data_19042 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19042 _Entry.Title ; Complete 1H, 13C, and 15N Chemical Shift Assignments for Burkholderia pseudomallei Frataxin like protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-19 _Entry.Accession_date 2013-02-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 Davide Gaudesi . . . 19042 2 Giovanna Musco . . . 19042 3 Giacomo Quilici . . . 19042 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19042 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 365 19042 '15N chemical shifts' 121 19042 '1H chemical shifts' 852 19042 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-05 2013-02-19 update BMRB 'update entry citation' 19042 1 . . 2013-08-14 2013-02-19 original author 'original release' 19042 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 19042 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23616103 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N backbone and side chain NMR resonance assignments of BPSL1050 from Burkholderia pseudomallei.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _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 181 _Citation.Page_last 184 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Davide Gaudesi . . . 19042 1 2 Giacomo Quilici . . . 19042 1 3 Giovanna Musco . . . 19042 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Burkolderia pseudomallei' 19042 1 Melioidosis 19042 1 'NMR resonance assignment' 19042 1 'Unknown function' 19042 1 Vaccine 19042 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19042 _Assembly.ID 1 _Assembly.Name 'Frataxin like monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'Frataxin like monomer' 1 $Frataxin_like A . yes native no no . . . 19042 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Frataxin_like _Entity.Sf_category entity _Entity.Sf_framecode Frataxin_like _Entity.Entry_ID 19042 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Frataxin_like _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 ; GAMGMSPDTARRFDTEFAPR IARAIADLLNHRAHTDVVGY GGHGHPTQVRIVAPHAEHVR GYAHPLNLALTWNTDEIERL MEADGAARFERYLAALPRKL AAWENARGVDFGSRTQADAL VLLGGLDFEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1-4 represent a non-native affinity tag residual sequence.' _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12240 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q63W39 . "Putative uncharacterized protein" . . . . . . . . . . . . . . 19042 1 2 no PDB 2MPE . "Solution Nmr Structure For B. Pseudomallei Bpsl1050" . . . . . 100.00 130 100.00 100.00 3.55e-87 . . . . 19042 1 3 no EMBL CAH35046 . "hypothetical protein BPSL1050 [Burkholderia pseudomallei K96243]" . . . . . 96.92 126 100.00 100.00 3.06e-84 . . . . 19042 1 4 no EMBL CDU27687 . "hypothetical protein BP3921G_10170 [Burkholderia pseudomallei]" . . . . . 96.92 126 99.21 100.00 2.26e-83 . . . . 19042 1 5 no EMBL CFB50711 . "Uncharacterised protein [Burkholderia pseudomallei]" . . . . . 96.92 126 98.41 99.21 1.82e-82 . . . . 19042 1 6 no EMBL CFD85665 . "Uncharacterised protein [Burkholderia pseudomallei]" . . . . . 96.92 126 98.41 99.21 1.82e-82 . . . . 19042 1 7 no EMBL CFD91967 . "Uncharacterised protein [Burkholderia pseudomallei]" . . . . . 96.92 126 97.62 98.41 1.54e-81 . . . . 19042 1 8 no GB AAU48433 . "hypothetical protein BMA3016 [Burkholderia mallei ATCC 23344]" . . . . . 96.92 126 99.21 100.00 2.26e-83 . . . . 19042 1 9 no GB ABA47781 . "hypothetical protein BURPS1710b_1270 [Burkholderia pseudomallei 1710b]" . . . . . 96.92 126 99.21 100.00 2.26e-83 . . . . 19042 1 10 no GB ABM50277 . "hypothetical protein BMASAVP1_A0971 [Burkholderia mallei SAVP1]" . . . . . 96.92 126 99.21 100.00 2.26e-83 . . . . 19042 1 11 no GB ABN00967 . "hypothetical protein BMA10229_A3039 [Burkholderia mallei NCTC 10229]" . . . . . 96.92 126 99.21 100.00 2.26e-83 . . . . 19042 1 12 no GB ABN84691 . "conserved hypothetical protein [Burkholderia pseudomallei 668]" . . . . . 96.92 126 99.21 100.00 2.26e-83 . . . . 19042 1 13 no REF WP_004192184 . "MULTISPECIES: hypothetical protein [Burkholderia]" . . . . . 96.92 126 99.21 100.00 2.26e-83 . . . . 19042 1 14 no REF WP_004534344 . "hypothetical protein [Burkholderia pseudomallei]" . . . . . 96.92 126 98.41 99.21 1.82e-82 . . . . 19042 1 15 no REF WP_004550752 . "hypothetical protein [Burkholderia pseudomallei]" . . . . . 96.92 126 100.00 100.00 3.06e-84 . . . . 19042 1 16 no REF WP_004555425 . "hypothetical protein [Burkholderia pseudomallei]" . . . . . 96.92 126 98.41 99.21 7.75e-83 . . . . 19042 1 17 no REF WP_009919325 . "hypothetical protein [Burkholderia pseudomallei]" . . . . . 96.92 126 98.41 99.21 4.54e-82 . . . . 19042 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19042 1 2 . ALA . 19042 1 3 . MET . 19042 1 4 . GLY . 19042 1 5 . MET . 19042 1 6 . SER . 19042 1 7 . PRO . 19042 1 8 . ASP . 19042 1 9 . THR . 19042 1 10 . ALA . 19042 1 11 . ARG . 19042 1 12 . ARG . 19042 1 13 . PHE . 19042 1 14 . ASP . 19042 1 15 . THR . 19042 1 16 . GLU . 19042 1 17 . PHE . 19042 1 18 . ALA . 19042 1 19 . PRO . 19042 1 20 . ARG . 19042 1 21 . ILE . 19042 1 22 . ALA . 19042 1 23 . ARG . 19042 1 24 . ALA . 19042 1 25 . ILE . 19042 1 26 . ALA . 19042 1 27 . ASP . 19042 1 28 . LEU . 19042 1 29 . LEU . 19042 1 30 . ASN . 19042 1 31 . HIS . 19042 1 32 . ARG . 19042 1 33 . ALA . 19042 1 34 . HIS . 19042 1 35 . THR . 19042 1 36 . ASP . 19042 1 37 . VAL . 19042 1 38 . VAL . 19042 1 39 . GLY . 19042 1 40 . TYR . 19042 1 41 . GLY . 19042 1 42 . GLY . 19042 1 43 . HIS . 19042 1 44 . GLY . 19042 1 45 . HIS . 19042 1 46 . PRO . 19042 1 47 . THR . 19042 1 48 . GLN . 19042 1 49 . VAL . 19042 1 50 . ARG . 19042 1 51 . ILE . 19042 1 52 . VAL . 19042 1 53 . ALA . 19042 1 54 . PRO . 19042 1 55 . HIS . 19042 1 56 . ALA . 19042 1 57 . GLU . 19042 1 58 . HIS . 19042 1 59 . VAL . 19042 1 60 . ARG . 19042 1 61 . GLY . 19042 1 62 . TYR . 19042 1 63 . ALA . 19042 1 64 . HIS . 19042 1 65 . PRO . 19042 1 66 . LEU . 19042 1 67 . ASN . 19042 1 68 . LEU . 19042 1 69 . ALA . 19042 1 70 . LEU . 19042 1 71 . THR . 19042 1 72 . TRP . 19042 1 73 . ASN . 19042 1 74 . THR . 19042 1 75 . ASP . 19042 1 76 . GLU . 19042 1 77 . ILE . 19042 1 78 . GLU . 19042 1 79 . ARG . 19042 1 80 . LEU . 19042 1 81 . MET . 19042 1 82 . GLU . 19042 1 83 . ALA . 19042 1 84 . ASP . 19042 1 85 . GLY . 19042 1 86 . ALA . 19042 1 87 . ALA . 19042 1 88 . ARG . 19042 1 89 . PHE . 19042 1 90 . GLU . 19042 1 91 . ARG . 19042 1 92 . TYR . 19042 1 93 . LEU . 19042 1 94 . ALA . 19042 1 95 . ALA . 19042 1 96 . LEU . 19042 1 97 . PRO . 19042 1 98 . ARG . 19042 1 99 . LYS . 19042 1 100 . LEU . 19042 1 101 . ALA . 19042 1 102 . ALA . 19042 1 103 . TRP . 19042 1 104 . GLU . 19042 1 105 . ASN . 19042 1 106 . ALA . 19042 1 107 . ARG . 19042 1 108 . GLY . 19042 1 109 . VAL . 19042 1 110 . ASP . 19042 1 111 . PHE . 19042 1 112 . GLY . 19042 1 113 . SER . 19042 1 114 . ARG . 19042 1 115 . THR . 19042 1 116 . GLN . 19042 1 117 . ALA . 19042 1 118 . ASP . 19042 1 119 . ALA . 19042 1 120 . LEU . 19042 1 121 . VAL . 19042 1 122 . LEU . 19042 1 123 . LEU . 19042 1 124 . GLY . 19042 1 125 . GLY . 19042 1 126 . LEU . 19042 1 127 . ASP . 19042 1 128 . PHE . 19042 1 129 . GLU . 19042 1 130 . ALA . 19042 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19042 1 . ALA 2 2 19042 1 . MET 3 3 19042 1 . GLY 4 4 19042 1 . MET 5 5 19042 1 . SER 6 6 19042 1 . PRO 7 7 19042 1 . ASP 8 8 19042 1 . THR 9 9 19042 1 . ALA 10 10 19042 1 . ARG 11 11 19042 1 . ARG 12 12 19042 1 . PHE 13 13 19042 1 . ASP 14 14 19042 1 . THR 15 15 19042 1 . GLU 16 16 19042 1 . PHE 17 17 19042 1 . ALA 18 18 19042 1 . PRO 19 19 19042 1 . ARG 20 20 19042 1 . ILE 21 21 19042 1 . ALA 22 22 19042 1 . ARG 23 23 19042 1 . ALA 24 24 19042 1 . ILE 25 25 19042 1 . ALA 26 26 19042 1 . ASP 27 27 19042 1 . LEU 28 28 19042 1 . LEU 29 29 19042 1 . ASN 30 30 19042 1 . HIS 31 31 19042 1 . ARG 32 32 19042 1 . ALA 33 33 19042 1 . HIS 34 34 19042 1 . THR 35 35 19042 1 . ASP 36 36 19042 1 . VAL 37 37 19042 1 . VAL 38 38 19042 1 . GLY 39 39 19042 1 . TYR 40 40 19042 1 . GLY 41 41 19042 1 . GLY 42 42 19042 1 . HIS 43 43 19042 1 . GLY 44 44 19042 1 . HIS 45 45 19042 1 . PRO 46 46 19042 1 . THR 47 47 19042 1 . GLN 48 48 19042 1 . VAL 49 49 19042 1 . ARG 50 50 19042 1 . ILE 51 51 19042 1 . VAL 52 52 19042 1 . ALA 53 53 19042 1 . PRO 54 54 19042 1 . HIS 55 55 19042 1 . ALA 56 56 19042 1 . GLU 57 57 19042 1 . HIS 58 58 19042 1 . VAL 59 59 19042 1 . ARG 60 60 19042 1 . GLY 61 61 19042 1 . TYR 62 62 19042 1 . ALA 63 63 19042 1 . HIS 64 64 19042 1 . PRO 65 65 19042 1 . LEU 66 66 19042 1 . ASN 67 67 19042 1 . LEU 68 68 19042 1 . ALA 69 69 19042 1 . LEU 70 70 19042 1 . THR 71 71 19042 1 . TRP 72 72 19042 1 . ASN 73 73 19042 1 . THR 74 74 19042 1 . ASP 75 75 19042 1 . GLU 76 76 19042 1 . ILE 77 77 19042 1 . GLU 78 78 19042 1 . ARG 79 79 19042 1 . LEU 80 80 19042 1 . MET 81 81 19042 1 . GLU 82 82 19042 1 . ALA 83 83 19042 1 . ASP 84 84 19042 1 . GLY 85 85 19042 1 . ALA 86 86 19042 1 . ALA 87 87 19042 1 . ARG 88 88 19042 1 . PHE 89 89 19042 1 . GLU 90 90 19042 1 . ARG 91 91 19042 1 . TYR 92 92 19042 1 . LEU 93 93 19042 1 . ALA 94 94 19042 1 . ALA 95 95 19042 1 . LEU 96 96 19042 1 . PRO 97 97 19042 1 . ARG 98 98 19042 1 . LYS 99 99 19042 1 . LEU 100 100 19042 1 . ALA 101 101 19042 1 . ALA 102 102 19042 1 . TRP 103 103 19042 1 . GLU 104 104 19042 1 . ASN 105 105 19042 1 . ALA 106 106 19042 1 . ARG 107 107 19042 1 . GLY 108 108 19042 1 . VAL 109 109 19042 1 . ASP 110 110 19042 1 . PHE 111 111 19042 1 . GLY 112 112 19042 1 . SER 113 113 19042 1 . ARG 114 114 19042 1 . THR 115 115 19042 1 . GLN 116 116 19042 1 . ALA 117 117 19042 1 . ASP 118 118 19042 1 . ALA 119 119 19042 1 . LEU 120 120 19042 1 . VAL 121 121 19042 1 . LEU 122 122 19042 1 . LEU 123 123 19042 1 . GLY 124 124 19042 1 . GLY 125 125 19042 1 . LEU 126 126 19042 1 . ASP 127 127 19042 1 . PHE 128 128 19042 1 . GLU 129 129 19042 1 . ALA 130 130 19042 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19042 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Frataxin_like . 28450 organism . 'Burkholderia pseudomallei' 'Burkholderia pseudomallei' . . Bacteria . Burkholderia pseudomallei . . . . . . . . . . . . . . . . BPSL1050 . . . . 19042 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 19042 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Frataxin_like . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pETM-11 . . . . . . 19042 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_not_labeled _Sample.Sf_category sample _Sample.Sf_framecode not_labeled _Sample.Entry_ID 19042 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Frataxin like; potassium phosphate' '[U-100% 1H]' . . 1 $Frataxin_like . . 0.6 . . mM . . . . 19042 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19042 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19042 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19042 1 stop_ save_ save_15N_H2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_H2O _Sample.Entry_ID 19042 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Frataxin like' '[U-99% 15N]' . . 1 $Frataxin_like . . 0.7 . . mM . . . . 19042 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19042 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19042 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19042 2 stop_ save_ save_15N_13C _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C _Sample.Entry_ID 19042 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Frataxin like' '[U-99% 13C; U-99% 15N]' . . 1 $Frataxin_like . . 0.7 . . mM . . . . 19042 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19042 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19042 3 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19042 3 stop_ save_ save_15N_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_D2O _Sample.Entry_ID 19042 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Frataxin like' '[U-99% 15N]' . . 1 $Frataxin_like . . 0.7 . . mM . . . . 19042 4 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19042 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19042 4 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19042 4 stop_ save_ save_15N_13C_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_D2O _Sample.Entry_ID 19042 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Frataxin like' '[U-99% 13C; U-99% 15N]' . . 1 $Frataxin_like . . 0.7 . . mM . . . . 19042 5 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19042 5 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19042 5 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19042 5 stop_ save_ save_not_labeled_D2O _Sample.Sf_category sample _Sample.Sf_framecode not_labeled_D2O _Sample.Entry_ID 19042 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Frataxin like' '[U-100% 1H]' . . 1 $Frataxin_like . . 0.6 . . mM . . . . 19042 6 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19042 6 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19042 6 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19042 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19042 _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 19042 1 pH 6.8 . pH 19042 1 pressure 1 . atm 19042 1 temperature 298 . K 19042 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19042 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19042 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19042 1 processing 19042 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19042 _Software.ID 2 _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' . . 