data_25172 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25172 _Entry.Title ; H, 13C and 15N assignments of EGF domains 4 to 7 of human Notch-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-25 _Entry.Accession_date 2014-08-25 _Entry.Last_release_date 2016-06-30 _Entry.Original_release_date 2016-06-30 _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 Penny Handford . A. . . 25172 2 Christina Redfield . . . . 25172 3 Philip Weisshuhn . C. . . 25172 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Biochemistry, Oxford University' . 25172 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25172 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 489 25172 '15N chemical shifts' 146 25172 '1H chemical shifts' 752 25172 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-06-30 . original BMRB . 25172 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25172 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26996961 _Citation.Full_citation . _Citation.Title ; Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 4 _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 555 _Citation.Page_last 566 _Citation.Year 2016 _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 Philip Weisshuhn . C. . . 25172 1 2 Devon Sheppard . . . . 25172 1 3 Paul Taylor . . . . 25172 1 4 Pat Whiteman . . . . 25172 1 5 Susan Lea . M. . . 25172 1 6 Penny Handford . A. . . 25172 1 7 Christina Redfield . . . . 25172 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'EGF domain' 25172 1 'Human Notch-1' 25172 1 'NMR resonance assignment' 25172 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25172 _Assembly.ID 1 _Assembly.Name 'Ca-bound hN-1 4-7' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 . _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 'hN-1 4-7' 1 $hN-1_4-7 A . yes native no no . protein 'four EGF-domain-containing protein (EGF4-EGF5-EGF6-EGF7)' 25172 1 2 'Ca2+, 1' 2 $entity_CA A . no na no no . ligand 'calcium ion bound to EGF5' 25172 1 3 'Ca2+, 2' 2 $entity_CA A . no na no no . ligand 'calcium ion bound to EGF7' 25172 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hN-1_4-7 _Entity.Sf_category entity _Entity.Sf_framecode hN-1_4-7 _Entity.Entry_ID 25172 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hN-1_4-7 _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 ; SAQADPCASNPCANGGQCLP FEASYICHCPPSFHGPTCRQ DVNECGQKPGLCRHGGTCHN EVGSYRCVCRATHTGPNCER PYVPCSPSPCQNGGTCRPTG DVTHECACLPGFTGQNCEEN IDDCPGNNCKNGGACVDGVN TYNCRCPPEWTGQYCTE ; _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 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment EGF4-EGF5-EGF6-EGF7 _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 SER . 25172 1 2 2 ALA . 25172 1 3 3 GLN . 25172 1 4 4 ALA . 25172 1 5 5 ASP . 25172 1 6 6 PRO . 25172 1 7 7 CYS . 25172 1 8 8 ALA . 25172 1 9 9 SER . 25172 1 10 10 ASN . 25172 1 11 11 PRO . 25172 1 12 12 CYS . 25172 1 13 13 ALA . 25172 1 14 14 ASN . 25172 1 15 15 GLY . 25172 1 16 16 GLY . 25172 1 17 17 GLN . 25172 1 18 18 CYS . 25172 1 19 19 LEU . 25172 1 20 20 PRO . 25172 1 21 21 PHE . 25172 1 22 22 GLU . 25172 1 23 23 ALA . 25172 1 24 24 SER . 25172 1 25 25 TYR . 25172 1 26 26 ILE . 25172 1 27 27 CYS . 25172 1 28 28 HIS . 25172 1 29 29 CYS . 25172 1 30 30 PRO . 25172 1 31 31 PRO . 25172 1 32 32 SER . 25172 1 33 33 PHE . 25172 1 34 34 HIS . 25172 1 35 35 GLY . 25172 1 36 36 PRO . 25172 1 37 37 THR . 25172 1 38 38 CYS . 25172 1 39 39 ARG . 25172 1 40 40 GLN . 25172 1 41 41 ASP . 25172 1 42 42 VAL . 25172 1 43 43 ASN . 25172 1 44 44 GLU . 25172 1 45 45 CYS . 25172 1 46 46 GLY . 25172 1 47 47 GLN . 25172 1 48 48 LYS . 25172 1 49 49 PRO . 25172 1 50 50 GLY . 25172 1 51 51 LEU . 25172 1 52 52 CYS . 25172 1 53 53 ARG . 25172 1 54 54 HIS . 25172 1 55 55 GLY . 25172 1 56 56 GLY . 25172 1 57 57 THR . 25172 1 58 58 CYS . 25172 1 59 59 HIS . 25172 1 60 60 ASN . 25172 1 61 61 GLU . 25172 1 62 62 VAL . 25172 1 63 63 GLY . 25172 1 64 64 SER . 25172 1 65 65 TYR . 25172 1 66 66 ARG . 25172 1 67 67 CYS . 25172 1 68 68 VAL . 25172 1 69 69 CYS . 25172 1 70 70 ARG . 25172 1 71 71 ALA . 25172 1 72 72 THR . 25172 1 73 73 HIS . 25172 1 74 74 THR . 25172 1 75 75 GLY . 25172 1 76 76 PRO . 25172 1 77 77 ASN . 25172 1 78 78 CYS . 25172 1 79 79 GLU . 25172 1 80 80 ARG . 25172 1 81 81 PRO . 25172 1 82 82 TYR . 25172 1 83 83 VAL . 25172 1 84 84 PRO . 25172 1 85 85 CYS . 25172 1 86 86 SER . 25172 1 87 87 PRO . 25172 1 88 88 SER . 25172 1 89 89 PRO . 25172 1 90 90 CYS . 25172 1 91 91 GLN . 25172 1 92 92 ASN . 25172 1 93 93 GLY . 25172 1 94 94 GLY . 25172 1 95 95 THR . 25172 1 96 96 CYS . 25172 1 97 97 ARG . 25172 1 98 98 PRO . 25172 1 99 99 THR . 25172 1 100 100 GLY . 25172 1 101 101 ASP . 25172 1 102 102 VAL . 25172 1 103 103 THR . 25172 1 104 104 HIS . 25172 1 105 105 GLU . 25172 1 106 106 CYS . 25172 1 107 107 ALA . 25172 1 108 108 CYS . 25172 1 109 109 LEU . 25172 1 110 110 PRO . 25172 1 111 111 GLY . 25172 1 112 112 PHE . 25172 1 113 113 THR . 25172 1 114 114 GLY . 25172 1 115 115 GLN . 25172 1 116 116 ASN . 25172 1 117 117 CYS . 25172 1 118 118 GLU . 25172 1 119 119 GLU . 25172 1 120 120 ASN . 25172 1 121 121 ILE . 25172 1 122 122 ASP . 25172 1 123 123 ASP . 25172 1 124 124 CYS . 25172 1 125 125 PRO . 25172 1 126 126 GLY . 25172 1 127 127 ASN . 25172 1 128 128 ASN . 25172 1 129 129 CYS . 25172 1 130 130 LYS . 25172 1 131 131 ASN . 25172 1 132 132 GLY . 25172 1 133 133 GLY . 25172 1 134 134 ALA . 25172 1 135 135 CYS . 25172 1 136 136 VAL . 25172 1 137 137 ASP . 25172 1 138 138 GLY . 25172 1 139 139 VAL . 25172 1 140 140 ASN . 25172 1 141 141 THR . 25172 1 142 142 TYR . 25172 1 143 143 ASN . 25172 1 144 144 CYS . 25172 1 145 145 ARG . 25172 1 146 146 CYS . 25172 1 147 147 PRO . 25172 1 148 148 PRO . 25172 1 149 149 GLU . 25172 1 150 150 TRP . 25172 1 151 151 THR . 25172 1 152 152 GLY . 25172 1 153 153 GLN . 25172 1 154 154 TYR . 25172 1 155 155 CYS . 25172 1 156 156 THR . 25172 1 157 157 GLU . 25172 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 . SER 1 1 25172 1 . ALA 2 2 25172 1 . GLN 3 3 25172 1 . ALA 4 4 25172 1 . ASP 5 5 25172 1 . PRO 6 6 25172 1 . CYS 7 7 25172 1 . ALA 8 8 25172 1 . SER 9 9 25172 1 . ASN 10 10 25172 1 . PRO 11 11 25172 1 . CYS 12 12 25172 1 . ALA 13 13 25172 1 . ASN 14 14 25172 1 . GLY 15 15 25172 1 . GLY 16 16 25172 1 . GLN 17 17 25172 1 . CYS 18 18 25172 1 . LEU 19 19 25172 1 . PRO 20 20 25172 1 . PHE 21 21 25172 1 . GLU 22 22 25172 1 . ALA 23 23 25172 1 . SER 24 24 25172 1 . TYR 25 25 25172 1 . ILE 26 26 25172 1 . CYS 27 27 25172 1 . HIS 28 28 25172 1 . CYS 29 29 25172 1 . PRO 30 30 25172 1 . PRO 31 31 25172 1 . SER 32 32 25172 1 . PHE 33 33 25172 1 . HIS 34 34 25172 1 . GLY 35 35 25172 1 . PRO 36 36 25172 1 . THR 37 37 25172 1 . CYS 38 38 25172 1 . ARG 39 39 25172 1 . GLN 40 40 25172 1 . ASP 41 41 25172 1 . VAL 42 42 25172 1 . ASN 43 43 25172 1 . GLU 44 44 25172 1 . CYS 45 45 25172 1 . GLY 46 46 25172 1 . GLN 47 47 25172 1 . LYS 48 48 25172 1 . PRO 49 49 25172 1 . GLY 50 50 25172 1 . LEU 51 51 25172 1 . CYS 52 52 25172 1 . ARG 53 53 25172 1 . HIS 54 54 25172 1 . GLY 55 55 25172 1 . GLY 56 56 25172 1 . THR 57 57 25172 1 . CYS 58 58 25172 1 . HIS 59 59 25172 1 . ASN 60 60 25172 1 . GLU 61 61 25172 1 . VAL 62 62 25172 1 . GLY 63 63 25172 1 . SER 64 64 25172 1 . TYR 65 65 25172 1 . ARG 66 66 25172 1 . CYS 67 67 25172 1 . VAL 68 68 25172 1 . CYS 69 69 25172 1 . ARG 70 70 25172 1 . ALA 71 71 25172 1 . THR 72 72 25172 1 . HIS 73 73 25172 1 . THR 74 74 25172 1 . GLY 75 75 25172 1 . PRO 76 76 25172 1 . ASN 77 77 25172 1 . CYS 78 78 25172 1 . GLU 79 79 25172 1 . ARG 80 80 25172 1 . PRO 81 81 25172 1 . TYR 82 82 25172 1 . VAL 83 83 25172 1 . PRO 84 84 25172 1 . CYS 85 85 25172 1 . SER 86 86 25172 1 . PRO 87 87 25172 1 . SER 88 88 25172 1 . PRO 89 89 25172 1 . CYS 90 90 25172 1 . GLN 91 91 25172 1 . ASN 92 92 25172 1 . GLY 93 93 25172 1 . GLY 94 94 25172 1 . THR 95 95 25172 1 . CYS 96 96 25172 1 . ARG 97 97 25172 1 . PRO 98 98 25172 1 . THR 99 99 25172 1 . GLY 100 100 25172 1 . ASP 101 101 25172 1 . VAL 102 102 25172 1 . THR 103 103 25172 1 . HIS 104 104 25172 1 . GLU 105 105 25172 1 . CYS 106 106 25172 1 . ALA 107 107 25172 1 . CYS 108 108 25172 1 . LEU 109 109 25172 1 . PRO 110 110 25172 1 . GLY 111 111 25172 1 . PHE 112 112 25172 1 . THR 113 113 25172 1 . GLY 114 114 25172 1 . GLN 115 115 25172 1 . ASN 116 116 25172 1 . CYS 117 117 25172 1 . GLU 118 118 25172 1 . GLU 119 119 25172 1 . ASN 120 120 25172 1 . ILE 121 121 25172 1 . ASP 122 122 25172 1 . ASP 123 123 25172 1 . CYS 124 124 25172 1 . PRO 125 125 25172 1 . GLY 126 126 25172 1 . ASN 127 127 25172 1 . ASN 128 128 25172 1 . CYS 129 129 25172 1 . LYS 130 130 25172 1 . ASN 131 131 25172 1 . GLY 132 132 25172 1 . GLY 133 133 25172 1 . ALA 134 134 25172 1 . CYS 135 135 25172 1 . VAL 136 136 25172 1 . ASP 137 137 25172 1 . GLY 138 138 25172 1 . VAL 139 139 25172 1 . ASN 140 140 25172 1 . THR 141 141 25172 1 . TYR 142 142 25172 1 . ASN 143 143 25172 1 . CYS 144 144 25172 1 . ARG 145 145 25172 1 . CYS 146 146 25172 1 . PRO 147 147 25172 1 . PRO 148 148 25172 1 . GLU 149 149 25172 1 . TRP 150 150 25172 1 . THR 151 151 25172 1 . GLY 152 152 25172 1 . GLN 153 153 25172 1 . TYR 154 154 25172 1 . CYS 155 155 25172 1 . THR 156 156 25172 1 . GLU 157 157 25172 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 25172 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 25172 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 25172 2 CA 'Three letter code' 25172 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 25172 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 25172 _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 $hN-1_4-7 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . TAN1 . 25172 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 25172 _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 $hN-1_4-7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE-30 . . . 25172 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 25172 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 25172 CA InChI=1S/Ca/q+2 InChI InChI 1.03 25172 CA [Ca++] SMILES CACTVS 3.341 25172 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 25172 CA [Ca+2] SMILES ACDLabs 10.04 25172 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 25172 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25172 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 25172 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25172 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25172 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_4-7_D20 _Sample.Sf_category sample _Sample.Sf_framecode 4-7_D20 _Sample.Entry_ID 25172 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'hN-1 4-7' '[U-99% 15N]' . . 1 $hN-1_4-7 . . 0.4 . . mM 0.1 . . . 25172 1 2 'sodium chloride' 'natural abundance' . . . . . . 0.15 . . M 1 . . . 25172 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25172 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25172 1 stop_ save_ save_4-7_15N _Sample.Sf_category sample _Sample.Sf_framecode 4-7_15N _Sample.Entry_ID 25172 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'hN-1 4-7' '[U-99% 13C; U-99% 15N]' . . 1 $hN-1_4-7 . . 1 . . mM 0.05 . . . 25172 2 2 'Calcium chloride' 'natural abundance' . . . . . . 30 . . mM 1 . . . 25172 2 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25172 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25172 2 stop_ save_ save_4-7_15N-13C _Sample.Sf_category sample _Sample.Sf_framecode 4-7_15N-13C _Sample.Entry_ID 25172 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'hN-1 4-7' '[U-99% 13C; U-99% 15N]' . . 1 $hN-1_4-7 . . 0.4 . . mM 0.1 . . . 25172 3 2 'Calcium chloride' 'natural abundance' . . . . . . 30 . . mM 1 . . . 25172 3 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25172 3 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25172 3 stop_ save_ save_4-5_15N _Sample.Sf_category sample _Sample.Sf_framecode 4-5_15N _Sample.Entry_ID 25172 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'hN-1 4-5' '[U-99% 15N]' . . 1 $hN-1_4-7 . . 1 . . mM 0.1 . . . 25172 4 2 'Calcium chloride' 'natural abundance' . . . . . . 30 . . mM 1 . . . 25172 4 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25172 4 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25172 4 stop_ save_ save_5-7_15N _Sample.Sf_category sample _Sample.Sf_framecode 5-7_15N _Sample.Entry_ID 25172 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'hN-1 5-7' '[U-99% 15N]' . . 1 $hN-1_4-7 . . 3.2 . . mM 0.1 . . . 25172 5 2 'Calcium chloride' 'natural abundance' . . . . . . 80 . . mM 5 . . . 25172 5 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25172 5 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25172 5 stop_ save_ save_5-7_15N-13C _Sample.Sf_category sample _Sample.Sf_framecode 5-7_15N-13C _Sample.Entry_ID 25172 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'hN-1 5-7' '[U-99% 13C; U-99% 15N]' . . 1 $hN-1_4-7 . . 2 . . mM 0.05 . . . 25172 6 2 'Calcium chloride' 'natural abundance' . . . . . . 80 . . mM 1 . . . 25172 6 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25172 6 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25172 6 stop_ save_ save_4-6_15N _Sample.Sf_category sample _Sample.Sf_framecode 4-6_15N _Sample.Entry_ID 25172 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'hN-1 4-6' '[U-99% 13C; U-99% 15N]' . . 1 $hN-1_4-7 . . 1.6 . . mM 0.05 . . . 25172 7 2 'Calcium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 25172 7 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25172 7 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25172 7 stop_ save_ save_4-6_15N-13C _Sample.Sf_category sample _Sample.Sf_framecode 4-6_15N-13C _Sample.Entry_ID 25172 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'hN-1 4-6' '[U-99% 13C; U-99% 15N]' . . 1 $hN-1_4-7 . . 1 . . mM 0.05 . . . 25172 8 2 'Calcium chloride' 'natural abundance' . . . . . . 30 . . mM 0.1 . . . 25172 8 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25172 8 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25172 8 stop_ save_ ####################### # Sample conditions # ####################### save_1D_1H _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 1D_1H _Sample_condition_list.Entry_ID 25172 _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' 150 . mM 25172 1 pH 7.5 . pH 25172 1 pressure 1 . atm 25172 1 temperature 273 . K 25172 1 stop_ save_ save_30_mM_Ca2+ _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 30_mM_Ca2+ _Sample_condition_list.Entry_ID 25172 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 25172 2 pH 6.1 . pH 25172 2 pressure 1 . atm 25172 2 temperature 273 . K 25172 2 stop_ save_ save_80_mM_Ca2+ _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 80_mM_Ca2+ _Sample_condition_list.Entry_ID 25172 _Sample_condition_list.ID 3 _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' 320 . mM 25172 3 pH 6.1 . pH 25172 3 pressure 1 . atm 25172 3 temperature 273 . K 25172 3 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25172 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25172 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25172 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 25172 _Software.ID 2 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25172 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25172 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25172 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25172 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25172 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25172 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 25172 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 25172 _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 Avance . 