1 135 135 GLN HG2 H 1 1.891 0.020 . 1 . . . . 135 GLN HG2 . 25253 1 830 . 1 1 135 135 GLN HG3 H 1 1.891 0.020 . 1 . . . . 135 GLN HG3 . 25253 1 831 . 1 1 135 135 GLN N N 15 116.033 0.3 . 1 . . . . 135 GLN N . 25253 1 832 . 1 1 136 136 VAL H H 1 8.888 0.020 . 1 . . . . 136 VAL H . 25253 1 833 . 1 1 136 136 VAL HA H 1 5.015 0.020 . 1 . . . . 136 VAL HA . 25253 1 834 . 1 1 136 136 VAL HB H 1 2.096 0.020 . 1 . . . . 136 VAL HB . 25253 1 835 . 1 1 136 136 VAL HG11 H 1 1.113 0.020 . 1 . . . . 136 VAL HG1 . 25253 1 836 . 1 1 136 136 VAL HG12 H 1 1.113 0.020 . 1 . . . . 136 VAL HG1 . 25253 1 837 . 1 1 136 136 VAL HG13 H 1 1.113 0.020 . 1 . . . . 136 VAL HG1 . 25253 1 838 . 1 1 136 136 VAL HG21 H 1 0.776 0.020 . 1 . . . . 136 VAL HG2 . 25253 1 839 . 1 1 136 136 VAL HG22 H 1 0.776 0.020 . 1 . . . . 136 VAL HG2 . 25253 1 840 . 1 1 136 136 VAL HG23 H 1 0.776 0.020 . 1 . . . . 136 VAL HG2 . 25253 1 841 . 1 1 136 136 VAL N N 15 124.308 0.3 . 1 . . . . 136 VAL N . 25253 1 842 . 1 1 137 137 ASN H H 1 9.381 0.020 . 1 . . . . 137 ASN H . 25253 1 843 . 1 1 137 137 ASN HA H 1 5.324 0.020 . 1 . . . . 137 ASN HA . 25253 1 844 . 1 1 137 137 ASN HB2 H 1 3.284 0.020 . 1 . . . . 137 ASN HB2 . 25253 1 845 . 1 1 137 137 ASN HB3 H 1 3.284 0.020 . 1 . . . . 137 ASN HB3 . 25253 1 846 . 1 1 137 137 ASN N N 15 127.502 0.3 . 1 . . . . 137 ASN N . 25253 1 847 . 1 1 138 138 TYR H H 1 8.082 0.020 . 1 . . . . 138 TYR H . 25253 1 848 . 1 1 138 138 TYR HA H 1 4.414 0.020 . 1 . . . . 138 TYR HA . 25253 1 849 . 1 1 138 138 TYR N N 15 120.057 0.3 . 1 . . . . 138 TYR N . 25253 1 850 . 1 1 139 139 GLU H H 1 8.029 0.020 . 1 . . . . 139 GLU H . 25253 1 851 . 1 1 139 139 GLU HA H 1 3.812 0.020 . 1 . . . . 139 GLU HA . 25253 1 852 . 1 1 139 139 GLU HB2 H 1 2.081 0.020 . 1 . . . . 139 GLU HB2 . 25253 1 853 . 1 1 139 139 GLU HB3 H 1 2.081 0.020 . 1 . . . . 139 GLU HB3 . 25253 1 854 . 1 1 139 139 GLU HG2 H 1 2.331 0.020 . 1 . . . . 139 GLU HG2 . 25253 1 855 . 1 1 139 139 GLU HG3 H 1 2.331 0.020 . 1 . . . . 139 GLU HG3 . 25253 1 856 . 1 1 139 139 GLU N N 15 118.147 0.3 . 1 . . . . 139 GLU N . 25253 1 857 . 1 1 140 140 GLU H H 1 8.739 0.020 . 1 . . . . 140 GLU H . 25253 1 858 . 1 1 140 140 GLU HA H 1 3.855 0.020 . 