19042 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19042 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 19042 _Software.ID 3 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19042 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19042 3 collection 19042 3 'peak picking' 19042 3 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 19042 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19042 _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 . 600 . . . 19042 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 19042 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $not_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 2 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $not_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 3 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 6 $not_labeled_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 4 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 6 $not_labeled_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 5 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 6 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $15N_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 7 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 5 $15N_13C_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 8 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 5 $15N_13C_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 9 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 10 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 11 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 12 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 13 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 14 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 15 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 5 $15N_13C_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 16 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 17 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 5 $15N_13C_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 18 hbCBcgcdHD no 1 $NMR_spectrometer_expt . . . . . . . . 5 $15N_13C_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 19 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 5 $15N_13C_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19042 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19042 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19042 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19042 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19042 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19042 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 19042 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 19042 1 2 '2D 1H-1H NOESY' . . . 19042 1 3 '2D 1H-1H TOCSY' . . . 19042 1 4 '2D 1H-1H NOESY' . . . 19042 1 5 '2D 1H-15N HSQC' . . . 19042 1 6 '2D 1H-15N HSQC' . . . 19042 1 7 '2D 1H-13C HSQC aliphatic' . . . 19042 1 8 '2D 1H-13C HSQC aromatic' . . . 19042 1 9 '3D CBCA(CO)NH' . . . 19042 1 10 '3D HNCACB' . . . 19042 1 11 '3D HNCA' . . . 19042 1 12 '3D H(CCO)NH' . . . 19042 1 13 '3D HNCO' . . . 19042 1 14 '3D HNHA' . . . 19042 1 15 '3D C(CO)NH' . . . 19042 1 16 '3D 1H-15N NOESY' . . . 19042 1 17 '3D 1H-13C NOESY' . . . 19042 1 18 hbCBcgcdHD . . . 19042 1 19 '3D HCCH-TOCSY' . . . 19042 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.315 0.002 . 1 . . . . 2 ALA HA . 19042 1 2 . 1 1 2 2 ALA HB1 H 1 1.367 0.002 . 1 . . . . 2 ALA HB1 . 19042 1 3 . 1 1 2 2 ALA HB2 H 1 1.367 0.002 . 1 . . . . 2 ALA HB2 . 19042 1 4 . 1 1 2 2 ALA HB3 H 1 1.367 0.002 . 1 . . . . 2 ALA HB3 . 19042 1 5 . 1 1 2 2 ALA C C 13 177.938 0.000 . 1 . . . . 2 ALA C . 19042 1 6 . 1 1 2 2 ALA CA C 13 52.875 0.025 . 1 . . . . 2 ALA CA . 19042 1 7 . 1 1 2 2 ALA CB C 13 19.281 0.061 . 1 . . . . 2 ALA CB . 19042 1 8 . 1 1 3 3 MET H H 1 8.545 0.007 . 1 . . . . 3 MET H . 19042 1 9 . 1 1 3 3 MET HA H 1 4.491 0.010 . 1 . . . . 3 MET HA . 19042 1 10 . 1 1 3 3 MET HB2 H 1 2.015 0.026 . 2 . . . . 3 MET HB2 . 19042 1 11 . 1 1 3 3 MET HB3 H 1 2.005 0.021 . 2 . . . . 3 MET HB3 . 19042 1 12 . 1 1 3 3 MET HG2 H 1 2.518 0.022 . 2 . . . . 3 MET HG2 . 19042 1 13 . 1 1 3 3 MET HG3 H 1 2.559 0.023 . 2 . . . . 3 MET HG3 . 19042 1 14 . 1 1 3 3 MET C C 13 176.576 0.000 . 1 . . . . 3 MET C . 19042 1 15 . 1 1 3 3 MET CA C 13 55.204 0.042 . 1 . . . . 3 MET CA . 19042 1 16 . 1 1 3 3 MET CB C 13 32.715 0.046 . 1 . . . . 3 MET CB . 19042 1 17 . 1 1 3 3 MET N N 15 119.579 0.017 . 1 . . . . 3 MET N . 19042 1 18 . 1 1 4 4 GLY H H 1 8.239 0.016 . 1 . . . . 4 GLY H . 19042 1 19 . 1 1 4 4 GLY HA2 H 1 4.069 0.008 . 2 . . . . 4 GLY HA2 . 19042 1 20 . 1 1 4 4 GLY HA3 H 1 4.071 0.006 . 2 . . . . 4 GLY HA3 . 19042 1 21 . 1 1 4 4 GLY C C 13 173.073 0.000 . 1 . . . . 4 GLY C . 19042 1 22 . 1 1 4 4 GLY CA C 13 44.746 0.067 . 1 . . . . 4 GLY CA . 19042 1 23 . 1 1 4 4 GLY N N 15 110.277 0.064 . 1 . . . . 4 GLY N . 19042 1 24 . 1 1 5 5 MET H H 1 8.129 0.016 . 1 . . . . 5 MET H . 19042 1 25 . 1 1 5 5 MET HA H 1 4.447 0.032 . 1 . . . . 5 MET HA . 19042 1 26 . 1 1 5 5 MET HB2 H 1 1.863 0.008 . 2 . . . . 5 MET HB2 . 19042 1 27 . 1 1 5 5 MET HB3 H 1 1.865 0.009 . 2 . . . . 5 MET HB3 . 19042 1 28 . 1 1 5 5 MET HG2 H 1 2.210 0.005 . 2 . . . . 5 MET HG2 . 19042 1 29 . 1 1 5 5 MET HG3 H 1 2.204 0.009 . 2 . . . . 5 MET HG3 . 19042 1 30 . 1 1 5 5 MET C C 13 175.692 0.000 . 1 . . . . 5 MET C . 19042 1 31 . 1 1 5 5 MET CA C 13 55.053 0.068 . 1 . . . . 5 MET CA . 19042 1 32 . 1 1 5 5 MET CB C 13 34.745 0.053 . 1 . . . . 5 MET CB . 19042 1 33 . 1 1 5 5 MET N N 15 120.405 0.017 . 1 . . . . 5 MET N . 19042 1 34 . 1 1 6 6 SER H H 1 9.097 0.004 . 1 . . . . 6 SER H . 19042 1 35 . 1 1 6 6 SER HA H 1 4.745 0.037 . 1 . . . . 6 SER HA . 19042 1 36 . 1 1 6 6 SER HB2 H 1 4.048 0.007 . 2 . . . . 6 SER HB2 . 19042 1 37 . 1 1 6 6 SER HB3 H 1 4.265 0.010 . 2 . . . . 6 SER HB3 . 19042 1 38 . 1 1 6 6 SER CA C 13 56.490 0.058 . 1 . . . . 6 SER CA . 19042 1 39 . 1 1 6 6 SER CB C 13 62.837 0.133 . 1 . . . . 6 SER CB . 19042 1 40 . 1 1 6 6 SER N N 15 122.463 0.042 . 1 . . . . 6 SER N . 19042 1 41 . 1 1 7 7 PRO HA H 1 4.261 0.010 . 1 . . . . 7 PRO HA . 19042 1 42 . 1 1 7 7 PRO HB2 H 1 2.038 0.007 . 2 . . . . 7 PRO HB2 . 19042 1 43 . 1 1 7 7 PRO HB3 H 1 2.463 0.008 . 2 . . . . 7 PRO HB3 . 19042 1 44 . 1 1 7 7 PRO HG2 H 1 2.209 0.012 . 2 . . . . 7 PRO HG2 . 19042 1 45 . 1 1 7 7 PRO HG3 H 1 2.207 0.011 . 2 . . . . 7 PRO HG3 . 19042 1 46 . 1 1 7 7 PRO HD2 H 1 4.009 0.015 . 2 . . . . 7 PRO HD2 . 19042 1 47 . 1 1 7 7 PRO HD3 H 1 4.008 0.013 . 2 . . . . 7 PRO HD3 . 19042 1 48 . 1 1 7 7 PRO C C 13 179.406 0.000 . 1 . . . . 7 PRO C . 19042 1 49 . 1 1 7 7 PRO CA C 13 65.396 0.048 . 1 . . . . 7 PRO CA . 19042 1 50 . 1 1 7 7 PRO CB C 13 31.972 0.077 . 1 . . . . 7 PRO CB . 19042 1 51 . 1 1 8 8 ASP H H 1 8.282 0.005 . 1 . . . . 8 ASP H . 19042 1 52 . 1 1 8 8 ASP HA H 1 4.462 0.006 . 1 . . . . 8 ASP HA . 19042 1 53 . 1 1 8 8 ASP HB2 H 1 2.625 0.015 . 2 . . . . 8 ASP HB2 . 19042 1 54 . 1 1 8 8 ASP HB3 H 1 3.110 0.006 . 2 . . . . 8 ASP HB3 . 19042 1 55 . 1 1 8 8 ASP C C 13 178.221 0.000 . 1 . . . . 8 ASP C . 19042 1 56 . 1 1 8 8 ASP CA C 13 57.225 0.053 . 1 . . . . 8 ASP CA . 19042 1 57 . 1 1 8 8 ASP CB C 13 40.812 0.033 . 1 . . . . 8 ASP CB . 19042 1 58 . 1 1 8 8 ASP N N 15 117.774 0.049 . 1 . . . . 8 ASP N . 19042 1 59 . 1 1 9 9 THR H H 1 7.549 0.010 . 1 . . . . 9 THR H . 19042 1 60 . 1 1 9 9 THR HA H 1 3.915 0.020 . 1 . . . . 9 THR HA . 19042 1 61 . 1 1 9 9 THR HB H 1 4.214 0.014 . 1 . . . . 9 THR HB . 19042 1 62 . 1 1 9 9 THR HG1 H 1 1.831 0.008 . 1 . . . . 9 THR HG1 . 19042 1 63 . 1 1 9 9 THR HG21 H 1 1.147 0.008 . 1 . . . . 9 THR HG21 . 19042 1 64 . 1 1 9 9 THR HG22 H 1 1.147 0.008 . 1 . . . . 9 THR HG22 . 19042 1 65 . 1 1 9 9 THR HG23 H 1 1.147 0.008 . 1 . . . . 9 THR HG23 . 19042 1 66 . 1 1 9 9 THR C C 13 175.557 0.000 . 1 . . . . 9 THR C . 19042 1 67 . 1 1 9 9 THR CA C 13 66.236 0.052 . 1 . . . . 9 THR CA . 19042 1 68 . 1 1 9 9 THR CB C 13 68.097 0.013 . 1 . . . . 9 THR CB . 19042 1 69 . 1 1 9 9 THR N N 15 120.231 0.031 . 1 . . . . 9 THR N . 19042 1 70 . 1 1 10 10 ALA H H 1 7.976 0.008 . 1 . . . . 10 ALA H . 19042 1 71 . 1 1 10 10 ALA HA H 1 3.838 0.014 . 1 . . . . 10 ALA HA . 19042 1 72 . 1 1 10 10 ALA HB1 H 1 0.996 0.009 . 1 . . . . 10 ALA HB1 . 19042 1 73 . 1 1 10 10 ALA HB2 H 1 0.996 0.009 . 1 . . . . 10 ALA HB2 . 19042 1 74 . 1 1 10 10 ALA HB3 H 1 0.996 0.009 . 1 . . . . 10 ALA HB3 . 19042 1 75 . 1 1 10 10 ALA C C 13 178.773 0.000 . 1 . . . . 10 ALA C . 19042 1 76 . 1 1 10 10 ALA CA C 13 55.549 0.045 . 1 . . . . 10 ALA CA . 19042 1 77 . 1 1 10 10 ALA CB C 13 18.147 0.012 . 1 . . . . 10 ALA CB . 19042 1 78 . 1 1 10 10 ALA N N 15 124.148 0.036 . 1 . . . . 10 ALA N . 19042 1 79 . 1 1 11 11 ARG H H 1 8.002 0.003 . 1 . . . . 11 ARG H . 19042 1 80 . 1 1 11 11 ARG HA H 1 4.201 0.005 . 1 . . . . 11 ARG HA . 19042 1 81 . 1 1 11 11 ARG HB2 H 1 1.798 0.016 . 2 . . . . 11 ARG HB2 . 19042 1 82 . 1 1 11 11 ARG HB3 H 1 2.006 0.006 . 2 . . . . 11 ARG HB3 . 19042 1 83 . 1 1 11 11 ARG HG2 H 1 1.608 0.014 . 2 . . . . 11 ARG HG2 . 19042 1 84 . 1 1 11 11 ARG HG3 H 1 1.608 0.014 . 2 . . . . 11 ARG HG3 . 19042 1 85 . 1 1 11 11 ARG HD2 H 1 3.286 0.017 . 2 . . . . 11 ARG HD2 . 19042 1 86 . 1 1 11 11 ARG HD3 H 1 3.292 0.015 . 2 . . . . 11 ARG HD3 . 19042 1 87 . 1 1 11 11 ARG C C 13 180.497 0.000 . 1 . . . . 11 ARG C . 19042 1 88 . 1 1 11 11 ARG CA C 13 59.353 0.044 . 1 . . . . 11 ARG CA . 19042 1 89 . 1 1 11 11 ARG CB C 13 29.869 0.051 . 1 . . . . 11 ARG CB . 19042 1 90 . 1 1 11 11 ARG N N 15 117.384 0.062 . 1 . . . . 11 ARG N . 19042 1 91 . 1 1 12 12 ARG H H 1 8.203 0.011 . 1 . . . . 12 ARG H . 19042 1 92 . 1 1 12 12 ARG HA H 1 3.994 0.012 . 1 . . . . 12 ARG HA . 19042 1 93 . 1 1 12 12 ARG HB2 H 1 1.926 0.011 . 2 . . . . 12 ARG HB2 . 19042 1 94 . 1 1 12 12 ARG HB3 H 1 2.050 0.016 . 2 . . . . 12 ARG HB3 . 19042 1 95 . 1 1 12 12 ARG HG2 H 1 1.552 0.014 . 2 . . . . 12 ARG HG2 . 19042 1 96 . 1 1 12 12 ARG HG3 H 1 1.552 0.014 . 2 . . . . 12 ARG HG3 . 19042 1 97 . 1 1 12 12 ARG HD2 H 1 3.273 0.010 . 2 . . . . 12 ARG HD2 . 19042 1 98 . 1 1 12 12 ARG HD3 H 1 3.274 0.011 . 2 . . . . 12 ARG HD3 . 19042 1 99 . 1 1 12 12 ARG C C 13 179.570 0.000 . 1 . . . . 12 ARG C . 19042 1 100 . 1 1 12 12 ARG CA C 13 60.790 0.050 . 1 . . . . 12 ARG CA . 19042 1 101 . 1 1 12 12 ARG CB C 13 30.282 0.067 . 1 . . . . 12 ARG CB . 19042 1 102 . 1 1 12 12 ARG N N 15 121.124 0.018 . 1 . . . . 12 ARG N . 19042 1 103 . 1 1 13 13 PHE H H 1 9.046 0.015 . 1 . . . . 13 PHE H . 19042 1 104 . 1 1 13 13 PHE HA H 1 4.328 0.011 . 1 . . . . 13 PHE HA . 19042 1 105 . 1 1 13 13 PHE HB2 H 1 2.843 0.005 . 2 . . . . 13 PHE HB2 . 19042 1 106 . 1 1 13 13 PHE HB3 H 1 3.270 0.006 . 2 . . . . 13 PHE HB3 . 19042 1 107 . 1 1 13 13 PHE HD1 H 1 7.036 0.010 . 3 . . . . 13 PHE HD1 . 19042 1 108 . 1 1 13 13 PHE HD2 H 1 7.036 0.010 . 3 . . . . 13 PHE HD2 . 19042 1 109 . 1 1 13 13 PHE HE1 H 1 7.021 0.011 . 3 . . . . 13 PHE HE1 . 19042 1 110 . 1 1 13 13 PHE HE2 H 1 7.021 0.011 . 3 . . . . 13 PHE HE2 . 19042 1 111 . 1 1 13 13 PHE HZ H 1 6.481 0.008 . 1 . . . . 13 PHE HZ . 19042 1 112 . 1 1 13 13 PHE C C 13 177.566 0.000 . 1 . . . . 13 PHE C . 19042 1 113 . 1 1 13 13 PHE CA C 13 63.615 0.043 . 1 . . . . 13 PHE CA . 19042 1 114 . 1 1 13 13 PHE CB C 13 38.743 0.065 . 1 . . . . 13 PHE CB . 19042 1 115 . 1 1 13 13 PHE N N 15 122.809 0.042 . 1 . . . . 13 PHE N . 19042 1 116 . 1 1 14 14 ASP H H 1 8.820 0.006 . 1 . . . . 14 ASP H . 19042 1 117 . 1 1 14 14 ASP HA H 1 4.288 0.010 . 1 . . . . 14 ASP HA . 19042 1 118 . 1 1 14 14 ASP HB2 H 1 2.915 0.017 . 2 . . . . 14 ASP HB2 . 19042 1 119 . 1 1 14 14 ASP HB3 H 1 2.543 0.004 . 2 . . . . 14 ASP HB3 . 19042 1 120 . 1 1 14 14 ASP C C 13 177.487 0.000 . 1 . . . . 14 ASP C . 19042 1 121 . 1 1 14 14 ASP CA C 13 58.112 0.069 . 1 . . . . 14 ASP CA . 19042 1 122 . 1 1 14 14 ASP CB C 13 40.886 0.016 . 1 . . . . 14 ASP CB . 19042 1 123 . 1 1 14 14 ASP N N 15 119.890 0.022 . 1 . . . . 14 ASP N . 19042 1 124 . 1 1 15 15 THR H H 1 7.825 0.007 . 1 . . . . 15 THR H . 19042 1 125 . 1 1 15 15 THR HA H 1 4.388 0.011 . 1 . . . . 15 THR HA . 19042 1 126 . 1 1 15 15 THR HB H 1 4.199 0.006 . 1 . . . . 15 THR HB . 19042 1 127 . 1 1 15 15 THR HG21 H 1 1.310 0.005 . 1 . . . . 15 THR HG21 . 19042 1 128 . 1 1 15 15 THR HG22 H 1 1.310 0.005 . 1 . . . . 15 THR HG22 . 19042 1 129 . 1 1 15 15 THR HG23 H 1 1.310 0.005 . 1 . . . . 15 THR HG23 . 19042 1 130 . 1 1 15 15 THR C C 13 175.940 0.000 . 1 . . . . 15 THR C . 19042 1 131 . 1 1 15 15 THR CA C 13 63.328 0.105 . 1 . . . . 15 THR CA . 19042 1 132 . 1 1 15 15 THR CB C 13 70.950 0.051 . 1 . . . . 15 THR CB . 19042 1 133 . 1 1 15 15 THR N N 15 106.555 0.031 . 1 . . . . 15 THR N . 19042 1 134 . 1 1 16 16 GLU H H 1 8.509 0.006 . 1 . . . . 16 GLU H . 19042 1 135 . 1 1 16 16 GLU HA H 1 4.336 0.012 . 1 . . . . 16 GLU HA . 19042 1 136 . 1 1 16 16 GLU HB2 H 1 1.807 0.011 . 2 . . . . 16 GLU HB2 . 19042 1 137 . 1 1 16 16 GLU HB3 H 1 1.518 0.012 . 2 . . . . 16 GLU HB3 . 19042 1 138 . 1 1 16 16 GLU HG2 H 1 2.096 0.012 . 2 . . . . 16 GLU HG2 . 19042 1 139 . 1 1 16 16 GLU HG3 H 1 1.809 0.009 . 2 . . . . 16 GLU HG3 . 19042 1 140 . 1 1 16 16 GLU C C 13 176.769 0.000 . 1 . . . . 16 GLU C . 19042 1 141 . 1 1 16 16 GLU CA C 13 57.092 0.071 . 1 . . . . 16 GLU CA . 19042 1 142 . 1 1 16 16 GLU CB C 13 31.143 0.127 . 1 . . . . 16 GLU CB . 19042 1 143 . 1 1 16 16 GLU N N 15 120.763 0.026 . 1 . . . . 16 GLU N . 19042 1 144 . 1 1 17 17 PHE H H 1 6.927 0.005 . 1 . . . . 17 PHE H . 19042 1 145 . 1 1 17 17 PHE HA H 1 4.151 0.010 . 1 . . . . 17 PHE HA . 19042 1 146 . 1 1 17 17 PHE HB2 H 1 2.498 0.009 . 2 . . . . 17 PHE HB2 . 19042 1 147 . 1 1 17 17 PHE HB3 H 1 2.030 0.008 . 2 . . . . 17 PHE HB3 . 19042 1 148 . 1 1 17 17 PHE HD1 H 1 5.791 0.015 . 3 . . . . 17 PHE HD1 . 19042 1 149 . 1 1 17 17 PHE HD2 H 1 5.791 0.015 . 3 . . . . 17 PHE HD2 . 19042 1 150 . 1 1 17 17 PHE HE1 H 1 6.755 0.013 . 3 . . . . 17 PHE HE1 . 19042 1 151 . 1 1 17 17 PHE HE2 H 1 6.755 0.013 . 3 . . . . 