500 cryoprobe . . 25172 1 2 spectrometer_2 Home-built OMEGA . 500 . . . 25172 1 3 spectrometer_3 Home-built OMEGA . 600 . . . 25172 1 4 spectrometer_4 Home-built OMEGA . 750 . . . 25172 1 5 spectrometer_5 Home-built OMEGA . 950 . . . 25172 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 25172 _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 '1D 1H' no . . . . . . . . . . 1 $4-7_D20 isotropic . . 1 $1D_1H . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25172 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $4-7_15N isotropic . . 2 $30_mM_Ca2+ . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25172 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $4-7_15N isotropic . . 2 $30_mM_Ca2+ . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25172 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $4-5_15N isotropic . . 2 $30_mM_Ca2+ . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25172 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 4 $4-5_15N isotropic . . 2 $30_mM_Ca2+ . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25172 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 5 $5-7_15N isotropic . . 3 $80_mM_Ca2+ . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25172 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 5 $5-7_15N isotropic . . 3 $80_mM_Ca2+ . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25172 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 7 $4-6_15N isotropic . . 2 $30_mM_Ca2+ . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25172 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 7 $4-6_15N isotropic . . 2 $30_mM_Ca2+ . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25172 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $4-7_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $5-7_15N-13C isotropic . . 3 $80_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $4-5_15N isotropic . . 2 $30_mM_Ca2+ . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25172 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $5-7_15N isotropic . . 2 $30_mM_Ca2+ . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25172 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $4-6_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 15 '3D HBHA(CO)NH' no . . . . . . . . . . 6 $5-7_15N-13C isotropic . . 3 $80_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 16 '3D HBHA(CO)NH' no . . . . . . . . . . 8 $4-6_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 17 '3D HNCA' no . . . . . . . . . . 6 $5-7_15N-13C isotropic . . 3 $80_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 18 '3D HNCA' no . . . . . . . . . . 8 $4-6_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 19 '3D HNCA' no . . . . . . . . . . 3 $4-7_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 20 '3D CBCA(CO)NH' no . . . . . . . . . . 6 $5-7_15N-13C isotropic . . 3 $80_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 21 '3D CBCA(CO)NH' no . . . . . . . . . . 8 $4-6_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 22 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $4-7_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 23 '3D HNCO' no . . . . . . . . . . 3 $4-7_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 24 '3D HNCO' no . . . . . . . . . . 6 $5-7_15N-13C isotropic . . 3 $80_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 25 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $4-7_D20 isotropic . . 1 $1D_1H . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25172 1 26 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $4-7_15N isotropic . . 2 $30_mM_Ca2+ . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25172 1 27 '3D HN(CO)CA' no . . . . . . . . . . 6 $5-7_15N-13C isotropic . . 3 $80_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 28 '3D HN(CO)CA' no . . . . . . . . . . 3 $4-7_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 29 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $5-7_15N-13C isotropic . . 3 $80_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 30 '3D HCCH-TOCSY' no . . . . . . . . . . 8 $4-6_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 31 '3D 1H-13C NOESY' no . . . . . . . . . . 8 $4-6_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 32 '3D 1H-13C NOESY' no . . . . . . . . . . 6 $5-7_15N-13C isotropic . . 3 $80_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 33 '2D 1H-13C HSQC' no . . . . . . . . . . 8 $4-6_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 34 '2D 1H-13C HSQC' no . . . . . . . . . . 6 $5-7_15N-13C isotropic . . 3 $80_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 1 35 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $4-7_15N-13C isotropic . . 2 $30_mM_Ca2+ . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25172 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 25172 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25172 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25172 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25172 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 25172 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $30_mM_Ca2+ _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 2 '3D 1H-15N NOESY' . . . 25172 1 3 '3D 1H-15N TOCSY' . . . 25172 1 6 '3D 1H-15N NOESY' . . . 25172 1 7 '3D 1H-15N TOCSY' . . . 25172 1 8 '3D 1H-15N NOESY' . . . 25172 1 9 '3D 1H-15N TOCSY' . . . 25172 1 10 '2D 1H-15N HSQC' . . . 25172 1 12 '2D 1H-15N HSQC' . . . 25172 1 13 '2D 1H-15N HSQC' . . . 25172 1 14 '2D 1H-15N HSQC' . . . 25172 1 15 '3D HBHA(CO)NH' . . . 25172 1 16 '3D HBHA(CO)NH' . . . 25172 1 17 '3D HNCA' . . . 25172 1 18 '3D HNCA' . . . 25172 1 19 '3D HNCA' . . . 25172 1 20 '3D CBCA(CO)NH' . . . 25172 1 21 '3D CBCA(CO)NH' . . . 25172 1 22 '3D CBCA(CO)NH' . . . 25172 1 25 '2D 1H-1H NOESY' . . . 25172 1 27 '3D HN(CO)CA' . . . 25172 1 28 '3D HN(CO)CA' . . . 25172 1 29 '3D HCCH-TOCSY' . . . 25172 1 30 '3D HCCH-TOCSY' . . . 25172 1 31 '3D 1H-13C NOESY' . . . 25172 1 32 '3D 1H-13C NOESY' . . . 25172 1 33 '2D 1H-13C HSQC' . . . 25172 1 34 '2D 1H-13C HSQC' . . . 25172 1 35 '2D 1H-13C HSQC' . . . 25172 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 2 $CCPN_Analysis . . 25172 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLN H H 1 8.395 0.007 . 1 . . . . 3 Gln H . 25172 1 2 . 1 1 3 3 GLN HA H 1 4.320 0.011 . 1 . . . . 3 Gln HA . 25172 1 3 . 1 1 3 3 GLN HB2 H 1 2.081 0.000 . 2 . . . . 3 Gln HB2 . 25172 1 4 . 1 1 3 3 GLN HB3 H 1 1.986 0.000 . 2 . . . . 3 Gln HB3 . 25172 1 5 . 1 1 3 3 GLN HG2 H 1 2.372 0.000 . 2 . . . . 3 Gln HG2 . 25172 1 6 . 1 1 3 3 GLN HG3 H 1 2.390 0.018 . 2 . . . . 3 Gln HG3 . 25172 1 7 . 1 1 3 3 GLN C C 13 175.556 0.000 . 1 . . . . 3 Gln C . 25172 1 8 . 1 1 3 3 GLN CA C 13 55.780 0.017 . 1 . . . . 3 Gln CA . 25172 1 9 . 1 1 3 3 GLN CB C 13 29.836 0.000 . 1 . . . . 3 Gln CB . 25172 1 10 . 1 1 3 3 GLN CG C 13 33.804 0.000 . 1 . . . . 3 Gln CG . 25172 1 11 . 1 1 3 3 GLN N N 15 120.100 0.052 . 1 . . . . 3 Gln N . 25172 1 12 . 1 1 4 4 ALA H H 1 8.362 0.007 . 1 . . . . 4 Ala H . 25172 1 13 . 1 1 4 4 ALA HA H 1 4.264 0.009 . 1 . . . . 4 Ala HA . 25172 1 14 . 1 1 4 4 ALA HB1 H 1 1.338 0.000 . 1 . . . . 4 Ala HB1 . 25172 1 15 . 1 1 4 4 ALA HB2 H 1 1.338 0.000 . 1 . . . . 4 Ala HB2 . 25172 1 16 . 1 1 4 4 ALA HB3 H 1 1.338 0.000 . 1 . . . . 4 Ala HB3 . 25172 1 17 . 1 1 4 4 ALA C C 13 176.996 0.000 . 1 . . . . 4 Ala C . 25172 1 18 . 1 1 4 4 ALA CA C 13 52.377 0.000 . 1 . . . . 4 Ala CA . 25172 1 19 . 1 1 4 4 ALA CB C 13 19.515 0.000 . 1 . . . . 4 Ala CB . 25172 1 20 . 1 1 4 4 ALA N N 15 125.877 0.109 . 1 . . . . 4 Ala N . 25172 1 21 . 1 1 5 5 ASP H H 1 8.353 0.007 . 1 . . . . 5 Asp H . 25172 1 22 . 1 1 5 5 ASP HA H 1 4.913 0.016 . 1 . . . . 5 Asp HA . 25172 1 23 . 1 1 5 5 ASP HB2 H 1 2.681 0.022 . 2 . . . . 5 Asp HB2 . 25172 1 24 . 1 1 5 5 ASP HB3 H 1 2.830 0.014 . 2 . . . . 5 Asp HB3 . 25172 1 25 . 1 1 5 5 ASP CA C 13 51.444 0.025 . 1 . . . . 5 Asp CA . 25172 1 26 . 1 1 5 5 ASP CB C 13 41.753 0.025 . 1 . . . . 5 Asp CB . 25172 1 27 . 1 1 5 5 ASP N N 15 120.896 0.132 . 1 . . . . 5 Asp N . 25172 1 28 . 1 1 6 6 PRO HA H 1 4.444 0.013 . 1 . . . . 6 Pro HA . 25172 1 29 . 1 1 6 6 PRO HB2 H 1 2.428 0.012 . 2 . . . . 6 Pro HB2 . 25172 1 30 . 1 1 6 6 PRO HB3 H 1 1.867 0.000 . 2 . . . . 6 Pro HB3 . 25172 1 31 . 1 1 6 6 PRO HG2 H 1 1.969 0.012 . 2 . . . . 6 Pro HG2 . 25172 1 32 . 1 1 6 6 PRO HG3 H 1 2.147 0.012 . 2 . . . . 6 Pro HG3 . 25172 1 33 . 1 1 6 6 PRO HD2 H 1 3.975 0.000 . 2 . . . . 6 Pro HD2 . 25172 1 34 . 1 1 6 6 PRO HD3 H 1 3.986 0.015 . 2 . . . . 6 Pro HD3 . 25172 1 35 . 1 1 6 6 PRO C C 13 177.412 0.000 . 1 . . . . 6 Pro C . 25172 1 36 . 1 1 6 6 PRO CA C 13 64.414 0.064 . 1 . . . . 6 Pro CA . 25172 1 37 . 1 1 6 6 PRO CB C 13 33.221 0.044 . 1 . . . . 6 Pro CB . 25172 1 38 . 1 1 6 6 PRO CG C 13 27.579 0.024 . 1 . . . . 6 Pro CG . 25172 1 39 . 1 1 6 6 PRO CD C 13 51.135 0.000 . 1 . . . . 6 Pro CD . 25172 1 40 . 1 1 7 7 CYS H H 1 8.433 0.008 . 1 . . . . 7 Cys H . 25172 1 41 . 1 1 7 7 CYS HA H 1 4.459 0.025 . 1 . . . . 7 Cys HA . 25172 1 42 . 1 1 7 7 CYS HB2 H 1 2.946 0.006 . 2 . . . . 7 Cys HB2 . 25172 1 43 . 1 1 7 7 CYS HB3 H 1 3.225 0.003 . 2 . . . . 7 Cys HB3 . 25172 1 44 . 1 1 7 7 CYS C C 13 176.578 0.000 . 1 . . . . 7 Cys C . 25172 1 45 . 1 1 7 7 CYS CA C 13 53.903 0.003 . 1 . . . . 7 Cys CA . 25172 1 46 . 1 1 7 7 CYS CB C 13 39.793 0.000 . 1 . . . . 7 Cys CB . 25172 1 47 . 1 1 7 7 CYS N N 15 114.205 0.139 . 1 . . . . 7 Cys N . 25172 1 48 . 1 1 8 8 ALA H H 1 7.585 0.007 . 1 . . . . 8 Ala H . 25172 1 49 . 1 1 8 8 ALA HA H 1 4.015 0.007 . 1 . . . . 8 Ala HA . 25172 1 50 . 1 1 8 8 ALA HB1 H 1 1.480 0.003 . 1 . . . . 8 Ala HB1 . 25172 1 51 . 1 1 8 8 ALA HB2 H 1 1.480 0.003 . 1 . . . . 8 Ala HB2 . 25172 1 52 . 1 1 8 8 ALA HB3 H 1 1.480 0.003 . 1 . . . . 8 Ala HB3 . 25172 1 53 . 1 1 8 8 ALA C C 13 178.324 0.000 . 1 . . . . 8 Ala C . 25172 1 54 . 1 1 8 8 ALA CA C 13 55.379 0.002 . 1 . . . . 8 Ala CA . 25172 1 55 . 1 1 8 8 ALA CB C 13 18.755 0.000 . 1 . . . . 8 Ala CB . 25172 1 56 . 1 1 8 8 ALA N N 15 125.556 0.130 . 1 . . . . 8 Ala N . 25172 1 57 . 1 1 9 9 SER H H 1 7.729 0.007 . 1 . . . . 9 Ser H . 25172 1 58 . 1 1 9 9 SER HA H 1 4.358 0.000 . 1 . . . . 9 Ser HA . 25172 1 59 . 1 1 9 9 SER HB2 H 1 3.787 0.000 . 1 . . . . 9 Ser HB2 . 25172 1 60 . 1 1 9 9 SER HB3 H 1 3.787 0.000 . 1 . . . . 9 Ser HB3 . 25172 1 61 . 1 1 9 9 SER C C 13 173.844 0.000 . 1 . . . . 9 Ser C . 25172 1 62 . 1 1 9 9 SER CA C 13 57.738 0.002 . 1 . . . . 9 Ser CA . 25172 1 63 . 1 1 9 9 SER CB C 13 63.112 0.000 . 1 . . . . 9 Ser CB . 25172 1 64 . 1 1 9 9 SER N N 15 110.392 0.128 . 1 . . . . 9 Ser N . 25172 1 65 . 1 1 10 10 ASN H H 1 8.012 0.008 . 1 . . . . 10 Asn H . 25172 1 66 . 1 1 10 10 ASN HA H 1 4.426 0.000 . 1 . . . . 10 Asn HA . 25172 1 67 . 1 1 10 10 ASN HB2 H 1 2.896 0.000 . 1 . . . . 10 Asn HB2 . 25172 1 68 . 1 1 10 10 ASN HB3 H 1 2.896 0.000 . 1 . . . . 10 Asn HB3 . 25172 1 69 . 1 1 10 10 ASN HD21 H 1 7.418 0.000 . 1 . . . . 10 Asn HD21 . 25172 1 70 . 1 1 10 10 ASN HD22 H 1 6.696 0.000 . 1 . . . . 10 Asn HD22 . 25172 1 71 . 1 1 10 10 ASN CA C 13 53.516 0.000 . 1 . . . . 10 Asn CA . 25172 1 72 . 1 1 10 10 ASN CB C 13 37.718 0.000 . 1 . . . . 10 Asn CB . 25172 1 73 . 1 1 10 10 ASN N N 15 117.532 0.038 . 1 . . . . 10 Asn N . 25172 1 74 . 1 1 10 10 ASN ND2 N 15 111.902 0.001 . 1 . . . . 10 Asn ND2 . 25172 1 75 . 1 1 11 11 PRO HA H 1 4.272 0.019 . 1 . . . . 11 Pro HA . 25172 1 76 . 1 1 11 11 PRO HB2 H 1 1.644 0.016 . 2 . . . . 11 Pro HB2 . 25172 1 77 . 1 1 11 11 PRO HB3 H 1 1.770 0.011 . 2 . . . . 11 Pro HB3 . 25172 1 78 . 1 1 11 11 PRO HG2 H 1 1.219 0.000 . 2 . . . . 11 Pro HG2 . 25172 1 79 . 1 1 11 11 PRO HG3 H 1 0.742 0.000 . 2 . . . . 11 Pro HG3 . 25172 1 80 . 1 1 11 11 PRO HD2 H 1 3.475 0.000 . 1 . . . . 11 Pro HD2 . 25172 1 81 . 1 1 11 11 PRO HD3 H 1 3.475 0.000 . 1 . . . . 11 Pro HD3 . 25172 1 82 . 1 1 11 11 PRO C C 13 176.942 0.000 . 1 . . . . 11 Pro C . 25172 1 83 . 1 1 11 11 PRO CA C 13 64.084 0.081 . 1 . . . . 11 Pro CA . 25172 1 84 . 1 1 11 11 PRO CB C 13 32.676 0.029 . 1 . . . . 11 Pro CB . 25172 1 85 . 1 1 11 11 PRO CG C 13 26.519 0.000 . 1 . . . . 11 Pro CG . 25172 1 86 . 1 1 11 11 PRO CD C 13 50.713 0.000 . 1 . . . . 11 Pro CD . 25172 1 87 . 1 1 12 12 CYS H H 1 7.820 0.013 . 1 . . . . 12 Cys H . 25172 1 88 . 1 1 12 12 CYS HA H 1 4.320 0.000 . 1 . . . . 12 Cys HA . 25172 1 89 . 1 1 12 12 CYS HB2 H 1 2.778 0.000 . 2 . . . . 12 Cys HB2 . 25172 1 90 . 1 1 12 12 CYS HB3 H 1 2.334 0.000 . 2 . . . . 12 Cys HB3 . 25172 1 91 . 1 1 12 12 CYS C C 13 173.288 0.000 . 1 . . . . 12 Cys C . 25172 1 92 . 1 1 12 12 CYS CA C 13 53.346 0.016 . 1 . . . . 12 Cys CA . 25172 1 93 . 1 1 12 12 CYS CB C 13 38.798 0.000 . 1 . . . . 12 Cys CB . 25172 1 94 . 1 1 12 12 CYS N N 15 118.113 0.056 . 1 . . . . 12 Cys N . 25172 1 95 . 1 1 13 13 ALA H H 1 8.308 0.009 . 1 . . . . 13 Ala H . 25172 1 96 . 1 1 13 13 ALA HA H 1 4.308 0.000 . 1 . . . . 13 Ala HA . 25172 1 97 . 1 1 13 13 ALA HB1 H 1 1.195 0.000 . 1 . . . . 13 Ala HB1 . 25172 1 98 . 1 1 13 13 ALA HB2 H 1 1.195 0.000 . 1 . . . . 13 Ala HB2 . 25172 1 99 . 1 1 13 13 ALA HB3 H 1 1.195 0.000 . 1 . . . . 13 Ala HB3 . 25172 1 100 . 1 1 13 13 ALA C C 13 177.207 0.000 . 1 . . . . 13 Ala C . 25172 1 101 . 1 1 13 13 ALA CA C 13 51.399 0.003 . 1 . . . . 13 Ala CA . 25172 1 102 . 1 1 13 13 ALA CB C 13 21.517 0.000 . 1 . . . . 13 Ala CB . 25172 1 103 . 1 1 13 13 ALA N N 15 127.399 0.073 . 1 . . . . 13 Ala N . 25172 1 104 . 1 1 14 14 ASN H H 1 8.602 0.014 . 1 . . . . 14 Asn H . 25172 1 105 . 1 1 14 14 ASN HA H 1 4.027 0.001 . 1 . . . . 14 Asn HA . 25172 1 106 . 1 1 14 14 ASN HB2 H 1 2.148 0.000 . 2 . . . . 14 Asn HB2 . 25172 1 107 . 1 1 14 14 ASN HB3 H 1 2.038 0.000 . 2 . . . . 14 Asn HB3 . 25172 1 108 . 1 1 14 14 ASN C C 13 174.549 0.000 . 1 . . . . 14 Asn C . 25172 1 109 . 1 1 14 14 ASN CA C 13 55.041 0.000 . 1 . . . . 14 Asn CA . 25172 1 110 . 1 1 14 14 ASN CB C 13 37.399 0.000 . 1 . . . . 14 Asn CB . 25172 1 111 . 1 1 14 14 ASN N N 15 111.060 0.148 . 1 . . . . 14 Asn N . 25172 1 112 . 1 1 15 15 GLY H H 1 8.490 0.008 . 1 . . . . 15 Gly H . 25172 1 113 . 1 1 15 15 GLY HA2 H 1 3.636 0.000 . 2 . . . . 15 Gly HA2 . 25172 1 114 . 1 1 15 15 GLY HA3 H 1 4.105 0.017 . 2 . . . . 15 Gly HA3 . 25172 1 115 . 1 1 15 15 GLY C C 13 176.404 0.000 . 1 . . . . 15 Gly C . 25172 1 116 . 1 1 15 15 GLY CA C 13 45.250 0.017 . 1 . . . . 15 Gly CA . 25172 1 117 . 1 1 15 15 GLY N N 15 103.207 0.124 . 1 . . . . 15 Gly N . 25172 1 118 . 1 1 16 16 GLY H H 1 7.879 0.006 . 1 . . . . 16 Gly H . 25172 1 119 . 1 1 16 16 GLY HA2 H 1 4.325 0.011 . 2 . . . . 16 Gly HA2 . 25172 1 120 . 1 1 16 16 GLY HA3 H 1 3.511 0.008 . 2 . . . . 16 Gly HA3 . 25172 1 121 . 1 1 16 16 GLY C C 13 171.149 0.000 . 1 . . . . 16 Gly C . 25172 1 122 . 1 1 16 16 GLY CA C 13 46.026 0.062 . 1 . . . . 16 Gly CA . 25172 1 123 . 1 1 16 16 GLY N N 15 106.685 0.264 . 1 . . . . 16 Gly N . 25172 1 124 . 1 1 17 17 GLN H H 1 8.430 0.011 . 1 . . . . 17 Gln H . 25172 1 125 . 1 1 17 17 GLN HA H 1 4.530 0.000 . 1 . . . . 17 Gln HA . 25172 1 126 . 1 1 17 17 GLN HB2 H 1 2.088 0.000 . 2 . . . . 17 Gln HB2 . 25172 1 127 . 1 1 17 17 GLN HB3 H 1 2.190 0.000 . 2 . . . . 17 Gln HB3 . 25172 1 128 . 1 1 17 17 GLN HG2 H 1 2.343 0.000 . 2 . . . . 17 Gln HG2 . 25172 1 129 . 1 1 17 17 GLN HG3 H 1 2.428 0.000 . 2 . . . . 17 Gln HG3 . 25172 1 130 . 1 1 17 17 GLN C C 13 173.880 0.000 . 1 . . . . 17 Gln C . 25172 1 131 . 