1 . . . . 140 GLU HA . 25253 1 859 . 1 1 140 140 GLU HB2 H 1 2.081 0.020 . 1 . . . . 140 GLU HB2 . 25253 1 860 . 1 1 140 140 GLU HB3 H 1 2.081 0.020 . 1 . . . . 140 GLU HB3 . 25253 1 861 . 1 1 140 140 GLU HG2 H 1 2.345 0.020 . 1 . . . . 140 GLU HG2 . 25253 1 862 . 1 1 140 140 GLU HG3 H 1 2.345 0.020 . 1 . . . . 140 GLU HG3 . 25253 1 863 . 1 1 140 140 GLU N N 15 120.005 0.3 . 1 . . . . 140 GLU N . 25253 1 864 . 1 1 141 141 PHE H H 1 8.582 0.020 . 1 . . . . 141 PHE H . 25253 1 865 . 1 1 141 141 PHE HA H 1 3.812 0.020 . 1 . . . . 141 PHE HA . 25253 1 866 . 1 1 141 141 PHE HB2 H 1 3.020 0.020 . 1 . . . . 141 PHE HB2 . 25253 1 867 . 1 1 141 141 PHE HB3 H 1 3.358 0.020 . 2 . . . . 141 PHE HB3 . 25253 1 868 . 1 1 141 141 PHE N N 15 123.762 0.3 . 1 . . . . 141 PHE N . 25253 1 869 . 1 1 142 142 VAL H H 1 8.601 0.020 . 1 . . . . 142 VAL H . 25253 1 870 . 1 1 142 142 VAL HA H 1 3.237 0.020 . 1 . . . . 142 VAL HA . 25253 1 871 . 1 1 142 142 VAL HB H 1 1.759 0.020 . 1 . . . . 142 VAL HB . 25253 1 872 . 1 1 142 142 VAL HG11 H 1 0.776 0.020 . 1 . . . . 142 VAL HG1 . 25253 1 873 . 1 1 142 142 VAL HG12 H 1 0.776 0.020 . 1 . . . . 142 VAL HG1 . 25253 1 874 . 1 1 142 142 VAL HG13 H 1 0.776 0.020 . 1 . . . . 142 VAL HG1 . 25253 1 875 . 1 1 142 142 VAL HG21 H 1 0.512 0.020 . 1 . . . . 142 VAL HG2 . 25253 1 876 . 1 1 142 142 VAL HG22 H 1 0.512 0.020 . 1 . . . . 142 VAL HG2 . 25253 1 877 . 1 1 142 142 VAL HG23 H 1 0.512 0.020 . 1 . . . . 142 VAL HG2 . 25253 1 878 . 1 1 142 142 VAL N N 15 118.506 0.3 . 1 . . . . 142 VAL N . 25253 1 879 . 1 1 143 143 GLN H H 1 7.848 0.020 . 1 . . . . 143 GLN H . 25253 1 880 . 1 1 143 143 GLN HA H 1 3.812 0.020 . 1 . . . . 143 GLN HA . 25253 1 881 . 1 1 143 143 GLN HB2 H 1 2.070 0.020 . 1 . . . . 143 GLN HB2 . 25253 1 882 . 1 1 143 143 GLN HB3 H 1 2.070 0.020 . 1 . . . . 143 GLN HB3 . 25253 1 883 . 1 1 143 143 GLN HG2 H 1 2.322 0.020 . 1 . . . . 143 GLN HG2 . 25253 1 884 . 1 1 143 143 GLN HG3 H 1 2.322 0.020 . 1 . . . . 143 GLN HG3 . 25253 1 885 . 1 1 143 143 GLN N N 15 119.260 0.3 . 1 . . . . 143 GLN N . 25253 1 886 . 1 1 144 144 MET H H 1 7.444 0.020 . 1 . . . . 144 MET H . 25253 1 887 . 1 1 144 144 MET HA H 1 4.053 0.020 . 1 . . . . 