17 PHE HE2 . 19042 1 152 . 1 1 17 17 PHE HZ H 1 7.023 0.010 . 1 . . . . 17 PHE HZ . 19042 1 153 . 1 1 17 17 PHE C C 13 176.349 0.000 . 1 . . . . 17 PHE C . 19042 1 154 . 1 1 17 17 PHE CA C 13 59.882 0.029 . 1 . . . . 17 PHE CA . 19042 1 155 . 1 1 17 17 PHE CB C 13 41.195 0.075 . 1 . . . . 17 PHE CB . 19042 1 156 . 1 1 17 17 PHE N N 15 116.452 0.021 . 1 . . . . 17 PHE N . 19042 1 157 . 1 1 18 18 ALA H H 1 8.779 0.004 . 1 . . . . 18 ALA H . 19042 1 158 . 1 1 18 18 ALA HA H 1 3.650 0.010 . 1 . . . . 18 ALA HA . 19042 1 159 . 1 1 18 18 ALA HB1 H 1 0.974 0.011 . 1 . . . . 18 ALA HB1 . 19042 1 160 . 1 1 18 18 ALA HB2 H 1 0.974 0.011 . 1 . . . . 18 ALA HB2 . 19042 1 161 . 1 1 18 18 ALA HB3 H 1 0.974 0.011 . 1 . . . . 18 ALA HB3 . 19042 1 162 . 1 1 18 18 ALA CA C 13 56.998 0.085 . 1 . . . . 18 ALA CA . 19042 1 163 . 1 1 18 18 ALA CB C 13 15.617 0.050 . 1 . . . . 18 ALA CB . 19042 1 164 . 1 1 18 18 ALA N N 15 123.967 0.032 . 1 . . . . 18 ALA N . 19042 1 165 . 1 1 19 19 PRO HA H 1 4.162 0.016 . 1 . . . . 19 PRO HA . 19042 1 166 . 1 1 19 19 PRO HB2 H 1 1.737 0.048 . 2 . . . . 19 PRO HB2 . 19042 1 167 . 1 1 19 19 PRO HB3 H 1 2.392 0.043 . 2 . . . . 19 PRO HB3 . 19042 1 168 . 1 1 19 19 PRO HG2 H 1 1.846 0.011 . 2 . . . . 19 PRO HG2 . 19042 1 169 . 1 1 19 19 PRO HG3 H 1 2.029 0.008 . 2 . . . . 19 PRO HG3 . 19042 1 170 . 1 1 19 19 PRO C C 13 179.404 0.000 . 1 . . . . 19 PRO C . 19042 1 171 . 1 1 19 19 PRO CA C 13 66.077 0.065 . 1 . . . . 19 PRO CA . 19042 1 172 . 1 1 19 19 PRO CB C 13 31.041 0.151 . 1 . . . . 19 PRO CB . 19042 1 173 . 1 1 20 20 ARG H H 1 7.059 0.005 . 1 . . . . 20 ARG H . 19042 1 174 . 1 1 20 20 ARG HA H 1 4.116 0.008 . 1 . . . . 20 ARG HA . 19042 1 175 . 1 1 20 20 ARG HB2 H 1 1.953 0.015 . 2 . . . . 20 ARG HB2 . 19042 1 176 . 1 1 20 20 ARG HB3 H 1 1.954 0.015 . 2 . . . . 20 ARG HB3 . 19042 1 177 . 1 1 20 20 ARG HG2 H 1 1.707 0.018 . 2 . . . . 20 ARG HG2 . 19042 1 178 . 1 1 20 20 ARG HG3 H 1 1.709 0.018 . 2 . . . . 20 ARG HG3 . 19042 1 179 . 1 1 20 20 ARG HD2 H 1 3.298 0.015 . 2 . . . . 20 ARG HD2 . 19042 1 180 . 1 1 20 20 ARG HD3 H 1 3.294 0.015 . 2 . . . . 20 ARG HD3 . 19042 1 181 . 1 1 20 20 ARG C C 13 176.771 0.000 . 1 . . . . 20 ARG C . 19042 1 182 . 1 1 20 20 ARG CA C 13 59.712 0.016 . 1 . . . . 20 ARG CA . 19042 1 183 . 1 1 20 20 ARG CB C 13 30.731 0.002 . 1 . . . . 20 ARG CB . 19042 1 184 . 1 1 20 20 ARG N N 15 115.113 0.059 . 1 . . . . 20 ARG N . 19042 1 185 . 1 1 21 21 ILE H H 1 7.877 0.004 . 1 . . . . 21 ILE H . 19042 1 186 . 1 1 21 21 ILE HA H 1 3.645 0.015 . 1 . . . . 21 ILE HA . 19042 1 187 . 1 1 21 21 ILE HB H 1 2.207 0.010 . 1 . . . . 21 ILE HB . 19042 1 188 . 1 1 21 21 ILE HG12 H 1 1.101 0.010 . 2 . . . . 21 ILE HG12 . 19042 1 189 . 1 1 21 21 ILE HG13 H 1 1.102 0.010 . 2 . . . . 21 ILE HG13 . 19042 1 190 . 1 1 21 21 ILE HG21 H 1 1.349 0.012 . 1 . . . . 21 ILE HG21 . 19042 1 191 . 1 1 21 21 ILE HG22 H 1 1.349 0.012 . 1 . . . . 21 ILE HG22 . 19042 1 192 . 1 1 21 21 ILE HG23 H 1 1.349 0.012 . 1 . . . . 21 ILE HG23 . 19042 1 193 . 1 1 21 21 ILE HD11 H 1 0.732 0.018 . 1 . . . . 21 ILE HD11 . 19042 1 194 . 1 1 21 21 ILE HD12 H 1 0.732 0.018 . 1 . . . . 21 ILE HD12 . 19042 1 195 . 1 1 21 21 ILE HD13 H 1 0.732 0.018 . 1 . . . . 21 ILE HD13 . 19042 1 196 . 1 1 21 21 ILE C C 13 177.399 0.000 . 1 . . . . 21 ILE C . 19042 1 197 . 1 1 21 21 ILE CA C 13 65.982 0.059 . 1 . . . . 21 ILE CA . 19042 1 198 . 1 1 21 21 ILE CB C 13 38.689 0.068 . 1 . . . . 21 ILE CB . 19042 1 199 . 1 1 21 21 ILE N N 15 122.111 0.031 . 1 . . . . 21 ILE N . 19042 1 200 . 1 1 22 22 ALA H H 1 8.231 0.004 . 1 . . . . 22 ALA H . 19042 1 201 . 1 1 22 22 ALA HA H 1 3.795 0.004 . 1 . . . . 22 ALA HA . 19042 1 202 . 1 1 22 22 ALA HB1 H 1 1.424 0.011 . 1 . . . . 22 ALA HB1 . 19042 1 203 . 1 1 22 22 ALA HB2 H 1 1.424 0.011 . 1 . . . . 22 ALA HB2 . 19042 1 204 . 1 1 22 22 ALA HB3 H 1 1.424 0.011 . 1 . . . . 22 ALA HB3 . 19042 1 205 . 1 1 22 22 ALA C C 13 181.078 0.000 . 1 . . . . 22 ALA C . 19042 1 206 . 1 1 22 22 ALA CA C 13 56.225 0.041 . 1 . . . . 22 ALA CA . 19042 1 207 . 1 1 22 22 ALA CB C 13 17.523 0.049 . 1 . . . . 22 ALA CB . 19042 1 208 . 1 1 22 22 ALA N N 15 120.862 0.034 . 1 . . . . 22 ALA N . 19042 1 209 . 1 1 23 23 ARG H H 1 8.375 0.004 . 1 . . . . 23 ARG H . 19042 1 210 . 1 1 23 23 ARG HA H 1 4.105 0.006 . 1 . . . . 23 ARG HA . 19042 1 211 . 1 1 23 23 ARG HB2 H 1 1.940 0.012 . 2 . . . . 23 ARG HB2 . 19042 1 212 . 1 1 23 23 ARG HB3 H 1 1.939 0.012 . 2 . . . . 23 ARG HB3 . 19042 1 213 . 1 1 23 23 ARG HG2 H 1 1.688 0.017 . 2 . . . . 23 ARG HG2 . 19042 1 214 . 1 1 23 23 ARG HG3 H 1 1.674 0.002 . 2 . . . . 23 ARG HG3 . 19042 1 215 . 1 1 23 23 ARG HD2 H 1 3.236 0.005 . 2 . . . . 23 ARG HD2 . 19042 1 216 . 1 1 23 23 ARG HD3 H 1 3.236 0.004 . 2 . . . . 23 ARG HD3 . 19042 1 217 . 1 1 23 23 ARG C C 13 177.643 0.000 . 1 . . . . 23 ARG C . 19042 1 218 . 1 1 23 23 ARG CA C 13 59.233 0.134 . 1 . . . . 23 ARG CA . 19042 1 219 . 1 1 23 23 ARG CB C 13 30.412 0.078 . 1 . . . . 23 ARG CB . 19042 1 220 . 1 1 23 23 ARG N N 15 120.658 0.040 . 1 . . . . 23 ARG N . 19042 1 221 . 1 1 24 24 ALA H H 1 7.881 0.004 . 1 . . . . 24 ALA H . 19042 1 222 . 1 1 24 24 ALA HA H 1 4.246 0.012 . 1 . . . . 24 ALA HA . 19042 1 223 . 1 1 24 24 ALA HB1 H 1 1.509 0.017 . 1 . . . . 24 ALA HB1 . 19042 1 224 . 1 1 24 24 ALA HB2 H 1 1.509 0.017 . 1 . . . . 24 ALA HB2 . 19042 1 225 . 1 1 24 24 ALA HB3 H 1 1.509 0.017 . 1 . . . . 24 ALA HB3 . 19042 1 226 . 1 1 24 24 ALA C C 13 181.290 0.000 . 1 . . . . 24 ALA C . 19042 1 227 . 1 1 24 24 ALA CA C 13 54.970 0.072 . 1 . . . . 24 ALA CA . 19042 1 228 . 1 1 24 24 ALA CB C 13 18.902 0.020 . 1 . . . . 24 ALA CB . 19042 1 229 . 1 1 24 24 ALA N N 15 122.165 0.021 . 1 . . . . 24 ALA N . 19042 1 230 . 1 1 25 25 ILE H H 1 8.300 0.005 . 1 . . . . 25 ILE H . 19042 1 231 . 1 1 25 25 ILE HA H 1 3.519 0.012 . 1 . . . . 25 ILE HA . 19042 1 232 . 1 1 25 25 ILE HB H 1 1.801 0.010 . 1 . . . . 25 ILE HB . 19042 1 233 . 1 1 25 25 ILE HG12 H 1 2.201 0.018 . 2 . . . . 25 ILE HG12 . 19042 1 234 . 1 1 25 25 ILE HG13 H 1 2.205 0.016 . 2 . . . . 25 ILE HG13 . 19042 1 235 . 1 1 25 25 ILE HG21 H 1 0.770 0.015 . 1 . . . . 25 ILE HG21 . 19042 1 236 . 1 1 25 25 ILE HG22 H 1 0.770 0.015 . 1 . . . . 25 ILE HG22 . 19042 1 237 . 1 1 25 25 ILE HG23 H 1 0.770 0.015 . 1 . . . . 25 ILE HG23 . 19042 1 238 . 1 1 25 25 ILE HD11 H 1 0.977 0.009 . 1 . . . . 25 ILE HD11 . 19042 1 239 . 1 1 25 25 ILE HD12 H 1 0.977 0.009 . 1 . . . . 25 ILE HD12 . 19042 1 240 . 1 1 25 25 ILE HD13 H 1 0.977 0.009 . 1 . . . . 25 ILE HD13 . 19042 1 241 . 1 1 25 25 ILE C C 13 179.972 0.000 . 1 . . . . 25 ILE C . 19042 1 242 . 1 1 25 25 ILE CA C 13 66.205 0.059 . 1 . . . . 25 ILE CA . 19042 1 243 . 1 1 25 25 ILE CB C 13 37.996 0.049 . 1 . . . . 25 ILE CB . 19042 1 244 . 1 1 25 25 ILE N N 15 118.117 0.015 . 1 . . . . 25 ILE N . 19042 1 245 . 1 1 26 26 ALA H H 1 7.881 0.006 . 1 . . . . 26 ALA H . 19042 1 246 . 1 1 26 26 ALA HA H 1 3.668 0.011 . 1 . . . . 26 ALA HA . 19042 1 247 . 1 1 26 26 ALA HB1 H 1 1.505 0.015 . 1 . . . . 26 ALA HB1 . 19042 1 248 . 1 1 26 26 ALA HB2 H 1 1.505 0.015 . 1 . . . . 26 ALA HB2 . 19042 1 249 . 1 1 26 26 ALA HB3 H 1 1.505 0.015 . 1 . . . . 26 ALA HB3 . 19042 1 250 . 1 1 26 26 ALA C C 13 180.130 0.000 . 1 . . . . 26 ALA C . 19042 1 251 . 1 1 26 26 ALA CA C 13 56.154 0.050 . 1 . . . . 26 ALA CA . 19042 1 252 . 1 1 26 26 ALA CB C 13 17.902 0.077 . 1 . . . . 26 ALA CB . 19042 1 253 . 1 1 26 26 ALA N N 15 122.137 0.039 . 1 . . . . 26 ALA N . 19042 1 254 . 1 1 27 27 ASP H H 1 8.153 0.006 . 1 . . . . 27 ASP H . 19042 1 255 . 1 1 27 27 ASP HA H 1 4.163 0.021 . 1 . . . . 27 ASP HA . 19042 1 256 . 1 1 27 27 ASP HB2 H 1 2.730 0.029 . 2 . . . . 27 ASP HB2 . 19042 1 257 . 1 1 27 27 ASP HB3 H 1 2.818 0.024 . 2 . . . . 27 ASP HB3 . 19042 1 258 . 1 1 27 27 ASP C C 13 180.529 0.000 . 1 . . . . 27 ASP C . 19042 1 259 . 1 1 27 27 ASP CA C 13 57.546 0.090 . 1 . . . . 27 ASP CA . 19042 1 260 . 1 1 27 27 ASP CB C 13 40.436 0.044 . 1 . . . . 27 ASP CB . 19042 1 261 . 1 1 27 27 ASP N N 15 118.074 0.163 . 1 . . . . 27 ASP N . 19042 1 262 . 1 1 28 28 LEU H H 1 7.923 0.010 . 1 . . . . 28 LEU H . 19042 1 263 . 1 1 28 28 LEU HA H 1 4.100 0.010 . 1 . . . . 28 LEU HA . 19042 1 264 . 1 1 28 28 LEU HB2 H 1 1.868 0.007 . 2 . . . . 28 LEU HB2 . 19042 1 265 . 1 1 28 28 LEU HB3 H 1 1.400 0.014 . 2 . . . . 28 LEU HB3 . 19042 1 266 . 1 1 28 28 LEU HG H 1 1.877 0.010 . 1 . . . . 28 LEU HG . 19042 1 267 . 1 1 28 28 LEU HD11 H 1 0.712 0.014 . 2 . . . . 28 LEU HD11 . 19042 1 268 . 1 1 28 28 LEU HD12 H 1 0.712 0.014 . 2 . . . . 28 LEU HD12 . 19042 1 269 . 1 1 28 28 LEU HD13 H 1 0.712 0.014 . 2 . . . . 28 LEU HD13 . 19042 1 270 . 1 1 28 28 LEU HD21 H 1 0.862 0.006 . 2 . . . . 28 LEU HD21 . 19042 1 271 . 1 1 28 28 LEU HD22 H 1 0.862 0.006 . 2 . . . . 28 LEU HD22 . 19042 1 272 . 1 1 28 28 LEU HD23 H 1 0.862 0.006 . 2 . . . . 28 LEU HD23 . 19042 1 273 . 1 1 28 28 LEU C C 13 178.584 0.000 . 1 . . . . 28 LEU C . 19042 1 274 . 1 1 28 28 LEU CA C 13 57.559 0.041 . 1 . . . . 28 LEU CA . 19042 1 275 . 1 1 28 28 LEU CB C 13 41.467 0.115 . 1 . . . . 28 LEU CB . 19042 1 276 . 1 1 28 28 LEU N N 15 123.422 0.036 . 1 . . . . 28 LEU N . 19042 1 277 . 1 1 29 29 LEU H H 1 7.606 0.005 . 1 . . . . 29 LEU H . 19042 1 278 . 1 1 29 29 LEU HA H 1 4.438 0.009 . 1 . . . . 29 LEU HA . 19042 1 279 . 1 1 29 29 LEU HB2 H 1 1.669 0.036 . 2 . . . . 29 LEU HB2 . 19042 1 280 . 1 1 29 29 LEU HB3 H 1 1.623 0.052 . 2 . . . . 29 LEU HB3 . 19042 1 281 . 1 1 29 29 LEU HG H 1 1.721 0.008 . 1 . . . . 29 LEU HG . 19042 1 282 . 1 1 29 29 LEU HD11 H 1 0.610 0.019 . 2 . . . . 29 LEU HD11 . 19042 1 283 . 1 1 29 29 LEU HD12 H 1 0.610 0.019 . 2 . . . . 29 LEU HD12 . 19042 1 284 . 1 1 29 29 LEU HD13 H 1 0.610 0.019 . 2 . . . . 29 LEU HD13 . 19042 1 285 . 1 1 29 29 LEU HD21 H 1 0.606 0.021 . 2 . . . . 29 LEU HD21 . 19042 1 286 . 1 1 29 29 LEU HD22 H 1 0.606 0.021 . 2 . . . . 29 LEU HD22 . 19042 1 287 . 1 1 29 29 LEU HD23 H 1 0.606 0.021 . 2 . . . . 29 LEU HD23 . 19042 1 288 . 1 1 29 29 LEU C C 13 177.139 0.000 . 1 . . . . 29 LEU C . 19042 1 289 . 1 1 29 29 LEU CA C 13 53.852 0.126 . 1 . . . . 29 LEU CA . 19042 1 290 . 1 1 29 29 LEU CB C 13 40.399 0.055 . 1 . . . . 29 LEU CB . 19042 1 291 . 1 1 29 29 LEU N N 15 117.384 0.029 . 1 . . . . 29 LEU N . 19042 1 292 . 1 1 30 30 ASN H H 1 8.230 0.005 . 1 . . . . 30 ASN H . 19042 1 293 . 1 1 30 30 ASN HA H 1 4.446 0.003 . 1 . . . . 30 ASN HA . 19042 1 294 . 1 1 30 30 ASN HB2 H 1 3.110 0.008 . 2 . . . . 30 ASN HB2 . 19042 1 295 . 1 1 30 30 ASN HB3 H 1 2.731 0.006 . 2 . . . . 30 ASN HB3 . 19042 1 296 . 1 1 30 30 ASN HD21 H 1 7.531 0.015 . 1 . . . . 30 ASN HD21 . 19042 1 297 . 1 1 30 30 ASN HD22 H 1 6.916 0.002 . 1 . . . . 30 ASN HD22 . 19042 1 298 . 1 1 30 30 ASN C C 13 174.139 0.000 . 1 . . . . 30 ASN C . 19042 1 299 . 1 1 30 30 ASN CA C 13 54.468 0.082 . 1 . . . . 30 ASN CA . 19042 1 300 . 1 1 30 30 ASN CB C 13 37.354 0.047 . 1 . . . . 30 ASN CB . 19042 1 301 . 1 1 30 30 ASN N N 15 119.659 0.090 . 1 . . . . 30 ASN N . 19042 1 302 . 1 1 31 31 HIS H H 1 8.710 0.005 . 1 . . . . 31 HIS H . 19042 1 303 . 1 1 31 31 HIS HA H 1 3.965 0.003 . 1 . . . . 31 HIS HA . 19042 1 304 . 1 1 31 31 HIS HB2 H 1 3.488 0.008 . 2 . . . . 31 HIS HB2 . 19042 1 305 . 1 1 31 31 HIS HB3 H 1 3.300 0.006 . 2 . . . . 31 HIS HB3 . 19042 1 306 . 1 1 31 31 HIS HD2 H 1 7.140 0.013 . 1 . . . . 31 HIS HD2 . 19042 1 307 . 1 1 31 31 HIS HE1 H 1 8.138 0.021 . 1 . . . . 31 HIS HE1 . 19042 1 308 . 1 1 31 31 HIS C C 13 175.427 0.000 . 1 . . . . 31 HIS C . 19042 1 309 . 1 1 31 31 HIS CA C 13 58.935 0.073 . 1 . . . . 31 HIS CA . 19042 1 310 . 1 1 31 31 HIS CB C 13 27.226 0.031 . 1 . . . . 31 HIS CB . 19042 1 311 . 1 1 31 31 HIS N N 15 108.077 0.070 . 1 . . . . 31 HIS N . 19042 1 312 . 1 1 32 32 ARG H H 1 7.681 0.005 . 1 . . . . 32 ARG H . 19042 1 313 . 1 1 32 32 ARG HA H 1 4.443 0.005 . 1 . . . . 32 ARG HA . 19042 1 314 . 1 1 32 32 ARG HB2 H 1 1.860 0.010 . 2 . . . . 32 ARG HB2 . 19042 1 315 . 1 1 32 32 ARG HB3 H 1 2.130 0.005 . 2 . . . . 32 ARG HB3 . 19042 1 316 . 1 1 32 32 ARG HG2 H 1 1.731 0.017 . 2 . . . . 32 ARG HG2 . 19042 1 317 . 1 1 32 32 ARG HG3 H 1 1.881 0.014 . 2 . . . . 32 ARG HG3 . 19042 1 318 . 1 1 32 32 ARG HD2 H 1 3.300 0.013 . 2 . . . . 32 ARG HD2 . 19042 1 319 . 1 1 32 32 ARG HD3 H 1 3.301 0.013 . 2 . . . . 32 ARG HD3 . 19042 1 320 . 1 1 32 32 ARG C C 13 174.918 0.000 . 1 . . . . 32 ARG C . 19042 1 321 . 1 1 32 32 ARG CA C 13 56.115 0.077 . 1 . . . . 32 ARG CA . 19042 1 322 . 1 1 32 32 ARG CB C 13 29.873 0.069 . 1 . . . . 32 ARG CB . 19042 1 323 . 1 1 32 32 ARG N N 15 117.004 0.044 . 1 . . . . 32 ARG N . 19042 1 324 . 1 1 33 33 ALA H H 1 7.450 0.007 . 1 . . . . 33 ALA H . 19042 1 325 . 1 1 33 33 ALA HA H 1 4.629 0.006 . 1 . . . . 33 ALA HA . 19042 1 326 . 1 1 33 33 ALA HB1 H 1 1.144 0.015 . 1 . . . . 33 ALA HB1 . 19042 1 327 . 1 1 33 33 ALA HB2 H 1 1.144 0.015 . 1 . . . . 33 ALA HB2 . 19042 1 328 . 1 1 33 33 ALA HB3 H 1 1.144 0.015 . 1 . . . . 33 ALA HB3 . 19042 1 329 . 1 1 33 33 ALA C C 13 174.924 0.000 . 1 . . . . 33 ALA C . 19042 1 330 . 1 1 33 33 ALA CA C 13 50.549 0.123 . 1 . . . . 33 ALA CA . 19042 1 331 . 1 1 33 33 ALA CB C 13 22.667 0.074 . 1 . . . . 33 ALA CB . 19042 1 332 . 1 1 33 33 ALA N N 15 117.400 0.034 . 1 . . . . 33 ALA N . 19042 1 333 . 1 1 34 34 HIS H H 1 8.951 0.007 . 1 . . . . 34 HIS H . 19042 1 334 . 1 1 34 34 HIS HA H 1 4.909 0.015 . 1 . . . . 34 HIS HA . 19042 1 335 . 1 1 34 34 HIS HB2 H 1 3.118 0.017 . 2 . . . . 34 HIS HB2 . 19042 1 336 . 1 1 34 34 HIS HB3 H 1 3.157 0.012 . 2 . . . . 34 HIS HB3 . 19042 1 337 . 1 1 34 34 HIS HD2 H 1 6.879 0.015 . 1 . . . . 34 HIS HD2 . 19042 1 338 . 1 1 34 34 HIS HE1 H 1 7.947 0.028 . 1 . . . . 34 HIS HE1 . 19042 1 339 . 1 1 34 34 HIS C C 13 175.186 0.000 . 1 . . . . 34 HIS C . 19042 1 340 . 1 1 34 34 HIS CA C 13 55.495 0.059 . 1 . . . . 34 HIS CA . 