1 1 17 17 GLN CA C 13 54.540 0.000 . 1 . . . . 17 Gln CA . 25172 1 132 . 1 1 17 17 GLN CB C 13 31.231 0.000 . 1 . . . . 17 Gln CB . 25172 1 133 . 1 1 17 17 GLN N N 15 121.840 0.138 . 1 . . . . 17 Gln N . 25172 1 134 . 1 1 18 18 CYS H H 1 8.927 0.012 . 1 . . . . 18 Cys H . 25172 1 135 . 1 1 18 18 CYS HA H 1 5.042 0.000 . 1 . . . . 18 Cys HA . 25172 1 136 . 1 1 18 18 CYS HB2 H 1 3.040 0.000 . 1 . . . . 18 Cys HB2 . 25172 1 137 . 1 1 18 18 CYS HB3 H 1 3.040 0.000 . 1 . . . . 18 Cys HB3 . 25172 1 138 . 1 1 18 18 CYS C C 13 173.997 0.000 . 1 . . . . 18 Cys C . 25172 1 139 . 1 1 18 18 CYS CA C 13 57.336 0.000 . 1 . . . . 18 Cys CA . 25172 1 140 . 1 1 18 18 CYS CB C 13 38.773 0.000 . 1 . . . . 18 Cys CB . 25172 1 141 . 1 1 18 18 CYS N N 15 127.741 0.145 . 1 . . . . 18 Cys N . 25172 1 142 . 1 1 19 19 LEU H H 1 9.403 0.005 . 1 . . . . 19 Leu H . 25172 1 143 . 1 1 19 19 LEU HA H 1 5.107 0.009 . 1 . . . . 19 Leu HA . 25172 1 144 . 1 1 19 19 LEU HB2 H 1 1.624 0.005 . 2 . . . . 19 Leu HB2 . 25172 1 145 . 1 1 19 19 LEU HB3 H 1 1.629 0.000 . 2 . . . . 19 Leu HB3 . 25172 1 146 . 1 1 19 19 LEU HG H 1 1.647 0.000 . 1 . . . . 19 Leu HG . 25172 1 147 . 1 1 19 19 LEU HD11 H 1 0.931 0.000 . 2 . . . . 19 Leu HD11 . 25172 1 148 . 1 1 19 19 LEU HD12 H 1 0.931 0.000 . 2 . . . . 19 Leu HD12 . 25172 1 149 . 1 1 19 19 LEU HD13 H 1 0.931 0.000 . 2 . . . . 19 Leu HD13 . 25172 1 150 . 1 1 19 19 LEU HD21 H 1 0.794 0.000 . 2 . . . . 19 Leu HD21 . 25172 1 151 . 1 1 19 19 LEU HD22 H 1 0.794 0.000 . 2 . . . . 19 Leu HD22 . 25172 1 152 . 1 1 19 19 LEU HD23 H 1 0.794 0.000 . 2 . . . . 19 Leu HD23 . 25172 1 153 . 1 1 19 19 LEU CA C 13 52.595 0.015 . 1 . . . . 19 Leu CA . 25172 1 154 . 1 1 19 19 LEU CB C 13 44.046 0.000 . 1 . . . . 19 Leu CB . 25172 1 155 . 1 1 19 19 LEU CG C 13 27.200 0.000 . 1 . . . . 19 Leu CG . 25172 1 156 . 1 1 19 19 LEU CD1 C 13 24.529 0.000 . 2 . . . . 19 Leu CD1 . 25172 1 157 . 1 1 19 19 LEU CD2 C 13 25.291 0.000 . 2 . . . . 19 Leu CD2 . 25172 1 158 . 1 1 19 19 LEU N N 15 132.736 0.176 . 1 . . . . 19 Leu N . 25172 1 159 . 1 1 20 20 PRO HA H 1 4.657 0.012 . 1 . . . . 20 Pro HA . 25172 1 160 . 1 1 20 20 PRO HB2 H 1 2.289 0.000 . 2 . . . . 20 Pro HB2 . 25172 1 161 . 1 1 20 20 PRO HB3 H 1 2.044 0.000 . 2 . . . . 20 Pro HB3 . 25172 1 162 . 1 1 20 20 PRO HD3 H 1 3.909 0.000 . 1 . . . . 20 Pro HD3 . 25172 1 163 . 1 1 20 20 PRO C C 13 176.463 0.000 . 1 . . . . 20 Pro C . 25172 1 164 . 1 1 20 20 PRO CA C 13 62.956 0.023 . 1 . . . . 20 Pro CA . 25172 1 165 . 1 1 20 20 PRO CB C 13 32.679 0.013 . 1 . . . . 20 Pro CB . 25172 1 166 . 1 1 20 20 PRO CD C 13 50.235 0.000 . 1 . . . . 20 Pro CD . 25172 1 167 . 1 1 21 21 PHE H H 1 8.226 0.005 . 1 . . . . 21 Phe H . 25172 1 168 . 1 1 21 21 PHE HA H 1 4.504 0.000 . 1 . . . . 21 Phe HA . 25172 1 169 . 1 1 21 21 PHE HB2 H 1 2.568 0.000 . 2 . . . . 21 Phe HB2 . 25172 1 170 . 1 1 21 21 PHE HB3 H 1 2.945 0.000 . 2 . . . . 21 Phe HB3 . 25172 1 171 . 1 1 21 21 PHE C C 13 173.592 0.000 . 1 . . . . 21 Phe C . 25172 1 172 . 1 1 21 21 PHE CA C 13 58.417 0.013 . 1 . . . . 21 Phe CA . 25172 1 173 . 1 1 21 21 PHE CB C 13 41.875 0.000 . 1 . . . . 21 Phe CB . 25172 1 174 . 1 1 21 21 PHE N N 15 123.496 0.132 . 1 . . . . 21 Phe N . 25172 1 175 . 1 1 22 22 GLU H H 1 8.914 0.011 . 1 . . . . 22 Glu H . 25172 1 176 . 1 1 22 22 GLU HA H 1 3.493 0.000 . 1 . . . . 22 Glu HA . 25172 1 177 . 1 1 22 22 GLU HB2 H 1 1.826 0.000 . 1 . . . . 22 Glu HB2 . 25172 1 178 . 1 1 22 22 GLU HB3 H 1 1.826 0.000 . 1 . . . . 22 Glu HB3 . 25172 1 179 . 1 1 22 22 GLU HG2 H 1 1.442 0.000 . 2 . . . . 22 Glu HG2 . 25172 1 180 . 1 1 22 22 GLU HG3 H 1 1.649 0.000 . 2 . . . . 22 Glu HG3 . 25172 1 181 . 1 1 22 22 GLU C C 13 175.868 0.000 . 1 . . . . 22 Glu C . 25172 1 182 . 1 1 22 22 GLU CA C 13 58.438 0.008 . 1 . . . . 22 Glu CA . 25172 1 183 . 1 1 22 22 GLU CB C 13 27.095 0.000 . 1 . . . . 22 Glu CB . 25172 1 184 . 1 1 22 22 GLU N N 15 126.242 0.172 . 1 . . . . 22 Glu N . 25172 1 185 . 1 1 23 23 ALA H H 1 8.212 0.006 . 1 . . . . 23 Ala H . 25172 1 186 . 1 1 23 23 ALA HA H 1 4.600 0.014 . 1 . . . . 23 Ala HA . 25172 1 187 . 1 1 23 23 ALA HB1 H 1 1.443 0.011 . 1 . . . . 23 Ala HB1 . 25172 1 188 . 1 1 23 23 ALA HB2 H 1 1.443 0.011 . 1 . . . . 23 Ala HB2 . 25172 1 189 . 1 1 23 23 ALA HB3 H 1 1.443 0.011 . 1 . . . . 23 Ala HB3 . 25172 1 190 . 1 1 23 23 ALA C C 13 177.000 0.000 . 1 . . . . 23 Ala C . 25172 1 191 . 1 1 23 23 ALA CA C 13 52.442 0.018 . 1 . . . . 23 Ala CA . 25172 1 192 . 1 1 23 23 ALA CB C 13 18.937 0.061 . 1 . . . . 23 Ala CB . 25172 1 193 . 1 1 23 23 ALA N N 15 125.087 0.106 . 1 . . . . 23 Ala N . 25172 1 194 . 1 1 24 24 SER H H 1 8.466 0.012 . 1 . . . . 24 Ser H . 25172 1 195 . 1 1 24 24 SER HA H 1 4.670 0.000 . 1 . . . . 24 Ser HA . 25172 1 196 . 1 1 24 24 SER HB2 H 1 3.862 0.000 . 1 . . . . 24 Ser HB2 . 25172 1 197 . 1 1 24 24 SER HB3 H 1 3.862 0.000 . 1 . . . . 24 Ser HB3 . 25172 1 198 . 1 1 24 24 SER C C 13 173.241 0.000 . 1 . . . . 24 Ser C . 25172 1 199 . 1 1 24 24 SER CA C 13 55.884 0.000 . 1 . . . . 24 Ser CA . 25172 1 200 . 1 1 24 24 SER CB C 13 63.727 0.000 . 1 . . . . 24 Ser CB . 25172 1 201 . 1 1 24 24 SER N N 15 116.269 0.111 . 1 . . . . 24 Ser N . 25172 1 202 . 1 1 25 25 TYR H H 1 8.381 0.010 . 1 . . . . 25 Tyr H . 25172 1 203 . 1 1 25 25 TYR HA H 1 5.601 0.000 . 1 . . . . 25 Tyr HA . 25172 1 204 . 1 1 25 25 TYR HB2 H 1 3.172 0.000 . 2 . . . . 25 Tyr HB2 . 25172 1 205 . 1 1 25 25 TYR HB3 H 1 2.590 0.000 . 2 . . . . 25 Tyr HB3 . 25172 1 206 . 1 1 25 25 TYR C C 13 173.617 0.000 . 1 . . . . 25 Tyr C . 25172 1 207 . 1 1 25 25 TYR CA C 13 56.189 0.000 . 1 . . . . 25 Tyr CA . 25172 1 208 . 1 1 25 25 TYR CB C 13 42.880 0.000 . 1 . . . . 25 Tyr CB . 25172 1 209 . 1 1 25 25 TYR N N 15 120.714 0.137 . 1 . . . . 25 Tyr N . 25172 1 210 . 1 1 26 26 ILE H H 1 9.272 0.014 . 1 . . . . 26 Ile H . 25172 1 211 . 1 1 26 26 ILE HA H 1 4.521 0.017 . 1 . . . . 26 Ile HA . 25172 1 212 . 1 1 26 26 ILE HB H 1 1.675 0.011 . 1 . . . . 26 Ile HB . 25172 1 213 . 1 1 26 26 ILE HG12 H 1 0.964 0.000 . 2 . . . . 26 Ile HG12 . 25172 1 214 . 1 1 26 26 ILE HG13 H 1 1.326 0.000 . 2 . . . . 26 Ile HG13 . 25172 1 215 . 1 1 26 26 ILE HG21 H 1 0.721 0.000 . 1 . . . . 26 Ile HG21 . 25172 1 216 . 1 1 26 26 ILE HG22 H 1 0.721 0.000 . 1 . . . . 26 Ile HG22 . 25172 1 217 . 1 1 26 26 ILE HG23 H 1 0.721 0.000 . 1 . . . . 26 Ile HG23 . 25172 1 218 . 1 1 26 26 ILE HD11 H 1 0.588 0.000 . 1 . . . . 26 Ile HD11 . 25172 1 219 . 1 1 26 26 ILE HD12 H 1 0.588 0.000 . 1 . . . . 26 Ile HD12 . 25172 1 220 . 1 1 26 26 ILE HD13 H 1 0.588 0.000 . 1 . . . . 26 Ile HD13 . 25172 1 221 . 1 1 26 26 ILE C C 13 174.519 0.000 . 1 . . . . 26 Ile C . 25172 1 222 . 1 1 26 26 ILE CA C 13 59.837 0.008 . 1 . . . . 26 Ile CA . 25172 1 223 . 1 1 26 26 ILE CB C 13 42.690 0.027 . 1 . . . . 26 Ile CB . 25172 1 224 . 1 1 26 26 ILE CG1 C 13 27.253 0.000 . 1 . . . . 26 Ile CG1 . 25172 1 225 . 1 1 26 26 ILE CG2 C 13 17.927 0.000 . 1 . . . . 26 Ile CG2 . 25172 1 226 . 1 1 26 26 ILE CD1 C 13 13.659 0.000 . 1 . . . . 26 Ile CD1 . 25172 1 227 . 1 1 26 26 ILE N N 15 117.856 0.250 . 1 . . . . 26 Ile N . 25172 1 228 . 1 1 27 27 CYS H H 1 8.699 0.004 . 1 . . . . 27 Cys H . 25172 1 229 . 1 1 27 27 CYS HA H 1 5.587 0.017 . 1 . . . . 27 Cys HA . 25172 1 230 . 1 1 27 27 CYS HB2 H 1 2.580 0.011 . 2 . . . . 27 Cys HB2 . 25172 1 231 . 1 1 27 27 CYS HB3 H 1 2.978 0.011 . 2 . . . . 27 Cys HB3 . 25172 1 232 . 1 1 27 27 CYS C C 13 174.758 0.000 . 1 . . . . 27 Cys C . 25172 1 233 . 1 1 27 27 CYS CA C 13 53.483 0.042 . 1 . . . . 27 Cys CA . 25172 1 234 . 1 1 27 27 CYS CB C 13 43.246 0.056 . 1 . . . . 27 Cys CB . 25172 1 235 . 1 1 27 27 CYS N N 15 119.089 0.100 . 1 . . . . 27 Cys N . 25172 1 236 . 1 1 28 28 HIS H H 1 9.563 0.005 . 1 . . . . 28 His H . 25172 1 237 . 1 1 28 28 HIS HA H 1 5.044 0.010 . 1 . . . . 28 His HA . 25172 1 238 . 1 1 28 28 HIS HB2 H 1 3.331 0.000 . 2 . . . . 28 His HB2 . 25172 1 239 . 1 1 28 28 HIS HB3 H 1 3.123 0.000 . 2 . . . . 28 His HB3 . 25172 1 240 . 1 1 28 28 HIS C C 13 175.509 0.000 . 1 . . . . 28 His C . 25172 1 241 . 1 1 28 28 HIS CA C 13 53.929 0.000 . 1 . . . . 28 His CA . 25172 1 242 . 1 1 28 28 HIS CB C 13 29.767 0.067 . 1 . . . . 28 His CB . 25172 1 243 . 1 1 28 28 HIS N N 15 123.788 0.107 . 1 . . . . 28 His N . 25172 1 244 . 1 1 29 29 CYS H H 1 9.223 0.013 . 1 . . . . 29 Cys H . 25172 1 245 . 1 1 29 29 CYS HA H 1 5.066 0.019 . 1 . . . . 29 Cys HA . 25172 1 246 . 1 1 29 29 CYS HB2 H 1 3.268 0.008 . 2 . . . . 29 Cys HB2 . 25172 1 247 . 1 1 29 29 CYS HB3 H 1 2.734 0.006 . 2 . . . . 29 Cys HB3 . 25172 1 248 . 1 1 29 29 CYS CA C 13 52.611 0.000 . 1 . . . . 29 Cys CA . 25172 1 249 . 1 1 29 29 CYS CB C 13 35.991 0.050 . 1 . . . . 29 Cys CB . 25172 1 250 . 1 1 29 29 CYS N N 15 126.080 0.131 . 1 . . . . 29 Cys N . 25172 1 251 . 1 1 30 30 PRO HB3 H 1 2.204 0.000 . 1 . . . . 30 Pro HB3 . 25172 1 252 . 1 1 30 30 PRO HG2 H 1 1.839 0.000 . 2 . . . . 30 Pro HG2 . 25172 1 253 . 1 1 30 30 PRO HG3 H 1 1.988 0.000 . 2 . . . . 30 Pro HG3 . 25172 1 254 . 1 1 30 30 PRO HD3 H 1 3.221 0.000 . 1 . . . . 30 Pro HD3 . 25172 1 255 . 1 1 31 31 PRO HA H 1 4.463 0.014 . 1 . . . . 31 Pro HA . 25172 1 256 . 1 1 31 31 PRO HB2 H 1 2.399 0.009 . 2 . . . . 31 Pro HB2 . 25172 1 257 . 1 1 31 31 PRO HB3 H 1 1.999 0.022 . 2 . . . . 31 Pro HB3 . 25172 1 258 . 1 1 31 31 PRO C C 13 176.542 0.000 . 1 . . . . 31 Pro C . 25172 1 259 . 1 1 31 31 PRO CA C 13 64.761 0.028 . 1 . . . . 31 Pro CA . 25172 1 260 . 1 1 31 31 PRO CB C 13 31.861 0.075 . 1 . . . . 31 Pro CB . 25172 1 261 . 1 1 32 32 SER H H 1 7.345 0.012 . 1 . . . . 32 Ser H . 25172 1 262 . 1 1 32 32 SER HA H 1 3.967 0.000 . 1 . . . . 32 Ser HA . 25172 1 263 . 1 1 32 32 SER HB2 H 1 3.689 0.000 . 1 . . . . 32 Ser HB2 . 25172 1 264 . 1 1 32 32 SER HB3 H 1 3.689 0.000 . 1 . . . . 32 Ser HB3 . 25172 1 265 . 1 1 32 32 SER C C 13 174.307 0.000 . 1 . . . . 32 Ser C . 25172 1 266 . 1 1 32 32 SER CA C 13 58.022 0.000 . 1 . . . . 32 Ser CA . 25172 1 267 . 1 1 32 32 SER CB C 13 63.696 0.000 . 1 . . . . 32 Ser CB . 25172 1 268 . 1 1 32 32 SER N N 15 108.037 0.073 . 1 . . . . 32 Ser N . 25172 1 269 . 1 1 33 33 PHE H H 1 8.100 0.005 . 1 . . . . 33 Phe H . 25172 1 270 . 1 1 33 33 PHE HA H 1 5.344 0.000 . 1 . . . . 33 Phe HA . 25172 1 271 . 1 1 33 33 PHE HB2 H 1 3.133 0.000 . 2 . . . . 33 Phe HB2 . 25172 1 272 . 1 1 33 33 PHE HB3 H 1 2.331 0.000 . 2 . . . . 33 Phe HB3 . 25172 1 273 . 1 1 33 33 PHE C C 13 173.164 0.000 . 1 . . . . 33 Phe C . 25172 1 274 . 1 1 33 33 PHE CA C 13 58.007 0.000 . 1 . . . . 33 Phe CA . 25172 1 275 . 1 1 33 33 PHE CB C 13 46.296 0.000 . 1 . . . . 33 Phe CB . 25172 1 276 . 1 1 33 33 PHE N N 15 119.082 0.111 . 1 . . . . 33 Phe N . 25172 1 277 . 1 1 34 34 HIS H H 1 9.791 0.013 . 1 . . . . 34 His H . 25172 1 278 . 1 1 34 34 HIS HA H 1 5.086 0.000 . 1 . . . . 34 His HA . 25172 1 279 . 1 1 34 34 HIS HB2 H 1 3.058 0.000 . 2 . . . . 34 His HB2 . 25172 1 280 . 1 1 34 34 HIS HB3 H 1 3.304 0.000 . 2 . . . . 34 His HB3 . 25172 1 281 . 1 1 34 34 HIS C C 13 173.770 0.000 . 1 . . . . 34 His C . 25172 1 282 . 1 1 34 34 HIS CA C 13 54.762 0.000 . 1 . . . . 34 His CA . 25172 1 283 . 1 1 34 34 HIS CB C 13 31.581 0.000 . 1 . . . . 34 His CB . 25172 1 284 . 1 1 34 34 HIS N N 15 115.359 0.099 . 1 . . . . 34 His N . 25172 1 285 . 1 1 35 35 GLY H H 1 8.073 0.008 . 1 . . . . 35 Gly H . 25172 1 286 . 1 1 35 35 GLY HA2 H 1 3.901 0.000 . 2 . . . . 35 Gly HA2 . 25172 1 287 . 1 1 35 35 GLY HA3 H 1 4.817 0.000 . 2 . . . . 35 Gly HA3 . 25172 1 288 . 1 1 35 35 GLY CA C 13 44.146 0.000 . 1 . . . . 35 Gly CA . 25172 1 289 . 1 1 35 35 GLY N N 15 108.063 0.109 . 1 . . . . 35 Gly N . 25172 1 290 . 1 1 36 36 PRO HA H 1 4.423 0.011 . 1 . . . . 36 Pro HA . 25172 1 291 . 1 1 36 36 PRO HB2 H 1 2.470 0.013 . 2 . . . . 36 Pro HB2 . 25172 1 292 . 1 1 36 36 PRO HB3 H 1 2.132 0.015 . 2 . . . . 36 Pro HB3 . 25172 1 293 . 1 1 36 36 PRO HG3 H 1 2.484 0.000 . 1 . . . . 36 Pro HG3 . 25172 1 294 . 1 1 36 36 PRO HD2 H 1 3.744 0.000 . 2 . . . . 36 Pro HD2 . 25172 1 295 . 1 1 36 36 PRO HD3 H 1 3.835 0.000 . 2 . . . . 36 Pro HD3 . 25172 1 296 . 1 1 36 36 PRO C C 13 178.049 0.000 . 1 . . . . 36 Pro C . 25172 1 297 . 1 1 36 36 PRO CA C 13 65.286 0.018 . 1 . . . . 36 Pro CA . 25172 1 298 . 1 1 36 36 PRO CB C 13 32.160 0.044 . 1 . . . . 36 Pro CB . 25172 1 299 . 1 1 36 36 PRO CG C 13 32.853 0.000 . 1 . . . . 36 Pro CG . 25172 1 300 . 1 1 36 36 PRO CD C 13 49.832 0.000 . 1 . . . . 36 Pro CD . 25172 1 301 . 1 1 37 37 THR H H 1 8.321 0.014 . 1 . . . . 37 Thr H . 25172 1 302 . 1 1 37 37 THR HA H 1 5.123 0.018 . 1 . . . . 37 Thr HA . 25172 1 303 . 1 1 37 37 THR HB H 1 5.004 0.000 . 1 . . . . 37 Thr HB . 25172 1 304 . 1 1 37 37 THR HG21 H 1 1.297 0.000 . 1 . . . . 37 Thr HG21 . 25172 1 305 . 1 1 37 37 THR HG22 H 1 1.297 0.000 . 1 . . . . 37 Thr HG22 . 25172 1 306 . 1 1 37 37 THR HG23 H 1 1.297 0.000 . 1 . . . . 37 Thr HG23 . 25172 1 307 . 1 1 37 37 THR C C 13 174.324 0.000 . 1 . . . . 37 Thr C . 25172 1 308 . 1 1 37 37 THR CA C 13 59.633 0.005 . 1 . . . . 37 Thr CA . 25172 1 309 . 1 1 37 37 THR CB C 13 69.239 0.000 . 1 . . . . 37 Thr CB . 25172 1 310 . 1 1 37 37 THR CG2 C 13 22.674 0.000 . 1 . . . . 37 Thr CG2 . 25172 1 311 . 1 1 37 37 THR N N 15 104.356 0.125 . 1 . . . . 37 Thr N . 25172 1 312 . 1 1 38 38 CYS H H 1 7.559 0.002 . 1 . . . . 38 Cys H . 25172 1 313 . 1 1 38 38 CYS HA H 1 4.111 0.000 . 1 . . . . 38 Cys HA . 25172 1 314 . 1 1 38 38 CYS HB2 H 1 3.015 0.000 . 2 . . . . 38 Cys HB2 . 25172 1 315 . 1 1 38 38 CYS HB3 H 1 3.703 0.000 . 2 . . . . 38 Cys HB3 . 25172 1 316 . 1 1 38 38 CYS C C 13 174.541 0.000 . 1 . . . . 38 Cys C . 25172 1 317 . 1 1 38 38 CYS CA C 13 54.402 0.000 . 1 . . . . 38 Cys CA . 25172 1 318 . 1 1 38 38 CYS CB C 13 35.518 0.000 . 1 . . . . 38 Cys CB . 25172 1 319 . 1 1 38 38 CYS N N 15 111.798 0.119 . 1 . . . . 38 Cys N . 25172 1 320 . 1 1 39 39 ARG H H 1 8.511 0.012 . 1 . . . . 39 Arg H . 25172 1 321 . 1 1 39 39 ARG HA H 1 4.003 0.014 . 1 . . . . 39 Arg HA . 25172 1 322 . 1 1 39 39 ARG HB2 H 1 1.916 0.010 . 2 . . . . 39 Arg HB2 . 25172 1 323 . 1 1 39 39 ARG HB3 H 1 1.906 0.000 . 2 . . . . 39 Arg HB3 . 25172 1 324 . 1 1 39 39 ARG HG2 H 1 1.263 0.000 . 1 . . . . 39 Arg HG2 . 25172 1 325 . 1 1 39 39 ARG HG3 H 1 1.263 0.000 . 1 . . . . 39 Arg HG3 . 25172 1 326 . 1 1 39 39 ARG HD2 H 1 3.104 0.000 . 1 . . . . 39 Arg HD2 . 25172 1 327 . 1 1 39 39 ARG HD3 H 1 3.104 0.000 . 1 . . . . 39 Arg HD3 . 25172 1 328 . 1 1 39 39 ARG C C 13 177.231 0.000 . 1 . . . . 39 Arg C . 25172 1 329 . 1 1 39 39 ARG CA C 13 57.256 0.037 . 1 . . . . 39 Arg CA . 25172 1 330 . 1 1 39 39 ARG CB C 13 31.299 0.031 . 1 . . . . 39 Arg CB . 25172 1 331 . 1 1 39 39 ARG CG C 13 29.257 0.000 . 1 . . . . 39 Arg CG . 25172 1 332 . 1 1 39 39 ARG CD C 13 43.392 0.000 . 1 . . . . 39 Arg CD . 25172 1 333 . 1 1 39 39 ARG N N 15 115.314 0.184 . 1 . . . . 39 Arg N . 25172 1 334 . 1 1 40 40 GLN H H 1 8.309 0.008 . 1 . . . . 40 Gln H . 25172 1 335 . 1 1 40 40 GLN HA H 1 4.630 0.000 . 1 . . . . 40 Gln HA . 25172 1 336 . 1 1 40 40 GLN HB2 H 1 1.718 0.000 . 2 . . . . 40 Gln HB2 . 25172 1 337 . 1 1 40 40 GLN HB3 H 1 1.337 0.000 . 2 . . . . 40 Gln HB3 . 25172 1 338 . 1 1 40 40 GLN HG2 H 1 2.266 0.003 . 2 . . . . 40 Gln HG2 . 25172 1 339 . 1 1 40 40 GLN HG3 H 1 2.338 0.000 . 2 . . . . 40 Gln HG3 . 25172 1 340 . 1 1 40 40 GLN C C 13 175.257 0.000 . 1 . . . . 40 Gln C . 25172 1 341 . 1 1 40 40 GLN CA C 13 55.231 0.089 . 1 . . . . 40 Gln CA . 25172 1 342 . 1 1 40 40 GLN CB C 13 29.500 0.000 . 1 . . . . 40 Gln CB . 25172 1 343 . 1 1 40 40 GLN CG C 13 34.555 0.046 . 1 . . . . 40 Gln CG . 25172 1 344 . 1 1 40 40 GLN N N 15 118.699 0.104 . 1 . . . . 40 Gln N . 25172 1 345 . 1 1 41 41 ASP H H 1 9.063 0.006 . 