144 MET HA . 25253 1 888 . 1 1 144 144 MET HB2 H 1 1.565 0.020 . 1 . . . . 144 MET HB2 . 25253 1 889 . 1 1 144 144 MET HB3 H 1 1.565 0.020 . 1 . . . . 144 MET HB3 . 25253 1 890 . 1 1 144 144 MET HG2 H 1 1.565 0.020 . 1 . . . . 144 MET HG2 . 25253 1 891 . 1 1 144 144 MET HG3 H 1 1.565 0.020 . 1 . . . . 144 MET HG3 . 25253 1 892 . 1 1 144 144 MET N N 15 116.781 0.3 . 1 . . . . 144 MET N . 25253 1 893 . 1 1 145 145 MET H H 1 7.569 0.020 . 1 . . . . 145 MET H . 25253 1 894 . 1 1 145 145 MET HA H 1 4.149 0.020 . 1 . . . . 145 MET HA . 25253 1 895 . 1 1 145 145 MET HB2 H 1 1.889 0.020 . 1 . . . . 145 MET HB2 . 25253 1 896 . 1 1 145 145 MET HB3 H 1 1.889 0.020 . 1 . . . . 145 MET HB3 . 25253 1 897 . 1 1 145 145 MET N N 15 114.826 0.3 . 1 . . . . 145 MET N . 25253 1 898 . 1 1 146 146 THR H H 1 7.650 0.020 . 1 . . . . 146 THR H . 25253 1 899 . 1 1 146 146 THR HA H 1 4.274 0.020 . 1 . . . . 146 THR HA . 25253 1 900 . 1 1 146 146 THR HG21 H 1 1.099 0.020 . 1 . . . . 146 THR HG2 . 25253 1 901 . 1 1 146 146 THR HG22 H 1 1.099 0.020 . 1 . . . . 146 THR HG2 . 25253 1 902 . 1 1 146 146 THR HG23 H 1 1.099 0.020 . 1 . . . . 146 THR HG2 . 25253 1 903 . 1 1 146 146 THR N N 15 108.642 0.3 . 1 . . . . 146 THR N . 25253 1 904 . 1 1 147 147 ALA H H 1 7.689 0.020 . 1 . . . . 147 ALA H . 25253 1 905 . 1 1 147 147 ALA HA H 1 4.267 0.020 . 1 . . . . 147 ALA HA . 25253 1 906 . 1 1 147 147 ALA HB1 H 1 1.362 0.020 . 1 . . . . 147 ALA HB . 25253 1 907 . 1 1 147 147 ALA HB2 H 1 1.362 0.020 . 1 . . . . 147 ALA HB . 25253 1 908 . 1 1 147 147 ALA HB3 H 1 1.362 0.020 . 1 . . . . 147 ALA HB . 25253 1 909 . 1 1 147 147 ALA N N 15 126.536 0.3 . 1 . . . . 147 ALA N . 25253 1 910 . 1 1 148 148 LYS H H 1 7.884 0.020 . 1 . . . . 148 LYS H . 25253 1 911 . 1 1 148 148 LYS HA H 1 4.077 0.020 . 1 . . . . 148 LYS HA . 25253 1 912 . 1 1 148 148 LYS HB2 H 1 1.685 0.020 . 1 . . . . 148 LYS HB2 . 25253 1 913 . 1 1 148 148 LYS HB3 H 1 1.685 0.020 . 1 . . . . 148 LYS HB3 . 25253 1 914 . 1 1 148 148 LYS HG2 H 1 1.333 0.020 . 1 . . . . 148 LYS HG2 . 25253 1 915 . 1 1 148 148 LYS HG3 H 1 1.333 0.020 . 1 . . . . 148 LYS HG3 . 25253 1 916 . 1 1 148 148 LYS N N 15 125.902 0.3 . 1 . . . . 148 LYS N . 25253 1 stop_ save_