19042 1 341 . 1 1 34 34 HIS CB C 13 31.758 0.064 . 1 . . . . 34 HIS CB . 19042 1 342 . 1 1 34 34 HIS N N 15 121.617 0.034 . 1 . . . . 34 HIS N . 19042 1 343 . 1 1 35 35 THR H H 1 8.256 0.006 . 1 . . . . 35 THR H . 19042 1 344 . 1 1 35 35 THR HA H 1 5.821 0.006 . 1 . . . . 35 THR HA . 19042 1 345 . 1 1 35 35 THR HB H 1 4.129 0.008 . 1 . . . . 35 THR HB . 19042 1 346 . 1 1 35 35 THR HG21 H 1 1.143 0.017 . 1 . . . . 35 THR HG21 . 19042 1 347 . 1 1 35 35 THR HG22 H 1 1.143 0.017 . 1 . . . . 35 THR HG22 . 19042 1 348 . 1 1 35 35 THR HG23 H 1 1.143 0.017 . 1 . . . . 35 THR HG23 . 19042 1 349 . 1 1 35 35 THR C C 13 172.891 0.000 . 1 . . . . 35 THR C . 19042 1 350 . 1 1 35 35 THR CA C 13 57.649 0.036 . 1 . . . . 35 THR CA . 19042 1 351 . 1 1 35 35 THR CB C 13 71.728 0.035 . 1 . . . . 35 THR CB . 19042 1 352 . 1 1 35 35 THR N N 15 116.043 0.038 . 1 . . . . 35 THR N . 19042 1 353 . 1 1 36 36 ASP H H 1 8.412 0.005 . 1 . . . . 36 ASP H . 19042 1 354 . 1 1 36 36 ASP HA H 1 4.640 0.009 . 1 . . . . 36 ASP HA . 19042 1 355 . 1 1 36 36 ASP HB2 H 1 2.733 0.017 . 2 . . . . 36 ASP HB2 . 19042 1 356 . 1 1 36 36 ASP HB3 H 1 2.758 0.015 . 2 . . . . 36 ASP HB3 . 19042 1 357 . 1 1 36 36 ASP C C 13 173.349 0.000 . 1 . . . . 36 ASP C . 19042 1 358 . 1 1 36 36 ASP CA C 13 52.828 0.039 . 1 . . . . 36 ASP CA . 19042 1 359 . 1 1 36 36 ASP CB C 13 43.316 0.034 . 1 . . . . 36 ASP CB . 19042 1 360 . 1 1 36 36 ASP N N 15 118.713 0.032 . 1 . . . . 36 ASP N . 19042 1 361 . 1 1 37 37 VAL H H 1 8.154 0.002 . 1 . . . . 37 VAL H . 19042 1 362 . 1 1 37 37 VAL HA H 1 5.053 0.004 . 1 . . . . 37 VAL HA . 19042 1 363 . 1 1 37 37 VAL HB H 1 1.955 0.013 . 1 . . . . 37 VAL HB . 19042 1 364 . 1 1 37 37 VAL HG11 H 1 0.795 0.012 . 2 . . . . 37 VAL HG11 . 19042 1 365 . 1 1 37 37 VAL HG12 H 1 0.795 0.012 . 2 . . . . 37 VAL HG12 . 19042 1 366 . 1 1 37 37 VAL HG13 H 1 0.795 0.012 . 2 . . . . 37 VAL HG13 . 19042 1 367 . 1 1 37 37 VAL HG21 H 1 0.790 0.010 . 2 . . . . 37 VAL HG21 . 19042 1 368 . 1 1 37 37 VAL HG22 H 1 0.790 0.010 . 2 . . . . 37 VAL HG22 . 19042 1 369 . 1 1 37 37 VAL HG23 H 1 0.790 0.010 . 2 . . . . 37 VAL HG23 . 19042 1 370 . 1 1 37 37 VAL C C 13 176.445 0.000 . 1 . . . . 37 VAL C . 19042 1 371 . 1 1 37 37 VAL CA C 13 60.855 0.040 . 1 . . . . 37 VAL CA . 19042 1 372 . 1 1 37 37 VAL CB C 13 34.867 0.059 . 1 . . . . 37 VAL CB . 19042 1 373 . 1 1 37 37 VAL N N 15 118.616 0.024 . 1 . . . . 37 VAL N . 19042 1 374 . 1 1 38 38 VAL H H 1 9.483 0.005 . 1 . . . . 38 VAL H . 19042 1 375 . 1 1 38 38 VAL HA H 1 4.145 0.012 . 1 . . . . 38 VAL HA . 19042 1 376 . 1 1 38 38 VAL HB H 1 2.001 0.017 . 1 . . . . 38 VAL HB . 19042 1 377 . 1 1 38 38 VAL HG11 H 1 0.834 0.016 . 2 . . . . 38 VAL HG11 . 19042 1 378 . 1 1 38 38 VAL HG12 H 1 0.834 0.016 . 2 . . . . 38 VAL HG12 . 19042 1 379 . 1 1 38 38 VAL HG13 H 1 0.834 0.016 . 2 . . . . 38 VAL HG13 . 19042 1 380 . 1 1 38 38 VAL HG21 H 1 1.026 0.009 . 2 . . . . 38 VAL HG21 . 19042 1 381 . 1 1 38 38 VAL HG22 H 1 1.026 0.009 . 2 . . . . 38 VAL HG22 . 19042 1 382 . 1 1 38 38 VAL HG23 H 1 1.026 0.009 . 2 . . . . 38 VAL HG23 . 19042 1 383 . 1 1 38 38 VAL C C 13 175.644 0.000 . 1 . . . . 38 VAL C . 19042 1 384 . 1 1 38 38 VAL CA C 13 61.992 0.108 . 1 . . . . 38 VAL CA . 19042 1 385 . 1 1 38 38 VAL CB C 13 32.553 0.071 . 1 . . . . 38 VAL CB . 19042 1 386 . 1 1 38 38 VAL N N 15 132.034 0.020 . 1 . . . . 38 VAL N . 19042 1 387 . 1 1 39 39 GLY H H 1 8.540 0.007 . 1 . . . . 39 GLY H . 19042 1 388 . 1 1 39 39 GLY HA2 H 1 3.771 0.013 . 2 . . . . 39 GLY HA2 . 19042 1 389 . 1 1 39 39 GLY HA3 H 1 4.100 0.019 . 2 . . . . 39 GLY HA3 . 19042 1 390 . 1 1 39 39 GLY C C 13 173.262 0.000 . 1 . . . . 39 GLY C . 19042 1 391 . 1 1 39 39 GLY CA C 13 44.798 0.113 . 1 . . . . 39 GLY CA . 19042 1 392 . 1 1 39 39 GLY N N 15 112.531 0.054 . 1 . . . . 39 GLY N . 19042 1 393 . 1 1 40 40 TYR H H 1 10.442 0.005 . 1 . . . . 40 TYR H . 19042 1 394 . 1 1 40 40 TYR HA H 1 4.376 0.008 . 1 . . . . 40 TYR HA . 19042 1 395 . 1 1 40 40 TYR HB2 H 1 2.825 0.011 . 2 . . . . 40 TYR HB2 . 19042 1 396 . 1 1 40 40 TYR HB3 H 1 3.540 0.028 . 2 . . . . 40 TYR HB3 . 19042 1 397 . 1 1 40 40 TYR HD1 H 1 7.315 0.005 . 3 . . . . 40 TYR HD1 . 19042 1 398 . 1 1 40 40 TYR HD2 H 1 7.315 0.005 . 3 . . . . 40 TYR HD2 . 19042 1 399 . 1 1 40 40 TYR HE1 H 1 6.841 0.005 . 3 . . . . 40 TYR HE1 . 19042 1 400 . 1 1 40 40 TYR HE2 H 1 6.841 0.005 . 3 . . . . 40 TYR HE2 . 19042 1 401 . 1 1 40 40 TYR C C 13 177.818 0.000 . 1 . . . . 40 TYR C . 19042 1 402 . 1 1 40 40 TYR CA C 13 60.221 0.035 . 1 . . . . 40 TYR CA . 19042 1 403 . 1 1 40 40 TYR CB C 13 39.100 0.055 . 1 . . . . 40 TYR CB . 19042 1 404 . 1 1 40 40 TYR N N 15 126.686 0.035 . 1 . . . . 40 TYR N . 19042 1 405 . 1 1 41 41 GLY H H 1 8.777 0.012 . 1 . . . . 41 GLY H . 19042 1 406 . 1 1 41 41 GLY HA2 H 1 4.492 0.004 . 2 . . . . 41 GLY HA2 . 19042 1 407 . 1 1 41 41 GLY HA3 H 1 3.410 0.007 . 2 . . . . 41 GLY HA3 . 19042 1 408 . 1 1 41 41 GLY CA C 13 45.318 0.053 . 1 . . . . 41 GLY CA . 19042 1 409 . 1 1 41 41 GLY N N 15 116.243 0.058 . 1 . . . . 41 GLY N . 19042 1 410 . 1 1 42 42 GLY HA2 H 1 4.401 0.006 . 2 . . . . 42 GLY HA2 . 19042 1 411 . 1 1 42 42 GLY HA3 H 1 3.467 0.011 . 2 . . . . 42 GLY HA3 . 19042 1 412 . 1 1 42 42 GLY CA C 13 43.262 0.074 . 1 . . . . 42 GLY CA . 19042 1 413 . 1 1 43 43 HIS H H 1 8.585 0.004 . 1 . . . . 43 HIS H . 19042 1 414 . 1 1 43 43 HIS HA H 1 4.400 0.004 . 1 . . . . 43 HIS HA . 19042 1 415 . 1 1 43 43 HIS HB2 H 1 3.046 0.019 . 2 . . . . 43 HIS HB2 . 19042 1 416 . 1 1 43 43 HIS HB3 H 1 3.046 0.019 . 2 . . . . 43 HIS HB3 . 19042 1 417 . 1 1 43 43 HIS HD2 H 1 7.047 0.003 . 1 . . . . 43 HIS HD2 . 19042 1 418 . 1 1 43 43 HIS HE1 H 1 7.847 0.014 . 1 . . . . 43 HIS HE1 . 19042 1 419 . 1 1 43 43 HIS CA C 13 58.799 0.023 . 1 . . . . 43 HIS CA . 19042 1 420 . 1 1 43 43 HIS CB C 13 30.261 0.024 . 1 . . . . 43 HIS CB . 19042 1 421 . 1 1 43 43 HIS N N 15 119.023 0.039 . 1 . . . . 43 HIS N . 19042 1 422 . 1 1 44 44 GLY HA2 H 1 3.802 0.005 . 2 . . . . 44 GLY HA2 . 19042 1 423 . 1 1 44 44 GLY HA3 H 1 3.492 0.006 . 2 . . . . 44 GLY HA3 . 19042 1 424 . 1 1 44 44 GLY CA C 13 44.537 0.060 . 1 . . . . 44 GLY CA . 19042 1 425 . 1 1 45 45 HIS H H 1 8.265 0.006 . 1 . . . . 45 HIS H . 19042 1 426 . 1 1 45 45 HIS HA H 1 4.925 0.006 . 1 . . . . 45 HIS HA . 19042 1 427 . 1 1 45 45 HIS HB2 H 1 2.426 0.010 . 2 . . . . 45 HIS HB2 . 19042 1 428 . 1 1 45 45 HIS HB3 H 1 2.999 0.007 . 2 . . . . 45 HIS HB3 . 19042 1 429 . 1 1 45 45 HIS HD2 H 1 6.757 0.011 . 1 . . . . 45 HIS HD2 . 19042 1 430 . 1 1 45 45 HIS HE1 H 1 8.072 0.016 . 1 . . . . 45 HIS HE1 . 19042 1 431 . 1 1 45 45 HIS CA C 13 53.303 0.044 . 1 . . . . 45 HIS CA . 19042 1 432 . 1 1 45 45 HIS CB C 13 29.427 0.065 . 1 . . . . 45 HIS CB . 19042 1 433 . 1 1 45 45 HIS N N 15 119.554 0.061 . 1 . . . . 45 HIS N . 19042 1 434 . 1 1 46 46 PRO HA H 1 4.808 0.029 . 1 . . . . 46 PRO HA . 19042 1 435 . 1 1 46 46 PRO HB2 H 1 2.672 0.027 . 2 . . . . 46 PRO HB2 . 19042 1 436 . 1 1 46 46 PRO HB3 H 1 2.300 0.009 . 2 . . . . 46 PRO HB3 . 19042 1 437 . 1 1 46 46 PRO HG2 H 1 1.914 0.025 . 2 . . . . 46 PRO HG2 . 19042 1 438 . 1 1 46 46 PRO HG3 H 1 2.008 0.010 . 2 . . . . 46 PRO HG3 . 19042 1 439 . 1 1 46 46 PRO C C 13 177.429 0.000 . 1 . . . . 46 PRO C . 19042 1 440 . 1 1 46 46 PRO CA C 13 62.970 0.055 . 1 . . . . 46 PRO CA . 19042 1 441 . 1 1 46 46 PRO CB C 13 32.653 0.078 . 1 . . . . 46 PRO CB . 19042 1 442 . 1 1 47 47 THR H H 1 8.971 0.008 . 1 . . . . 47 THR H . 19042 1 443 . 1 1 47 47 THR HA H 1 4.427 0.011 . 1 . . . . 47 THR HA . 19042 1 444 . 1 1 47 47 THR HB H 1 4.416 0.003 . 1 . . . . 47 THR HB . 19042 1 445 . 1 1 47 47 THR HG21 H 1 1.569 0.019 . 1 . . . . 47 THR HG21 . 19042 1 446 . 1 1 47 47 THR HG22 H 1 1.569 0.019 . 1 . . . . 47 THR HG22 . 19042 1 447 . 1 1 47 47 THR HG23 H 1 1.569 0.019 . 1 . . . . 47 THR HG23 . 19042 1 448 . 1 1 47 47 THR C C 13 174.640 0.000 . 1 . . . . 47 THR C . 19042 1 449 . 1 1 47 47 THR CA C 13 65.636 0.140 . 1 . . . . 47 THR CA . 19042 1 450 . 1 1 47 47 THR CB C 13 69.763 0.021 . 1 . . . . 47 THR CB . 19042 1 451 . 1 1 47 47 THR N N 15 121.569 0.033 . 1 . . . . 47 THR N . 19042 1 452 . 1 1 48 48 GLN H H 1 9.175 0.004 . 1 . . . . 48 GLN H . 19042 1 453 . 1 1 48 48 GLN HA H 1 5.827 0.017 . 1 . . . . 48 GLN HA . 19042 1 454 . 1 1 48 48 GLN HB2 H 1 1.859 0.010 . 2 . . . . 48 GLN HB2 . 19042 1 455 . 1 1 48 48 GLN HB3 H 1 1.851 0.005 . 2 . . . . 48 GLN HB3 . 19042 1 456 . 1 1 48 48 GLN HG2 H 1 2.551 0.010 . 2 . . . . 48 GLN HG2 . 19042 1 457 . 1 1 48 48 GLN HG3 H 1 2.548 0.010 . 2 . . . . 48 GLN HG3 . 19042 1 458 . 1 1 48 48 GLN HE21 H 1 7.342 0.004 . 1 . . . . 48 GLN HE21 . 19042 1 459 . 1 1 48 48 GLN HE22 H 1 6.573 0.003 . 1 . . . . 48 GLN HE22 . 19042 1 460 . 1 1 48 48 GLN C C 13 177.282 0.000 . 1 . . . . 48 GLN C . 19042 1 461 . 1 1 48 48 GLN CA C 13 53.234 0.034 . 1 . . . . 48 GLN CA . 19042 1 462 . 1 1 48 48 GLN CB C 13 33.123 0.072 . 1 . . . . 48 GLN CB . 19042 1 463 . 1 1 48 48 GLN N N 15 123.175 0.021 . 1 . . . . 48 GLN N . 19042 1 464 . 1 1 49 49 VAL H H 1 9.074 0.005 . 1 . . . . 49 VAL H . 19042 1 465 . 1 1 49 49 VAL HA H 1 5.080 0.020 . 1 . . . . 49 VAL HA . 19042 1 466 . 1 1 49 49 VAL HB H 1 2.365 0.025 . 1 . . . . 49 VAL HB . 19042 1 467 . 1 1 49 49 VAL HG11 H 1 1.021 0.012 . 2 . . . . 49 VAL HG11 . 19042 1 468 . 1 1 49 49 VAL HG12 H 1 1.021 0.012 . 2 . . . . 49 VAL HG12 . 19042 1 469 . 1 1 49 49 VAL HG13 H 1 1.021 0.012 . 2 . . . . 49 VAL HG13 . 19042 1 470 . 1 1 49 49 VAL HG21 H 1 1.325 0.017 . 2 . . . . 49 VAL HG21 . 19042 1 471 . 1 1 49 49 VAL HG22 H 1 1.325 0.017 . 2 . . . . 49 VAL HG22 . 19042 1 472 . 1 1 49 49 VAL HG23 H 1 1.325 0.017 . 2 . . . . 49 VAL HG23 . 19042 1 473 . 1 1 49 49 VAL C C 13 175.332 0.000 . 1 . . . . 49 VAL C . 19042 1 474 . 1 1 49 49 VAL CA C 13 62.218 0.038 . 1 . . . . 49 VAL CA . 19042 1 475 . 1 1 49 49 VAL CB C 13 33.462 0.000 . 1 . . . . 49 VAL CB . 19042 1 476 . 1 1 49 49 VAL N N 15 122.847 0.029 . 1 . . . . 49 VAL N . 19042 1 477 . 1 1 50 50 ARG H H 1 8.968 0.005 . 1 . . . . 50 ARG H . 19042 1 478 . 1 1 50 50 ARG HA H 1 5.388 0.018 . 1 . . . . 50 ARG HA . 19042 1 479 . 1 1 50 50 ARG HB2 H 1 2.065 0.007 . 2 . . . . 50 ARG HB2 . 19042 1 480 . 1 1 50 50 ARG HB3 H 1 2.070 0.009 . 2 . . . . 50 ARG HB3 . 19042 1 481 . 1 1 50 50 ARG HG2 H 1 1.664 0.019 . 2 . . . . 50 ARG HG2 . 19042 1 482 . 1 1 50 50 ARG HG3 H 1 1.665 0.015 . 2 . . . . 50 ARG HG3 . 19042 1 483 . 1 1 50 50 ARG HD2 H 1 3.175 0.019 . 1 . . . . 50 ARG HD2 . 19042 1 484 . 1 1 50 50 ARG HD3 H 1 3.175 0.019 . 1 . . . . 50 ARG HD3 . 19042 1 485 . 1 1 50 50 ARG HE H 1 8.208 0.004 . 1 . . . . 50 ARG HE . 19042 1 486 . 1 1 50 50 ARG C C 13 175.772 0.000 . 1 . . . . 50 ARG C . 19042 1 487 . 1 1 50 50 ARG CA C 13 54.484 0.089 . 1 . . . . 50 ARG CA . 19042 1 488 . 1 1 50 50 ARG CB C 13 32.569 0.043 . 1 . . . . 50 ARG CB . 19042 1 489 . 1 1 50 50 ARG N N 15 127.147 0.020 . 1 . . . . 50 ARG N . 19042 1 490 . 1 1 50 50 ARG NE N 15 85.324 0.026 . 1 . . . . 50 ARG NE . 19042 1 491 . 1 1 51 51 ILE H H 1 8.453 0.026 . 1 . . . . 51 ILE H . 19042 1 492 . 1 1 51 51 ILE HA H 1 4.731 0.011 . 1 . . . . 51 ILE HA . 19042 1 493 . 1 1 51 51 ILE HB H 1 1.898 0.012 . 1 . . . . 51 ILE HB . 19042 1 494 . 1 1 51 51 ILE HG12 H 1 1.455 0.006 . 2 . . . . 51 ILE HG12 . 19042 1 495 . 1 1 51 51 ILE HG13 H 1 0.998 0.013 . 2 . . . . 51 ILE HG13 . 19042 1 496 . 1 1 51 51 ILE HG21 H 1 0.731 0.010 . 1 . . . . 51 ILE HG21 . 19042 1 497 . 1 1 51 51 ILE HG22 H 1 0.731 0.010 . 1 . . . . 51 ILE HG22 . 19042 1 498 . 1 1 51 51 ILE HG23 H 1 0.731 0.010 . 1 . . . . 51 ILE HG23 . 19042 1 499 . 1 1 51 51 ILE HD11 H 1 0.727 0.013 . 1 . . . . 51 ILE HD11 . 19042 1 500 . 1 1 51 51 ILE HD12 H 1 0.727 0.013 . 1 . . . . 51 ILE HD12 . 19042 1 501 . 1 1 51 51 ILE HD13 H 1 0.727 0.013 . 1 . . . . 51 ILE HD13 . 19042 1 502 . 1 1 51 51 ILE C C 13 175.041 0.000 . 1 . . . . 51 ILE C . 19042 1 503 . 1 1 51 51 ILE CA C 13 60.798 0.067 . 1 . . . . 51 ILE CA . 19042 1 504 . 1 1 51 51 ILE CB C 13 40.839 0.106 . 1 . . . . 51 ILE CB . 19042 1 505 . 1 1 51 51 ILE N N 15 120.822 0.057 . 1 . . . . 51 ILE N . 19042 1 506 . 1 1 52 52 VAL H H 1 8.996 0.009 . 1 . . . . 52 VAL H . 19042 1 507 . 1 1 52 52 VAL HA H 1 4.947 0.007 . 1 . . . . 52 VAL HA . 19042 1 508 . 1 1 52 52 VAL HB H 1 2.026 0.007 . 1 . . . . 52 VAL HB . 19042 1 509 . 1 1 52 52 VAL HG11 H 1 1.003 0.011 . 2 . . . . 52 VAL HG11 . 19042 1 510 . 1 1 52 52 VAL HG12 H 1 1.003 0.011 . 2 . . . . 52 VAL HG12 . 19042 1 511 . 1 1 52 52 VAL HG13 H 1 1.003 0.011 . 2 . . . . 52 VAL HG13 . 19042 1 512 . 1 1 52 52 VAL HG21 H 1 0.981 0.009 . 2 . . . . 52 VAL HG21 . 19042 1 513 . 1 1 52 52 VAL HG22 H 1 0.981 0.009 . 2 . . . . 52 VAL HG22 . 19042 1 514 . 1 1 52 52 VAL HG23 H 1 0.981 0.009 . 2 . . . . 52 VAL HG23 . 19042 1 515 . 1 1 52 52 VAL C C 13 175.425 0.000 . 1 . . . . 52 VAL C . 19042 1 516 . 1 1 52 52 VAL CA C 13 60.106 0.026 . 1 . . . . 52 VAL CA . 19042 1 517 . 1 1 52 52 VAL CB C 13 36.555 0.075 . 1 . . . . 52 VAL CB . 19042 1 518 . 1 1 52 52 VAL N N 15 123.690 0.024 . 1 . . . . 52 VAL N . 19042 1 519 . 1 1 53 53 ALA H H 1 8.611 0.005 . 1 . . . . 53 ALA H . 19042 1 520 . 1 1 53 53 ALA HA H 1 5.035 0.019 . 1 . . . . 53 ALA HA . 19042 1 521 . 1 1 53 53 ALA HB1 H 1 1.638 0.011 . 1 . . . . 53 ALA HB1 . 19042 1 522 . 1 1 53 53 ALA HB2 H 1 1.638 0.011 . 1 . . . . 53 ALA HB2 . 19042 1 523 . 1 1 53 53 ALA HB3 H 1 1.638 0.011 . 1 . . . . 53 ALA HB3 . 19042 1 524 . 1 1 53 53 ALA CA C 13 49.541 0.047 . 1 . . . . 53 ALA CA . 19042 1 525 . 1 1 53 53 ALA CB C 13 20.969 0.058 . 1 . . . . 53 ALA CB . 19042 1 526 . 1 1 53 53 ALA N N 15 129.060 0.032 . 1 . . . . 53 ALA N . 19042 1 527 . 1 1 54 54 PRO HA H 1 4.538 0.009 . 1 . . . . 54 PRO HA . 19042 1 528 . 1 1 54 54 PRO HB2 H 1 1.936 0.013 . 2 . . . . 54 PRO HB2 . 19042 1 529 . 1 1 54 54 PRO HB3 H 1 2.298 0.002 . 2 . . . . 54 PRO HB3 . 