1 . . . . 41 Asp H . 25172 1 346 . 1 1 41 41 ASP HA H 1 4.450 0.000 . 1 . . . . 41 Asp HA . 25172 1 347 . 1 1 41 41 ASP HB2 H 1 2.696 0.025 . 2 . . . . 41 Asp HB2 . 25172 1 348 . 1 1 41 41 ASP HB3 H 1 2.454 0.025 . 2 . . . . 41 Asp HB3 . 25172 1 349 . 1 1 41 41 ASP C C 13 176.570 0.000 . 1 . . . . 41 Asp C . 25172 1 350 . 1 1 41 41 ASP CA C 13 55.616 0.000 . 1 . . . . 41 Asp CA . 25172 1 351 . 1 1 41 41 ASP CB C 13 43.527 0.043 . 1 . . . . 41 Asp CB . 25172 1 352 . 1 1 41 41 ASP N N 15 125.221 0.116 . 1 . . . . 41 Asp N . 25172 1 353 . 1 1 42 42 VAL H H 1 7.547 0.012 . 1 . . . . 42 Val H . 25172 1 354 . 1 1 42 42 VAL HA H 1 3.697 0.007 . 1 . . . . 42 Val HA . 25172 1 355 . 1 1 42 42 VAL HB H 1 1.515 0.023 . 1 . . . . 42 Val HB . 25172 1 356 . 1 1 42 42 VAL HG11 H 1 0.552 0.023 . 2 . . . . 42 Val HG11 . 25172 1 357 . 1 1 42 42 VAL HG12 H 1 0.552 0.023 . 2 . . . . 42 Val HG12 . 25172 1 358 . 1 1 42 42 VAL HG13 H 1 0.552 0.023 . 2 . . . . 42 Val HG13 . 25172 1 359 . 1 1 42 42 VAL HG21 H 1 0.521 0.000 . 2 . . . . 42 Val HG21 . 25172 1 360 . 1 1 42 42 VAL HG22 H 1 0.521 0.000 . 2 . . . . 42 Val HG22 . 25172 1 361 . 1 1 42 42 VAL HG23 H 1 0.521 0.000 . 2 . . . . 42 Val HG23 . 25172 1 362 . 1 1 42 42 VAL CA C 13 62.369 0.019 . 1 . . . . 42 Val CA . 25172 1 363 . 1 1 42 42 VAL CB C 13 33.386 0.000 . 1 . . . . 42 Val CB . 25172 1 364 . 1 1 42 42 VAL CG1 C 13 20.082 0.000 . 2 . . . . 42 Val CG1 . 25172 1 365 . 1 1 42 42 VAL CG2 C 13 23.607 0.000 . 2 . . . . 42 Val CG2 . 25172 1 366 . 1 1 42 42 VAL N N 15 126.955 0.197 . 1 . . . . 42 Val N . 25172 1 367 . 1 1 45 45 CYS HA H 1 4.196 0.014 . 1 . . . . 45 Cys HA . 25172 1 368 . 1 1 45 45 CYS HB2 H 1 3.171 0.000 . 2 . . . . 45 Cys HB2 . 25172 1 369 . 1 1 45 45 CYS HB3 H 1 2.998 0.000 . 2 . . . . 45 Cys HB3 . 25172 1 370 . 1 1 45 45 CYS C C 13 176.989 0.000 . 1 . . . . 45 Cys C . 25172 1 371 . 1 1 45 45 CYS CA C 13 54.160 0.042 . 1 . . . . 45 Cys CA . 25172 1 372 . 1 1 45 45 CYS CB C 13 35.892 0.000 . 1 . . . . 45 Cys CB . 25172 1 373 . 1 1 46 46 GLY H H 1 7.112 0.019 . 1 . . . . 46 Gly H . 25172 1 374 . 1 1 46 46 GLY HA2 H 1 3.935 0.000 . 2 . . . . 46 Gly HA2 . 25172 1 375 . 1 1 46 46 GLY HA3 H 1 3.623 0.019 . 2 . . . . 46 Gly HA3 . 25172 1 376 . 1 1 46 46 GLY C C 13 174.802 0.000 . 1 . . . . 46 Gly C . 25172 1 377 . 1 1 46 46 GLY CA C 13 45.662 0.033 . 1 . . . . 46 Gly CA . 25172 1 378 . 1 1 46 46 GLY N N 15 104.826 0.151 . 1 . . . . 46 Gly N . 25172 1 379 . 1 1 47 47 GLN H H 1 7.469 0.007 . 1 . . . . 47 Gln H . 25172 1 380 . 1 1 47 47 GLN HA H 1 4.091 0.000 . 1 . . . . 47 Gln HA . 25172 1 381 . 1 1 47 47 GLN HB2 H 1 1.966 0.000 . 2 . . . . 47 Gln HB2 . 25172 1 382 . 1 1 47 47 GLN HB3 H 1 1.833 0.000 . 2 . . . . 47 Gln HB3 . 25172 1 383 . 1 1 47 47 GLN HG2 H 1 2.251 0.000 . 1 . . . . 47 Gln HG2 . 25172 1 384 . 1 1 47 47 GLN HG3 H 1 2.251 0.000 . 1 . . . . 47 Gln HG3 . 25172 1 385 . 1 1 47 47 GLN HE21 H 1 7.357 0.000 . 1 . . . . 47 Gln HE21 . 25172 1 386 . 1 1 47 47 GLN HE22 H 1 6.754 0.000 . 1 . . . . 47 Gln HE22 . 25172 1 387 . 1 1 47 47 GLN C C 13 176.144 0.000 . 1 . . . . 47 Gln C . 25172 1 388 . 1 1 47 47 GLN CA C 13 57.109 0.004 . 1 . . . . 47 Gln CA . 25172 1 389 . 1 1 47 47 GLN CB C 13 30.316 0.000 . 1 . . . . 47 Gln CB . 25172 1 390 . 1 1 47 47 GLN N N 15 118.385 0.083 . 1 . . . . 47 Gln N . 25172 1 391 . 1 1 47 47 GLN NE2 N 15 111.894 0.000 . 1 . . . . 47 Gln NE2 . 25172 1 392 . 1 1 48 48 LYS H H 1 7.270 0.008 . 1 . . . . 48 Lys H . 25172 1 393 . 1 1 48 48 LYS HA H 1 4.653 0.002 . 1 . . . . 48 Lys HA . 25172 1 394 . 1 1 48 48 LYS HB2 H 1 1.662 0.000 . 1 . . . . 48 Lys HB2 . 25172 1 395 . 1 1 48 48 LYS HB3 H 1 1.662 0.000 . 1 . . . . 48 Lys HB3 . 25172 1 396 . 1 1 48 48 LYS HG2 H 1 1.196 0.018 . 2 . . . . 48 Lys HG2 . 25172 1 397 . 1 1 48 48 LYS HG3 H 1 1.215 0.000 . 2 . . . . 48 Lys HG3 . 25172 1 398 . 1 1 48 48 LYS HD2 H 1 1.559 0.000 . 1 . . . . 48 Lys HD2 . 25172 1 399 . 1 1 48 48 LYS HD3 H 1 1.559 0.000 . 1 . . . . 48 Lys HD3 . 25172 1 400 . 1 1 48 48 LYS HE3 H 1 2.872 0.000 . 1 . . . . 48 Lys HE3 . 25172 1 401 . 1 1 48 48 LYS CA C 13 53.045 0.000 . 1 . . . . 48 Lys CA . 25172 1 402 . 1 1 48 48 LYS CB C 13 33.626 0.000 . 1 . . . . 48 Lys CB . 25172 1 403 . 1 1 48 48 LYS CG C 13 24.525 0.000 . 1 . . . . 48 Lys CG . 25172 1 404 . 1 1 48 48 LYS CD C 13 29.435 0.000 . 1 . . . . 48 Lys CD . 25172 1 405 . 1 1 48 48 LYS N N 15 117.821 0.155 . 1 . . . . 48 Lys N . 25172 1 406 . 1 1 49 49 PRO HA H 1 4.417 0.016 . 1 . . . . 49 Pro HA . 25172 1 407 . 1 1 49 49 PRO HB2 H 1 2.284 0.011 . 2 . . . . 49 Pro HB2 . 25172 1 408 . 1 1 49 49 PRO HB3 H 1 1.824 0.000 . 2 . . . . 49 Pro HB3 . 25172 1 409 . 1 1 49 49 PRO C C 13 178.391 0.000 . 1 . . . . 49 Pro C . 25172 1 410 . 1 1 49 49 PRO CA C 13 63.548 0.015 . 1 . . . . 49 Pro CA . 25172 1 411 . 1 1 49 49 PRO CB C 13 31.765 0.087 . 1 . . . . 49 Pro CB . 25172 1 412 . 1 1 50 50 GLY H H 1 8.622 0.008 . 1 . . . . 50 Gly H . 25172 1 413 . 1 1 50 50 GLY HA3 H 1 3.764 0.013 . 1 . . . . 50 Gly HA3 . 25172 1 414 . 1 1 50 50 GLY C C 13 174.590 0.000 . 1 . . . . 50 Gly C . 25172 1 415 . 1 1 50 50 GLY CA C 13 45.768 0.021 . 1 . . . . 50 Gly CA . 25172 1 416 . 1 1 50 50 GLY N N 15 110.610 0.120 . 1 . . . . 50 Gly N . 25172 1 417 . 1 1 51 51 LEU H H 1 7.270 0.006 . 1 . . . . 51 Leu H . 25172 1 418 . 1 1 51 51 LEU HA H 1 3.764 0.013 . 1 . . . . 51 Leu HA . 25172 1 419 . 1 1 51 51 LEU HB2 H 1 1.712 0.022 . 2 . . . . 51 Leu HB2 . 25172 1 420 . 1 1 51 51 LEU HB3 H 1 1.465 0.017 . 2 . . . . 51 Leu HB3 . 25172 1 421 . 1 1 51 51 LEU HD11 H 1 0.521 0.000 . 2 . . . . 51 Leu HD11 . 25172 1 422 . 1 1 51 51 LEU HD12 H 1 0.521 0.000 . 2 . . . . 51 Leu HD12 . 25172 1 423 . 1 1 51 51 LEU HD13 H 1 0.521 0.000 . 2 . . . . 51 Leu HD13 . 25172 1 424 . 1 1 51 51 LEU HD21 H 1 0.118 0.000 . 2 . . . . 51 Leu HD21 . 25172 1 425 . 1 1 51 51 LEU HD22 H 1 0.118 0.000 . 2 . . . . 51 Leu HD22 . 25172 1 426 . 1 1 51 51 LEU HD23 H 1 0.118 0.000 . 2 . . . . 51 Leu HD23 . 25172 1 427 . 1 1 51 51 LEU C C 13 177.491 0.000 . 1 . . . . 51 Leu C . 25172 1 428 . 1 1 51 51 LEU CA C 13 57.872 0.000 . 1 . . . . 51 Leu CA . 25172 1 429 . 1 1 51 51 LEU CB C 13 42.902 0.107 . 1 . . . . 51 Leu CB . 25172 1 430 . 1 1 51 51 LEU CD1 C 13 23.607 0.000 . 2 . . . . 51 Leu CD1 . 25172 1 431 . 1 1 51 51 LEU CD2 C 13 25.123 0.000 . 2 . . . . 51 Leu CD2 . 25172 1 432 . 1 1 51 51 LEU N N 15 121.354 0.141 . 1 . . . . 51 Leu N . 25172 1 433 . 1 1 52 52 CYS H H 1 8.589 0.016 . 1 . . . . 52 Cys H . 25172 1 434 . 1 1 52 52 CYS HB2 H 1 2.520 0.000 . 2 . . . . 52 Cys HB2 . 25172 1 435 . 1 1 52 52 CYS HB3 H 1 2.386 0.000 . 2 . . . . 52 Cys HB3 . 25172 1 436 . 1 1 52 52 CYS C C 13 173.398 0.000 . 1 . . . . 52 Cys C . 25172 1 437 . 1 1 52 52 CYS CA C 13 51.979 0.000 . 1 . . . . 52 Cys CA . 25172 1 438 . 1 1 52 52 CYS CB C 13 36.021 0.000 . 1 . . . . 52 Cys CB . 25172 1 439 . 1 1 52 52 CYS N N 15 115.583 0.119 . 1 . . . . 52 Cys N . 25172 1 440 . 1 1 53 53 ARG H H 1 7.852 0.019 . 1 . . . . 53 Arg H . 25172 1 441 . 1 1 53 53 ARG HA H 1 3.891 0.011 . 1 . . . . 53 Arg HA . 25172 1 442 . 1 1 53 53 ARG HB2 H 1 1.611 0.000 . 2 . . . . 53 Arg HB2 . 25172 1 443 . 1 1 53 53 ARG HB3 H 1 1.765 0.000 . 2 . . . . 53 Arg HB3 . 25172 1 444 . 1 1 53 53 ARG C C 13 175.612 0.044 . 1 . . . . 53 Arg C . 25172 1 445 . 1 1 53 53 ARG CA C 13 56.129 0.005 . 1 . . . . 53 Arg CA . 25172 1 446 . 1 1 53 53 ARG CB C 13 31.460 0.000 . 1 . . . . 53 Arg CB . 25172 1 447 . 1 1 53 53 ARG N N 15 121.544 0.145 . 1 . . . . 53 Arg N . 25172 1 448 . 1 1 54 54 HIS H H 1 8.637 0.016 . 1 . . . . 54 His H . 25172 1 449 . 1 1 54 54 HIS HA H 1 4.055 0.000 . 1 . . . . 54 His HA . 25172 1 450 . 1 1 54 54 HIS HB3 H 1 2.561 0.000 . 1 . . . . 54 His HB3 . 25172 1 451 . 1 1 54 54 HIS C C 13 176.891 0.000 . 1 . . . . 54 His C . 25172 1 452 . 1 1 54 54 HIS CA C 13 56.747 0.000 . 1 . . . . 54 His CA . 25172 1 453 . 1 1 54 54 HIS CB C 13 26.441 0.000 . 1 . . . . 54 His CB . 25172 1 454 . 1 1 54 54 HIS N N 15 113.751 0.080 . 1 . . . . 54 His N . 25172 1 455 . 1 1 55 55 GLY H H 1 8.858 0.006 . 1 . . . . 55 Gly H . 25172 1 456 . 1 1 55 55 GLY HA2 H 1 3.767 0.006 . 2 . . . . 55 Gly HA2 . 25172 1 457 . 1 1 55 55 GLY HA3 H 1 4.000 0.001 . 2 . . . . 55 Gly HA3 . 25172 1 458 . 1 1 55 55 GLY C C 13 175.530 0.000 . 1 . . . . 55 Gly C . 25172 1 459 . 1 1 55 55 GLY CA C 13 45.847 0.000 . 1 . . . . 55 Gly CA . 25172 1 460 . 1 1 55 55 GLY N N 15 107.171 0.168 . 1 . . . . 55 Gly N . 25172 1 461 . 1 1 56 56 GLY H H 1 7.207 0.011 . 1 . . . . 56 Gly H . 25172 1 462 . 1 1 56 56 GLY HA2 H 1 3.400 0.000 . 2 . . . . 56 Gly HA2 . 25172 1 463 . 1 1 56 56 GLY HA3 H 1 4.393 0.000 . 2 . . . . 56 Gly HA3 . 25172 1 464 . 1 1 56 56 GLY C C 13 171.560 0.000 . 1 . . . . 56 Gly C . 25172 1 465 . 1 1 56 56 GLY CA C 13 45.581 0.000 . 1 . . . . 56 Gly CA . 25172 1 466 . 1 1 56 56 GLY N N 15 106.860 0.165 . 1 . . . . 56 Gly N . 25172 1 467 . 1 1 57 57 THR H H 1 8.773 0.009 . 1 . . . . 57 Thr H . 25172 1 468 . 1 1 57 57 THR HA H 1 4.452 0.000 . 1 . . . . 57 Thr HA . 25172 1 469 . 1 1 57 57 THR HB H 1 4.004 0.000 . 1 . . . . 57 Thr HB . 25172 1 470 . 1 1 57 57 THR HG21 H 1 1.073 0.000 . 1 . . . . 57 Thr HG21 . 25172 1 471 . 1 1 57 57 THR HG22 H 1 1.073 0.000 . 1 . . . . 57 Thr HG22 . 25172 1 472 . 1 1 57 57 THR HG23 H 1 1.073 0.000 . 1 . . . . 57 Thr HG23 . 25172 1 473 . 1 1 57 57 THR C C 13 172.332 0.000 . 1 . . . . 57 Thr C . 25172 1 474 . 1 1 57 57 THR CA C 13 62.011 0.000 . 1 . . . . 57 Thr CA . 25172 1 475 . 1 1 57 57 THR CB C 13 71.072 0.000 . 1 . . . . 57 Thr CB . 25172 1 476 . 1 1 57 57 THR N N 15 116.316 0.124 . 1 . . . . 57 Thr N . 25172 1 477 . 1 1 58 58 CYS H H 1 8.974 0.009 . 1 . . . . 58 Cys H . 25172 1 478 . 1 1 58 58 CYS HA H 1 5.139 0.002 . 1 . . . . 58 Cys HA . 25172 1 479 . 1 1 58 58 CYS HB2 H 1 3.020 0.000 . 2 . . . . 58 Cys HB2 . 25172 1 480 . 1 1 58 58 CYS HB3 H 1 3.043 0.000 . 2 . . . . 58 Cys HB3 . 25172 1 481 . 1 1 58 58 CYS C C 13 173.996 0.000 . 1 . . . . 58 Cys C . 25172 1 482 . 1 1 58 58 CYS CA C 13 57.796 0.037 . 1 . . . . 58 Cys CA . 25172 1 483 . 1 1 58 58 CYS CB C 13 38.056 0.034 . 1 . . . . 58 Cys CB . 25172 1 484 . 1 1 58 58 CYS N N 15 129.000 0.111 . 1 . . . . 58 Cys N . 25172 1 485 . 1 1 59 59 HIS H H 1 9.738 0.008 . 1 . . . . 59 His H . 25172 1 486 . 1 1 59 59 HIS HA H 1 4.865 0.000 . 1 . . . . 59 His HA . 25172 1 487 . 1 1 59 59 HIS HB2 H 1 3.126 0.000 . 2 . . . . 59 His HB2 . 25172 1 488 . 1 1 59 59 HIS HB3 H 1 3.000 0.000 . 2 . . . . 59 His HB3 . 25172 1 489 . 1 1 59 59 HIS C C 13 174.009 0.000 . 1 . . . . 59 His C . 25172 1 490 . 1 1 59 59 HIS CA C 13 55.099 0.000 . 1 . . . . 59 His CA . 25172 1 491 . 1 1 59 59 HIS CB C 13 31.545 0.000 . 1 . . . . 59 His CB . 25172 1 492 . 1 1 59 59 HIS N N 15 129.368 0.145 . 1 . . . . 59 His N . 25172 1 493 . 1 1 60 60 ASN H H 1 9.290 0.007 . 1 . . . . 60 Asn H . 25172 1 494 . 1 1 60 60 ASN HA H 1 4.834 0.000 . 1 . . . . 60 Asn HA . 25172 1 495 . 1 1 60 60 ASN HB2 H 1 2.658 0.000 . 2 . . . . 60 Asn HB2 . 25172 1 496 . 1 1 60 60 ASN HB3 H 1 2.834 0.000 . 2 . . . . 60 Asn HB3 . 25172 1 497 . 1 1 60 60 ASN C C 13 174.308 0.000 . 1 . . . . 60 Asn C . 25172 1 498 . 1 1 60 60 ASN CA C 13 54.258 0.000 . 1 . . . . 60 Asn CA . 25172 1 499 . 1 1 60 60 ASN CB C 13 39.467 0.000 . 1 . . . . 60 Asn CB . 25172 1 500 . 1 1 60 60 ASN N N 15 125.372 0.120 . 1 . . . . 60 Asn N . 25172 1 501 . 1 1 61 61 GLU H H 1 7.750 0.006 . 1 . . . . 61 Glu H . 25172 1 502 . 1 1 61 61 GLU HA H 1 4.813 0.000 . 1 . . . . 61 Glu HA . 25172 1 503 . 1 1 61 61 GLU HB2 H 1 1.268 0.015 . 2 . . . . 61 Glu HB2 . 25172 1 504 . 1 1 61 61 GLU HB3 H 1 1.252 0.000 . 2 . . . . 61 Glu HB3 . 25172 1 505 . 1 1 61 61 GLU HG2 H 1 2.083 0.000 . 2 . . . . 61 Glu HG2 . 25172 1 506 . 1 1 61 61 GLU HG3 H 1 2.005 0.000 . 2 . . . . 61 Glu HG3 . 25172 1 507 . 1 1 61 61 GLU C C 13 175.661 0.000 . 1 . . . . 61 Glu C . 25172 1 508 . 1 1 61 61 GLU CA C 13 53.854 0.000 . 1 . . . . 61 Glu CA . 25172 1 509 . 1 1 61 61 GLU CB C 13 34.156 0.025 . 1 . . . . 61 Glu CB . 25172 1 510 . 1 1 61 61 GLU CG C 13 34.578 0.000 . 1 . . . . 61 Glu CG . 25172 1 511 . 1 1 61 61 GLU N N 15 122.936 0.138 . 1 . . . . 61 Glu N . 25172 1 512 . 1 1 62 62 VAL H H 1 9.423 0.013 . 1 . . . . 62 Val H . 25172 1 513 . 1 1 62 62 VAL HA H 1 3.615 0.007 . 1 . . . . 62 Val HA . 25172 1 514 . 1 1 62 62 VAL HB H 1 1.964 0.000 . 1 . . . . 62 Val HB . 25172 1 515 . 1 1 62 62 VAL HG11 H 1 1.099 0.010 . 2 . . . . 62 Val HG11 . 25172 1 516 . 1 1 62 62 VAL HG12 H 1 1.099 0.010 . 2 . . . . 62 Val HG12 . 25172 1 517 . 1 1 62 62 VAL HG13 H 1 1.099 0.010 . 2 . . . . 62 Val HG13 . 25172 1 518 . 1 1 62 62 VAL HG21 H 1 1.140 0.000 . 2 . . . . 62 Val HG21 . 25172 1 519 . 1 1 62 62 VAL HG22 H 1 1.140 0.000 . 2 . . . . 62 Val HG22 . 25172 1 520 . 1 1 62 62 VAL HG23 H 1 1.140 0.000 . 2 . . . . 62 Val HG23 . 25172 1 521 . 1 1 62 62 VAL C C 13 176.958 0.000 . 1 . . . . 62 Val C . 25172 1 522 . 1 1 62 62 VAL CA C 13 65.189 0.014 . 1 . . . . 62 Val CA . 25172 1 523 . 1 1 62 62 VAL CB C 13 30.300 0.000 . 1 . . . . 62 Val CB . 25172 1 524 . 1 1 62 62 VAL CG1 C 13 21.767 0.050 . 2 . . . . 62 Val CG1 . 25172 1 525 . 1 1 62 62 VAL CG2 C 13 21.532 0.000 . 2 . . . . 62 Val CG2 . 25172 1 526 . 1 1 62 62 VAL N N 15 126.782 0.169 . 1 . . . . 62 Val N . 25172 1 527 . 1 1 63 63 GLY H H 1 9.121 0.010 . 1 . . . . 63 Gly H . 25172 1 528 . 1 1 63 63 GLY HA2 H 1 4.259 0.000 . 2 . . . . 63 Gly HA2 . 25172 1 529 . 1 1 63 63 GLY HA3 H 1 3.030 0.000 . 2 . . . . 63 Gly HA3 . 25172 1 530 . 1 1 63 63 GLY C C 13 173.502 0.000 . 1 . . . . 63 Gly C . 25172 1 531 . 1 1 63 63 GLY CA C 13 47.215 0.000 . 1 . . . . 63 Gly CA . 25172 1 532 . 1 1 63 63 GLY N N 15 120.351 0.150 . 1 . . . . 63 Gly N . 25172 1 533 . 1 1 64 64 SER H H 1 6.746 0.016 . 1 . . . . 64 Ser H . 25172 1 534 . 1 1 64 64 SER HA H 1 4.447 0.000 . 1 . . . . 64 Ser HA . 25172 1 535 . 1 1 64 64 SER HB2 H 1 3.967 0.000 . 2 . . . . 64 Ser HB2 . 25172 1 536 . 1 1 64 64 SER HB3 H 1 3.612 0.000 . 2 . . . . 64 Ser HB3 . 25172 1 537 . 1 1 64 64 SER C C 13 173.224 0.000 . 1 . . . . 64 Ser C . 25172 1 538 . 1 1 64 64 SER CA C 13 56.784 0.000 . 1 . . . . 64 Ser CA . 25172 1 539 . 1 1 64 64 SER CB C 13 63.332 0.000 . 1 . . . . 64 Ser CB . 25172 1 540 . 1 1 64 64 SER N N 15 110.331 0.071 . 1 . . . . 64 Ser N . 25172 1 541 . 1 1 65 65 TYR H H 1 8.851 0.016 . 1 . . . . 65 Tyr H . 25172 1 542 . 1 1 65 65 TYR HA H 1 4.900 0.000 . 1 . . . . 65 Tyr HA . 25172 1 543 . 1 1 65 65 TYR HB2 H 1 3.452 0.000 . 2 . . . . 65 Tyr HB2 . 25172 1 544 . 1 1 65 65 TYR HB3 H 1 2.928 0.000 . 2 . . . . 65 Tyr HB3 . 25172 1 545 . 1 1 65 65 TYR C C 13 171.758 0.000 . 1 . . . . 65 Tyr C . 25172 1 546 . 1 1 65 65 TYR CA C 13 57.442 0.000 . 1 . . . . 65 Tyr CA . 25172 1 547 . 1 1 65 65 TYR CB C 13 33.180 0.000 . 1 . . . . 65 Tyr CB . 25172 1 548 . 1 1 65 65 TYR N N 15 118.345 0.148 . 1 . . . . 65 Tyr N . 25172 1 549 . 1 1 66 66 ARG H H 1 9.409 0.011 . 1 . . . . 66 Arg H . 25172 1 550 . 1 1 66 66 ARG HA H 1 4.665 0.000 . 1 . . . . 66 Arg HA . 25172 1 551 . 1 1 66 66 ARG HB2 H 1 1.772 0.021 . 2 . . . . 66 Arg HB2 . 25172 1 552 . 1 1 66 66 ARG HB3 H 1 1.793 0.000 . 2 . . . . 66 Arg HB3 . 25172 1 553 . 1 1 66 66 ARG HG2 H 1 1.455 0.000 . 1 . . . . 66 Arg HG2 . 25172 1 554 . 1 1 66 66 ARG HG3 H 1 1.455 0.000 . 1 . . . . 66 Arg HG3 . 25172 1 555 . 1 1 66 66 ARG HD3 H 1 3.092 0.000 . 1 . . . . 66 Arg HD3 . 25172 1 556 . 1 1 66 66 ARG C C 13 174.610 0.000 . 1 . . . . 66 Arg C . 25172 1 557 . 1 1 66 66 ARG CA C 13 54.844 0.008 . 1 . . . . 66 Arg CA . 25172 1 558 . 1 1 66 66 ARG CB C 13 34.102 0.074 . 1 . . . . 66 Arg CB . 25172 1 559 . 1 1 66 66 ARG CG C 13 27.524 0.000 . 1 . . . . 66 Arg CG . 