19042 1 530 . 1 1 54 54 PRO HG2 H 1 1.916 0.032 . 2 . . . . 54 PRO HG2 . 19042 1 531 . 1 1 54 54 PRO HG3 H 1 2.009 0.012 . 2 . . . . 54 PRO HG3 . 19042 1 532 . 1 1 54 54 PRO HD2 H 1 3.823 0.004 . 2 . . . . 54 PRO HD2 . 19042 1 533 . 1 1 54 54 PRO HD3 H 1 3.822 0.005 . 2 . . . . 54 PRO HD3 . 19042 1 534 . 1 1 54 54 PRO C C 13 176.678 0.000 . 1 . . . . 54 PRO C . 19042 1 535 . 1 1 54 54 PRO CA C 13 62.700 0.029 . 1 . . . . 54 PRO CA . 19042 1 536 . 1 1 54 54 PRO CB C 13 32.223 0.080 . 1 . . . . 54 PRO CB . 19042 1 537 . 1 1 55 55 HIS H H 1 8.344 0.013 . 1 . . . . 55 HIS H . 19042 1 538 . 1 1 55 55 HIS HA H 1 4.567 0.015 . 1 . . . . 55 HIS HA . 19042 1 539 . 1 1 55 55 HIS HB2 H 1 3.130 0.014 . 2 . . . . 55 HIS HB2 . 19042 1 540 . 1 1 55 55 HIS HB3 H 1 3.128 0.014 . 2 . . . . 55 HIS HB3 . 19042 1 541 . 1 1 55 55 HIS HD2 H 1 7.081 0.007 . 1 . . . . 55 HIS HD2 . 19042 1 542 . 1 1 55 55 HIS HE1 H 1 7.887 0.013 . 1 . . . . 55 HIS HE1 . 19042 1 543 . 1 1 55 55 HIS C C 13 175.072 0.000 . 1 . . . . 55 HIS C . 19042 1 544 . 1 1 55 55 HIS CA C 13 56.839 0.026 . 1 . . . . 55 HIS CA . 19042 1 545 . 1 1 55 55 HIS CB C 13 30.914 0.149 . 1 . . . . 55 HIS CB . 19042 1 546 . 1 1 55 55 HIS N N 15 119.405 0.105 . 1 . . . . 55 HIS N . 19042 1 547 . 1 1 56 56 ALA H H 1 8.327 0.005 . 1 . . . . 56 ALA H . 19042 1 548 . 1 1 56 56 ALA HA H 1 4.410 0.006 . 1 . . . . 56 ALA HA . 19042 1 549 . 1 1 56 56 ALA HB1 H 1 1.352 0.005 . 1 . . . . 56 ALA HB1 . 19042 1 550 . 1 1 56 56 ALA HB2 H 1 1.352 0.005 . 1 . . . . 56 ALA HB2 . 19042 1 551 . 1 1 56 56 ALA HB3 H 1 1.352 0.005 . 1 . . . . 56 ALA HB3 . 19042 1 552 . 1 1 56 56 ALA C C 13 176.884 0.000 . 1 . . . . 56 ALA C . 19042 1 553 . 1 1 56 56 ALA CA C 13 51.893 0.066 . 1 . . . . 56 ALA CA . 19042 1 554 . 1 1 56 56 ALA CB C 13 20.562 0.045 . 1 . . . . 56 ALA CB . 19042 1 555 . 1 1 56 56 ALA N N 15 126.820 0.072 . 1 . . . . 56 ALA N . 19042 1 556 . 1 1 57 57 GLU H H 1 8.423 0.004 . 1 . . . . 57 GLU H . 19042 1 557 . 1 1 57 57 GLU HA H 1 4.207 0.005 . 1 . . . . 57 GLU HA . 19042 1 558 . 1 1 57 57 GLU HB2 H 1 1.895 0.017 . 2 . . . . 57 GLU HB2 . 19042 1 559 . 1 1 57 57 GLU HB3 H 1 1.928 0.020 . 2 . . . . 57 GLU HB3 . 19042 1 560 . 1 1 57 57 GLU HG2 H 1 2.207 0.015 . 2 . . . . 57 GLU HG2 . 19042 1 561 . 1 1 57 57 GLU HG3 H 1 2.227 0.017 . 2 . . . . 57 GLU HG3 . 19042 1 562 . 1 1 57 57 GLU C C 13 176.231 0.000 . 1 . . . . 57 GLU C . 19042 1 563 . 1 1 57 57 GLU CA C 13 56.621 0.060 . 1 . . . . 57 GLU CA . 19042 1 564 . 1 1 57 57 GLU CB C 13 30.197 0.067 . 1 . . . . 57 GLU CB . 19042 1 565 . 1 1 57 57 GLU N N 15 120.897 0.021 . 1 . . . . 57 GLU N . 19042 1 566 . 1 1 58 58 HIS H H 1 8.362 0.014 . 1 . . . . 58 HIS H . 19042 1 567 . 1 1 58 58 HIS HA H 1 4.612 0.011 . 1 . . . . 58 HIS HA . 19042 1 568 . 1 1 58 58 HIS HB2 H 1 3.123 0.010 . 2 . . . . 58 HIS HB2 . 19042 1 569 . 1 1 58 58 HIS HB3 H 1 3.123 0.010 . 2 . . . . 58 HIS HB3 . 19042 1 570 . 1 1 58 58 HIS HD2 H 1 6.991 0.009 . 1 . . . . 58 HIS HD2 . 19042 1 571 . 1 1 58 58 HIS HE1 H 1 7.787 0.014 . 1 . . . . 58 HIS HE1 . 19042 1 572 . 1 1 58 58 HIS C C 13 175.110 0.000 . 1 . . . . 58 HIS C . 19042 1 573 . 1 1 58 58 HIS CA C 13 56.280 0.075 . 1 . . . . 58 HIS CA . 19042 1 574 . 1 1 58 58 HIS CB C 13 30.395 0.193 . 1 . . . . 58 HIS CB . 19042 1 575 . 1 1 58 58 HIS N N 15 120.180 0.082 . 1 . . . . 58 HIS N . 19042 1 576 . 1 1 59 59 VAL H H 1 8.054 0.004 . 1 . . . . 59 VAL H . 19042 1 577 . 1 1 59 59 VAL HA H 1 4.132 0.005 . 1 . . . . 59 VAL HA . 19042 1 578 . 1 1 59 59 VAL HB H 1 2.033 0.005 . 1 . . . . 59 VAL HB . 19042 1 579 . 1 1 59 59 VAL HG11 H 1 0.844 0.013 . 2 . . . . 59 VAL HG11 . 19042 1 580 . 1 1 59 59 VAL HG12 H 1 0.844 0.013 . 2 . . . . 59 VAL HG12 . 19042 1 581 . 1 1 59 59 VAL HG13 H 1 0.844 0.013 . 2 . . . . 59 VAL HG13 . 19042 1 582 . 1 1 59 59 VAL HG21 H 1 0.846 0.006 . 2 . . . . 59 VAL HG21 . 19042 1 583 . 1 1 59 59 VAL HG22 H 1 0.846 0.006 . 2 . . . . 59 VAL HG22 . 19042 1 584 . 1 1 59 59 VAL HG23 H 1 0.846 0.006 . 2 . . . . 59 VAL HG23 . 19042 1 585 . 1 1 59 59 VAL C C 13 175.539 0.000 . 1 . . . . 59 VAL C . 19042 1 586 . 1 1 59 59 VAL CA C 13 62.176 0.104 . 1 . . . . 59 VAL CA . 19042 1 587 . 1 1 59 59 VAL CB C 13 32.891 0.023 . 1 . . . . 59 VAL CB . 19042 1 588 . 1 1 59 59 VAL N N 15 121.444 0.032 . 1 . . . . 59 VAL N . 19042 1 589 . 1 1 60 60 ARG H H 1 8.248 0.008 . 1 . . . . 60 ARG H . 19042 1 590 . 1 1 60 60 ARG HA H 1 4.375 0.008 . 1 . . . . 60 ARG HA . 19042 1 591 . 1 1 60 60 ARG HB2 H 1 1.731 0.017 . 2 . . . . 60 ARG HB2 . 19042 1 592 . 1 1 60 60 ARG HB3 H 1 1.776 0.029 . 2 . . . . 60 ARG HB3 . 19042 1 593 . 1 1 60 60 ARG HG2 H 1 1.535 0.008 . 2 . . . . 60 ARG HG2 . 19042 1 594 . 1 1 60 60 ARG HG3 H 1 1.525 0.029 . 2 . . . . 60 ARG HG3 . 19042 1 595 . 1 1 60 60 ARG HD2 H 1 3.155 0.012 . 2 . . . . 60 ARG HD2 . 19042 1 596 . 1 1 60 60 ARG HD3 H 1 3.152 0.010 . 2 . . . . 60 ARG HD3 . 19042 1 597 . 1 1 60 60 ARG C C 13 175.552 0.000 . 1 . . . . 60 ARG C . 19042 1 598 . 1 1 60 60 ARG CA C 13 55.563 0.061 . 1 . . . . 60 ARG CA . 19042 1 599 . 1 1 60 60 ARG CB C 13 30.927 0.140 . 1 . . . . 60 ARG CB . 19042 1 600 . 1 1 60 60 ARG N N 15 123.489 0.031 . 1 . . . . 60 ARG N . 19042 1 601 . 1 1 61 61 GLY H H 1 8.183 0.004 . 1 . . . . 61 GLY H . 19042 1 602 . 1 1 61 61 GLY HA2 H 1 3.863 0.005 . 2 . . . . 61 GLY HA2 . 19042 1 603 . 1 1 61 61 GLY HA3 H 1 3.673 0.012 . 2 . . . . 61 GLY HA3 . 19042 1 604 . 1 1 61 61 GLY C C 13 174.421 0.000 . 1 . . . . 61 GLY C . 19042 1 605 . 1 1 61 61 GLY CA C 13 45.207 0.073 . 1 . . . . 61 GLY CA . 19042 1 606 . 1 1 61 61 GLY N N 15 110.793 0.069 . 1 . . . . 61 GLY N . 19042 1 607 . 1 1 62 62 TYR H H 1 8.466 0.002 . 1 . . . . 62 TYR H . 19042 1 608 . 1 1 62 62 TYR HA H 1 4.558 0.012 . 1 . . . . 62 TYR HA . 19042 1 609 . 1 1 62 62 TYR HB2 H 1 2.585 0.016 . 2 . . . . 62 TYR HB2 . 19042 1 610 . 1 1 62 62 TYR HB3 H 1 3.055 0.012 . 2 . . . . 62 TYR HB3 . 19042 1 611 . 1 1 62 62 TYR HD1 H 1 7.037 0.005 . 3 . . . . 62 TYR HD1 . 19042 1 612 . 1 1 62 62 TYR HD2 H 1 7.037 0.005 . 3 . . . . 62 TYR HD2 . 19042 1 613 . 1 1 62 62 TYR HE1 H 1 6.628 0.004 . 3 . . . . 62 TYR HE1 . 19042 1 614 . 1 1 62 62 TYR HE2 H 1 6.628 0.004 . 3 . . . . 62 TYR HE2 . 19042 1 615 . 1 1 62 62 TYR C C 13 175.749 0.000 . 1 . . . . 62 TYR C . 19042 1 616 . 1 1 62 62 TYR CA C 13 57.208 0.147 . 1 . . . . 62 TYR CA . 19042 1 617 . 1 1 62 62 TYR CB C 13 39.200 0.057 . 1 . . . . 62 TYR CB . 19042 1 618 . 1 1 62 62 TYR N N 15 122.183 0.031 . 1 . . . . 62 TYR N . 19042 1 619 . 1 1 63 63 ALA H H 1 8.301 0.004 . 1 . . . . 63 ALA H . 19042 1 620 . 1 1 63 63 ALA HA H 1 4.051 0.010 . 1 . . . . 63 ALA HA . 19042 1 621 . 1 1 63 63 ALA HB1 H 1 1.218 0.020 . 1 . . . . 63 ALA HB1 . 19042 1 622 . 1 1 63 63 ALA HB2 H 1 1.218 0.020 . 1 . . . . 63 ALA HB2 . 19042 1 623 . 1 1 63 63 ALA HB3 H 1 1.218 0.020 . 1 . . . . 63 ALA HB3 . 19042 1 624 . 1 1 63 63 ALA C C 13 177.333 0.000 . 1 . . . . 63 ALA C . 19042 1 625 . 1 1 63 63 ALA CA C 13 54.099 0.034 . 1 . . . . 63 ALA CA . 19042 1 626 . 1 1 63 63 ALA CB C 13 20.185 0.033 . 1 . . . . 63 ALA CB . 19042 1 627 . 1 1 63 63 ALA N N 15 120.132 0.032 . 1 . . . . 63 ALA N . 19042 1 628 . 1 1 64 64 HIS H H 1 8.095 0.003 . 1 . . . . 64 HIS H . 19042 1 629 . 1 1 64 64 HIS HA H 1 4.972 0.008 . 1 . . . . 64 HIS HA . 19042 1 630 . 1 1 64 64 HIS HB2 H 1 3.284 0.007 . 2 . . . . 64 HIS HB2 . 19042 1 631 . 1 1 64 64 HIS HB3 H 1 2.788 0.014 . 2 . . . . 64 HIS HB3 . 19042 1 632 . 1 1 64 64 HIS HD2 H 1 6.823 0.017 . 1 . . . . 64 HIS HD2 . 19042 1 633 . 1 1 64 64 HIS HE1 H 1 7.836 0.018 . 1 . . . . 64 HIS HE1 . 19042 1 634 . 1 1 64 64 HIS CA C 13 53.795 0.028 . 1 . . . . 64 HIS CA . 19042 1 635 . 1 1 64 64 HIS CB C 13 31.208 0.064 . 1 . . . . 64 HIS CB . 19042 1 636 . 1 1 64 64 HIS N N 15 116.463 0.055 . 1 . . . . 64 HIS N . 19042 1 637 . 1 1 65 65 PRO HA H 1 4.712 0.010 . 1 . . . . 65 PRO HA . 19042 1 638 . 1 1 65 65 PRO HB2 H 1 2.201 0.015 . 2 . . . . 65 PRO HB2 . 19042 1 639 . 1 1 65 65 PRO HB3 H 1 2.203 0.015 . 2 . . . . 65 PRO HB3 . 19042 1 640 . 1 1 65 65 PRO HG2 H 1 1.970 0.007 . 2 . . . . 65 PRO HG2 . 19042 1 641 . 1 1 65 65 PRO HG3 H 1 1.980 0.011 . 2 . . . . 65 PRO HG3 . 19042 1 642 . 1 1 65 65 PRO C C 13 176.164 0.000 . 1 . . . . 65 PRO C . 19042 1 643 . 1 1 65 65 PRO CA C 13 62.018 0.097 . 1 . . . . 65 PRO CA . 19042 1 644 . 1 1 65 65 PRO CB C 13 32.223 0.068 . 1 . . . . 65 PRO CB . 19042 1 645 . 1 1 66 66 LEU H H 1 6.906 0.008 . 1 . . . . 66 LEU H . 19042 1 646 . 1 1 66 66 LEU HA H 1 3.934 0.008 . 1 . . . . 66 LEU HA . 19042 1 647 . 1 1 66 66 LEU HB2 H 1 1.440 0.020 . 2 . . . . 66 LEU HB2 . 19042 1 648 . 1 1 66 66 LEU HB3 H 1 1.074 0.016 . 2 . . . . 66 LEU HB3 . 19042 1 649 . 1 1 66 66 LEU HG H 1 1.360 0.016 . 1 . . . . 66 LEU HG . 19042 1 650 . 1 1 66 66 LEU HD11 H 1 0.794 0.025 . 2 . . . . 66 LEU HD11 . 19042 1 651 . 1 1 66 66 LEU HD12 H 1 0.794 0.025 . 2 . . . . 66 LEU HD12 . 19042 1 652 . 1 1 66 66 LEU HD13 H 1 0.794 0.025 . 2 . . . . 66 LEU HD13 . 19042 1 653 . 1 1 66 66 LEU HD21 H 1 0.686 0.018 . 2 . . . . 66 LEU HD21 . 19042 1 654 . 1 1 66 66 LEU HD22 H 1 0.686 0.018 . 2 . . . . 66 LEU HD22 . 19042 1 655 . 1 1 66 66 LEU HD23 H 1 0.686 0.018 . 2 . . . . 66 LEU HD23 . 19042 1 656 . 1 1 66 66 LEU C C 13 176.382 0.000 . 1 . . . . 66 LEU C . 19042 1 657 . 1 1 66 66 LEU CA C 13 55.410 0.063 . 1 . . . . 66 LEU CA . 19042 1 658 . 1 1 66 66 LEU CB C 13 43.030 0.076 . 1 . . . . 66 LEU CB . 19042 1 659 . 1 1 66 66 LEU N N 15 119.248 0.028 . 1 . . . . 66 LEU N . 19042 1 660 . 1 1 67 67 ASN H H 1 9.012 0.008 . 1 . . . . 67 ASN H . 19042 1 661 . 1 1 67 67 ASN HA H 1 5.214 0.008 . 1 . . . . 67 ASN HA . 19042 1 662 . 1 1 67 67 ASN HB2 H 1 2.867 0.010 . 2 . . . . 67 ASN HB2 . 19042 1 663 . 1 1 67 67 ASN HB3 H 1 3.129 0.016 . 2 . . . . 67 ASN HB3 . 19042 1 664 . 1 1 67 67 ASN HD21 H 1 7.533 0.003 . 1 . . . . 67 ASN HD21 . 19042 1 665 . 1 1 67 67 ASN HD22 H 1 6.825 0.007 . 1 . . . . 67 ASN HD22 . 19042 1 666 . 1 1 67 67 ASN C C 13 173.370 0.000 . 1 . . . . 67 ASN C . 19042 1 667 . 1 1 67 67 ASN CA C 13 53.667 0.051 . 1 . . . . 67 ASN CA . 19042 1 668 . 1 1 67 67 ASN CB C 13 36.647 0.085 . 1 . . . . 67 ASN CB . 19042 1 669 . 1 1 67 67 ASN N N 15 123.615 0.035 . 1 . . . . 67 ASN N . 19042 1 670 . 1 1 68 68 LEU H H 1 9.368 0.005 . 1 . . . . 68 LEU H . 19042 1 671 . 1 1 68 68 LEU HA H 1 5.599 0.006 . 1 . . . . 68 LEU HA . 19042 1 672 . 1 1 68 68 LEU HB2 H 1 1.544 0.018 . 2 . . . . 68 LEU HB2 . 19042 1 673 . 1 1 68 68 LEU HB3 H 1 1.532 0.008 . 2 . . . . 68 LEU HB3 . 19042 1 674 . 1 1 68 68 LEU HG H 1 1.696 0.021 . 1 . . . . 68 LEU HG . 19042 1 675 . 1 1 68 68 LEU HD11 H 1 0.951 0.012 . 2 . . . . 68 LEU HD11 . 19042 1 676 . 1 1 68 68 LEU HD12 H 1 0.951 0.012 . 2 . . . . 68 LEU HD12 . 19042 1 677 . 1 1 68 68 LEU HD13 H 1 0.951 0.012 . 2 . . . . 68 LEU HD13 . 19042 1 678 . 1 1 68 68 LEU HD21 H 1 0.821 0.014 . 2 . . . . 68 LEU HD21 . 19042 1 679 . 1 1 68 68 LEU HD22 H 1 0.821 0.014 . 2 . . . . 68 LEU HD22 . 19042 1 680 . 1 1 68 68 LEU HD23 H 1 0.821 0.014 . 2 . . . . 68 LEU HD23 . 19042 1 681 . 1 1 68 68 LEU C C 13 176.713 0.000 . 1 . . . . 68 LEU C . 19042 1 682 . 1 1 68 68 LEU CA C 13 54.307 0.040 . 1 . . . . 68 LEU CA . 19042 1 683 . 1 1 68 68 LEU CB C 13 46.485 0.047 . 1 . . . . 68 LEU CB . 19042 1 684 . 1 1 68 68 LEU N N 15 127.112 0.022 . 1 . . . . 68 LEU N . 19042 1 685 . 1 1 69 69 ALA H H 1 8.589 0.004 . 1 . . . . 69 ALA H . 19042 1 686 . 1 1 69 69 ALA HA H 1 5.099 0.006 . 1 . . . . 69 ALA HA . 19042 1 687 . 1 1 69 69 ALA HB1 H 1 1.180 0.007 . 1 . . . . 69 ALA HB1 . 19042 1 688 . 1 1 69 69 ALA HB2 H 1 1.180 0.007 . 1 . . . . 69 ALA HB2 . 19042 1 689 . 1 1 69 69 ALA HB3 H 1 1.180 0.007 . 1 . . . . 69 ALA HB3 . 19042 1 690 . 1 1 69 69 ALA C C 13 173.794 0.000 . 1 . . . . 69 ALA C . 19042 1 691 . 1 1 69 69 ALA CA C 13 51.421 0.073 . 1 . . . . 69 ALA CA . 19042 1 692 . 1 1 69 69 ALA CB C 13 21.576 0.058 . 1 . . . . 69 ALA CB . 19042 1 693 . 1 1 69 69 ALA N N 15 126.435 0.030 . 1 . . . . 69 ALA N . 19042 1 694 . 1 1 70 70 LEU H H 1 9.161 0.004 . 1 . . . . 70 LEU H . 19042 1 695 . 1 1 70 70 LEU HA H 1 4.856 0.009 . 1 . . . . 70 LEU HA . 19042 1 696 . 1 1 70 70 LEU HB2 H 1 1.599 0.014 . 2 . . . . 70 LEU HB2 . 19042 1 697 . 1 1 70 70 LEU HB3 H 1 0.800 0.023 . 2 . . . . 70 LEU HB3 . 19042 1 698 . 1 1 70 70 LEU HG H 1 1.375 0.014 . 1 . . . . 70 LEU HG . 19042 1 699 . 1 1 70 70 LEU HD11 H 1 0.432 0.008 . 2 . . . . 70 LEU HD11 . 19042 1 700 . 1 1 70 70 LEU HD12 H 1 0.432 0.008 . 2 . . . . 70 LEU HD12 . 19042 1 701 . 1 1 70 70 LEU HD13 H 1 0.432 0.008 . 2 . . . . 70 LEU HD13 . 19042 1 702 . 1 1 70 70 LEU HD21 H 1 0.746 0.014 . 2 . . . . 70 LEU HD21 . 19042 1 703 . 1 1 70 70 LEU HD22 H 1 0.746 0.014 . 2 . . . . 70 LEU HD22 . 19042 1 704 . 1 1 70 70 LEU HD23 H 1 0.746 0.014 . 2 . . . . 70 LEU HD23 . 19042 1 705 . 1 1 70 70 LEU C C 13 175.870 0.000 . 1 . . . . 70 LEU C . 19042 1 706 . 1 1 70 70 LEU CA C 13 53.978 0.033 . 1 . . . . 70 LEU CA . 19042 1 707 . 1 1 70 70 LEU CB C 13 43.623 0.133 . 1 . . . . 70 LEU CB . 19042 1 708 . 1 1 70 70 LEU N N 15 127.753 0.024 . 1 . . . . 70 LEU N . 19042 1 709 . 1 1 71 71 THR H H 1 8.028 0.004 . 1 . . . . 71 THR H . 19042 1 710 . 1 1 71 71 THR HA H 1 4.846 0.011 . 1 . . . . 71 THR HA . 19042 1 711 . 1 1 71 71 THR HB H 1 4.275 0.005 . 1 . . . . 71 THR HB . 19042 1 712 . 1 1 71 71 THR HG21 H 1 1.171 0.010 . 1 . . . . 71 THR HG21 . 19042 1 713 . 1 1 71 71 THR HG22 H 1 1.171 0.010 . 1 . . . . 71 THR HG22 . 19042 1 714 . 1 1 71 71 THR HG23 H 1 1.171 0.010 . 1 . . . . 71 THR HG23 . 19042 1 715 . 1 1 71 71 THR C C 13 171.916 0.000 . 1 . . . . 71 THR C . 19042 1 716 . 1 1 71 71 THR CA C 13 60.108 0.031 . 1 . . . . 71 THR CA . 19042 1 717 . 1 1 71 71 THR CB C 13 72.300 0.127 . 1 . . . . 71 THR CB . 19042 1 718 . 1 1 71 71 THR N N 15 110.440 0.032 . 1 . . . . 71 THR N . 19042 1 719 . 