25172 1 560 . 1 1 66 66 ARG N N 15 118.877 0.127 . 1 . . . . 66 Arg N . 25172 1 561 . 1 1 67 67 CYS H H 1 9.017 0.008 . 1 . . . . 67 Cys H . 25172 1 562 . 1 1 67 67 CYS HA H 1 5.623 0.006 . 1 . . . . 67 Cys HA . 25172 1 563 . 1 1 67 67 CYS HB2 H 1 2.689 0.000 . 2 . . . . 67 Cys HB2 . 25172 1 564 . 1 1 67 67 CYS HB3 H 1 2.941 0.013 . 2 . . . . 67 Cys HB3 . 25172 1 565 . 1 1 67 67 CYS C C 13 175.112 0.000 . 1 . . . . 67 Cys C . 25172 1 566 . 1 1 67 67 CYS CA C 13 52.990 0.000 . 1 . . . . 67 Cys CA . 25172 1 567 . 1 1 67 67 CYS CB C 13 40.952 0.061 . 1 . . . . 67 Cys CB . 25172 1 568 . 1 1 67 67 CYS N N 15 119.544 0.098 . 1 . . . . 67 Cys N . 25172 1 569 . 1 1 68 68 VAL H H 1 9.347 0.014 . 1 . . . . 68 Val H . 25172 1 570 . 1 1 68 68 VAL HA H 1 4.265 0.013 . 1 . . . . 68 Val HA . 25172 1 571 . 1 1 68 68 VAL HB H 1 2.127 0.007 . 1 . . . . 68 Val HB . 25172 1 572 . 1 1 68 68 VAL HG11 H 1 0.951 0.010 . 2 . . . . 68 Val HG11 . 25172 1 573 . 1 1 68 68 VAL HG12 H 1 0.951 0.010 . 2 . . . . 68 Val HG12 . 25172 1 574 . 1 1 68 68 VAL HG13 H 1 0.951 0.010 . 2 . . . . 68 Val HG13 . 25172 1 575 . 1 1 68 68 VAL HG21 H 1 0.884 0.001 . 2 . . . . 68 Val HG21 . 25172 1 576 . 1 1 68 68 VAL HG22 H 1 0.884 0.001 . 2 . . . . 68 Val HG22 . 25172 1 577 . 1 1 68 68 VAL HG23 H 1 0.884 0.001 . 2 . . . . 68 Val HG23 . 25172 1 578 . 1 1 68 68 VAL C C 13 176.480 0.000 . 1 . . . . 68 Val C . 25172 1 579 . 1 1 68 68 VAL CA C 13 62.359 0.021 . 1 . . . . 68 Val CA . 25172 1 580 . 1 1 68 68 VAL CB C 13 32.050 0.006 . 1 . . . . 68 Val CB . 25172 1 581 . 1 1 68 68 VAL CG1 C 13 21.432 0.000 . 2 . . . . 68 Val CG1 . 25172 1 582 . 1 1 68 68 VAL CG2 C 13 20.999 0.000 . 2 . . . . 68 Val CG2 . 25172 1 583 . 1 1 68 68 VAL N N 15 125.906 0.128 . 1 . . . . 68 Val N . 25172 1 584 . 1 1 69 69 CYS H H 1 9.064 0.009 . 1 . . . . 69 Cys H . 25172 1 585 . 1 1 69 69 CYS HA H 1 4.815 0.000 . 1 . . . . 69 Cys HA . 25172 1 586 . 1 1 69 69 CYS HB2 H 1 2.763 0.000 . 2 . . . . 69 Cys HB2 . 25172 1 587 . 1 1 69 69 CYS HB3 H 1 3.409 0.000 . 2 . . . . 69 Cys HB3 . 25172 1 588 . 1 1 69 69 CYS C C 13 176.892 0.000 . 1 . . . . 69 Cys C . 25172 1 589 . 1 1 69 69 CYS CA C 13 53.988 0.000 . 1 . . . . 69 Cys CA . 25172 1 590 . 1 1 69 69 CYS CB C 13 38.894 0.000 . 1 . . . . 69 Cys CB . 25172 1 591 . 1 1 69 69 CYS N N 15 127.175 0.113 . 1 . . . . 69 Cys N . 25172 1 592 . 1 1 70 70 ARG H H 1 8.648 0.011 . 1 . . . . 70 Arg H . 25172 1 593 . 1 1 70 70 ARG HA H 1 4.419 0.000 . 1 . . . . 70 Arg HA . 25172 1 594 . 1 1 70 70 ARG HB3 H 1 1.919 0.000 . 1 . . . . 70 Arg HB3 . 25172 1 595 . 1 1 70 70 ARG C C 13 176.917 0.000 . 1 . . . . 70 Arg C . 25172 1 596 . 1 1 70 70 ARG CA C 13 56.929 0.000 . 1 . . . . 70 Arg CA . 25172 1 597 . 1 1 70 70 ARG CB C 13 31.545 0.098 . 1 . . . . 70 Arg CB . 25172 1 598 . 1 1 70 70 ARG N N 15 120.737 0.093 . 1 . . . . 70 Arg N . 25172 1 599 . 1 1 71 71 ALA H H 1 8.570 0.008 . 1 . . . . 71 Ala H . 25172 1 600 . 1 1 71 71 ALA HA H 1 4.021 0.000 . 1 . . . . 71 Ala HA . 25172 1 601 . 1 1 71 71 ALA HB1 H 1 1.409 0.015 . 1 . . . . 71 Ala HB1 . 25172 1 602 . 1 1 71 71 ALA HB2 H 1 1.409 0.015 . 1 . . . . 71 Ala HB2 . 25172 1 603 . 1 1 71 71 ALA HB3 H 1 1.409 0.015 . 1 . . . . 71 Ala HB3 . 25172 1 604 . 1 1 71 71 ALA C C 13 177.042 0.000 . 1 . . . . 71 Ala C . 25172 1 605 . 1 1 71 71 ALA CA C 13 54.579 0.055 . 1 . . . . 71 Ala CA . 25172 1 606 . 1 1 71 71 ALA CB C 13 19.276 0.050 . 1 . . . . 71 Ala CB . 25172 1 607 . 1 1 71 71 ALA N N 15 120.773 0.157 . 1 . . . . 71 Ala N . 25172 1 608 . 1 1 72 72 THR H H 1 7.070 0.015 . 1 . . . . 72 Thr H . 25172 1 609 . 1 1 72 72 THR HA H 1 3.993 0.009 . 1 . . . . 72 Thr HA . 25172 1 610 . 1 1 72 72 THR HB H 1 4.287 0.004 . 1 . . . . 72 Thr HB . 25172 1 611 . 1 1 72 72 THR HG21 H 1 1.223 0.011 . 1 . . . . 72 Thr HG21 . 25172 1 612 . 1 1 72 72 THR HG22 H 1 1.223 0.011 . 1 . . . . 72 Thr HG22 . 25172 1 613 . 1 1 72 72 THR HG23 H 1 1.223 0.011 . 1 . . . . 72 Thr HG23 . 25172 1 614 . 1 1 72 72 THR C C 13 175.401 0.000 . 1 . . . . 72 Thr C . 25172 1 615 . 1 1 72 72 THR CA C 13 62.338 0.078 . 1 . . . . 72 Thr CA . 25172 1 616 . 1 1 72 72 THR CB C 13 69.279 0.030 . 1 . . . . 72 Thr CB . 25172 1 617 . 1 1 72 72 THR CG2 C 13 21.893 0.000 . 1 . . . . 72 Thr CG2 . 25172 1 618 . 1 1 72 72 THR N N 15 101.634 0.112 . 1 . . . . 72 Thr N . 25172 1 619 . 1 1 73 73 HIS H H 1 8.255 0.010 . 1 . . . . 73 His H . 25172 1 620 . 1 1 73 73 HIS HA H 1 5.179 0.019 . 1 . . . . 73 His HA . 25172 1 621 . 1 1 73 73 HIS HB2 H 1 2.698 0.000 . 2 . . . . 73 His HB2 . 25172 1 622 . 1 1 73 73 HIS HB3 H 1 3.088 0.015 . 2 . . . . 73 His HB3 . 25172 1 623 . 1 1 73 73 HIS C C 13 172.653 0.000 . 1 . . . . 73 His C . 25172 1 624 . 1 1 73 73 HIS CA C 13 57.549 0.042 . 1 . . . . 73 His CA . 25172 1 625 . 1 1 73 73 HIS CB C 13 35.606 0.044 . 1 . . . . 73 His CB . 25172 1 626 . 1 1 73 73 HIS N N 15 122.520 0.082 . 1 . . . . 73 His N . 25172 1 627 . 1 1 74 74 THR H H 1 9.336 0.008 . 1 . . . . 74 Thr H . 25172 1 628 . 1 1 74 74 THR HA H 1 4.775 0.000 . 1 . . . . 74 Thr HA . 25172 1 629 . 1 1 74 74 THR HB H 1 4.160 0.009 . 1 . . . . 74 Thr HB . 25172 1 630 . 1 1 74 74 THR HG21 H 1 1.104 0.011 . 1 . . . . 74 Thr HG21 . 25172 1 631 . 1 1 74 74 THR HG22 H 1 1.104 0.011 . 1 . . . . 74 Thr HG22 . 25172 1 632 . 1 1 74 74 THR HG23 H 1 1.104 0.011 . 1 . . . . 74 Thr HG23 . 25172 1 633 . 1 1 74 74 THR C C 13 173.184 0.000 . 1 . . . . 74 Thr C . 25172 1 634 . 1 1 74 74 THR CA C 13 60.122 0.035 . 1 . . . . 74 Thr CA . 25172 1 635 . 1 1 74 74 THR CB C 13 70.750 0.035 . 1 . . . . 74 Thr CB . 25172 1 636 . 1 1 74 74 THR CG2 C 13 19.470 0.084 . 1 . . . . 74 Thr CG2 . 25172 1 637 . 1 1 74 74 THR N N 15 112.368 0.124 . 1 . . . . 74 Thr N . 25172 1 638 . 1 1 75 75 GLY H H 1 7.947 0.010 . 1 . . . . 75 Gly H . 25172 1 639 . 1 1 75 75 GLY HA2 H 1 4.850 0.000 . 2 . . . . 75 Gly HA2 . 25172 1 640 . 1 1 75 75 GLY HA3 H 1 4.002 0.019 . 2 . . . . 75 Gly HA3 . 25172 1 641 . 1 1 75 75 GLY C C 13 174.298 0.000 . 1 . . . . 75 Gly C . 25172 1 642 . 1 1 75 75 GLY CA C 13 43.877 0.040 . 1 . . . . 75 Gly CA . 25172 1 643 . 1 1 75 75 GLY N N 15 108.379 0.190 . 1 . . . . 75 Gly N . 25172 1 644 . 1 1 76 76 PRO HA H 1 4.014 0.000 . 1 . . . . 76 Pro HA . 25172 1 645 . 1 1 76 76 PRO HB2 H 1 2.047 0.000 . 2 . . . . 76 Pro HB2 . 25172 1 646 . 1 1 76 76 PRO HB3 H 1 2.367 0.000 . 2 . . . . 76 Pro HB3 . 25172 1 647 . 1 1 76 76 PRO C C 13 177.349 0.000 . 1 . . . . 76 Pro C . 25172 1 648 . 1 1 76 76 PRO CA C 13 65.186 0.000 . 1 . . . . 76 Pro CA . 25172 1 649 . 1 1 76 76 PRO CB C 13 31.920 0.000 . 1 . . . . 76 Pro CB . 25172 1 650 . 1 1 77 77 ASN H H 1 9.179 0.016 . 1 . . . . 77 Asn H . 25172 1 651 . 1 1 77 77 ASN HA H 1 5.530 0.000 . 1 . . . . 77 Asn HA . 25172 1 652 . 1 1 77 77 ASN HB2 H 1 3.523 0.000 . 2 . . . . 77 Asn HB2 . 25172 1 653 . 1 1 77 77 ASN HB3 H 1 2.430 0.000 . 2 . . . . 77 Asn HB3 . 25172 1 654 . 1 1 77 77 ASN C C 13 175.127 0.000 . 1 . . . . 77 Asn C . 25172 1 655 . 1 1 77 77 ASN CA C 13 53.066 0.024 . 1 . . . . 77 Asn CA . 25172 1 656 . 1 1 77 77 ASN CB C 13 39.690 0.000 . 1 . . . . 77 Asn CB . 25172 1 657 . 1 1 77 77 ASN N N 15 114.722 0.122 . 1 . . . . 77 Asn N . 25172 1 658 . 1 1 78 78 CYS H H 1 8.062 0.018 . 1 . . . . 78 Cys H . 25172 1 659 . 1 1 78 78 CYS C C 13 176.460 0.000 . 1 . . . . 78 Cys C . 25172 1 660 . 1 1 78 78 CYS CA C 13 54.636 0.000 . 1 . . . . 78 Cys CA . 25172 1 661 . 1 1 78 78 CYS CB C 13 36.646 0.000 . 1 . . . . 78 Cys CB . 25172 1 662 . 1 1 78 78 CYS N N 15 113.426 0.083 . 1 . . . . 78 Cys N . 25172 1 663 . 1 1 79 79 GLU H H 1 9.887 0.002 . 1 . . . . 79 Glu H . 25172 1 664 . 1 1 79 79 GLU HA H 1 4.286 0.000 . 1 . . . . 79 Glu HA . 25172 1 665 . 1 1 79 79 GLU HB2 H 1 2.223 0.000 . 2 . . . . 79 Glu HB2 . 25172 1 666 . 1 1 79 79 GLU HB3 H 1 2.001 0.000 . 2 . . . . 79 Glu HB3 . 25172 1 667 . 1 1 79 79 GLU C C 13 177.012 0.000 . 1 . . . . 79 Glu C . 25172 1 668 . 1 1 79 79 GLU CA C 13 58.129 0.000 . 1 . . . . 79 Glu CA . 25172 1 669 . 1 1 79 79 GLU CB C 13 30.419 0.000 . 1 . . . . 79 Glu CB . 25172 1 670 . 1 1 79 79 GLU N N 15 129.126 0.168 . 1 . . . . 79 Glu N . 25172 1 671 . 1 1 80 80 ARG H H 1 8.753 0.019 . 1 . . . . 80 Arg H . 25172 1 672 . 1 1 80 80 ARG C C 13 173.369 0.000 . 1 . . . . 80 Arg C . 25172 1 673 . 1 1 80 80 ARG CA C 13 53.351 0.000 . 1 . . . . 80 Arg CA . 25172 1 674 . 1 1 80 80 ARG N N 15 123.002 0.127 . 1 . . . . 80 Arg N . 25172 1 675 . 1 1 81 81 PRO HA H 1 4.197 0.000 . 1 . . . . 81 Pro HA . 25172 1 676 . 1 1 81 81 PRO HB2 H 1 2.111 0.000 . 2 . . . . 81 Pro HB2 . 25172 1 677 . 1 1 81 81 PRO HB3 H 1 1.736 0.000 . 2 . . . . 81 Pro HB3 . 25172 1 678 . 1 1 81 81 PRO C C 13 176.220 0.000 . 1 . . . . 81 Pro C . 25172 1 679 . 1 1 81 81 PRO CA C 13 62.835 0.000 . 1 . . . . 81 Pro CA . 25172 1 680 . 1 1 81 81 PRO CB C 13 31.891 0.000 . 1 . . . . 81 Pro CB . 25172 1 681 . 1 1 82 82 TYR H H 1 8.189 0.003 . 1 . . . . 82 Tyr H . 25172 1 682 . 1 1 82 82 TYR HA H 1 4.252 0.000 . 1 . . . . 82 Tyr HA . 25172 1 683 . 1 1 82 82 TYR HB2 H 1 2.497 0.000 . 2 . . . . 82 Tyr HB2 . 25172 1 684 . 1 1 82 82 TYR HB3 H 1 2.651 0.000 . 2 . . . . 82 Tyr HB3 . 25172 1 685 . 1 1 82 82 TYR C C 13 174.431 0.000 . 1 . . . . 82 Tyr C . 25172 1 686 . 1 1 82 82 TYR CA C 13 58.553 0.000 . 1 . . . . 82 Tyr CA . 25172 1 687 . 1 1 82 82 TYR CB C 13 39.123 0.000 . 1 . . . . 82 Tyr CB . 25172 1 688 . 1 1 82 82 TYR N N 15 123.967 0.092 . 1 . . . . 82 Tyr N . 25172 1 689 . 1 1 83 83 VAL H H 1 7.960 0.010 . 1 . . . . 83 Val H . 25172 1 690 . 1 1 83 83 VAL HA H 1 4.292 0.003 . 1 . . . . 83 Val HA . 25172 1 691 . 1 1 83 83 VAL HB H 1 2.042 0.008 . 1 . . . . 83 Val HB . 25172 1 692 . 1 1 83 83 VAL HG11 H 1 0.844 0.002 . 2 . . . . 83 Val HG11 . 25172 1 693 . 1 1 83 83 VAL HG12 H 1 0.844 0.002 . 2 . . . . 83 Val HG12 . 25172 1 694 . 1 1 83 83 VAL HG13 H 1 0.844 0.002 . 2 . . . . 83 Val HG13 . 25172 1 695 . 1 1 83 83 VAL HG21 H 1 0.811 0.004 . 2 . . . . 83 Val HG21 . 25172 1 696 . 1 1 83 83 VAL HG22 H 1 0.811 0.004 . 2 . . . . 83 Val HG22 . 25172 1 697 . 1 1 83 83 VAL HG23 H 1 0.811 0.004 . 2 . . . . 83 Val HG23 . 25172 1 698 . 1 1 83 83 VAL C C 13 173.634 0.000 . 1 . . . . 83 Val C . 25172 1 699 . 1 1 83 83 VAL CA C 13 58.937 0.058 . 1 . . . . 83 Val CA . 25172 1 700 . 1 1 83 83 VAL CB C 13 33.673 0.000 . 1 . . . . 83 Val CB . 25172 1 701 . 1 1 83 83 VAL CG1 C 13 20.949 0.025 . 2 . . . . 83 Val CG1 . 25172 1 702 . 1 1 83 83 VAL CG2 C 13 20.362 0.042 . 2 . . . . 83 Val CG2 . 25172 1 703 . 1 1 83 83 VAL N N 15 129.289 0.145 . 1 . . . . 83 Val N . 25172 1 704 . 1 1 84 84 PRO CB C 13 29.533 0.000 . 1 . . . . 84 Pro CB . 25172 1 705 . 1 1 85 85 CYS H H 1 8.352 0.007 . 1 . . . . 85 Cys H . 25172 1 706 . 1 1 85 85 CYS HB2 H 1 3.380 0.000 . 2 . . . . 85 Cys HB2 . 25172 1 707 . 1 1 85 85 CYS HB3 H 1 3.662 0.000 . 2 . . . . 85 Cys HB3 . 25172 1 708 . 1 1 85 85 CYS C C 13 173.829 0.000 . 1 . . . . 85 Cys C . 25172 1 709 . 1 1 85 85 CYS CA C 13 53.473 0.000 . 1 . . . . 85 Cys CA . 25172 1 710 . 1 1 85 85 CYS CB C 13 37.002 0.000 . 1 . . . . 85 Cys CB . 25172 1 711 . 1 1 85 85 CYS N N 15 122.948 0.050 . 1 . . . . 85 Cys N . 25172 1 712 . 1 1 86 86 SER H H 1 7.383 0.013 . 1 . . . . 86 Ser H . 25172 1 713 . 1 1 86 86 SER HB2 H 1 3.697 0.000 . 2 . . . . 86 Ser HB2 . 25172 1 714 . 1 1 86 86 SER HB3 H 1 3.408 0.007 . 2 . . . . 86 Ser HB3 . 25172 1 715 . 1 1 86 86 SER C C 13 171.720 0.000 . 1 . . . . 86 Ser C . 25172 1 716 . 1 1 86 86 SER CA C 13 54.470 0.000 . 1 . . . . 86 Ser CA . 25172 1 717 . 1 1 86 86 SER CB C 13 63.806 0.097 . 1 . . . . 86 Ser CB . 25172 1 718 . 1 1 86 86 SER N N 15 115.061 0.136 . 1 . . . . 86 Ser N . 25172 1 719 . 1 1 87 87 PRO C C 13 176.422 0.000 . 1 . . . . 87 Pro C . 25172 1 720 . 1 1 88 88 SER H H 1 8.663 0.023 . 1 . . . . 88 Ser H . 25172 1 721 . 1 1 88 88 SER N N 15 114.496 0.005 . 1 . . . . 88 Ser N . 25172 1 722 . 1 1 89 89 PRO HA H 1 4.638 0.002 . 1 . . . . 89 Pro HA . 25172 1 723 . 1 1 89 89 PRO HB2 H 1 1.959 0.000 . 1 . . . . 89 Pro HB2 . 25172 1 724 . 1 1 89 89 PRO HB3 H 1 1.959 0.000 . 1 . . . . 89 Pro HB3 . 25172 1 725 . 1 1 89 89 PRO HG2 H 1 1.288 0.000 . 2 . . . . 89 Pro HG2 . 25172 1 726 . 1 1 89 89 PRO HG3 H 1 1.232 0.000 . 2 . . . . 89 Pro HG3 . 25172 1 727 . 1 1 89 89 PRO HD2 H 1 3.876 0.000 . 2 . . . . 89 Pro HD2 . 25172 1 728 . 1 1 89 89 PRO HD3 H 1 3.694 0.020 . 2 . . . . 89 Pro HD3 . 25172 1 729 . 1 1 89 89 PRO C C 13 176.359 0.000 . 1 . . . . 89 Pro C . 25172 1 730 . 1 1 89 89 PRO CA C 13 62.536 0.022 . 1 . . . . 89 Pro CA . 25172 1 731 . 1 1 89 89 PRO CB C 13 32.048 0.000 . 1 . . . . 89 Pro CB . 25172 1 732 . 1 1 89 89 PRO CG C 13 25.855 0.003 . 1 . . . . 89 Pro CG . 25172 1 733 . 1 1 89 89 PRO CD C 13 50.635 0.018 . 1 . . . . 89 Pro CD . 25172 1 734 . 1 1 90 90 CYS H H 1 7.620 0.003 . 1 . . . . 90 Cys H . 25172 1 735 . 1 1 90 90 CYS HA H 1 4.289 0.007 . 1 . . . . 90 Cys HA . 25172 1 736 . 1 1 90 90 CYS HB2 H 1 2.342 0.000 . 1 . . . . 90 Cys HB2 . 25172 1 737 . 1 1 90 90 CYS HB3 H 1 2.342 0.000 . 1 . . . . 90 Cys HB3 . 25172 1 738 . 1 1 90 90 CYS C C 13 173.997 0.000 . 1 . . . . 90 Cys C . 25172 1 739 . 1 1 90 90 CYS CA C 13 54.166 0.063 . 1 . . . . 90 Cys CA . 25172 1 740 . 1 1 90 90 CYS CB C 13 37.763 0.000 . 1 . . . . 90 Cys CB . 25172 1 741 . 1 1 90 90 CYS N N 15 118.283 0.086 . 1 . . . . 90 Cys N . 25172 1 742 . 1 1 91 91 GLN H H 1 8.763 0.011 . 1 . . . . 91 Gln H . 25172 1 743 . 1 1 91 91 GLN HA H 1 4.314 0.001 . 1 . . . . 91 Gln HA . 25172 1 744 . 1 1 91 91 GLN HB2 H 1 2.106 0.000 . 2 . . . . 91 Gln HB2 . 25172 1 745 . 1 1 91 91 GLN HB3 H 1 1.644 0.002 . 2 . . . . 91 Gln HB3 . 25172 1 746 . 1 1 91 91 GLN C C 13 176.295 0.000 . 1 . . . . 91 Gln C . 25172 1 747 . 1 1 91 91 GLN CA C 13 54.702 0.013 . 1 . . . . 91 Gln CA . 25172 1 748 . 1 1 91 91 GLN CB C 13 31.124 0.000 . 1 . . . . 91 Gln CB . 25172 1 749 . 1 1 91 91 GLN N N 15 123.970 0.152 . 1 . . . . 91 Gln N . 25172 1 750 . 1 1 92 92 ASN H H 1 9.130 0.002 . 1 . . . . 92 Asn H . 25172 1 751 . 1 1 92 92 ASN HA H 1 3.991 0.003 . 1 . . . . 92 Asn HA . 25172 1 752 . 1 1 92 92 ASN HB2 H 1 1.900 0.003 . 2 . . . . 92 Asn HB2 . 25172 1 753 . 1 1 92 92 ASN HB3 H 1 1.096 0.009 . 2 . . . . 92 Asn HB3 . 25172 1 754 . 1 1 92 92 ASN C C 13 176.520 0.000 . 1 . . . . 92 Asn C . 25172 1 755 . 1 1 92 92 ASN CA C 13 54.888 0.031 . 1 . . . . 92 Asn CA . 25172 1 756 . 1 1 92 92 ASN CB C 13 36.916 0.078 . 1 . . . . 92 Asn CB . 25172 1 757 . 1 1 92 92 ASN N N 15 114.334 0.029 . 1 . . . . 92 Asn N . 25172 1 758 . 1 1 93 93 GLY H H 1 8.702 0.006 . 1 . . . . 93 Gly H . 25172 1 759 . 1 1 93 93 GLY HA2 H 1 3.628 0.001 . 2 . . . . 93 Gly HA2 . 25172 1 760 . 1 1 93 93 GLY HA3 H 1 4.027 0.018 . 2 . . . . 93 Gly HA3 . 25172 1 761 . 1 1 93 93 GLY C C 13 175.280 0.000 . 1 . . . . 93 Gly C . 25172 1 762 . 1 1 93 93 GLY CA C 13 45.545 0.041 . 1 . . . . 93 Gly CA . 25172 1 763 . 1 1 93 93 GLY N N 15 106.614 0.074 . 1 . . . . 93 Gly N . 25172 1 764 . 1 1 94 94 GLY H H 1 7.392 0.007 . 1 . . . . 94 Gly H . 25172 1 765 . 1 1 94 94 GLY HA2 H 1 4.384 0.010 . 2 . . . . 94 Gly HA2 . 25172 1 766 . 1 1 94 94 GLY HA3 H 1 3.410 0.010 . 2 . . . . 94 Gly HA3 . 25172 1 767 . 1 1 94 94 GLY C C 13 172.120 0.000 . 1 . . . . 94 Gly C . 25172 1 768 . 1 1 94 94 GLY CA C 13 45.695 0.085 . 1 . . . . 94 Gly CA . 25172 1 769 . 1 1 94 94 GLY N N 15 105.671 0.144 . 1 . . . . 94 Gly N . 25172 1 770 . 1 1 95 95 THR H H 1 8.476 0.013 . 1 . . . . 95 Thr H . 25172 1 771 . 1 1 95 95 THR HA H 1 4.445 0.000 . 1 . . . . 95 Thr HA . 25172 1 772 . 1 1 95 95 THR HB H 1 4.090 0.000 . 1 . . . . 95 Thr HB . 25172 1 773 . 1 1 95 95 THR HG21 H 1 1.243 0.001 . 1 . . . . 95 Thr HG21 . 25172 1 774 . 1 1 95 95 THR HG22 H 1 1.243 0.001 . 