1 1 72 72 TRP H H 1 10.020 0.008 . 1 . . . . 72 TRP H . 19042 1 720 . 1 1 72 72 TRP HA H 1 4.635 0.010 . 1 . . . . 72 TRP HA . 19042 1 721 . 1 1 72 72 TRP HB2 H 1 2.595 0.015 . 2 . . . . 72 TRP HB2 . 19042 1 722 . 1 1 72 72 TRP HB3 H 1 2.898 0.008 . 2 . . . . 72 TRP HB3 . 19042 1 723 . 1 1 72 72 TRP HD1 H 1 5.061 0.011 . 1 . . . . 72 TRP HD1 . 19042 1 724 . 1 1 72 72 TRP HE1 H 1 8.300 0.003 . 1 . . . . 72 TRP HE1 . 19042 1 725 . 1 1 72 72 TRP HE3 H 1 8.004 0.010 . 1 . . . . 72 TRP HE3 . 19042 1 726 . 1 1 72 72 TRP HZ2 H 1 7.692 0.012 . 1 . . . . 72 TRP HZ2 . 19042 1 727 . 1 1 72 72 TRP HZ3 H 1 6.963 0.016 . 1 . . . . 72 TRP HZ3 . 19042 1 728 . 1 1 72 72 TRP HH2 H 1 6.959 0.008 . 1 . . . . 72 TRP HH2 . 19042 1 729 . 1 1 72 72 TRP C C 13 176.928 0.000 . 1 . . . . 72 TRP C . 19042 1 730 . 1 1 72 72 TRP CA C 13 58.282 0.111 . 1 . . . . 72 TRP CA . 19042 1 731 . 1 1 72 72 TRP CB C 13 33.127 0.041 . 1 . . . . 72 TRP CB . 19042 1 732 . 1 1 72 72 TRP N N 15 121.677 0.031 . 1 . . . . 72 TRP N . 19042 1 733 . 1 1 73 73 ASN H H 1 8.945 0.004 . 1 . . . . 73 ASN H . 19042 1 734 . 1 1 73 73 ASN HA H 1 4.620 0.015 . 1 . . . . 73 ASN HA . 19042 1 735 . 1 1 73 73 ASN HB2 H 1 2.604 0.015 . 2 . . . . 73 ASN HB2 . 19042 1 736 . 1 1 73 73 ASN HB3 H 1 2.576 0.010 . 2 . . . . 73 ASN HB3 . 19042 1 737 . 1 1 73 73 ASN HD21 H 1 7.855 0.002 . 1 . . . . 73 ASN HD21 . 19042 1 738 . 1 1 73 73 ASN HD22 H 1 7.213 0.005 . 1 . . . . 73 ASN HD22 . 19042 1 739 . 1 1 73 73 ASN C C 13 176.658 0.000 . 1 . . . . 73 ASN C . 19042 1 740 . 1 1 73 73 ASN CA C 13 53.132 0.082 . 1 . . . . 73 ASN CA . 19042 1 741 . 1 1 73 73 ASN CB C 13 39.617 0.047 . 1 . . . . 73 ASN CB . 19042 1 742 . 1 1 73 73 ASN N N 15 122.374 0.046 . 1 . . . . 73 ASN N . 19042 1 743 . 1 1 74 74 THR H H 1 9.065 0.010 . 1 . . . . 74 THR H . 19042 1 744 . 1 1 74 74 THR HA H 1 3.689 0.006 . 1 . . . . 74 THR HA . 19042 1 745 . 1 1 74 74 THR HB H 1 4.190 0.008 . 1 . . . . 74 THR HB . 19042 1 746 . 1 1 74 74 THR HG21 H 1 1.272 0.013 . 1 . . . . 74 THR HG21 . 19042 1 747 . 1 1 74 74 THR HG22 H 1 1.272 0.013 . 1 . . . . 74 THR HG22 . 19042 1 748 . 1 1 74 74 THR HG23 H 1 1.272 0.013 . 1 . . . . 74 THR HG23 . 19042 1 749 . 1 1 74 74 THR C C 13 174.955 0.000 . 1 . . . . 74 THR C . 19042 1 750 . 1 1 74 74 THR CA C 13 66.872 0.100 . 1 . . . . 74 THR CA . 19042 1 751 . 1 1 74 74 THR CB C 13 68.966 0.050 . 1 . . . . 74 THR CB . 19042 1 752 . 1 1 74 74 THR N N 15 124.193 0.022 . 1 . . . . 74 THR N . 19042 1 753 . 1 1 75 75 ASP H H 1 8.298 0.006 . 1 . . . . 75 ASP H . 19042 1 754 . 1 1 75 75 ASP HA H 1 4.357 0.005 . 1 . . . . 75 ASP HA . 19042 1 755 . 1 1 75 75 ASP HB2 H 1 2.752 0.026 . 2 . . . . 75 ASP HB2 . 19042 1 756 . 1 1 75 75 ASP HB3 H 1 2.713 0.014 . 2 . . . . 75 ASP HB3 . 19042 1 757 . 1 1 75 75 ASP C C 13 179.372 0.000 . 1 . . . . 75 ASP C . 19042 1 758 . 1 1 75 75 ASP CA C 13 57.320 0.065 . 1 . . . . 75 ASP CA . 19042 1 759 . 1 1 75 75 ASP CB C 13 39.698 0.050 . 1 . . . . 75 ASP CB . 19042 1 760 . 1 1 75 75 ASP N N 15 120.877 0.026 . 1 . . . . 75 ASP N . 19042 1 761 . 1 1 76 76 GLU H H 1 7.650 0.009 . 1 . . . . 76 GLU H . 19042 1 762 . 1 1 76 76 GLU HA H 1 4.091 0.020 . 1 . . . . 76 GLU HA . 19042 1 763 . 1 1 76 76 GLU HB2 H 1 2.490 0.012 . 2 . . . . 76 GLU HB2 . 19042 1 764 . 1 1 76 76 GLU HB3 H 1 2.490 0.012 . 2 . . . . 76 GLU HB3 . 19042 1 765 . 1 1 76 76 GLU HG2 H 1 2.412 0.018 . 2 . . . . 76 GLU HG2 . 19042 1 766 . 1 1 76 76 GLU HG3 H 1 2.411 0.022 . 2 . . . . 76 GLU HG3 . 19042 1 767 . 1 1 76 76 GLU C C 13 179.017 0.000 . 1 . . . . 76 GLU C . 19042 1 768 . 1 1 76 76 GLU CA C 13 58.430 0.135 . 1 . . . . 76 GLU CA . 19042 1 769 . 1 1 76 76 GLU CB C 13 28.445 0.120 . 1 . . . . 76 GLU CB . 19042 1 770 . 1 1 76 76 GLU N N 15 119.528 0.016 . 1 . . . . 76 GLU N . 19042 1 771 . 1 1 77 77 ILE H H 1 7.898 0.010 . 1 . . . . 77 ILE H . 19042 1 772 . 1 1 77 77 ILE HA H 1 3.157 0.010 . 1 . . . . 77 ILE HA . 19042 1 773 . 1 1 77 77 ILE HB H 1 1.660 0.010 . 1 . . . . 77 ILE HB . 19042 1 774 . 1 1 77 77 ILE HG13 H 1 1.536 0.016 . 2 . . . . 77 ILE HG13 . 19042 1 775 . 1 1 77 77 ILE HG21 H 1 0.265 0.018 . 1 . . . . 77 ILE HG21 . 19042 1 776 . 1 1 77 77 ILE HG22 H 1 0.265 0.018 . 1 . . . . 77 ILE HG22 . 19042 1 777 . 1 1 77 77 ILE HG23 H 1 0.265 0.018 . 1 . . . . 77 ILE HG23 . 19042 1 778 . 1 1 77 77 ILE HD11 H 1 0.378 0.013 . 1 . . . . 77 ILE HD11 . 19042 1 779 . 1 1 77 77 ILE HD12 H 1 0.378 0.013 . 1 . . . . 77 ILE HD12 . 19042 1 780 . 1 1 77 77 ILE HD13 H 1 0.378 0.013 . 1 . . . . 77 ILE HD13 . 19042 1 781 . 1 1 77 77 ILE C C 13 178.024 0.000 . 1 . . . . 77 ILE C . 19042 1 782 . 1 1 77 77 ILE CA C 13 66.106 0.157 . 1 . . . . 77 ILE CA . 19042 1 783 . 1 1 77 77 ILE CB C 13 37.972 0.049 . 1 . . . . 77 ILE CB . 19042 1 784 . 1 1 77 77 ILE N N 15 122.852 0.059 . 1 . . . . 77 ILE N . 19042 1 785 . 1 1 78 78 GLU H H 1 8.119 0.007 . 1 . . . . 78 GLU H . 19042 1 786 . 1 1 78 78 GLU HA H 1 3.846 0.015 . 1 . . . . 78 GLU HA . 19042 1 787 . 1 1 78 78 GLU HB2 H 1 2.076 0.015 . 2 . . . . 78 GLU HB2 . 19042 1 788 . 1 1 78 78 GLU HB3 H 1 2.038 0.021 . 2 . . . . 78 GLU HB3 . 19042 1 789 . 1 1 78 78 GLU HG2 H 1 2.231 0.016 . 2 . . . . 78 GLU HG2 . 19042 1 790 . 1 1 78 78 GLU HG3 H 1 2.456 0.020 . 2 . . . . 78 GLU HG3 . 19042 1 791 . 1 1 78 78 GLU C C 13 180.607 0.000 . 1 . . . . 78 GLU C . 19042 1 792 . 1 1 78 78 GLU CA C 13 59.822 0.088 . 1 . . . . 78 GLU CA . 19042 1 793 . 1 1 78 78 GLU CB C 13 28.839 0.121 . 1 . . . . 78 GLU CB . 19042 1 794 . 1 1 78 78 GLU N N 15 117.879 0.040 . 1 . . . . 78 GLU N . 19042 1 795 . 1 1 79 79 ARG H H 1 7.544 0.004 . 1 . . . . 79 ARG H . 19042 1 796 . 1 1 79 79 ARG HA H 1 4.085 0.013 . 1 . . . . 79 ARG HA . 19042 1 797 . 1 1 79 79 ARG HB2 H 1 1.928 0.007 . 2 . . . . 79 ARG HB2 . 19042 1 798 . 1 1 79 79 ARG HB3 H 1 1.928 0.008 . 2 . . . . 79 ARG HB3 . 19042 1 799 . 1 1 79 79 ARG HG2 H 1 1.649 0.021 . 2 . . . . 79 ARG HG2 . 19042 1 800 . 1 1 79 79 ARG HG3 H 1 1.650 0.024 . 2 . . . . 79 ARG HG3 . 19042 1 801 . 1 1 79 79 ARG HD2 H 1 3.226 0.012 . 2 . . . . 79 ARG HD2 . 19042 1 802 . 1 1 79 79 ARG HD3 H 1 3.224 0.013 . 2 . . . . 79 ARG HD3 . 19042 1 803 . 1 1 79 79 ARG C C 13 179.398 0.000 . 1 . . . . 79 ARG C . 19042 1 804 . 1 1 79 79 ARG CA C 13 58.897 0.089 . 1 . . . . 79 ARG CA . 19042 1 805 . 1 1 79 79 ARG CB C 13 30.323 0.116 . 1 . . . . 79 ARG CB . 19042 1 806 . 1 1 79 79 ARG N N 15 119.003 0.027 . 1 . . . . 79 ARG N . 19042 1 807 . 1 1 80 80 LEU H H 1 7.447 0.010 . 1 . . . . 80 LEU H . 19042 1 808 . 1 1 80 80 LEU HA H 1 3.749 0.028 . 1 . . . . 80 LEU HA . 19042 1 809 . 1 1 80 80 LEU HB2 H 1 1.336 0.035 . 2 . . . . 80 LEU HB2 . 19042 1 810 . 1 1 80 80 LEU HB3 H 1 0.640 0.008 . 2 . . . . 80 LEU HB3 . 19042 1 811 . 1 1 80 80 LEU HD11 H 1 0.039 0.022 . 2 . . . . 80 LEU HD11 . 19042 1 812 . 1 1 80 80 LEU HD12 H 1 0.039 0.022 . 2 . . . . 80 LEU HD12 . 19042 1 813 . 1 1 80 80 LEU HD13 H 1 0.039 0.022 . 2 . . . . 80 LEU HD13 . 19042 1 814 . 1 1 80 80 LEU HD21 H 1 1.268 0.017 . 2 . . . . 80 LEU HD21 . 19042 1 815 . 1 1 80 80 LEU HD22 H 1 1.268 0.017 . 2 . . . . 80 LEU HD22 . 19042 1 816 . 1 1 80 80 LEU HD23 H 1 1.268 0.017 . 2 . . . . 80 LEU HD23 . 19042 1 817 . 1 1 80 80 LEU C C 13 176.232 0.000 . 1 . . . . 80 LEU C . 19042 1 818 . 1 1 80 80 LEU CA C 13 56.534 0.050 . 1 . . . . 80 LEU CA . 19042 1 819 . 1 1 80 80 LEU CB C 13 40.914 0.152 . 1 . . . . 80 LEU CB . 19042 1 820 . 1 1 80 80 LEU N N 15 119.647 0.023 . 1 . . . . 80 LEU N . 19042 1 821 . 1 1 81 81 MET H H 1 7.271 0.005 . 1 . . . . 81 MET H . 19042 1 822 . 1 1 81 81 MET HA H 1 4.462 0.009 . 1 . . . . 81 MET HA . 19042 1 823 . 1 1 81 81 MET HB2 H 1 2.162 0.023 . 2 . . . . 81 MET HB2 . 19042 1 824 . 1 1 81 81 MET HB3 H 1 2.161 0.023 . 2 . . . . 81 MET HB3 . 19042 1 825 . 1 1 81 81 MET HG2 H 1 2.537 0.023 . 2 . . . . 81 MET HG2 . 19042 1 826 . 1 1 81 81 MET HG3 H 1 3.101 0.008 . 2 . . . . 81 MET HG3 . 19042 1 827 . 1 1 81 81 MET C C 13 178.311 0.000 . 1 . . . . 81 MET C . 19042 1 828 . 1 1 81 81 MET CA C 13 53.477 0.042 . 1 . . . . 81 MET CA . 19042 1 829 . 1 1 81 81 MET CB C 13 31.303 0.045 . 1 . . . . 81 MET CB . 19042 1 830 . 1 1 81 81 MET N N 15 111.357 0.036 . 1 . . . . 81 MET N . 19042 1 831 . 1 1 82 82 GLU H H 1 7.086 0.004 . 1 . . . . 82 GLU H . 19042 1 832 . 1 1 82 82 GLU HA H 1 4.408 0.006 . 1 . . . . 82 GLU HA . 19042 1 833 . 1 1 82 82 GLU HB2 H 1 2.358 0.009 . 2 . . . . 82 GLU HB2 . 19042 1 834 . 1 1 82 82 GLU HB3 H 1 2.063 0.016 . 2 . . . . 82 GLU HB3 . 19042 1 835 . 1 1 82 82 GLU HG2 H 1 2.479 0.006 . 2 . . . . 82 GLU HG2 . 19042 1 836 . 1 1 82 82 GLU HG3 H 1 2.339 0.014 . 2 . . . . 82 GLU HG3 . 19042 1 837 . 1 1 82 82 GLU C C 13 177.885 0.000 . 1 . . . . 82 GLU C . 19042 1 838 . 1 1 82 82 GLU CA C 13 55.561 0.069 . 1 . . . . 82 GLU CA . 19042 1 839 . 1 1 82 82 GLU CB C 13 30.944 0.093 . 1 . . . . 82 GLU CB . 19042 1 840 . 1 1 82 82 GLU N N 15 118.575 0.048 . 1 . . . . 82 GLU N . 19042 1 841 . 1 1 83 83 ALA H H 1 8.958 0.005 . 1 . . . . 83 ALA H . 19042 1 842 . 1 1 83 83 ALA HA H 1 4.171 0.013 . 1 . . . . 83 ALA HA . 19042 1 843 . 1 1 83 83 ALA HB1 H 1 1.524 0.010 . 1 . . . . 83 ALA HB1 . 19042 1 844 . 1 1 83 83 ALA HB2 H 1 1.524 0.010 . 1 . . . . 83 ALA HB2 . 19042 1 845 . 1 1 83 83 ALA HB3 H 1 1.524 0.010 . 1 . . . . 83 ALA HB3 . 19042 1 846 . 1 1 83 83 ALA C C 13 179.310 0.000 . 1 . . . . 83 ALA C . 19042 1 847 . 1 1 83 83 ALA CA C 13 55.890 0.071 . 1 . . . . 83 ALA CA . 19042 1 848 . 1 1 83 83 ALA CB C 13 18.229 0.054 . 1 . . . . 83 ALA CB . 19042 1 849 . 1 1 83 83 ALA N N 15 124.645 0.063 . 1 . . . . 83 ALA N . 19042 1 850 . 1 1 84 84 ASP H H 1 8.519 0.012 . 1 . . . . 84 ASP H . 19042 1 851 . 1 1 84 84 ASP HA H 1 4.817 0.005 . 1 . . . . 84 ASP HA . 19042 1 852 . 1 1 84 84 ASP HB2 H 1 2.726 0.003 . 2 . . . . 84 ASP HB2 . 19042 1 853 . 1 1 84 84 ASP HB3 H 1 2.940 0.011 . 2 . . . . 84 ASP HB3 . 19042 1 854 . 1 1 84 84 ASP C C 13 177.207 0.000 . 1 . . . . 84 ASP C . 19042 1 855 . 1 1 84 84 ASP CA C 13 54.068 0.041 . 1 . . . . 84 ASP CA . 19042 1 856 . 1 1 84 84 ASP CB C 13 39.860 0.085 . 1 . . . . 84 ASP CB . 19042 1 857 . 1 1 84 84 ASP N N 15 116.525 0.041 . 1 . . . . 84 ASP N . 19042 1 858 . 1 1 85 85 GLY H H 1 8.342 0.017 . 1 . . . . 85 GLY H . 19042 1 859 . 1 1 85 85 GLY HA2 H 1 3.686 0.015 . 2 . . . . 85 GLY HA2 . 19042 1 860 . 1 1 85 85 GLY HA3 H 1 4.372 0.009 . 2 . . . . 85 GLY HA3 . 19042 1 861 . 1 1 85 85 GLY C C 13 175.603 0.000 . 1 . . . . 85 GLY C . 19042 1 862 . 1 1 85 85 GLY CA C 13 47.532 0.072 . 1 . . . . 85 GLY CA . 19042 1 863 . 1 1 85 85 GLY N N 15 110.327 0.036 . 1 . . . . 85 GLY N . 19042 1 864 . 1 1 86 86 ALA H H 1 8.378 0.004 . 1 . . . . 86 ALA H . 19042 1 865 . 1 1 86 86 ALA HA H 1 4.280 0.004 . 1 . . . . 86 ALA HA . 19042 1 866 . 1 1 86 86 ALA HB1 H 1 1.601 0.008 . 1 . . . . 86 ALA HB1 . 19042 1 867 . 1 1 86 86 ALA HB2 H 1 1.601 0.008 . 1 . . . . 86 ALA HB2 . 19042 1 868 . 1 1 86 86 ALA HB3 H 1 1.601 0.008 . 1 . . . . 86 ALA HB3 . 19042 1 869 . 1 1 86 86 ALA C C 13 180.709 0.000 . 1 . . . . 86 ALA C . 19042 1 870 . 1 1 86 86 ALA CA C 13 55.883 0.224 . 1 . . . . 86 ALA CA . 19042 1 871 . 1 1 86 86 ALA CB C 13 17.766 0.032 . 1 . . . . 86 ALA CB . 19042 1 872 . 1 1 86 86 ALA N N 15 124.069 0.025 . 1 . . . . 86 ALA N . 19042 1 873 . 1 1 87 87 ALA H H 1 8.188 0.003 . 1 . . . . 87 ALA H . 19042 1 874 . 1 1 87 87 ALA HA H 1 4.238 0.019 . 1 . . . . 87 ALA HA . 19042 1 875 . 1 1 87 87 ALA HB1 H 1 1.514 0.009 . 1 . . . . 87 ALA HB1 . 19042 1 876 . 1 1 87 87 ALA HB2 H 1 1.514 0.009 . 1 . . . . 87 ALA HB2 . 19042 1 877 . 1 1 87 87 ALA HB3 H 1 1.514 0.009 . 1 . . . . 87 ALA HB3 . 19042 1 878 . 1 1 87 87 ALA C C 13 181.080 0.000 . 1 . . . . 87 ALA C . 19042 1 879 . 1 1 87 87 ALA CA C 13 54.882 0.051 . 1 . . . . 87 ALA CA . 19042 1 880 . 1 1 87 87 ALA CB C 13 18.154 0.093 . 1 . . . . 87 ALA CB . 19042 1 881 . 1 1 87 87 ALA N N 15 121.754 0.024 . 1 . . . . 87 ALA N . 19042 1 882 . 1 1 88 88 ARG H H 1 7.876 0.003 . 1 . . . . 88 ARG H . 19042 1 883 . 1 1 88 88 ARG HA H 1 3.956 0.008 . 1 . . . . 88 ARG HA . 19042 1 884 . 1 1 88 88 ARG HB2 H 1 1.985 0.020 . 2 . . . . 88 ARG HB2 . 19042 1 885 . 1 1 88 88 ARG HB3 H 1 1.988 0.020 . 2 . . . . 88 ARG HB3 . 19042 1 886 . 1 1 88 88 ARG HG2 H 1 1.394 0.024 . 2 . . . . 88 ARG HG2 . 19042 1 887 . 1 1 88 88 ARG HG3 H 1 1.414 0.032 . 2 . . . . 88 ARG HG3 . 19042 1 888 . 1 1 88 88 ARG HD2 H 1 3.215 0.020 . 2 . . . . 88 ARG HD2 . 19042 1 889 . 1 1 88 88 ARG HD3 H 1 3.215 0.020 . 2 . . . . 88 ARG HD3 . 19042 1 890 . 1 1 88 88 ARG C C 13 179.714 0.000 . 1 . . . . 88 ARG C . 19042 1 891 . 1 1 88 88 ARG CA C 13 60.089 0.041 . 1 . . . . 88 ARG CA . 19042 1 892 . 1 1 88 88 ARG CB C 13 29.798 0.121 . 1 . . . . 88 ARG CB . 19042 1 893 . 1 1 88 88 ARG N N 15 120.293 0.035 . 1 . . . . 88 ARG N . 19042 1 894 . 1 1 89 89 PHE H H 1 9.113 0.021 . 1 . . . . 89 PHE H . 19042 1 895 . 1 1 89 89 PHE HA H 1 4.229 0.015 . 1 . . . . 89 PHE HA . 19042 1 896 . 1 1 89 89 PHE HB2 H 1 3.388 0.014 . 2 . . . . 89 PHE HB2 . 19042 1 897 . 1 1 89 89 PHE HB3 H 1 3.233 0.014 . 2 . . . . 89 PHE HB3 . 19042 1 898 . 1 1 89 89 PHE HD1 H 1 7.095 0.012 . 3 . . . . 89 PHE HD1 . 19042 1 899 . 1 1 89 89 PHE HD2 H 1 7.095 0.012 . 3 . . . . 89 PHE HD2 . 19042 1 900 . 1 1 89 89 PHE HE1 H 1 7.147 0.009 . 3 . . . . 89 PHE HE1 . 19042 1 901 . 1 1 89 89 PHE HE2 H 1 7.147 0.009 . 3 . . . . 89 PHE HE2 . 19042 1 902 . 1 1 89 89 PHE HZ H 1 7.503 0.008 . 1 . . . . 89 PHE HZ . 19042 1 903 . 1 1 89 89 PHE C C 13 176.859 0.000 . 1 . . . . 89 PHE C . 19042 1 904 . 1 1 89 89 PHE CA C 13 61.895 0.048 . 1 . . . . 89 PHE CA . 19042 1 905 . 1 1 89 89 PHE CB C 13 38.900 0.126 . 1 . . . . 89 PHE CB . 19042 1 906 . 1 1 89 89 PHE N N 15 122.483 0.237 . 1 . . . . 89 PHE N . 19042 1 907 . 1 1 90 90 GLU H H 1 8.263 0.005 . 1 . . . . 90 GLU H . 19042 1 908 . 1 1 90 90 GLU HA H 1 3.910 0.005 . 1 . . . . 90 GLU HA . 19042 1 909 . 1 1 90 90 GLU HB2 H 1 2.187 0.012 . 2 . . . . 90 GLU HB2 . 19042 1 910 . 1 1 90 90 GLU HB3 H 1 2.184 0.010 . 2 . . . . 90 GLU HB3 . 19042 1 911 . 1 1 90 90 GLU HG2 H 1 2.554 0.005 . 2 . . . . 90 GLU HG2 . 19042 1 912 . 1 1 90 90 GLU HG3 H 1 2.554 0.005 . 2 . . . . 90 GLU HG3 . 19042 1 913 . 1 1 90 90 GLU C C 13 180.539 0.000 . 1 . . . . 90 GLU C . 19042 1 914 . 1 1 90 90 GLU CA C 13 59.584 0.033 . 1 . . . . 90 GLU CA . 19042 1 915 . 1 1 90 90 GLU CB C 13 28.836 0.126 . 1 . . . . 90 GLU CB . 19042 1 916 . 1 1 90 90 GLU N N 15 118.548 0.017 . 1 . . . . 90 GLU N . 19042 1 917 . 1 1 91 91 ARG H H 1 7.780 0.003 . 1 . . . . 91 ARG H . 19042 1 918 . 1 1 91 91 ARG HA H 1 4.070 0.007 . 1 . . . . 91 ARG HA . 19042 1 919 . 1 1 91 91 ARG HB2 H 1 1.821 0.008 . 2 . . . . 91 ARG HB2 . 19042 1 920 . 1 1 91 91 ARG HB3 H 1 2.022 0.026 . 2 . . . . 91 ARG HB3 . 19042 1 921 . 1 1 91 91 ARG HG2 H 1 1.563 0.022 . 2 . . . . 91 ARG HG2 . 19042 1 922 . 1 1 91 91 ARG HG3 H 1 1.562 0.021 . 2 . . . . 91 ARG HG3 . 19042 1 923 . 1 1 91 91 ARG HD2 H 1 3.286 0.045 . 2 . . . . 91 ARG HD2 . 19042 1 924 . 1 1 91 91 ARG HD3 H 1 3.353 0.017 . 2 . . . . 91 ARG HD3 . 19042 1 925 . 1 1 91 91 ARG C C 13 178.639 0.000 . 1 . . . . 91 ARG C . 19042 1 926 . 1 1 91 91 ARG CA C 13 59.636 0.027 . 1 . . . . 91 ARG CA . 19042 1 927 . 1 1 91 91 ARG CB C 13 30.370 0.109 . 1 . . . . 91 ARG CB . 19042 1 928 . 1 1 91 91 ARG N N 15 119.506 0.020 . 1 . . . . 91 ARG N . 19042 1 929 . 1 1 92 92 TYR H H 1 8.057 0.004 . 1 . . . . 92 TYR H . 19042 1 930 . 1 1 92 92 TYR HA H 1 3.943 0.014 . 1 . . . . 92 TYR HA . 19042 1 931 . 1 1 92 92 TYR HB2 H 1 3.253 0.016 . 2 . . . . 92 TYR HB2 . 19042 1 932 . 1 1 92 92 TYR HB3 H 1 3.319 0.038 . 2 . . . . 92 TYR HB3 . 19042 1 933 . 1 1 92 92 TYR HD1 H 1 6.879 0.014 . 3 . . . . 92 TYR HD1 . 19042 1 934 . 1 1 92 92 TYR HD2 H 1 6.879 0.014 . 3 . . . . 92 TYR HD2 . 19042 1 935 . 1 1 92 92 TYR HE1 H 1 7.085 0.022 . 3 . . . . 92 TYR HE1 . 19042 1 936 . 1 1 92 92 TYR HE2 H 1 7.085 0.022 . 3 . . . . 92 TYR HE2 . 19042 1 937 . 1 1 92 92 TYR C C 13 177.490 0.000 . 1 . . . . 92 TYR C . 19042 1 938 . 1 1 92 92 TYR CA C 13 62.106 0.087 . 1 . . . . 92 TYR CA . 19042 1 939 . 1 1 92 92 TYR CB C 13 37.788 0.127 . 1 . . . . 92 TYR CB . 19042 1 940 . 1 1 92 92 TYR N N 15 123.217 0.029 . 1 . . . . 92 TYR N . 19042 1 941 . 1 1 93 93 LEU H H 1 8.116 0.008 . 1 . . . . 93 LEU H . 19042 1 942 . 1 1 93 93 LEU HA H 1 3.609 0.043 . 1 . . . . 93 LEU HA . 19042 1 943 . 1 1 93 93 LEU HB2 H 1 1.753 0.007 . 2 . . . . 93 LEU HB2 . 19042 1 944 . 1 1 93 93 LEU HB3 H 1 1.210 0.011 . 2 . . . . 93 LEU HB3 . 19042 1 945 . 1 1 93 93 LEU HG H 1 0.695 0.012 . 1 . . . . 93 LEU HG . 19042 1 946 . 1 1 93 93 LEU HD11 H 1 1.132 0.017 . 2 . . . . 93 LEU HD11 . 19042 1 947 . 1 1 93 93 LEU HD12 H 1 1.132 0.017 . 2 . . . . 93 LEU HD12 . 19042 1 948 . 1 1 93 93 LEU HD13 H 1 1.132 0.017 . 2 . . . . 93 LEU HD13 . 19042 1 949 . 1 1 93 93 LEU HD21 H 1 1.126 0.017 . 2 . . . . 93 LEU HD21 . 19042 1 950 . 1 1 93 93 LEU HD22 H 1 1.126 0.017 . 2 . . . . 93 LEU HD22 . 19042 1 951 . 1 1 93 93 LEU HD23 H 1 1.126 0.017 . 2 . . . . 93 LEU HD23 . 19042 1 952 . 1 1 93 93 LEU C C 13 180.757 0.000 . 1 . . . . 93 LEU C . 19042 1 953 . 1 1 93 93 LEU CA C 13 57.399 0.187 . 1 . . . . 93 LEU CA . 19042 1 954 . 1 1 93 93 LEU CB C 13 41.293 0.104 . 1 . . . . 93 LEU CB . 19042 1 955 . 1 1 93 93 LEU N N 15 117.088 0.053 . 1 . . . . 93 LEU N . 19042 1 956 . 1 1 94 94 ALA H H 1 7.374 0.028 . 1 . . . . 94 ALA H . 19042 1 957 . 1 1 94 94 ALA HA H 1 4.090 0.009 . 1 . . . . 94 ALA HA . 19042 1 958 . 1 1 94 94 ALA HB1 H 1 1.471 0.005 . 1 . . . . 94 ALA HB1 . 19042 1 959 . 1 1 94 94 ALA HB2 H 1 1.471 0.005 . 1 . . . . 94 ALA HB2 . 19042 1 960 . 1 1 94 94 ALA HB3 H 1 1.471 0.005 . 1 . . . . 94 ALA HB3 . 19042 1 961 . 1 1 94 94 ALA C C 13 178.061 0.000 . 1 . . . . 94 ALA C . 19042 1 962 . 1 1 94 94 ALA CA C 13 53.741 0.079 . 1 . . . . 94 ALA CA . 19042 1 963 . 1 1 94 94 ALA CB C 13 18.135 0.062 . 1 . . . . 94 ALA CB . 19042 1 964 . 1 1 94 94 ALA N N 15 119.558 0.154 . 1 . . . . 94 ALA N . 19042 1 965 . 1 1 95 95 ALA H H 1 7.463 0.008 . 1 . . . . 95 ALA H . 19042 1 966 . 1 1 95 95 ALA HA H 1 4.437 0.005 . 1 . . . . 95 ALA HA . 19042 1 967 . 1 1 95 95 ALA HB1 H 1 1.478 0.011 . 1 . . . . 95 ALA HB1 . 19042 1 968 . 1 1 95 95 ALA HB2 H 1 1.478 0.011 . 1 . . . . 95 ALA HB2 . 19042 1 969 . 1 1 95 95 ALA HB3 H 1 1.478 0.011 . 1 . . . . 95 ALA HB3 . 19042 1 970 . 1 1 95 95 ALA C C 13 178.065 0.000 . 1 . . . . 95 ALA C . 19042 1 971 . 1 1 95 95 ALA CA C 13 51.549 0.027 . 1 . . . . 95 ALA CA . 19042 1 972 . 1 1 95 95 ALA CB C 13 19.635 0.048 . 1 . . . . 95 ALA CB . 19042 1 973 . 1 1 95 95 ALA N N 15 119.924 0.041 . 1 . . . . 95 ALA N . 19042 1 974 . 1 1 96 96 LEU H H 1 7.205 0.008 . 1 . . . . 96 LEU H . 19042 1 975 . 1 1 96 96 LEU HA H 1 3.711 0.023 . 1 . . . . 96 LEU HA . 19042 1 976 . 1 1 96 96 LEU HB2 H 1 1.859 0.020 . 2 . . . . 96 LEU HB2 . 19042 1 977 . 1 1 96 96 LEU HB3 H 1 0.960 0.023 . 2 . . . . 96 LEU HB3 . 19042 1 978 . 1 1 96 96 LEU HG H 1 0.922 0.042 . 1 . . . . 96 LEU HG . 19042 1 979 . 1 1 96 96 LEU HD11 H 1 0.659 0.014 . 2 . . . . 96 LEU HD11 . 19042 1 980 . 1 1 96 96 LEU HD12 H 1 0.659 0.014 . 2 . . . . 96 LEU HD12 . 19042 1 981 . 1 1 96 96 LEU HD13 H 1 0.659 0.014 . 2 . . . . 96 LEU HD13 . 19042 1 982 . 1 1 96 96 LEU HD21 H 1 1.645 0.027 . 2 . . . . 96 LEU HD21 . 19042 1 983 . 1 1 96 96 LEU HD22 H 1 1.645 0.027 . 2 . . . . 96 LEU HD22 . 19042 1 984 . 1 1 96 96 LEU HD23 H 1 1.645 0.027 . 2 . . . . 96 LEU HD23 . 19042 1 985 . 1 1 96 96 LEU CA C 13 59.263 0.054 . 1 . . . . 96 LEU CA . 19042 1 986 . 1 1 96 96 LEU CB C 13 40.679 0.099 . 1 . . . . 96 LEU CB . 19042 1 987 . 1 1 96 96 LEU N N 15 121.517 0.017 . 1 . . . . 96 LEU N . 19042 1 988 . 1 1 97 97 PRO HA H 1 4.040 0.010 . 1 . . . . 97 PRO HA . 19042 1 989 . 1 1 97 97 PRO HB2 H 1 2.340 0.008 . 2 . . . . 97 PRO HB2 . 19042 1 990 . 1 1 97 97 PRO HB3 H 1 2.340 0.008 . 2 . . . . 97 PRO HB3 . 19042 1 991 . 1 1 97 97 PRO HG2 H 1 1.812 0.012 . 2 . . . . 97 PRO HG2 . 19042 1 992 . 1 1 97 97 PRO HG3 H 1 1.813 0.012 . 2 . . . . 97 PRO HG3 . 19042 1 993 . 1 1 97 97 PRO C C 13 179.687 0.000 . 1 . . . . 97 PRO C . 19042 1 994 . 1 1 97 97 PRO CA C 13 67.229 0.093 . 1 . . . . 97 PRO CA . 19042 1 995 . 1 1 97 97 PRO CB C 13 30.930 0.037 . 1 . . . . 97 PRO CB . 19042 1 996 . 1 1 98 98 ARG H H 1 7.345 0.005 . 1 . . . . 98 ARG H . 19042 1 997 . 1 1 98 98 ARG HA H 1 4.087 0.008 . 1 . . . . 98 ARG HA . 19042 1 998 . 1 1 98 98 ARG HB2 H 1 1.895 0.042 . 2 . . . . 98 ARG HB2 . 19042 1 999 . 1 1 98 98 ARG HB3 H 1 1.972 0.023 . 2 . . . . 98 ARG HB3 . 19042 1 1000 . 1 1 98 98 ARG HG2 H 1 1.665 0.018 . 2 . . . . 98 ARG HG2 . 19042 1 1001 . 1 1 98 98 ARG HG3 H 1 1.665 0.017 . 2 . . . . 98 ARG HG3 . 19042 1 1002 . 1 1 98 98 ARG HD2 H 1 3.238 0.008 . 2 . . . . 98 ARG HD2 . 19042 1 1003 . 1 1 98 98 ARG HD3 H 1 3.242 0.011 . 2 . . . . 98 ARG HD3 . 19042 1 1004 . 1 1 98 98 ARG C C 13 179.476 0.000 . 1 . . . . 98 ARG C . 19042 1 1005 . 1 1 98 98 ARG CA C 13 58.389 0.073 . 1 . . . . 98 ARG CA . 19042 1 1006 . 1 1 98 98 ARG CB C 13 29.980 0.158 . 1 . . . . 98 ARG CB . 19042 1 1007 . 1 1 98 98 ARG N N 15 115.813 0.047 . 1 . . . . 98 ARG N . 19042 1 1008 . 1 1 99 99 LYS H H 1 7.554 0.004 . 1 . . . . 99 LYS H . 19042 1 1009 . 1 1 99 99 LYS HA H 1 3.563 0.012 . 1 . . . . 99 LYS HA . 19042 1 1010 . 1 1 99 99 LYS HB2 H 1 1.368 0.042 . 2 . . . . 99 LYS HB2 . 19042 1 1011 . 1 1 99 99 LYS HB3 H 1 0.649 0.007 . 2 . . . . 99 LYS HB3 . 19042 1 1012 . 1 1 99 99 LYS C C 13 176.972 0.000 . 1 . . . . 99 LYS C . 19042 1 1013 . 1 1 99 99 LYS CA C 13 57.102 0.120 . 1 . . . . 99 LYS CA . 19042 1 1014 . 1 1 99 99 LYS CB C 13 29.770 0.029 . 1 . . . . 99 LYS CB . 19042 1 1015 . 1 1 99 99 LYS N N 15 121.947 0.042 . 1 . . . . 99 LYS N . 19042 1 1016 . 1 1 100 100 LEU H H 1 8.004 0.003 . 1 . . . . 100 LEU H . 19042 1 1017 . 1 1 100 100 LEU HA H 1 3.717 0.008 . 1 . . . . 100 LEU HA . 19042 1 1018 . 1 1 100 100 LEU HB2 H 1 1.380 0.015 . 2 . . . . 100 LEU HB2 . 19042 1 1019 . 1 1 100 100 LEU HB3 H 1 1.382 0.012 . 2 . . . . 100 LEU HB3 . 19042 1 1020 . 1 1 100 100 LEU HG H 1 0.464 0.020 . 1 . . . . 100 LEU HG . 19042 1 1021 . 1 1 100 100 LEU HD11 H 1 0.299 0.016 . 2 . . . . 100 LEU HD11 . 19042 1 1022 . 1 1 100 100 LEU HD12 H 1 0.299 0.016 . 2 . . . . 100 LEU HD12 . 19042 1 1023 . 1 1 100 100 LEU HD13 H 1 0.299 0.016 . 2 . . . . 100 LEU HD13 . 19042 1 1024 . 1 1 100 100 LEU HD21 H 1 1.389 0.009 . 2 . . . . 100 LEU HD21 . 19042 1 1025 . 1 1 100 100 LEU HD22 H 1 1.389 0.009 . 2 . . . . 100 LEU HD22 . 19042 1 1026 . 1 1 100 100 LEU HD23 H 1 1.389 0.009 . 2 . . . . 100 LEU HD23 . 19042 1 1027 . 1 1 100 100 LEU C C 13 179.119 0.000 . 1 . . . . 100 LEU C . 19042 1 1028 . 1 1 100 100 LEU CA C 13 59.137 0.137 . 1 . . . . 100 LEU CA . 19042 1 1029 . 1 1 100 100 LEU CB C 13 40.841 0.138 . 1 . . . . 100 LEU CB . 19042 1 1030 . 1 1 100 100 LEU N N 15 117.567 0.022 . 1 . . . . 100 LEU N . 19042 1 1031 . 1 1 101 101 ALA H H 1 6.938 0.007 . 1 . . . . 101 ALA H . 19042 1 1032 . 1 1 101 101 ALA HA H 1 4.410 0.011 . 1 . . . . 101 ALA HA . 19042 1 1033 . 1 1 101 101 ALA HB1 H 1 1.472 0.016 . 1 . . . . 101 ALA HB1 . 19042 1 1034 . 1 1 101 101 ALA HB2 H 1 1.472 0.016 . 1 . . . . 101 ALA HB2 . 19042 1 1035 . 1 1 101 101 ALA HB3 H 1 1.472 0.016 . 1 . . . . 101 ALA HB3 . 19042 1 1036 . 1 1 101 101 ALA C C 13 180.428 0.000 . 1 . . . . 101 ALA C . 19042 1 1037 . 1 1 101 101 ALA CA C 13 54.693 0.083 . 1 . . . . 101 ALA CA . 19042 1 1038 . 1 1 101 101 ALA CB C 13 18.074 0.059 . 1 . . . . 101 ALA CB . 19042 1 1039 . 1 1 101 101 ALA N N 15 118.195 0.027 . 1 . . . . 101 ALA N . 19042 1 1040 . 1 1 102 102 ALA H H 1 7.471 0.004 . 1 . . . . 102 ALA H . 19042 1 1041 . 1 1 102 102 ALA HA H 1 4.265 0.012 . 1 . . . . 102 ALA HA . 19042 1 1042 . 1 1 102 102 ALA HB1 H 1 1.457 0.009 . 1 . . . . 102 ALA HB1 . 19042 1 1043 . 1 1 102 102 ALA HB2 H 1 1.457 0.009 . 1 . . . . 102 ALA HB2 . 19042 1 1044 . 1 1 102 102 ALA HB3 H 1 1.457 0.009 . 1 . . . . 102 ALA HB3 . 19042 1 1045 . 1 1 102 102 ALA C C 13 181.816 0.000 . 1 . . . . 102 ALA C . 19042 1 1046 . 1 1 102 102 ALA CA C 13 54.816 0.042 . 1 . . . . 102 ALA CA . 19042 1 1047 . 1 1 102 102 ALA CB C 13 17.711 0.046 . 1 . . . . 102 ALA CB . 19042 1 1048 . 1 1 102 102 ALA N N 15 122.065 0.035 . 1 . . . . 102 ALA N . 19042 1 1049 . 1 1 103 103 TRP H H 1 8.653 0.004 . 1 . . . . 103 TRP H . 19042 1 1050 . 1 1 103 103 TRP HA H 1 4.657 0.014 . 1 . . . . 103 TRP HA . 19042 1 1051 . 1 1 103 103 TRP HB2 H 1 2.974 0.020 . 2 . . . . 103 TRP HB2 . 19042 1 1052 . 1 1 103 103 TRP HB3 H 1 3.694 0.015 . 2 . . . . 103 TRP HB3 . 19042 1 1053 . 1 1 103 103 TRP HD1 H 1 7.075 0.009 . 1 . . . . 103 TRP HD1 . 19042 1 1054 . 1 1 103 103 TRP HE1 H 1 9.965 0.002 . 1 . . . . 103 TRP HE1 . 19042 1 1055 . 1 1 103 103 TRP HE3 H 1 7.340 0.011 . 1 . . . . 103 TRP HE3 . 19042 1 1056 . 1 1 103 103 TRP HZ2 H 1 7.411 0.019 . 1 . . . . 103 TRP HZ2 . 19042 1 1057 . 1 1 103 103 TRP HZ3 H 1 6.684 0.014 . 1 . . . . 103 TRP HZ3 . 19042 1 1058 . 1 1 103 103 TRP HH2 H 1 6.991 0.011 . 1 . . . . 103 TRP HH2 . 19042 1 1059 . 1 1 103 103 TRP C C 13 178.834 0.000 . 1 . . . . 103 TRP C . 19042 1 1060 . 1 1 103 103 TRP CA C 13 58.993 0.124 . 1 . . . . 103 TRP CA . 19042 1 1061 . 1 1 103 103 TRP CB C 13 28.316 0.091 . 1 . . . . 103 TRP CB . 19042 1 1062 . 1 1 103 103 TRP N N 15 122.999 0.011 . 1 . . . . 103 TRP N . 19042 1 1063 . 1 1 104 104 GLU H H 1 8.391 0.004 . 1 . . . . 104 GLU H . 19042 1 1064 . 1 1 104 104 GLU HA H 1 4.217 0.015 . 1 . . . . 104 GLU HA . 19042 1 1065 . 1 1 104 104 GLU HB2 H 1 2.255 0.020 . 2 . . . . 104 GLU HB2 . 19042 1 1066 . 1 1 104 104 GLU HB3 H 1 2.551 0.009 . 2 . . . . 104 GLU HB3 . 19042 1 1067 . 1 1 104 104 GLU HG2 H 1 2.134 0.013 . 2 . . . . 104 GLU HG2 . 19042 1 1068 . 1 1 104 104 GLU HG3 H 1 3.122 0.012 . 2 . . . . 104 GLU HG3 . 19042 1 1069 . 1 1 104 104 GLU C C 13 179.324 0.000 . 1 . . . . 104 GLU C . 19042 1 1070 . 1 1 104 104 GLU CA C 13 60.143 0.052 . 1 . . . . 104 GLU CA . 19042 1 1071 . 1 1 104 104 GLU CB C 13 30.779 0.090 . 1 . . . . 104 GLU CB . 19042 1 1072 . 1 1 104 104 GLU N N 15 118.884 0.033 . 1 . . . . 104 GLU N . 19042 1 1073 . 1 1 105 105 ASN H H 1 7.526 0.006 . 1 . . . . 105 ASN H . 19042 1 1074 . 1 1 105 105 ASN HA H 1 4.658 0.004 . 1 . . . . 105 ASN HA . 19042 1 1075 . 1 1 105 105 ASN HB2 H 1 2.928 0.009 . 2 . . . . 105 ASN HB2 . 19042 1 1076 . 1 1 105 105 ASN HB3 H 1 2.926 0.005 . 2 . . . . 105 ASN HB3 . 19042 1 1077 . 1 1 105 105 ASN HD21 H 1 7.046 0.003 . 1 . . . . 105 ASN HD21 . 19042 1 1078 . 1 1 105 105 ASN HD22 H 1 7.734 0.014 . 1 . . . . 105 ASN HD22 . 19042 1 1079 . 1 1 105 105 ASN C C 13 177.128 0.000 . 1 . . . . 105 ASN C . 19042 1 1080 . 1 1 105 105 ASN CA C 13 55.550 0.075 . 1 . . . . 105 ASN CA . 19042 1 1081 . 1 1 105 105 ASN CB C 13 39.477 0.057 . 1 . . . . 105 ASN CB . 19042 1 1082 . 1 1 105 105 ASN N N 15 115.032 0.041 . 1 . . . . 105 ASN N . 19042 1 1083 . 1 1 106 106 ALA H H 1 8.239 0.005 . 1 . . . . 106 ALA H . 19042 1 1084 . 1 1 106 106 ALA HA H 1 4.441 0.009 . 1 . . . . 106 ALA HA . 19042 1 1085 . 1 1 106 106 ALA HB1 H 1 1.639 0.008 . 1 . . . . 106 ALA HB1 . 19042 1 1086 . 1 1 106 106 ALA HB2 H 1 1.639 0.008 . 1 . . . . 106 ALA HB2 . 19042 1 1087 . 1 1 106 106 ALA HB3 H 1 1.639 0.008 . 1 . . . . 106 ALA HB3 . 19042 1 1088 . 1 1 106 106 ALA C C 13 179.799 0.000 . 1 . . . . 106 ALA C . 19042 1 1089 . 1 1 106 106 ALA CA C 13 54.178 0.055 . 1 . . . . 106 ALA CA . 19042 1 1090 . 1 1 106 106 ALA CB C 13 20.661 0.126 . 1 . . . . 106 ALA CB . 19042 1 1091 . 1 1 106 106 ALA N N 15 120.330 0.028 . 1 . . . . 106 ALA N . 19042 1 1092 . 1 1 107 107 ARG H H 1 8.132 0.005 . 1 . . . . 107 ARG H . 19042 1 1093 . 1 1 107 107 ARG HA H 1 4.734 0.009 . 1 . . . . 