1 . . . . 95 Thr HG22 . 25172 1 775 . 1 1 95 95 THR HG23 H 1 1.243 0.001 . 1 . . . . 95 Thr HG23 . 25172 1 776 . 1 1 95 95 THR C C 13 172.829 0.000 . 1 . . . . 95 Thr C . 25172 1 777 . 1 1 95 95 THR CA C 13 62.220 0.000 . 1 . . . . 95 Thr CA . 25172 1 778 . 1 1 95 95 THR CB C 13 71.253 0.000 . 1 . . . . 95 Thr CB . 25172 1 779 . 1 1 95 95 THR CG2 C 13 21.682 0.000 . 1 . . . . 95 Thr CG2 . 25172 1 780 . 1 1 95 95 THR N N 15 116.852 0.158 . 1 . . . . 95 Thr N . 25172 1 781 . 1 1 96 96 CYS H H 1 9.079 0.010 . 1 . . . . 96 Cys H . 25172 1 782 . 1 1 96 96 CYS HA H 1 5.041 0.007 . 1 . . . . 96 Cys HA . 25172 1 783 . 1 1 96 96 CYS HB2 H 1 3.136 0.012 . 2 . . . . 96 Cys HB2 . 25172 1 784 . 1 1 96 96 CYS HB3 H 1 3.264 0.014 . 2 . . . . 96 Cys HB3 . 25172 1 785 . 1 1 96 96 CYS C C 13 173.890 0.000 . 1 . . . . 96 Cys C . 25172 1 786 . 1 1 96 96 CYS CA C 13 57.873 0.061 . 1 . . . . 96 Cys CA . 25172 1 787 . 1 1 96 96 CYS CB C 13 37.999 0.067 . 1 . . . . 96 Cys CB . 25172 1 788 . 1 1 96 96 CYS N N 15 128.712 0.146 . 1 . . . . 96 Cys N . 25172 1 789 . 1 1 97 97 ARG H H 1 9.388 0.008 . 1 . . . . 97 Arg H . 25172 1 790 . 1 1 97 97 ARG HA H 1 5.058 0.007 . 1 . . . . 97 Arg HA . 25172 1 791 . 1 1 97 97 ARG HB2 H 1 1.855 0.000 . 1 . . . . 97 Arg HB2 . 25172 1 792 . 1 1 97 97 ARG HB3 H 1 1.855 0.000 . 1 . . . . 97 Arg HB3 . 25172 1 793 . 1 1 97 97 ARG HG2 H 1 1.584 0.000 . 2 . . . . 97 Arg HG2 . 25172 1 794 . 1 1 97 97 ARG HG3 H 1 1.656 0.005 . 2 . . . . 97 Arg HG3 . 25172 1 795 . 1 1 97 97 ARG HD3 H 1 3.212 0.000 . 1 . . . . 97 Arg HD3 . 25172 1 796 . 1 1 97 97 ARG C C 13 173.485 0.000 . 1 . . . . 97 Arg C . 25172 1 797 . 1 1 97 97 ARG CA C 13 53.517 0.063 . 1 . . . . 97 Arg CA . 25172 1 798 . 1 1 97 97 ARG CB C 13 32.857 0.000 . 1 . . . . 97 Arg CB . 25172 1 799 . 1 1 97 97 ARG CG C 13 27.130 0.007 . 1 . . . . 97 Arg CG . 25172 1 800 . 1 1 97 97 ARG CD C 13 43.673 0.000 . 1 . . . . 97 Arg CD . 25172 1 801 . 1 1 97 97 ARG N N 15 130.191 0.131 . 1 . . . . 97 Arg N . 25172 1 802 . 1 1 98 98 PRO HA H 1 4.794 0.000 . 1 . . . . 98 Pro HA . 25172 1 803 . 1 1 98 98 PRO HB2 H 1 2.296 0.000 . 2 . . . . 98 Pro HB2 . 25172 1 804 . 1 1 98 98 PRO HB3 H 1 2.161 0.000 . 2 . . . . 98 Pro HB3 . 25172 1 805 . 1 1 98 98 PRO C C 13 177.580 0.000 . 1 . . . . 98 Pro C . 25172 1 806 . 1 1 98 98 PRO CA C 13 62.830 0.000 . 1 . . . . 98 Pro CA . 25172 1 807 . 1 1 98 98 PRO CB C 13 32.553 0.000 . 1 . . . . 98 Pro CB . 25172 1 808 . 1 1 99 99 THR H H 1 8.579 0.004 . 1 . . . . 99 Thr H . 25172 1 809 . 1 1 99 99 THR HA H 1 4.480 0.000 . 1 . . . . 99 Thr HA . 25172 1 810 . 1 1 99 99 THR HB H 1 4.599 0.000 . 1 . . . . 99 Thr HB . 25172 1 811 . 1 1 99 99 THR HG21 H 1 1.035 0.000 . 1 . . . . 99 Thr HG21 . 25172 1 812 . 1 1 99 99 THR HG22 H 1 1.035 0.000 . 1 . . . . 99 Thr HG22 . 25172 1 813 . 1 1 99 99 THR HG23 H 1 1.035 0.000 . 1 . . . . 99 Thr HG23 . 25172 1 814 . 1 1 99 99 THR C C 13 173.442 0.000 . 1 . . . . 99 Thr C . 25172 1 815 . 1 1 99 99 THR CA C 13 60.208 0.000 . 1 . . . . 99 Thr CA . 25172 1 816 . 1 1 99 99 THR CB C 13 69.235 0.000 . 1 . . . . 99 Thr CB . 25172 1 817 . 1 1 99 99 THR CG2 C 13 22.636 0.000 . 1 . . . . 99 Thr CG2 . 25172 1 818 . 1 1 99 99 THR N N 15 113.019 0.066 . 1 . . . . 99 Thr N . 25172 1 819 . 1 1 100 100 GLY H H 1 7.735 0.006 . 1 . . . . 100 Gly H . 25172 1 820 . 1 1 100 100 GLY HA2 H 1 4.007 0.000 . 2 . . . . 100 Gly HA2 . 25172 1 821 . 1 1 100 100 GLY HA3 H 1 4.223 0.000 . 2 . . . . 100 Gly HA3 . 25172 1 822 . 1 1 100 100 GLY C C 13 172.681 0.000 . 1 . . . . 100 Gly C . 25172 1 823 . 1 1 100 100 GLY CA C 13 44.723 0.000 . 1 . . . . 100 Gly CA . 25172 1 824 . 1 1 100 100 GLY N N 15 110.280 0.076 . 1 . . . . 100 Gly N . 25172 1 825 . 1 1 101 101 ASP H H 1 8.705 0.007 . 1 . . . . 101 Asp H . 25172 1 826 . 1 1 101 101 ASP HA H 1 4.433 0.000 . 1 . . . . 101 Asp HA . 25172 1 827 . 1 1 101 101 ASP HB2 H 1 2.682 0.000 . 2 . . . . 101 Asp HB2 . 25172 1 828 . 1 1 101 101 ASP HB3 H 1 2.769 0.000 . 2 . . . . 101 Asp HB3 . 25172 1 829 . 1 1 101 101 ASP C C 13 177.954 0.000 . 1 . . . . 101 Asp C . 25172 1 830 . 1 1 101 101 ASP CA C 13 57.423 0.000 . 1 . . . . 101 Asp CA . 25172 1 831 . 1 1 101 101 ASP CB C 13 40.758 0.000 . 1 . . . . 101 Asp CB . 25172 1 832 . 1 1 101 101 ASP N N 15 120.799 0.122 . 1 . . . . 101 Asp N . 25172 1 833 . 1 1 102 102 VAL H H 1 8.410 0.007 . 1 . . . . 102 Val H . 25172 1 834 . 1 1 102 102 VAL HA H 1 4.731 0.023 . 1 . . . . 102 Val HA . 25172 1 835 . 1 1 102 102 VAL HB H 1 2.437 0.009 . 1 . . . . 102 Val HB . 25172 1 836 . 1 1 102 102 VAL HG11 H 1 0.834 0.007 . 2 . . . . 102 Val HG11 . 25172 1 837 . 1 1 102 102 VAL HG12 H 1 0.834 0.007 . 2 . . . . 102 Val HG12 . 25172 1 838 . 1 1 102 102 VAL HG13 H 1 0.834 0.007 . 2 . . . . 102 Val HG13 . 25172 1 839 . 1 1 102 102 VAL HG21 H 1 0.835 0.003 . 2 . . . . 102 Val HG21 . 25172 1 840 . 1 1 102 102 VAL HG22 H 1 0.835 0.003 . 2 . . . . 102 Val HG22 . 25172 1 841 . 1 1 102 102 VAL HG23 H 1 0.835 0.003 . 2 . . . . 102 Val HG23 . 25172 1 842 . 1 1 102 102 VAL C C 13 175.882 0.000 . 1 . . . . 102 Val C . 25172 1 843 . 1 1 102 102 VAL CA C 13 60.700 0.075 . 1 . . . . 102 Val CA . 25172 1 844 . 1 1 102 102 VAL CB C 13 33.298 0.051 . 1 . . . . 102 Val CB . 25172 1 845 . 1 1 102 102 VAL CG1 C 13 19.070 0.028 . 2 . . . . 102 Val CG1 . 25172 1 846 . 1 1 102 102 VAL CG2 C 13 21.803 0.048 . 2 . . . . 102 Val CG2 . 25172 1 847 . 1 1 102 102 VAL N N 15 107.204 0.073 . 1 . . . . 102 Val N . 25172 1 848 . 1 1 103 103 THR H H 1 7.084 0.007 . 1 . . . . 103 Thr H . 25172 1 849 . 1 1 103 103 THR HA H 1 4.830 0.000 . 1 . . . . 103 Thr HA . 25172 1 850 . 1 1 103 103 THR HB H 1 4.146 0.010 . 1 . . . . 103 Thr HB . 25172 1 851 . 1 1 103 103 THR HG21 H 1 1.109 0.000 . 1 . . . . 103 Thr HG21 . 25172 1 852 . 1 1 103 103 THR HG22 H 1 1.109 0.000 . 1 . . . . 103 Thr HG22 . 25172 1 853 . 1 1 103 103 THR HG23 H 1 1.109 0.000 . 1 . . . . 103 Thr HG23 . 25172 1 854 . 1 1 103 103 THR C C 13 173.340 0.000 . 1 . . . . 103 Thr C . 25172 1 855 . 1 1 103 103 THR CA C 13 60.492 0.000 . 1 . . . . 103 Thr CA . 25172 1 856 . 1 1 103 103 THR CB C 13 71.649 0.037 . 1 . . . . 103 Thr CB . 25172 1 857 . 1 1 103 103 THR CG2 C 13 21.817 0.000 . 1 . . . . 103 Thr CG2 . 25172 1 858 . 1 1 103 103 THR N N 15 111.146 0.063 . 1 . . . . 103 Thr N . 25172 1 859 . 1 1 104 104 HIS H H 1 8.276 0.015 . 1 . . . . 104 His H . 25172 1 860 . 1 1 104 104 HIS HA H 1 5.452 0.000 . 1 . . . . 104 His HA . 25172 1 861 . 1 1 104 104 HIS HB2 H 1 2.729 0.000 . 2 . . . . 104 His HB2 . 25172 1 862 . 1 1 104 104 HIS HB3 H 1 3.161 0.000 . 2 . . . . 104 His HB3 . 25172 1 863 . 1 1 104 104 HIS C C 13 172.884 0.000 . 1 . . . . 104 His C . 25172 1 864 . 1 1 104 104 HIS CA C 13 55.435 0.000 . 1 . . . . 104 His CA . 25172 1 865 . 1 1 104 104 HIS CB C 13 35.480 0.000 . 1 . . . . 104 His CB . 25172 1 866 . 1 1 104 104 HIS N N 15 117.287 0.096 . 1 . . . . 104 His N . 25172 1 867 . 1 1 105 105 GLU H H 1 9.028 0.008 . 1 . . . . 105 Glu H . 25172 1 868 . 1 1 105 105 GLU HA H 1 4.664 0.003 . 1 . . . . 105 Glu HA . 25172 1 869 . 1 1 105 105 GLU HB2 H 1 1.957 0.013 . 2 . . . . 105 Glu HB2 . 25172 1 870 . 1 1 105 105 GLU HB3 H 1 1.965 0.010 . 2 . . . . 105 Glu HB3 . 25172 1 871 . 1 1 105 105 GLU HG2 H 1 2.170 0.000 . 1 . . . . 105 Glu HG2 . 25172 1 872 . 1 1 105 105 GLU HG3 H 1 2.170 0.000 . 1 . . . . 105 Glu HG3 . 25172 1 873 . 1 1 105 105 GLU C C 13 175.250 0.000 . 1 . . . . 105 Glu C . 25172 1 874 . 1 1 105 105 GLU CA C 13 54.738 0.009 . 1 . . . . 105 Glu CA . 25172 1 875 . 1 1 105 105 GLU CB C 13 33.790 0.083 . 1 . . . . 105 Glu CB . 25172 1 876 . 1 1 105 105 GLU CG C 13 35.697 0.000 . 1 . . . . 105 Glu CG . 25172 1 877 . 1 1 105 105 GLU N N 15 118.032 0.119 . 1 . . . . 105 Glu N . 25172 1 878 . 1 1 106 106 CYS H H 1 9.135 0.006 . 1 . . . . 106 Cys H . 25172 1 879 . 1 1 106 106 CYS HA H 1 5.502 0.019 . 1 . . . . 106 Cys HA . 25172 1 880 . 1 1 106 106 CYS HB2 H 1 2.679 0.000 . 2 . . . . 106 Cys HB2 . 25172 1 881 . 1 1 106 106 CYS HB3 H 1 3.106 0.000 . 2 . . . . 106 Cys HB3 . 25172 1 882 . 1 1 106 106 CYS C C 13 173.381 0.000 . 1 . . . . 106 Cys C . 25172 1 883 . 1 1 106 106 CYS CA C 13 53.908 0.013 . 1 . . . . 106 Cys CA . 25172 1 884 . 1 1 106 106 CYS CB C 13 43.821 0.000 . 1 . . . . 106 Cys CB . 25172 1 885 . 1 1 106 106 CYS N N 15 119.415 0.146 . 1 . . . . 106 Cys N . 25172 1 886 . 1 1 107 107 ALA H H 1 9.318 0.007 . 1 . . . . 107 Ala H . 25172 1 887 . 1 1 107 107 ALA HA H 1 4.746 0.000 . 1 . . . . 107 Ala HA . 25172 1 888 . 1 1 107 107 ALA HB1 H 1 1.397 0.000 . 1 . . . . 107 Ala HB1 . 25172 1 889 . 1 1 107 107 ALA HB2 H 1 1.397 0.000 . 1 . . . . 107 Ala HB2 . 25172 1 890 . 1 1 107 107 ALA HB3 H 1 1.397 0.000 . 1 . . . . 107 Ala HB3 . 25172 1 891 . 1 1 107 107 ALA C C 13 177.193 0.000 . 1 . . . . 107 Ala C . 25172 1 892 . 1 1 107 107 ALA CA C 13 50.853 0.000 . 1 . . . . 107 Ala CA . 25172 1 893 . 1 1 107 107 ALA CB C 13 18.637 0.000 . 1 . . . . 107 Ala CB . 25172 1 894 . 1 1 107 107 ALA N N 15 128.672 0.147 . 1 . . . . 107 Ala N . 25172 1 895 . 1 1 108 108 CYS H H 1 8.835 0.003 . 1 . . . . 108 Cys H . 25172 1 896 . 1 1 108 108 CYS HA H 1 4.820 0.000 . 1 . . . . 108 Cys HA . 25172 1 897 . 1 1 108 108 CYS HB2 H 1 2.736 0.000 . 2 . . . . 108 Cys HB2 . 25172 1 898 . 1 1 108 108 CYS HB3 H 1 3.324 0.000 . 2 . . . . 108 Cys HB3 . 25172 1 899 . 1 1 108 108 CYS C C 13 176.012 0.000 . 1 . . . . 108 Cys C . 25172 1 900 . 1 1 108 108 CYS CA C 13 53.194 0.000 . 1 . . . . 108 Cys CA . 25172 1 901 . 1 1 108 108 CYS CB C 13 37.406 0.000 . 1 . . . . 108 Cys CB . 25172 1 902 . 1 1 108 108 CYS N N 15 122.769 0.077 . 1 . . . . 108 Cys N . 25172 1 903 . 1 1 109 109 LEU H H 1 8.680 0.011 . 1 . . . . 109 Leu H . 25172 1 904 . 1 1 109 109 LEU HA H 1 4.609 0.004 . 1 . . . . 109 Leu HA . 25172 1 905 . 1 1 109 109 LEU HB2 H 1 1.656 0.000 . 2 . . . . 109 Leu HB2 . 25172 1 906 . 1 1 109 109 LEU HB3 H 1 1.799 0.000 . 2 . . . . 109 Leu HB3 . 25172 1 907 . 1 1 109 109 LEU HG H 1 1.645 0.000 . 1 . . . . 109 Leu HG . 25172 1 908 . 1 1 109 109 LEU HD11 H 1 0.993 0.000 . 2 . . . . 109 Leu HD11 . 25172 1 909 . 1 1 109 109 LEU HD12 H 1 0.993 0.000 . 2 . . . . 109 Leu HD12 . 25172 1 910 . 1 1 109 109 LEU HD13 H 1 0.993 0.000 . 2 . . . . 109 Leu HD13 . 25172 1 911 . 1 1 109 109 LEU HD21 H 1 1.045 0.000 . 2 . . . . 109 Leu HD21 . 25172 1 912 . 1 1 109 109 LEU HD22 H 1 1.045 0.000 . 2 . . . . 109 Leu HD22 . 25172 1 913 . 1 1 109 109 LEU HD23 H 1 1.045 0.000 . 2 . . . . 109 Leu HD23 . 25172 1 914 . 1 1 109 109 LEU C C 13 174.222 0.000 . 1 . . . . 109 Leu C . 25172 1 915 . 1 1 109 109 LEU CA C 13 53.883 0.024 . 1 . . . . 109 Leu CA . 25172 1 916 . 1 1 109 109 LEU CB C 13 40.200 0.002 . 1 . . . . 109 Leu CB . 25172 1 917 . 1 1 109 109 LEU CG C 13 28.688 0.000 . 1 . . . . 109 Leu CG . 25172 1 918 . 1 1 109 109 LEU CD1 C 13 22.466 0.000 . 2 . . . . 109 Leu CD1 . 25172 1 919 . 1 1 109 109 LEU CD2 C 13 25.973 0.000 . 2 . . . . 109 Leu CD2 . 25172 1 920 . 1 1 109 109 LEU N N 15 124.120 0.124 . 1 . . . . 109 Leu N . 25172 1 921 . 1 1 110 110 PRO HA H 1 4.348 0.000 . 1 . . . . 110 Pro HA . 25172 1 922 . 1 1 110 110 PRO HB2 H 1 2.296 0.000 . 2 . . . . 110 Pro HB2 . 25172 1 923 . 1 1 110 110 PRO HB3 H 1 1.769 0.003 . 2 . . . . 110 Pro HB3 . 25172 1 924 . 1 1 110 110 PRO C C 13 176.955 0.000 . 1 . . . . 110 Pro C . 25172 1 925 . 1 1 110 110 PRO CA C 13 64.213 0.000 . 1 . . . . 110 Pro CA . 25172 1 926 . 1 1 110 110 PRO CB C 13 32.093 0.091 . 1 . . . . 110 Pro CB . 25172 1 927 . 1 1 111 111 GLY H H 1 8.742 0.009 . 1 . . . . 111 Gly H . 25172 1 928 . 1 1 111 111 GLY HA2 H 1 4.130 0.000 . 2 . . . . 111 Gly HA2 . 25172 1 929 . 1 1 111 111 GLY HA3 H 1 3.565 0.000 . 2 . . . . 111 Gly HA3 . 25172 1 930 . 1 1 111 111 GLY C C 13 174.095 0.000 . 1 . . . . 111 Gly C . 25172 1 931 . 1 1 111 111 GLY CA C 13 44.291 0.000 . 1 . . . . 111 Gly CA . 25172 1 932 . 1 1 111 111 GLY N N 15 109.553 0.147 . 1 . . . . 111 Gly N . 25172 1 933 . 1 1 112 112 PHE H H 1 7.944 0.012 . 1 . . . . 112 Phe H . 25172 1 934 . 1 1 112 112 PHE HA H 1 5.719 0.000 . 1 . . . . 112 Phe HA . 25172 1 935 . 1 1 112 112 PHE HB2 H 1 3.121 0.000 . 2 . . . . 112 Phe HB2 . 25172 1 936 . 1 1 112 112 PHE HB3 H 1 2.922 0.000 . 2 . . . . 112 Phe HB3 . 25172 1 937 . 1 1 112 112 PHE HD1 H 1 7.020 0.001 . 3 . . . . 112 Phe HD1 . 25172 1 938 . 1 1 112 112 PHE HD2 H 1 7.020 0.001 . 3 . . . . 112 Phe HD2 . 25172 1 939 . 1 1 112 112 PHE HE1 H 1 7.199 0.002 . 3 . . . . 112 Phe HE1 . 25172 1 940 . 1 1 112 112 PHE HE2 H 1 7.199 0.002 . 3 . . . . 112 Phe HE2 . 25172 1 941 . 1 1 112 112 PHE C C 13 174.499 0.000 . 1 . . . . 112 Phe C . 25172 1 942 . 1 1 112 112 PHE CA C 13 56.738 0.000 . 1 . . . . 112 Phe CA . 25172 1 943 . 1 1 112 112 PHE CB C 13 42.564 0.000 . 1 . . . . 112 Phe CB . 25172 1 944 . 1 1 112 112 PHE N N 15 118.700 0.150 . 1 . . . . 112 Phe N . 25172 1 945 . 1 1 113 113 THR H H 1 9.411 0.005 . 1 . . . . 113 Thr H . 25172 1 946 . 1 1 113 113 THR HA H 1 4.832 0.000 . 1 . . . . 113 Thr HA . 25172 1 947 . 1 1 113 113 THR HB H 1 4.061 0.000 . 1 . . . . 113 Thr HB . 25172 1 948 . 1 1 113 113 THR HG21 H 1 0.840 0.000 . 1 . . . . 113 Thr HG21 . 25172 1 949 . 1 1 113 113 THR HG22 H 1 0.840 0.000 . 1 . . . . 113 Thr HG22 . 25172 1 950 . 1 1 113 113 THR HG23 H 1 0.840 0.000 . 1 . . . . 113 Thr HG23 . 25172 1 951 . 1 1 113 113 THR C C 13 172.831 0.000 . 1 . . . . 113 Thr C . 25172 1 952 . 1 1 113 113 THR CA C 13 59.806 0.000 . 1 . . . . 113 Thr CA . 25172 1 953 . 1 1 113 113 THR CB C 13 70.426 0.000 . 1 . . . . 113 Thr CB . 25172 1 954 . 1 1 113 113 THR CG2 C 13 21.832 0.000 . 1 . . . . 113 Thr CG2 . 25172 1 955 . 1 1 113 113 THR N N 15 115.772 0.082 . 1 . . . . 113 Thr N . 25172 1 956 . 1 1 114 114 GLY H H 1 7.916 0.010 . 1 . . . . 114 Gly H . 25172 1 957 . 1 1 114 114 GLY HA2 H 1 3.861 0.000 . 2 . . . . 114 Gly HA2 . 25172 1 958 . 1 1 114 114 GLY HA3 H 1 4.905 0.000 . 2 . . . . 114 Gly HA3 . 25172 1 959 . 1 1 114 114 GLY C C 13 176.780 0.000 . 1 . . . . 114 Gly C . 25172 1 960 . 1 1 114 114 GLY CA C 13 43.684 0.000 . 1 . . . . 114 Gly CA . 25172 1 961 . 1 1 114 114 GLY N N 15 109.458 0.117 . 1 . . . . 114 Gly N . 25172 1 962 . 1 1 115 115 GLN H H 1 9.403 0.004 . 1 . . . . 115 Gln H . 25172 1 963 . 1 1 115 115 GLN HA H 1 4.022 0.009 . 1 . . . . 115 Gln HA . 25172 1 964 . 1 1 115 115 GLN HB2 H 1 2.173 0.012 . 2 . . . . 115 Gln HB2 . 25172 1 965 . 1 1 115 115 GLN HB3 H 1 2.041 0.013 . 2 . . . . 115 Gln HB3 . 25172 1 966 . 1 1 115 115 GLN HG2 H 1 2.441 0.000 . 2 . . . . 115 Gln HG2 . 25172 1 967 . 1 1 115 115 GLN HG3 H 1 2.391 0.000 . 2 . . . . 115 Gln HG3 . 25172 1 968 . 1 1 115 115 GLN HE21 H 1 6.831 0.007 . 1 . . . . 115 Gln HE21 . 25172 1 969 . 1 1 115 115 GLN HE22 H 1 7.392 0.000 . 1 . . . . 115 Gln HE22 . 25172 1 970 . 1 1 115 115 GLN C C 13 176.670 0.000 . 1 . . . . 115 Gln C . 25172 1 971 . 1 1 115 115 GLN CA C 13 59.467 0.062 . 1 . . . . 115 Gln CA . 25172 1 972 . 1 1 115 115 GLN CB C 13 29.105 0.073 . 1 . . . . 115 Gln CB . 25172 1 973 . 1 1 115 115 GLN CG C 13 33.816 0.011 . 1 . . . . 115 Gln CG . 25172 1 974 . 1 1 115 115 GLN N N 15 123.738 0.128 . 1 . . . . 115 Gln N . 25172 1 975 . 1 1 115 115 GLN NE2 N 15 111.724 0.000 . 1 . . . . 115 Gln NE2 . 25172 1 976 . 1 1 116 116 ASN H H 1 9.133 0.009 . 1 . . . . 116 Asn H . 25172 1 977 . 1 1 116 116 ASN HA H 1 5.749 0.007 . 1 . . . . 116 Asn HA . 25172 1 978 . 1 1 116 116 ASN HB2 H 1 2.542 0.000 . 2 . . . . 116 Asn HB2 . 25172 1 979 . 1 1 116 116 ASN HB3 H 1 3.436 0.003 . 2 . . . . 116 Asn HB3 . 25172 1 980 . 1 1 116 116 ASN HD21 H 1 6.946 0.000 . 1 . . . . 116 Asn HD21 . 25172 1 981 . 1 1 116 116 ASN HD22 H 1 7.478 0.021 . 1 . . . . 116 Asn HD22 . 25172 1 982 . 1 1 116 116 ASN C C 13 175.662 0.000 . 1 . . . . 116 Asn C . 25172 1 983 . 1 1 116 116 ASN CA C 13 52.332 0.029 . 1 . . . . 116 Asn CA . 25172 1 984 . 1 1 116 116 ASN CB C 13 39.567 0.038 . 1 . . . . 116 Asn CB . 25172 1 985 . 1 1 116 116 ASN N N 15 114.419 0.060 . 1 . . . . 116 Asn N . 25172 1 986 . 1 1 116 116 ASN ND2 N 15 112.883 0.149 . 1 . . . . 116 Asn ND2 . 25172 1 987 . 1 1 117 117 CYS H H 1 7.900 0.009 . 1 . . . . 117 Cys H . 25172 1 988 . 1 1 117 117 CYS HA H 1 4.115 0.000 . 1 . . . . 117 Cys HA . 25172 1 989 . 1 1 117 117 CYS HB2 H 1 3.188 0.000 . 2 . . . . 117 Cys HB2 . 25172 1 990 . 1 1 117 117 CYS HB3 H 1 3.504 0.000 . 2 . . . . 117 Cys HB3 . 25172 1 991 . 1 1 117 117 CYS C C 13 174.650 0.000 . 1 . . . . 117 Cys C . 25172 1 992 . 1 1 117 117 CYS CA C 13 55.138 0.000 . 1 . . . . 117 Cys CA . 25172 1 993 . 1 1 117 117 CYS CB C 13 36.751 0.000 . 1 . . . . 117 Cys CB . 25172 1 994 . 1 1 117 117 CYS N N 15 113.171 0.115 . 1 . . . . 117 Cys N . 25172 1 995 . 1 1 118 118 GLU H H 1 10.291 0.008 . 1 . . . . 118 Glu H . 25172 1 996 . 1 1 118 118 GLU HA H 1 3.956 0.006 . 1 . . . . 118 Glu HA . 25172 1 997 . 1 1 118 118 GLU HB2 H 1 2.176 0.000 . 2 . . . . 118 Glu HB2 . 25172 1 998 . 1 1 118 118 GLU HB3 H 1 1.970 0.000 . 2 . . . . 118 Glu HB3 . 25172 1 999 . 1 1 118 118 GLU C C 13 176.253 0.000 . 1 . . . . 118 Glu C . 25172 1 1000 . 1 1 118 118 GLU CA C 13 58.064 0.062 . 1 . . . . 118 Glu CA . 25172 1 1001 . 1 1 118 118 GLU CB C 13 29.804 0.000 . 1 . . . . 118 Glu CB . 25172 1 1002 . 1 1 118 118 GLU N N 15 118.479 0.096 . 1 . . . . 118 Glu N . 25172 1 1003 . 1 1 119 119 GLU H H 1 8.722 0.011 . 1 . . . . 119 Glu H . 25172 1 1004 . 1 1 119 119 GLU HA H 1 4.612 0.010 . 1 . . . . 119 Glu HA . 25172 1 1005 . 1 1 119 119 GLU HB2 H 1 1.826 0.002 . 2 . . . . 119 Glu HB2 . 25172 1 1006 . 1 1 119 119 GLU HB3 H 1 1.823 0.007 . 2 . . . . 119 Glu HB3 . 25172 1 1007 . 1 1 119 119 GLU C C 13 174.354 0.000 . 1 . . . . 119 Glu C . 25172 1 1008 . 1 1 119 119 GLU CA C 13 55.245 0.003 . 1 . . . . 119 Glu CA . 25172 1 1009 . 1 1 119 119 GLU CB C 13 31.050 0.086 . 1 . . . . 119 Glu CB . 25172 1 1010 . 1 1 119 119 GLU N N 15 123.331 0.113 . 1 . . . . 119 Glu N . 25172 1 1011 . 1 1 120 120 ASN H H 1 8.820 0.006 . 1 . . . . 120 Asn H . 25172 1 1012 . 1 1 120 120 ASN HA H 1 4.569 0.000 . 1 . . . . 120 Asn HA . 25172 1 1013 . 1 1 120 120 ASN HB2 H 1 3.132 0.000 . 2 . . . . 120 Asn HB2 . 25172 1 1014 . 1 1 120 120 ASN HB3 H 1 2.721 0.000 . 2 . . . . 120 Asn HB3 . 25172 1 1015 . 1 1 120 120 ASN HD21 H 1 7.346 0.000 . 1 . . . . 120 Asn HD21 . 25172 1 1016 . 1 1 120 120 ASN HD22 H 1 6.846 0.000 . 1 . . . . 120 Asn HD22 . 25172 1 1017 . 1 1 120 120 ASN C C 13 175.658 0.000 . 1 . . . . 120 Asn C . 25172 1 1018 . 1 1 120 120 ASN CA C 13 51.795 0.000 . 1 . . . . 120 Asn CA . 25172 1 1019 . 1 1 120 120 ASN CB C 13 38.191 0.000 . 1 . . . . 120 Asn CB . 25172 1 1020 . 1 1 120 120 ASN N N 15 112.353 0.000 . 1 . . . . 120 Asn N . 25172 1 1021 . 1 1 120 120 ASN ND2 N 15 112.350 0.000 . 1 . . . . 120 Asn ND2 . 25172 1 1022 . 1 1 121 121 ILE H H 1 7.834 0.008 . 1 . . . . 121 Ile H . 25172 1 1023 . 1 1 121 121 ILE HA H 1 3.527 0.000 . 1 . . . . 121 Ile HA . 25172 1 1024 . 1 1 121 121 ILE HB H 1 1.591 0.000 . 1 . . . . 121 Ile HB . 25172 1 1025 . 1 1 121 121 ILE HG12 H 1 1.308 0.000 . 2 . . . . 121 Ile HG12 . 25172 1 1026 . 1 1 121 121 ILE HG13 H 1 0.968 0.000 . 2 . . . . 121 Ile HG13 . 25172 1 1027 . 1 1 121 121 ILE HG21 H 1 0.722 0.000 . 1 . . . . 121 Ile HG21 . 25172 1 1028 . 1 1 121 121 ILE HG22 H 1 0.722 0.000 . 1 . . . . 121 Ile HG22 . 25172 1 1029 . 1 1 121 121 ILE HG23 H 1 0.722 0.000 . 1 . . . . 121 Ile HG23 . 25172 1 1030 . 1 1 121 121 ILE HD11 H 1 0.721 0.000 . 1 . . . . 121 Ile HD11 . 25172 1 1031 . 1 1 121 121 ILE HD12 H 1 0.721 0.000 . 1 . . . . 121 Ile HD12 . 25172 1 1032 . 1 1 121 121 ILE HD13 H 1 0.721 0.000 . 1 . . . . 121 Ile HD13 . 25172 1 1033 . 1 1 121 121 ILE C C 13 175.971 0.000 . 1 . . . . 121 Ile C . 25172 1 1034 . 1 1 121 121 ILE CA C 13 62.865 0.000 . 1 . . . . 121 Ile CA . 25172 1 1035 . 1 1 121 121 ILE CB C 13 38.856 0.000 . 1 . . . . 121 Ile CB . 25172 1 1036 . 1 1 121 121 ILE CG1 C 13 29.142 0.022 . 1 . . . . 121 Ile CG1 . 25172 1 1037 . 1 1 121 121 ILE CG2 C 13 16.629 0.000 . 1 . . . . 121 Ile CG2 . 25172 1 1038 . 1 1 121 121 ILE CD1 C 13 13.928 0.000 . 1 . . . . 121 Ile CD1 . 25172 1 1039 . 1 1 121 121 ILE N N 15 129.043 0.173 . 1 . . . . 121 Ile N . 25172 1 1040 . 1 1 122 122 ASP H H 1 9.065 0.006 . 1 . . . . 122 Asp H . 25172 1 1041 . 1 1 122 122 ASP HA H 1 4.269 0.000 . 1 . . . . 122 Asp HA . 25172 1 1042 . 1 1 122 122 ASP HB2 H 1 2.688 0.000 . 1 . . . . 122 Asp HB2 . 25172 1 1043 . 1 1 122 122 ASP HB3 H 1 2.688 0.000 . 1 . . . . 122 Asp HB3 . 25172 1 1044 . 1 1 122 122 ASP C C 13 175.471 0.000 . 1 . . . . 122 Asp C . 25172 1 1045 . 1 1 122 122 ASP CA C 13 55.465 0.000 . 1 . . . . 122 Asp CA . 25172 1 1046 . 1 1 122 122 ASP CB C 13 40.508 0.000 . 1 . . . . 122 Asp CB . 25172 1 1047 . 1 1 122 122 ASP N N 15 131.013 0.107 . 1 . . . . 122 Asp N . 25172 1 1048 . 1 1 123 123 ASP H H 1 9.220 0.010 . 1 . . . . 123 Asp H . 25172 1 1049 . 1 1 123 123 ASP HA H 1 4.739 0.000 . 1 . . . . 123 Asp HA . 25172 1 1050 . 1 1 123 123 ASP HB2 H 1 2.853 0.000 . 2 . . . . 123 Asp HB2 . 25172 1 1051 . 1 1 123 123 ASP HB3 H 1 2.685 0.000 . 2 . . . . 123 Asp HB3 . 25172 1 1052 . 1 1 123 123 ASP C C 13 176.188 0.000 . 1 . . . . 123 Asp C . 25172 1 1053 . 1 1 123 123 ASP CA C 13 55.637 0.000 . 1 . . . . 123 Asp CA . 25172 1 1054 . 1 1 123 123 ASP CB C 13 42.688 0.000 . 1 . . . . 123 Asp CB . 25172 1 1055 . 1 1 123 123 ASP N N 15 127.587 0.139 . 1 . . . . 123 Asp N . 25172 1 1056 . 1 1 124 124 CYS H H 1 8.423 0.010 . 1 . . . . 124 Cys H . 25172 1 1057 . 1 1 124 124 CYS HA H 1 4.135 0.005 . 1 . . . . 124 Cys HA . 25172 1 1058 . 1 1 124 124 CYS HB2 H 1 2.912 0.000 . 2 . . . . 124 Cys HB2 . 25172 1 1059 . 1 1 124 124 CYS HB3 H 1 3.573 0.000 . 2 . . . . 124 Cys HB3 . 25172 1 1060 . 1 1 124 124 CYS C C 13 172.922 0.000 . 1 . . . . 124 Cys C . 25172 1 1061 . 1 1 124 124 CYS CA C 13 58.800 0.010 . 1 . . . . 124 Cys CA . 25172 1 1062 . 1 1 124 124 CYS CB C 13 41.432 0.059 . 1 . . . . 124 Cys CB . 25172 1 1063 . 1 1 124 124 CYS N N 15 118.024 0.098 . 1 . . . . 124 Cys N . 25172 1 1064 . 1 1 125 125 PRO HA H 1 4.266 0.000 . 1 . . . . 125 Pro HA . 25172 1 1065 . 1 1 125 125 PRO HB2 H 1 1.693 0.000 . 2 . . . . 125 Pro HB2 . 25172 1 1066 . 1 1 125 125 PRO HB3 H 1 2.181 0.000 . 2 . . . . 125 Pro HB3 . 25172 1 1067 . 1 1 125 125 PRO HG2 H 1 2.028 0.000 . 2 . . . . 125 Pro HG2 . 25172 1 1068 . 1 1 125 125 PRO HG3 H 1 1.771 0.000 . 2 . . . . 125 Pro HG3 . 25172 1 1069 . 1 1 125 125 PRO HD2 H 1 3.203 0.000 . 2 . . . . 125 Pro HD2 . 25172 1 1070 . 1 1 125 125 PRO HD3 H 1 3.466 0.000 . 2 . . . . 125 Pro HD3 . 25172 1 1071 . 1 1 125 125 PRO C C 13 178.406 0.000 . 1 . . . . 125 Pro C . 25172 1 1072 . 1 1 125 125 PRO CA C 13 66.192 0.000 . 1 . . . . 125 Pro CA . 25172 1 1073 . 1 1 125 125 PRO CB C 13 30.220 0.000 . 1 . . . . 125 Pro CB . 25172 1 1074 . 1 1 125 125 PRO CG C 13 28.561 0.000 . 1 . . . . 125 Pro CG . 25172 1 1075 . 1 1 125 125 PRO CD C 13 50.711 0.023 . 1 . . . . 125 Pro CD . 25172 1 1076 . 1 1 126 126 GLY H H 1 9.034 0.004 . 1 . . . . 126 Gly H . 25172 1 1077 . 1 1 126 126 GLY HA2 H 1 3.955 0.001 . 2 . . . . 126 Gly HA2 . 25172 1 1078 . 1 1 126 126 GLY HA3 H 1 3.738 0.000 . 2 . . . . 126 Gly HA3 . 25172 1 1079 . 1 1 126 126 GLY C C 13 175.215 0.000 . 1 . . . . 126 Gly C . 25172 1 1080 . 1 1 126 126 GLY CA C 13 45.817 0.000 . 1 . . . . 126 Gly CA . 25172 1 1081 . 1 1 126 126 GLY N N 15 113.908 0.076 . 1 . . . . 126 Gly N . 25172 1 1082 . 1 1 127 127 ASN H H 1 7.610 0.006 . 1 . . . . 127 Asn H . 25172 1 1083 . 1 1 127 127 ASN HA H 1 4.010 0.000 . 1 . . . . 127 Asn HA . 25172 1 1084 . 1 1 127 127 ASN HB2 H 1 1.932 0.000 . 2 . . . . 127 Asn HB2 . 25172 1 1085 . 1 1 127 127 ASN HB3 H 1 2.692 0.000 . 2 . . . . 127 Asn HB3 . 25172 1 1086 . 1 1 127 127 ASN HD21 H 1 6.866 0.000 . 1 . . . . 127 Asn HD21 . 25172 1 1087 . 1 1 127 127 ASN HD22 H 1 8.157 0.000 . 1 . . . . 127 Asn HD22 . 25172 1 1088 . 1 1 127 127 ASN C C 13 174.144 0.000 . 1 . . . . 127 Asn C . 25172 1 1089 . 1 1 127 127 ASN CA C 13 55.475 0.000 . 1 . . . . 127 Asn CA . 25172 1 1090 . 1 1 127 127 ASN CB C 13 39.678 0.000 . 1 . . . . 127 Asn CB . 25172 1 1091 . 1 1 127 127 ASN N N 15 116.147 0.165 . 1 . . . . 127 Asn N . 25172 1 1092 . 1 1 127 127 ASN ND2 N 15 115.936 0.000 . 1 . . . . 127 Asn ND2 . 25172 1 1093 . 1 1 128 128 ASN H H 1 8.181 0.008 . 1 . . . . 128 Asn H . 25172 1 1094 . 1 1 128 128 ASN HA H 1 4.846 0.000 . 1 . . . . 128 Asn HA . 25172 1 1095 . 1 1 128 128 ASN HB2 H 1 2.468 0.000 . 2 . . . . 128 Asn HB2 . 25172 1 1096 . 1 1 128 128 ASN HB3 H 1 1.992 0.000 . 2 . . . . 128 Asn HB3 . 25172 1 1097 . 1 1 128 128 ASN HD21 H 1 6.119 0.000 . 1 . . . . 128 Asn HD21 . 25172 1 1098 . 1 1 128 128 ASN HD22 H 1 6.731 0.000 . 1 . . . . 128 Asn HD22 . 25172 1 1099 . 1 1 128 128 ASN C C 13 174.530 0.000 . 1 . . . . 128 Asn C . 25172 1 1100 . 1 1 128 128 ASN CA C 13 52.301 0.000 . 1 . . . . 128 Asn CA . 25172 1 1101 . 1 1 128 128 ASN CB C 13 39.537 0.000 . 1 . . . . 128 Asn CB . 25172 1 1102 . 1 1 128 128 ASN N N 15 117.056 0.080 . 1 . . . . 128 Asn N . 25172 1 1103 . 1 1 128 128 ASN ND2 N 15 111.405 0.000 . 1 . . . . 128 Asn ND2 . 25172 1 1104 . 1 1 129 129 CYS H H 1 8.660 0.006 . 1 . . . . 129 Cys H . 25172 1 1105 . 1 1 129 129 CYS HA H 1 4.554 0.000 . 1 . . . . 129 Cys HA . 25172 1 1106 . 1 1 129 129 CYS HB2 H 1 2.691 0.000 . 2 . . . . 129 Cys HB2 . 25172 1 1107 . 1 1 129 129 CYS HB3 H 1 2.495 0.000 . 2 . . . . 129 Cys HB3 . 25172 1 1108 . 1 1 129 129 CYS C C 13 175.372 0.000 . 1 . . . . 129 Cys C . 25172 1 1109 . 1 1 129 129 CYS CA C 13 55.215 0.000 . 1 . . . . 129 Cys CA . 25172 1 1110 . 1 1 129 129 CYS CB C 13 37.091 0.000 . 1 . . . . 129 Cys CB . 25172 1 1111 . 1 1 129 129 CYS N N 15 116.207 0.068 . 1 . . . . 129 Cys N . 25172 1 1112 . 1 1 130 130 LYS H H 1 8.261 0.009 . 1 . . . . 130 Lys H . 25172 1 1113 . 1 1 130 130 LYS HA H 1 4.601 0.001 . 1 . . . . 130 Lys HA . 25172 1 1114 . 1 1 130 130 LYS HB2 H 1 1.625 0.007 . 2 . . . . 130 Lys HB2 . 25172 1 1115 . 1 1 130 130 LYS HB3 H 1 1.522 0.012 . 2 . . . . 130 Lys HB3 . 25172 1 1116 . 1 1 130 130 LYS HD3 H 1 1.275 0.012 . 1 . . . . 130 Lys HD3 . 25172 1 1117 . 1 1 130 130 LYS HE3 H 1 2.820 0.000 . 1 . . . . 130 Lys HE3 . 25172 1 1118 . 1 1 130 130 LYS C C 13 176.920 0.000 . 1 . . . . 130 Lys C . 25172 1 1119 . 1 1 130 130 LYS CA C 13 53.959 0.041 . 1 . . . . 130 Lys CA . 25172 1 1120 . 1 1 130 130 LYS CB C 13 34.881 0.064 . 1 . . . . 130 Lys CB . 25172 1 1121 . 1 1 130 130 LYS CD C 13 27.933 0.036 . 1 . . . . 130 Lys CD . 25172 1 1122 . 1 1 130 130 LYS N N 15 124.649 0.106 . 1 . . . . 130 Lys N . 25172 1 1123 . 1 1 131 131 ASN H H 1 8.533 0.005 . 1 . . . . 131 Asn H . 25172 1 1124 . 1 1 131 131 ASN HA H 1 3.980 0.003 . 1 . . . . 131 Asn HA . 25172 1 1125 . 1 1 131 131 ASN HB2 H 1 2.031 0.000 . 2 . . . . 131 Asn HB2 . 25172 1 1126 . 1 1 131 131 ASN HB3 H 1 1.779 0.000 . 2 . . . . 131 Asn HB3 . 25172 1 1127 . 1 1 131 131 ASN HD21 H 1 6.814 0.002 . 1 . . . . 131 Asn HD21 . 25172 1 1128 . 1 1 131 131 ASN HD22 H 1 6.062 0.005 . 1 . . . . 131 Asn HD22 . 25172 1 1129 . 1 1 131 131 ASN C C 13 174.501 0.000 . 1 . . . . 131 Asn C . 25172 1 1130 . 1 1 131 131 ASN CA C 13 54.907 0.031 . 1 . . . . 131 Asn CA . 25172 1 1131 . 1 1 131 131 ASN CB C 13 35.893 0.051 . 1 . . . . 131 Asn CB . 25172 1 1132 . 1 1 131 131 ASN N N 15 112.111 0.141 . 1 . . . . 131 Asn N . 25172 1 1133 . 1 1 131 131 ASN ND2 N 15 116.018 0.116 . 1 . . . . 131 Asn ND2 . 25172 1 1134 . 1 1 132 132 GLY H H 1 8.282 0.009 . 1 . . . . 132 Gly H . 25172 1 1135 . 1 1 132 132 GLY HA2 H 1 4.207 0.008 . 2 . . . . 132 Gly HA2 . 25172 1 1136 . 1 1 132 132 GLY HA3 H 1 3.561 0.008 . 2 . . . . 132 Gly HA3 . 25172 1 1137 . 1 1 132 132 GLY C C 13 176.304 0.000 . 1 . . . . 132 Gly C . 25172 1 1138 . 1 1 132 132 GLY CA C 13 44.948 0.079 . 1 . . . . 132 Gly CA . 25172 1 1139 . 1 1 132 132 GLY N N 15 102.940 0.060 . 1 . . . . 132 Gly N . 25172 1 1140 . 1 1 133 133 GLY H H 1 8.100 0.008 . 1 . . . . 133 Gly H . 25172 1 1141 . 1 1 133 133 GLY HA2 H 1 3.495 0.004 . 2 . . . . 133 Gly HA2 . 25172 1 1142 . 1 1 133 133 GLY HA3 H 1 4.373 0.020 . 2 . . . . 133 Gly HA3 . 25172 1 1143 . 1 1 133 133 GLY C C 13 171.311 0.000 . 1 . . . . 133 Gly C . 25172 1 1144 . 1 1 133 133 GLY CA C 13 46.511 0.024 . 1 . . . . 133 Gly CA . 25172 1 1145 . 1 1 133 133 GLY N N 15 107.882 0.170 . 1 . . . . 133 Gly N . 25172 1 1146 . 1 1 134 134 ALA H H 1 8.300 0.008 . 1 . . . . 134 Ala H . 25172 1 1147 . 1 1 134 134 ALA HA H 1 4.606 0.000 . 1 . . . . 134 Ala HA . 25172 1 1148 . 1 1 134 134 ALA HB1 H 1 1.428 0.009 . 1 . . . . 134 Ala HB1 . 25172 1 1149 . 1 1 134 134 ALA HB2 H 1 1.428 0.009 . 1 . . . . 134 Ala HB2 . 25172 1 1150 . 1 1 134 134 ALA HB3 H 1 1.428 0.009 . 1 . . . . 134 Ala HB3 . 25172 1 1151 . 1 1 134 134 ALA C C 13 176.152 0.000 . 1 . . . . 134 Ala C . 25172 1 1152 . 1 1 134 134 ALA CA C 13 50.458 0.002 . 1 . . . . 134 Ala CA . 25172 1 1153 . 1 1 134 134 ALA CB C 13 21.002 0.094 . 1 . . . . 134 Ala CB . 25172 1 1154 . 1 1 134 134 ALA N N 15 126.820 0.097 . 1 . . . . 134 Ala N . 25172 1 1155 . 1 1 135 135 CYS H H 1 8.945 0.003 . 1 . . . . 135 Cys H . 25172 1 1156 . 1 1 135 135 CYS HA H 1 4.786 0.000 . 1 . . . . 135 Cys HA . 25172 1 1157 . 1 1 135 135 CYS HB2 H 1 2.933 0.011 . 2 . . . . 135 Cys HB2 . 25172 1 1158 . 1 1 135 135 CYS HB3 H 1 2.791 0.000 . 2 . . . . 135 Cys HB3 . 25172 1 1159 . 1 1 135 135 CYS C C 13 173.859 0.000 . 1 . . . . 135 Cys C . 25172 1 1160 . 1 1 135 135 CYS CA C 13 57.951 0.000 . 1 . . . . 135 Cys CA . 25172 1 1161 . 1 1 135 135 CYS CB C 13 43.192 0.069 . 1 . . . . 135 Cys CB . 25172 1 1162 . 1 1 135 135 CYS N N 15 122.946 0.133 . 1 . . . . 135 Cys N . 25172 1 1163 . 1 1 136 136 VAL H H 1 9.531 0.009 . 1 . . . . 136 Val H . 25172 1 1164 . 1 1 136 136 VAL HA H 1 4.258 0.007 . 1 . . . . 136 Val HA . 25172 1 1165 . 1 1 136 136 VAL HB H 1 2.020 0.010 . 1 . . . . 136 Val HB . 25172 1 1166 . 1 1 136 136 VAL HG11 H 1 0.993 0.000 . 2 . . . . 136 Val HG11 . 25172 1 1167 . 1 1 136 136 VAL HG12 H 1 0.993 0.000 . 2 . . . . 136 Val HG12 . 25172 1 1168 . 1 1 136 136 VAL HG13 H 1 0.993 0.000 . 2 . . . . 136 Val HG13 . 25172 1 1169 . 1 1 136 136 VAL HG21 H 1 0.933 0.003 . 2 . . . . 136 Val HG21 . 25172 1 1170 . 1 1 136 136 VAL HG22 H 1 0.933 0.003 . 2 . . . . 136 Val HG22 . 25172 1 1171 . 1 1 136 136 VAL HG23 H 1 0.933 0.003 . 2 . . . . 136 Val HG23 . 25172 1 1172 . 1 1 136 136 VAL C C 13 175.769 0.000 . 1 . . . . 136 Val C . 25172 1 1173 . 1 1 136 136 VAL CA C 13 61.710 0.077 . 1 . . . . 136 Val CA . 25172 1 1174 . 1 1 136 136 VAL CB C 13 33.277 0.043 . 1 . . . . 136 Val CB . 25172 1 1175 . 1 1 136 136 VAL CG1 C 13 21.113 0.000 . 2 . . . . 136 Val CG1 . 25172 1 1176 . 1 1 136 136 VAL CG2 C 13 20.614 0.061 . 2 . . . . 136 Val CG2 . 25172 1 1177 . 1 1 136 136 VAL N N 15 134.274 0.073 . 1 . . . . 136 Val N . 25172 1 1178 . 1 1 137 137 ASP H H 1 9.110 0.007 . 1 . . . . 137 Asp H . 25172 1 1179 . 1 1 137 137 ASP HA H 1 4.519 0.002 . 1 . . . . 137 Asp HA . 25172 1 1180 . 1 1 137 137 ASP HB2 H 1 2.508 0.000 . 2 . . . . 137 Asp HB2 . 25172 1 1181 . 1 1 137 137 ASP HB3 H 1 3.021 0.000 . 2 . . . . 137 Asp HB3 . 25172 1 1182 . 1 1 137 137 ASP C C 13 175.314 0.005 . 1 . . . . 137 Asp C . 25172 1 1183 . 1 1 137 137 ASP CA C 13 57.637 0.024 . 1 . . . . 137 Asp CA . 25172 1 1184 . 1 1 137 137 ASP CB C 13 42.730 0.000 . 1 . . . . 137 Asp CB . 25172 1 1185 . 1 1 137 137 ASP N N 15 128.379 0.163 . 1 . . . . 137 Asp N . 25172 1 1186 . 1 1 138 138 GLY H H 1 8.315 0.011 . 1 . . . . 138 Gly H . 25172 1 1187 . 1 1 138 138 GLY HA2 H 1 3.436 0.013 . 2 . . . . 138 Gly HA2 . 25172 1 1188 . 1 1 138 138 GLY HA3 H 1 4.805 0.000 . 2 . . . . 138 Gly HA3 . 25172 1 1189 . 1 1 138 138 GLY C C 13 174.017 0.000 . 1 . . . . 138 Gly C . 25172 1 1190 . 1 1 138 138 GLY CA C 13 44.153 0.012 . 1 . . . . 138 Gly CA . 25172 1 1191 . 1 1 138 138 GLY N N 15 114.825 0.123 . 1 . . . . 138 Gly N . 25172 1 1192 . 1 1 139 139 VAL H H 1 9.332 0.004 . 1 . . . . 139 Val H . 25172 1 1193 . 1 1 139 139 VAL HA H 1 3.847 0.006 . 1 . . . . 139 Val HA . 25172 1 1194 . 1 1 139 139 VAL HB H 1 2.052 0.001 . 1 . . . . 139 Val HB . 25172 1 1195 . 1 1 139 139 VAL HG11 H 1 0.954 0.000 . 2 . . . . 139 Val HG11 . 25172 1 1196 . 1 1 139 139 VAL HG12 H 1 0.954 0.000 . 2 . . . . 139 Val HG12 . 25172 1 1197 . 1 1 139 139 VAL HG13 H 1 0.954 0.000 . 2 . . . . 139 Val HG13 . 25172 1 1198 . 1 1 139 139 VAL HG21 H 1 0.988 0.011 . 2 . . . . 139 Val HG21 . 25172 1 1199 . 1 1 139 139 VAL HG22 H 1 0.988 0.011 . 2 . . . . 139 Val HG22 . 25172 1 1200 . 1 1 139 139 VAL HG23 H 1 0.988 0.011 . 2 . . . . 139 Val HG23 . 25172 1 1201 . 1 1 139 139 VAL C C 13 173.696 0.000 . 1 . . . . 139 Val C . 25172 1 1202 . 1 1 139 139 VAL CA C 13 63.553 0.056 . 1 . . . . 139 Val CA . 25172 1 1203 . 1 1 139 139 VAL CB C 13 31.173 0.039 . 1 . . . . 139 Val CB . 25172 1 1204 . 1 1 139 139 VAL CG1 C 13 22.035 0.000 . 2 . . . . 139 Val CG1 . 25172 1 1205 . 1 1 139 139 VAL CG2 C 13 21.465 0.000 . 2 . . . . 139 Val CG2 . 25172 1 1206 . 1 1 139 139 VAL N N 15 127.592 0.122 . 1 . . . . 139 Val N . 25172 1 1207 . 1 1 140 140 ASN H H 1 8.802 0.000 . 1 . . . . 140 Asn H . 25172 1 1208 . 1 1 140 140 ASN HA H 1 4.489 0.002 . 1 . . . . 140 Asn HA . 25172 1 1209 . 1 1 140 140 ASN HB2 H 1 2.429 0.006 . 2 . . . . 140 Asn HB2 . 25172 1 1210 . 1 1 140 140 ASN HB3 H 1 3.155 0.000 . 2 . . . . 140 Asn HB3 . 25172 1 1211 . 1 1 140 140 ASN HD21 H 1 6.512 0.000 . 1 . . . . 140 Asn HD21 . 25172 1 1212 . 1 1 140 140 ASN HD22 H 1 7.705 0.000 . 1 . . . . 140 Asn HD22 . 25172 1 1213 . 1 1 140 140 ASN C C 13 173.314 0.000 . 1 . . . . 140 Asn C . 25172 1 1214 . 1 1 140 140 ASN CA C 13 54.104 0.021 . 1 . . . . 140 Asn CA . 25172 1 1215 . 1 1 140 140 ASN CB C 13 38.291 0.052 . 1 . . . . 140 Asn CB . 25172 1 1216 . 1 1 140 140 ASN N N 15 125.738 0.055 . 1 . . . . 140 Asn N . 25172 1 1217 . 1 1 141 141 THR H H 1 7.340 0.006 . 1 . . . . 141 Thr H . 25172 1 1218 . 1 1 141 141 THR HA H 1 4.409 0.000 . 1 . . . . 141 Thr HA . 25172 1 1219 . 1 1 141 141 THR HB H 1 4.351 0.000 . 1 . . . . 141 Thr HB . 25172 1 1220 . 1 1 141 141 THR HG21 H 1 0.847 0.000 . 1 . . . . 141 Thr HG21 . 25172 1 1221 . 1 1 141 141 THR HG22 H 1 0.847 0.000 . 1 . . . . 141 Thr HG22 . 25172 1 1222 . 1 1 141 141 THR HG23 H 1 0.847 0.000 . 1 . . . . 141 Thr HG23 . 25172 1 1223 . 1 1 141 141 THR C C 13 170.623 0.003 . 1 . . . . 141 Thr C . 25172 1 1224 . 1 1 141 141 THR CA C 13 60.095 0.009 . 1 . . . . 141 Thr CA . 25172 1 1225 . 1 1 141 141 THR CB C 13 67.275 0.016 . 1 . . . . 141 Thr CB . 25172 1 1226 . 1 1 141 141 THR CG2 C 13 17.874 0.000 . 1 . . . . 141 Thr CG2 . 25172 1 1227 . 1 1 141 141 THR N N 15 108.419 0.142 . 1 . . . . 141 Thr N . 25172 1 1228 . 1 1 142 142 TYR H H 1 7.774 0.009 . 1 . . . . 142 Tyr H . 25172 1 1229 . 1 1 142 142 TYR HA H 1 5.083 0.000 . 1 . . . . 142 Tyr HA . 25172 1 1230 . 1 1 142 142 TYR HB2 H 1 2.545 0.000 . 2 . . . . 142 Tyr HB2 . 25172 1 1231 . 1 1 142 142 TYR HB3 H 1 3.274 0.000 . 2 . . . . 142 Tyr HB3 . 25172 1 1232 . 1 1 142 142 TYR HD1 H 1 6.849 0.000 . 3 . . . . 142 Tyr HD1 . 25172 1 1233 . 1 1 142 142 TYR HD2 H 1 6.849 0.000 . 3 . . . . 142 Tyr HD2 . 25172 1 1234 . 1 1 142 142 TYR HE1 H 1 7.121 0.000 . 3 . . . . 142 Tyr HE1 . 25172 1 1235 . 1 1 142 142 TYR HE2 H 1 7.121 0.000 . 3 . . . . 142 Tyr HE2 . 25172 1 1236 . 1 1 142 142 TYR C C 13 172.790 0.000 . 1 . . . . 142 Tyr C . 25172 1 1237 . 1 1 142 142 TYR CA C 13 56.298 0.000 . 1 . . . . 142 Tyr CA . 25172 1 1238 . 1 1 142 142 TYR CB C 13 42.056 0.000 . 1 . . . . 142 Tyr CB . 25172 1 1239 . 1 1 142 142 TYR N N 15 114.797 0.144 . 1 . . . . 142 Tyr N . 25172 1 1240 . 1 1 143 143 ASN H H 1 8.893 0.009 . 1 . . . . 143 Asn H . 25172 1 1241 . 1 1 143 143 ASN HA H 1 5.089 0.007 . 1 . . . . 143 Asn HA . 25172 1 1242 . 1 1 143 143 ASN HB2 H 1 2.739 0.016 . 2 . . . . 143 Asn HB2 . 25172 1 1243 . 1 1 143 143 ASN HB3 H 1 2.550 0.002 . 2 . . . . 143 Asn HB3 . 25172 1 1244 . 1 1 143 143 ASN HD21 H 1 6.770 0.000 . 1 . . . . 143 Asn HD21 . 25172 1 1245 . 1 1 143 143 ASN HD22 H 1 7.527 0.000 . 1 . . . . 143 Asn HD22 . 25172 1 1246 . 1 1 143 143 ASN C C 13 173.631 0.000 . 1 . . . . 143 Asn C . 25172 1 1247 . 1 1 143 143 ASN CA C 13 51.830 0.005 . 1 . . . . 143 Asn CA . 25172 1 1248 . 1 1 143 143 ASN CB C 13 42.875 0.068 . 1 . . . . 143 Asn CB . 25172 1 1249 . 1 1 143 143 ASN N N 15 117.081 0.118 . 1 . . . . 143 Asn N . 25172 1 1250 . 1 1 143 143 ASN ND2 N 15 113.141 0.001 . 1 . . . . 143 Asn ND2 . 25172 1 1251 . 1 1 144 144 CYS H H 1 9.252 0.004 . 1 . . . . 144 Cys H . 25172 1 1252 . 1 1 144 144 CYS HA H 1 5.527 0.008 . 1 . . . . 144 Cys HA . 25172 1 1253 . 1 1 144 144 CYS HB2 H 1 2.644 0.009 . 2 . . . . 144 Cys HB2 . 25172 1 1254 . 1 1 144 144 CYS HB3 H 1 3.054 0.007 . 2 . . . . 144 Cys HB3 . 25172 1 1255 . 1 1 144 144 CYS C C 13 173.922 0.000 . 1 . . . . 144 Cys C . 25172 1 1256 . 1 1 144 144 CYS CA C 13 53.225 0.015 . 1 . . . . 144 Cys CA . 25172 1 1257 . 1 1 144 144 CYS CB C 13 41.689 0.079 . 1 . . . . 144 Cys CB . 25172 1 1258 . 1 1 144 144 CYS N N 15 118.290 0.143 . 1 . . . . 144 Cys N . 25172 1 1259 . 1 1 145 145 ARG H H 1 9.777 0.006 . 1 . . . . 145 Arg H . 25172 1 1260 . 1 1 145 145 ARG HA H 1 4.648 0.000 . 1 . . . . 145 Arg HA . 25172 1 1261 . 1 1 145 145 ARG HB2 H 1 1.954 0.010 . 2 . . . . 145 Arg HB2 . 25172 1 1262 . 1 1 145 145 ARG HB3 H 1 1.703 0.009 . 2 . . . . 145 Arg HB3 . 25172 1 1263 . 1 1 145 145 ARG HG2 H 1 1.715 0.000 . 2 . . . . 145 Arg HG2 . 25172 1 1264 . 1 1 145 145 ARG HG3 H 1 1.523 0.000 . 2 . . . . 145 Arg HG3 . 25172 1 1265 . 1 1 145 145 ARG HD3 H 1 3.256 0.002 . 1 . . . . 145 Arg HD3 . 25172 1 1266 . 1 1 145 145 ARG C C 13 176.513 0.000 . 1 . . . . 145 Arg C . 25172 1 1267 . 1 1 145 145 ARG CA C 13 54.998 0.000 . 1 . . . . 145 Arg CA . 25172 1 1268 . 1 1 145 145 ARG CB C 13 30.232 0.097 . 1 . . . . 145 Arg CB . 25172 1 1269 . 1 1 145 145 ARG CG C 13 27.341 0.020 . 1 . . . . 145 Arg CG . 25172 1 1270 . 1 1 145 145 ARG CD C 13 43.473 0.000 . 1 . . . . 145 Arg CD . 25172 1 1271 . 1 1 145 145 ARG N N 15 127.003 0.129 . 1 . . . . 145 Arg N . 25172 1 1272 . 1 1 146 146 CYS H H 1 9.126 0.006 . 1 . . . . 146 Cys H . 25172 1 1273 . 1 1 146 146 CYS HA H 1 5.127 0.009 . 1 . . . . 146 Cys HA . 25172 1 1274 . 1 1 146 146 CYS HB2 H 1 2.747 0.014 . 2 . . . . 146 Cys HB2 . 25172 1 1275 . 1 1 146 146 CYS HB3 H 1 3.418 0.010 . 2 . . . . 146 Cys HB3 . 25172 1 1276 . 1 1 146 146 CYS C C 13 173.418 0.000 . 1 . . . . 146 Cys C . 25172 1 1277 . 1 1 146 146 CYS CA C 13 52.713 0.008 . 1 . . . . 146 Cys CA . 25172 1 1278 . 1 1 146 146 CYS CB C 13 36.289 0.022 . 1 . . . . 146 Cys CB . 25172 1 1279 . 1 1 146 146 CYS N N 15 127.280 0.097 . 1 . . . . 146 Cys N . 25172 1 1280 . 1 1 147 147 PRO HA H 1 3.819 0.000 . 1 . . . . 147 Pro HA . 25172 1 1281 . 1 1 147 147 PRO CD C 13 50.123 0.000 . 1 . . . . 147 Pro CA . 25172 1 1282 . 1 1 148 148 PRO HA H 1 4.319 0.000 . 1 . . . . 148 Pro HA . 25172 1 1283 . 1 1 148 148 PRO HB2 H 1 2.377 0.002 . 2 . . . . 148 Pro HB2 . 25172 1 1284 . 1 1 148 148 PRO HB3 H 1 1.901 0.003 . 2 . . . . 148 Pro HB3 . 25172 1 1285 . 1 1 148 148 PRO HG2 H 1 2.095 0.000 . 1 . . . . 148 Pro HG2 . 25172 1 1286 . 1 1 148 148 PRO HG3 H 1 2.095 0.000 . 1 . . . . 148 Pro HG3 . 25172 1 1287 . 1 1 148 148 PRO HD2 H 1 3.819 0.000 . 1 . . . . 148 Pro HD2 . 25172 1 1288 . 1 1 148 148 PRO HD3 H 1 3.819 0.000 . 1 . . . . 148 Pro HD3 . 25172 1 1289 . 1 1 148 148 PRO C C 13 177.619 0.000 . 1 . . . . 148 Pro C . 25172 1 1290 . 1 1 148 148 PRO CA C 13 65.103 0.009 . 1 . . . . 148 Pro CA . 25172 1 1291 . 1 1 148 148 PRO CB C 13 32.112 0.067 . 1 . . . . 148 Pro CB . 25172 1 1292 . 1 1 148 148 PRO CG C 13 27.635 0.000 . 1 . . . . 148 Pro CG . 25172 1 1293 . 1 1 148 148 PRO CD C 13 50.123 0.000 . 1 . . . . 148 Pro CD . 25172 1 1294 . 1 1 149 149 GLU H H 1 8.705 0.005 . 1 . . . . 149 Glu H . 25172 1 1295 . 1 1 149 149 GLU HA H 1 3.954 0.001 . 1 . . . . 149 Glu HA . 25172 1 1296 . 1 1 149 149 GLU HB2 H 1 1.646 0.000 . 2 . . . . 149 Glu HB2 . 25172 1 1297 . 1 1 149 149 GLU HB3 H 1 1.773 0.000 . 2 . . . . 149 Glu HB3 . 25172 1 1298 . 1 1 149 149 GLU HG2 H 1 2.092 0.000 . 2 . . . . 149 Glu HG2 . 25172 1 1299 . 1 1 149 149 GLU HG3 H 1 2.024 0.000 . 2 . . . . 149 Glu HG3 . 25172 1 1300 . 1 1 149 149 GLU C C 13 175.206 0.000 . 1 . . . . 149 Glu C . 25172 1 1301 . 1 1 149 149 GLU CA C 13 58.168 0.034 . 1 . . . . 149 Glu CA . 25172 1 1302 . 1 1 149 149 GLU CB C 13 28.945 0.000 . 1 . . . . 149 Glu CB . 25172 1 1303 . 1 1 149 149 GLU CG C 13 36.544 0.000 . 1 . . . . 149 Glu CG . 25172 1 1304 . 1 1 149 149 GLU N N 15 114.498 0.085 . 1 . . . . 149 Glu N . 25172 1 1305 . 1 1 150 150 TRP H H 1 8.050 0.006 . 1 . . . . 150 Trp H . 25172 1 1306 . 1 1 150 150 TRP HA H 1 5.078 0.001 . 1 . . . . 150 Trp HA . 25172 1 1307 . 1 1 150 150 TRP HB2 H 1 2.677 0.000 . 2 . . . . 150 Trp HB2 . 25172 1 1308 . 1 1 150 150 TRP HB3 H 1 3.290 0.003 . 2 . . . . 150 Trp HB3 . 25172 1 1309 . 1 1 150 150 TRP HE1 H 1 9.946 0.000 . 1 . . . . 150 Trp HE1 . 25172 1 1310 . 1 1 150 150 TRP C C 13 173.989 0.000 . 1 . . . . 150 Trp C . 25172 1 1311 . 1 1 150 150 TRP CA C 13 56.049 0.031 . 1 . . . . 150 Trp CA . 25172 1 1312 . 1 1 150 150 TRP CB C 13 34.622 0.052 . 1 . . . . 150 Trp CB . 25172 1 1313 . 1 1 150 150 TRP N N 15 121.205 0.057 . 1 . . . . 150 Trp N . 25172 1 1314 . 1 1 150 150 TRP NE1 N 15 127.482 0.000 . 1 . . . . 150 Trp NE1 . 25172 1 1315 . 1 1 151 151 THR H H 1 9.072 0.005 . 1 . . . . 151 Thr H . 25172 1 1316 . 1 1 151 151 THR HA H 1 4.914 0.001 . 1 . . . . 151 Thr HA . 25172 1 1317 . 1 1 151 151 THR HB H 1 4.283 0.001 . 1 . . . . 151 Thr HB . 25172 1 1318 . 1 1 151 151 THR HG21 H 1 1.166 0.000 . 1 . . . . 151 Thr HG21 . 25172 1 1319 . 1 1 151 151 THR HG22 H 1 1.166 0.000 . 1 . . . . 151 Thr HG22 . 25172 1 1320 . 1 1 151 151 THR HG23 H 1 1.166 0.000 . 1 . . . . 151 Thr HG23 . 25172 1 1321 . 1 1 151 151 THR C C 13 174.721 0.000 . 1 . . . . 151 Thr C . 25172 1 1322 . 1 1 151 151 THR CA C 13 59.763 0.005 . 1 . . . . 151 Thr CA . 25172 1 1323 . 1 1 151 151 THR CB C 13 71.189 0.047 . 1 . . . . 151 Thr CB . 25172 1 1324 . 1 1 151 151 THR CG2 C 13 20.347 0.000 . 1 . . . . 151 Thr CG2 . 25172 1 1325 . 1 1 151 151 THR N N 15 113.395 0.056 . 1 . . . . 151 Thr N . 25172 1 1326 . 1 1 152 152 GLY H H 1 8.205 0.005 . 1 . . . . 152 Gly H . 25172 1 1327 . 1 1 152 152 GLY HA2 H 1 3.832 0.002 . 2 . . . . 152 Gly HA2 . 25172 1 1328 . 1 1 152 152 GLY HA3 H 1 4.823 0.003 . 2 . . . . 152 Gly HA3 . 25172 1 1329 . 1 1 152 152 GLY C C 13 175.775 0.000 . 1 . . . . 152 Gly C . 25172 1 1330 . 1 1 152 152 GLY CA C 13 43.862 0.061 . 1 . . . . 152 Gly CA . 25172 1 1331 . 1 1 152 152 GLY N N 15 107.818 0.056 . 1 . . . . 152 Gly N . 25172 1 1332 . 1 1 153 153 GLN H H 1 8.586 0.006 . 1 . . . . 153 Gln H . 25172 1 1333 . 1 1 153 153 GLN HA H 1 3.794 0.003 . 1 . . . . 153 Gln HA . 25172 1 1334 . 1 1 153 153 GLN HB2 H 1 1.345 0.007 . 2 . . . . 153 Gln HB2 . 25172 1 1335 . 1 1 153 153 GLN HB3 H 1 1.847 0.001 . 2 . . . . 153 Gln HB3 . 25172 1 1336 . 1 1 153 153 GLN HG2 H 1 1.381 0.000 . 2 . . . . 153 Gln HG2 . 25172 1 1337 . 1 1 153 153 GLN HG3 H 1 1.764 0.000 . 2 . . . . 153 Gln HG3 . 25172 1 1338 . 1 1 153 153 GLN HE21 H 1 6.611 0.000 . 1 . . . . 153 Gln HE21 . 25172 1 1339 . 1 1 153 153 GLN HE22 H 1 7.029 0.000 . 1 . . . . 153 Gln HE22 . 25172 1 1340 . 1 1 153 153 GLN C C 13 176.260 0.000 . 1 . . . . 153 Gln C . 25172 1 1341 . 1 1 153 153 GLN CA C 13 59.073 0.045 . 1 . . . . 153 Gln CA . 25172 1 1342 . 1 1 153 153 GLN CB C 13 28.837 0.080 . 1 . . . . 153 Gln CB . 25172 1 1343 . 1 1 153 153 GLN CG C 13 32.222 0.000 . 1 . . . . 153 Gln CG . 25172 1 1344 . 1 1 153 153 GLN N N 15 121.170 0.118 . 1 . . . . 153 Gln N . 25172 1 1345 . 1 1 153 153 GLN NE2 N 15 110.537 0.001 . 1 . . . . 153 Gln NE2 . 25172 1 1346 . 1 1 154 154 TYR H H 1 8.933 0.006 . 1 . . . . 154 Tyr H . 25172 1 1347 . 1 1 154 154 TYR HA H 1 5.388 0.008 . 1 . . . . 154 Tyr HA . 25172 1 1348 . 1 1 154 154 TYR HB2 H 1 3.982 0.009 . 2 . . . . 154 Tyr HB2 . 25172 1 1349 . 1 1 154 154 TYR HB3 H 1 2.569 0.007 . 2 . . . . 154 Tyr HB3 . 25172 1 1350 . 1 1 154 154 TYR HD1 H 1 7.124 0.000 . 3 . . . . 154 Tyr HD1 . 25172 1 1351 . 1 1 154 154 TYR HD2 H 1 7.124 0.000 . 3 . . . . 154 Tyr HD2 . 25172 1 1352 . 1 1 154 154 TYR HE1 H 1 6.853 0.000 . 3 . . . . 154 Tyr HE1 . 25172 1 1353 . 1 1 154 154 TYR HE2 H 1 6.853 0.000 . 3 . . . . 154 Tyr HE2 . 25172 1 1354 . 1 1 154 154 TYR C C 13 176.243 0.000 . 1 . . . . 154 Tyr C . 25172 1 1355 . 1 1 154 154 TYR CA C 13 55.421 0.026 . 1 . . . . 154 Tyr CA . 25172 1 1356 . 1 1 154 154 TYR CB C 13 38.743 0.065 . 1 . . . . 154 Tyr CB . 25172 1 1357 . 1 1 154 154 TYR N N 15 113.142 0.161 . 1 . . . . 154 Tyr N . 25172 1 1358 . 1 1 155 155 CYS H H 1 7.652 0.008 . 1 . . . . 155 Cys H . 25172 1 1359 . 1 1 155 155 CYS HA H 1 4.401 0.002 . 1 . . . . 155 Cys HA . 25172 1 1360 . 1 1 155 155 CYS HB2 H 1 3.964 0.003 . 2 . . . . 155 Cys HB2 . 25172 1 1361 . 1 1 155 155 CYS HB3 H 1 2.969 0.000 . 2 . . . . 155 Cys HB3 . 25172 1 1362 . 1 1 155 155 CYS C C 13 174.199 0.000 . 1 . . . . 155 Cys C . 25172 1 1363 . 1 1 155 155 CYS CA C 13 54.594 0.019 . 1 . . . . 155 Cys CA . 25172 1 1364 . 1 1 155 155 CYS CB C 13 34.345 0.042 . 1 . . . . 155 Cys CB . 25172 1 1365 . 1 1 155 155 CYS N N 15 110.786 0.083 . 1 . . . . 155 Cys N . 25172 1 1366 . 1 1 156 156 THR H H 1 7.330 0.008 . 1 . . . . 156 Thr H . 25172 1 1367 . 1 1 156 156 THR HA H 1 4.184 0.010 . 1 . . . . 156 Thr HA . 25172 1 1368 . 1 1 156 156 THR HB H 1 4.601 0.001 . 1 . . . . 156 Thr HB . 25172 1 1369 . 1 1 156 156 THR HG21 H 1 1.033 0.000 . 1 . . . . 156 Thr HG21 . 25172 1 1370 . 1 1 156 156 THR HG22 H 1 1.033 0.000 . 1 . . . . 156 Thr HG22 . 25172 1 1371 . 1 1 156 156 THR HG23 H 1 1.033 0.000 . 1 . . . . 156 Thr HG23 . 25172 1 1372 . 1 1 156 156 THR C C 13 174.582 0.000 . 1 . . . . 156 Thr C . 25172 1 1373 . 1 1 156 156 THR CA C 13 61.420 0.008 . 1 . . . . 156 Thr CA . 25172 1 1374 . 1 1 156 156 THR CB C 13 69.963 0.023 . 1 . . . . 156 Thr CB . 25172 1 1375 . 1 1 156 156 THR CG2 C 13 22.643 0.000 . 1 . . . . 156 Thr CG2 . 25172 1 1376 . 1 1 156 156 THR N N 15 104.193 0.161 . 1 . . . . 156 Thr N . 25172 1 1377 . 1 1 157 157 GLU H H 1 8.826 0.006 . 1 . . . . 157 Glu H . 25172 1 1378 . 1 1 157 157 GLU HA H 1 4.567 0.005 . 1 . . . . 157 Glu HA . 25172 1 1379 . 1 1 157 157 GLU HB2 H 1 2.316 0.000 . 2 . . . . 157 Glu HB2 . 25172 1 1380 . 1 1 157 157 GLU HB3 H 1 2.321 0.006 . 2 . . . . 157 Glu HB3 . 25172 1 1381 . 1 1 157 157 GLU HG2 H 1 2.114 0.000 . 2 . . . . 157 Glu HG2 . 25172 1 1382 . 1 1 157 157 GLU HG3 H 1 1.773 0.000 . 2 . . . . 157 Glu HG3 . 25172 1 1383 . 1 1 157 157 GLU C C 13 181.495 0.000 . 1 . . . . 157 Glu C . 25172 1 1384 . 1 1 157 157 GLU CA C 13 57.603 0.010 . 1 . . . . 157 Glu CA . 25172 1 1385 . 1 1 157 157 GLU CB C 13 31.733 0.000 . 1 . . . . 157 Glu CB . 25172 1 1386 . 1 1 157 157 GLU CG C 13 37.030 0.000 . 1 . . . . 157 Glu CG . 25172 1 1387 . 1 1 157 157 GLU N N 15 128.401 0.185 . 1 . . . . 157 Glu N . 25172 1 stop_ save_