107 ARG HA . 19042 1 1094 . 1 1 107 107 ARG HB2 H 1 1.777 0.021 . 2 . . . . 107 ARG HB2 . 19042 1 1095 . 1 1 107 107 ARG HB3 H 1 2.050 0.006 . 2 . . . . 107 ARG HB3 . 19042 1 1096 . 1 1 107 107 ARG HG2 H 1 1.551 0.029 . 2 . . . . 107 ARG HG2 . 19042 1 1097 . 1 1 107 107 ARG HG3 H 1 1.554 0.030 . 2 . . . . 107 ARG HG3 . 19042 1 1098 . 1 1 107 107 ARG HD2 H 1 3.319 0.005 . 2 . . . . 107 ARG HD2 . 19042 1 1099 . 1 1 107 107 ARG HD3 H 1 3.149 0.007 . 2 . . . . 107 ARG HD3 . 19042 1 1100 . 1 1 107 107 ARG C C 13 176.465 0.000 . 1 . . . . 107 ARG C . 19042 1 1101 . 1 1 107 107 ARG CA C 13 52.743 0.102 . 1 . . . . 107 ARG CA . 19042 1 1102 . 1 1 107 107 ARG CB C 13 30.571 0.100 . 1 . . . . 107 ARG CB . 19042 1 1103 . 1 1 107 107 ARG N N 15 112.943 0.051 . 1 . . . . 107 ARG N . 19042 1 1104 . 1 1 108 108 GLY H H 1 7.926 0.004 . 1 . . . . 108 GLY H . 19042 1 1105 . 1 1 108 108 GLY HA2 H 1 3.652 0.006 . 2 . . . . 108 GLY HA2 . 19042 1 1106 . 1 1 108 108 GLY HA3 H 1 3.838 0.008 . 2 . . . . 108 GLY HA3 . 19042 1 1107 . 1 1 108 108 GLY C C 13 172.518 0.000 . 1 . . . . 108 GLY C . 19042 1 1108 . 1 1 108 108 GLY CA C 13 47.600 0.036 . 1 . . . . 108 GLY CA . 19042 1 1109 . 1 1 108 108 GLY N N 15 110.612 0.029 . 1 . . . . 108 GLY N . 19042 1 1110 . 1 1 109 109 VAL H H 1 7.381 0.004 . 1 . . . . 109 VAL H . 19042 1 1111 . 1 1 109 109 VAL HA H 1 4.148 0.039 . 1 . . . . 109 VAL HA . 19042 1 1112 . 1 1 109 109 VAL HB H 1 1.431 0.013 . 1 . . . . 109 VAL HB . 19042 1 1113 . 1 1 109 109 VAL HG11 H 1 0.218 0.013 . 2 . . . . 109 VAL HG11 . 19042 1 1114 . 1 1 109 109 VAL HG12 H 1 0.218 0.013 . 2 . . . . 109 VAL HG12 . 19042 1 1115 . 1 1 109 109 VAL HG13 H 1 0.218 0.013 . 2 . . . . 109 VAL HG13 . 19042 1 1116 . 1 1 109 109 VAL HG21 H 1 0.566 0.010 . 2 . . . . 109 VAL HG21 . 19042 1 1117 . 1 1 109 109 VAL HG22 H 1 0.566 0.010 . 2 . . . . 109 VAL HG22 . 19042 1 1118 . 1 1 109 109 VAL HG23 H 1 0.566 0.010 . 2 . . . . 109 VAL HG23 . 19042 1 1119 . 1 1 109 109 VAL C C 13 173.765 0.000 . 1 . . . . 109 VAL C . 19042 1 1120 . 1 1 109 109 VAL CA C 13 60.069 0.086 . 1 . . . . 109 VAL CA . 19042 1 1121 . 1 1 109 109 VAL CB C 13 35.202 0.156 . 1 . . . . 109 VAL CB . 19042 1 1122 . 1 1 109 109 VAL N N 15 117.800 0.016 . 1 . . . . 109 VAL N . 19042 1 1123 . 1 1 110 110 ASP H H 1 9.013 0.003 . 1 . . . . 110 ASP H . 19042 1 1124 . 1 1 110 110 ASP HA H 1 5.110 0.025 . 1 . . . . 110 ASP HA . 19042 1 1125 . 1 1 110 110 ASP HB2 H 1 2.455 0.005 . 2 . . . . 110 ASP HB2 . 19042 1 1126 . 1 1 110 110 ASP HB3 H 1 2.891 0.014 . 2 . . . . 110 ASP HB3 . 19042 1 1127 . 1 1 110 110 ASP C C 13 176.395 0.000 . 1 . . . . 110 ASP C . 19042 1 1128 . 1 1 110 110 ASP CA C 13 52.696 0.114 . 1 . . . . 110 ASP CA . 19042 1 1129 . 1 1 110 110 ASP CB C 13 42.559 0.104 . 1 . . . . 110 ASP CB . 19042 1 1130 . 1 1 110 110 ASP N N 15 125.188 0.046 . 1 . . . . 110 ASP N . 19042 1 1131 . 1 1 111 111 PHE H H 1 10.221 0.002 . 1 . . . . 111 PHE H . 19042 1 1132 . 1 1 111 111 PHE HA H 1 4.159 0.012 . 1 . . . . 111 PHE HA . 19042 1 1133 . 1 1 111 111 PHE HB2 H 1 3.015 0.016 . 2 . . . . 111 PHE HB2 . 19042 1 1134 . 1 1 111 111 PHE HB3 H 1 3.138 0.018 . 2 . . . . 111 PHE HB3 . 19042 1 1135 . 1 1 111 111 PHE HD1 H 1 7.368 0.012 . 3 . . . . 111 PHE HD1 . 19042 1 1136 . 1 1 111 111 PHE HD2 H 1 7.368 0.012 . 3 . . . . 111 PHE HD2 . 19042 1 1137 . 1 1 111 111 PHE HE1 H 1 7.415 0.017 . 3 . . . . 111 PHE HE1 . 19042 1 1138 . 1 1 111 111 PHE HE2 H 1 7.415 0.017 . 3 . . . . 111 PHE HE2 . 19042 1 1139 . 1 1 111 111 PHE HZ H 1 7.179 0.007 . 1 . . . . 111 PHE HZ . 19042 1 1140 . 1 1 111 111 PHE C C 13 177.497 0.000 . 1 . . . . 111 PHE C . 19042 1 1141 . 1 1 111 111 PHE CA C 13 62.868 0.116 . 1 . . . . 111 PHE CA . 19042 1 1142 . 1 1 111 111 PHE CB C 13 38.068 0.045 . 1 . . . . 111 PHE CB . 19042 1 1143 . 1 1 111 111 PHE N N 15 126.450 0.039 . 1 . . . . 111 PHE N . 19042 1 1144 . 1 1 112 112 GLY H H 1 9.025 0.004 . 1 . . . . 112 GLY H . 19042 1 1145 . 1 1 112 112 GLY HA2 H 1 3.995 0.007 . 2 . . . . 112 GLY HA2 . 19042 1 1146 . 1 1 112 112 GLY HA3 H 1 4.001 0.013 . 2 . . . . 112 GLY HA3 . 19042 1 1147 . 1 1 112 112 GLY C C 13 175.362 0.000 . 1 . . . . 112 GLY C . 19042 1 1148 . 1 1 112 112 GLY CA C 13 47.296 0.093 . 1 . . . . 112 GLY CA . 19042 1 1149 . 1 1 112 112 GLY N N 15 109.356 0.030 . 1 . . . . 112 GLY N . 19042 1 1150 . 1 1 113 113 SER H H 1 7.706 0.013 . 1 . . . . 113 SER H . 19042 1 1151 . 1 1 113 113 SER HA H 1 4.373 0.003 . 1 . . . . 113 SER HA . 19042 1 1152 . 1 1 113 113 SER HB2 H 1 3.728 0.013 . 2 . . . . 113 SER HB2 . 19042 1 1153 . 1 1 113 113 SER HB3 H 1 4.002 0.006 . 2 . . . . 113 SER HB3 . 19042 1 1154 . 1 1 113 113 SER C C 13 174.307 0.000 . 1 . . . . 113 SER C . 19042 1 1155 . 1 1 113 113 SER CA C 13 58.547 0.112 . 1 . . . . 113 SER CA . 19042 1 1156 . 1 1 113 113 SER CB C 13 64.079 0.045 . 1 . . . . 113 SER CB . 19042 1 1157 . 1 1 113 113 SER N N 15 114.364 0.018 . 1 . . . . 113 SER N . 19042 1 1158 . 1 1 114 114 ARG H H 1 8.029 0.003 . 1 . . . . 114 ARG H . 19042 1 1159 . 1 1 114 114 ARG HA H 1 3.683 0.012 . 1 . . . . 114 ARG HA . 19042 1 1160 . 1 1 114 114 ARG HB2 H 1 1.619 0.017 . 2 . . . . 114 ARG HB2 . 19042 1 1161 . 1 1 114 114 ARG HB3 H 1 1.766 0.014 . 2 . . . . 114 ARG HB3 . 19042 1 1162 . 1 1 114 114 ARG HG2 H 1 1.778 0.016 . 2 . . . . 114 ARG HG2 . 19042 1 1163 . 1 1 114 114 ARG HG3 H 1 1.628 0.008 . 2 . . . . 114 ARG HG3 . 19042 1 1164 . 1 1 114 114 ARG HD2 H 1 3.484 0.008 . 2 . . . . 114 ARG HD2 . 19042 1 1165 . 1 1 114 114 ARG HD3 H 1 3.484 0.008 . 2 . . . . 114 ARG HD3 . 19042 1 1166 . 1 1 114 114 ARG C C 13 175.790 0.000 . 1 . . . . 114 ARG C . 19042 1 1167 . 1 1 114 114 ARG CA C 13 57.998 0.106 . 1 . . . . 114 ARG CA . 19042 1 1168 . 1 1 114 114 ARG CB C 13 25.853 0.001 . 1 . . . . 114 ARG CB . 19042 1 1169 . 1 1 114 114 ARG N N 15 119.396 0.033 . 1 . . . . 114 ARG N . 19042 1 1170 . 1 1 115 115 THR H H 1 8.221 0.004 . 1 . . . . 115 THR H . 19042 1 1171 . 1 1 115 115 THR HA H 1 5.456 0.008 . 1 . . . . 115 THR HA . 19042 1 1172 . 1 1 115 115 THR HB H 1 4.083 0.007 . 1 . . . . 115 THR HB . 19042 1 1173 . 1 1 115 115 THR HG1 H 1 4.716 0.010 . 1 . . . . 115 THR HG1 . 19042 1 1174 . 1 1 115 115 THR HG21 H 1 1.039 0.012 . 1 . . . . 115 THR HG21 . 19042 1 1175 . 1 1 115 115 THR HG22 H 1 1.039 0.012 . 1 . . . . 115 THR HG22 . 19042 1 1176 . 1 1 115 115 THR HG23 H 1 1.039 0.012 . 1 . . . . 115 THR HG23 . 19042 1 1177 . 1 1 115 115 THR C C 13 172.133 0.000 . 1 . . . . 115 THR C . 19042 1 1178 . 1 1 115 115 THR CA C 13 59.537 0.080 . 1 . . . . 115 THR CA . 19042 1 1179 . 1 1 115 115 THR CB C 13 74.012 0.190 . 1 . . . . 115 THR CB . 19042 1 1180 . 1 1 115 115 THR N N 15 110.246 0.055 . 1 . . . . 115 THR N . 19042 1 1181 . 1 1 116 116 GLN H H 1 9.351 0.004 . 1 . . . . 116 GLN H . 19042 1 1182 . 1 1 116 116 GLN HA H 1 4.873 0.039 . 1 . . . . 116 GLN HA . 19042 1 1183 . 1 1 116 116 GLN HB2 H 1 2.744 0.016 . 2 . . . . 116 GLN HB2 . 19042 1 1184 . 1 1 116 116 GLN HB3 H 1 2.212 0.024 . 2 . . . . 116 GLN HB3 . 19042 1 1185 . 1 1 116 116 GLN HG2 H 1 1.737 0.014 . 2 . . . . 116 GLN HG2 . 19042 1 1186 . 1 1 116 116 GLN HG3 H 1 1.737 0.016 . 2 . . . . 116 GLN HG3 . 19042 1 1187 . 1 1 116 116 GLN HE21 H 1 7.505 0.013 . 1 . . . . 116 GLN HE21 . 19042 1 1188 . 1 1 116 116 GLN HE22 H 1 6.913 0.011 . 1 . . . . 116 GLN HE22 . 19042 1 1189 . 1 1 116 116 GLN C C 13 174.956 0.000 . 1 . . . . 116 GLN C . 19042 1 1190 . 1 1 116 116 GLN CA C 13 54.354 0.069 . 1 . . . . 116 GLN CA . 19042 1 1191 . 1 1 116 116 GLN CB C 13 31.206 0.150 . 1 . . . . 116 GLN CB . 19042 1 1192 . 1 1 116 116 GLN N N 15 114.987 0.035 . 1 . . . . 116 GLN N . 19042 1 1193 . 1 1 117 117 ALA H H 1 8.066 0.008 . 1 . . . . 117 ALA H . 19042 1 1194 . 1 1 117 117 ALA HA H 1 4.231 0.014 . 1 . . . . 117 ALA HA . 19042 1 1195 . 1 1 117 117 ALA HB1 H 1 1.304 0.013 . 1 . . . . 117 ALA HB1 . 19042 1 1196 . 1 1 117 117 ALA HB2 H 1 1.304 0.013 . 1 . . . . 117 ALA HB2 . 19042 1 1197 . 1 1 117 117 ALA HB3 H 1 1.304 0.013 . 1 . . . . 117 ALA HB3 . 19042 1 1198 . 1 1 117 117 ALA C C 13 177.492 0.000 . 1 . . . . 117 ALA C . 19042 1 1199 . 1 1 117 117 ALA CA C 13 54.515 0.106 . 1 . . . . 117 ALA CA . 19042 1 1200 . 1 1 117 117 ALA CB C 13 19.230 0.050 . 1 . . . . 117 ALA CB . 19042 1 1201 . 1 1 117 117 ALA N N 15 122.241 0.044 . 1 . . . . 117 ALA N . 19042 1 1202 . 1 1 118 118 ASP H H 1 7.357 0.007 . 1 . . . . 118 ASP H . 19042 1 1203 . 1 1 118 118 ASP HA H 1 4.794 0.011 . 1 . . . . 118 ASP HA . 19042 1 1204 . 1 1 118 118 ASP HB2 H 1 2.583 0.006 . 2 . . . . 118 ASP HB2 . 19042 1 1205 . 1 1 118 118 ASP HB3 H 1 2.097 0.014 . 2 . . . . 118 ASP HB3 . 19042 1 1206 . 1 1 118 118 ASP C C 13 175.171 0.000 . 1 . . . . 118 ASP C . 19042 1 1207 . 1 1 118 118 ASP CA C 13 51.988 0.036 . 1 . . . . 118 ASP CA . 19042 1 1208 . 1 1 118 118 ASP CB C 13 44.478 0.046 . 1 . . . . 118 ASP CB . 19042 1 1209 . 1 1 118 118 ASP N N 15 116.223 0.153 . 1 . . . . 118 ASP N . 19042 1 1210 . 1 1 119 119 ALA H H 1 8.349 0.003 . 1 . . . . 119 ALA H . 19042 1 1211 . 1 1 119 119 ALA HA H 1 3.349 0.008 . 1 . . . . 119 ALA HA . 19042 1 1212 . 1 1 119 119 ALA HB1 H 1 1.122 0.006 . 1 . . . . 119 ALA HB1 . 19042 1 1213 . 1 1 119 119 ALA HB2 H 1 1.122 0.006 . 1 . . . . 119 ALA HB2 . 19042 1 1214 . 1 1 119 119 ALA HB3 H 1 1.122 0.006 . 1 . . . . 119 ALA HB3 . 19042 1 1215 . 1 1 119 119 ALA C C 13 177.668 0.000 . 1 . . . . 119 ALA C . 19042 1 1216 . 1 1 119 119 ALA CA C 13 55.218 0.097 . 1 . . . . 119 ALA CA . 19042 1 1217 . 1 1 119 119 ALA CB C 13 18.048 0.107 . 1 . . . . 119 ALA CB . 19042 1 1218 . 1 1 119 119 ALA N N 15 122.313 0.031 . 1 . . . . 119 ALA N . 19042 1 1219 . 1 1 120 120 LEU H H 1 7.573 0.003 . 1 . . . . 120 LEU H . 19042 1 1220 . 1 1 120 120 LEU HA H 1 4.566 0.016 . 1 . . . . 120 LEU HA . 19042 1 1221 . 1 1 120 120 LEU HB2 H 1 1.309 0.009 . 2 . . . . 120 LEU HB2 . 19042 1 1222 . 1 1 120 120 LEU HB3 H 1 1.469 0.011 . 2 . . . . 120 LEU HB3 . 19042 1 1223 . 1 1 120 120 LEU HG H 1 1.164 0.012 . 1 . . . . 120 LEU HG . 19042 1 1224 . 1 1 120 120 LEU HD11 H 1 0.700 0.029 . 2 . . . . 120 LEU HD11 . 19042 1 1225 . 1 1 120 120 LEU HD12 H 1 0.700 0.029 . 2 . . . . 120 LEU HD12 . 19042 1 1226 . 1 1 120 120 LEU HD13 H 1 0.700 0.029 . 2 . . . . 120 LEU HD13 . 19042 1 1227 . 1 1 120 120 LEU HD21 H 1 0.749 0.010 . 2 . . . . 120 LEU HD21 . 19042 1 1228 . 1 1 120 120 LEU HD22 H 1 0.749 0.010 . 2 . . . . 120 LEU HD22 . 19042 1 1229 . 1 1 120 120 LEU HD23 H 1 0.749 0.010 . 2 . . . . 120 LEU HD23 . 19042 1 1230 . 1 1 120 120 LEU C C 13 174.582 0.000 . 1 . . . . 120 LEU C . 19042 1 1231 . 1 1 120 120 LEU CA C 13 54.428 0.100 . 1 . . . . 120 LEU CA . 19042 1 1232 . 1 1 120 120 LEU CB C 13 44.644 0.053 . 1 . . . . 120 LEU CB . 19042 1 1233 . 1 1 120 120 LEU N N 15 118.004 0.021 . 1 . . . . 120 LEU N . 19042 1 1234 . 1 1 121 121 VAL H H 1 7.920 0.003 . 1 . . . . 121 VAL H . 19042 1 1235 . 1 1 121 121 VAL HA H 1 4.024 0.007 . 1 . . . . 121 VAL HA . 19042 1 1236 . 1 1 121 121 VAL HB H 1 1.771 0.013 . 1 . . . . 121 VAL HB . 19042 1 1237 . 1 1 121 121 VAL HG11 H 1 0.606 0.012 . 2 . . . . 121 VAL HG11 . 19042 1 1238 . 1 1 121 121 VAL HG12 H 1 0.606 0.012 . 2 . . . . 121 VAL HG12 . 19042 1 1239 . 1 1 121 121 VAL HG13 H 1 0.606 0.012 . 2 . . . . 121 VAL HG13 . 19042 1 1240 . 1 1 121 121 VAL HG21 H 1 0.770 0.023 . 2 . . . . 121 VAL HG21 . 19042 1 1241 . 1 1 121 121 VAL HG22 H 1 0.770 0.023 . 2 . . . . 121 VAL HG22 . 19042 1 1242 . 1 1 121 121 VAL HG23 H 1 0.770 0.023 . 2 . . . . 121 VAL HG23 . 19042 1 1243 . 1 1 121 121 VAL C C 13 172.837 0.000 . 1 . . . . 121 VAL C . 19042 1 1244 . 1 1 121 121 VAL CA C 13 61.755 0.049 . 1 . . . . 121 VAL CA . 19042 1 1245 . 1 1 121 121 VAL CB C 13 33.751 0.077 . 1 . . . . 121 VAL CB . 19042 1 1246 . 1 1 121 121 VAL N N 15 127.128 0.036 . 1 . . . . 121 VAL N . 19042 1 1247 . 1 1 122 122 LEU H H 1 8.533 0.016 . 1 . . . . 122 LEU H . 19042 1 1248 . 1 1 122 122 LEU HA H 1 4.893 0.010 . 1 . . . . 122 LEU HA . 19042 1 1249 . 1 1 122 122 LEU HB2 H 1 1.350 0.015 . 2 . . . . 122 LEU HB2 . 19042 1 1250 . 1 1 122 122 LEU HB3 H 1 1.530 0.009 . 2 . . . . 122 LEU HB3 . 19042 1 1251 . 1 1 122 122 LEU HG H 1 1.322 0.017 . 1 . . . . 122 LEU HG . 19042 1 1252 . 1 1 122 122 LEU HD11 H 1 0.751 0.004 . 2 . . . . 122 LEU HD11 . 19042 1 1253 . 1 1 122 122 LEU HD12 H 1 0.751 0.004 . 2 . . . . 122 LEU HD12 . 19042 1 1254 . 1 1 122 122 LEU HD13 H 1 0.751 0.004 . 2 . . . . 122 LEU HD13 . 19042 1 1255 . 1 1 122 122 LEU HD21 H 1 0.751 0.004 . 2 . . . . 122 LEU HD21 . 19042 1 1256 . 1 1 122 122 LEU HD22 H 1 0.751 0.004 . 2 . . . . 122 LEU HD22 . 19042 1 1257 . 1 1 122 122 LEU HD23 H 1 0.751 0.004 . 2 . . . . 122 LEU HD23 . 19042 1 1258 . 1 1 122 122 LEU C C 13 175.835 0.000 . 1 . . . . 122 LEU C . 19042 1 1259 . 1 1 122 122 LEU CA C 13 53.367 0.036 . 1 . . . . 122 LEU CA . 19042 1 1260 . 1 1 122 122 LEU CB C 13 42.584 0.093 . 1 . . . . 122 LEU CB . 19042 1 1261 . 1 1 122 122 LEU N N 15 130.057 0.028 . 1 . . . . 122 LEU N . 19042 1 1262 . 1 1 123 123 LEU H H 1 8.863 0.007 . 1 . . . . 123 LEU H . 19042 1 1263 . 1 1 123 123 LEU HA H 1 4.306 0.005 . 1 . . . . 123 LEU HA . 19042 1 1264 . 1 1 123 123 LEU HB2 H 1 0.889 0.026 . 2 . . . . 123 LEU HB2 . 19042 1 1265 . 1 1 123 123 LEU HB3 H 1 1.304 0.013 . 2 . . . . 123 LEU HB3 . 19042 1 1266 . 1 1 123 123 LEU HG H 1 0.990 0.019 . 1 . . . . 123 LEU HG . 19042 1 1267 . 1 1 123 123 LEU HD21 H 1 0.233 0.006 . 2 . . . . 123 LEU HD21 . 19042 1 1268 . 1 1 123 123 LEU HD22 H 1 0.233 0.006 . 2 . . . . 123 LEU HD22 . 19042 1 1269 . 1 1 123 123 LEU HD23 H 1 0.233 0.006 . 2 . . . . 123 LEU HD23 . 19042 1 1270 . 1 1 123 123 LEU C C 13 173.026 0.000 . 1 . . . . 123 LEU C . 19042 1 1271 . 1 1 123 123 LEU CA C 13 53.420 0.070 . 1 . . . . 123 LEU CA . 19042 1 1272 . 1 1 123 123 LEU CB C 13 41.486 0.158 . 1 . . . . 123 LEU CB . 19042 1 1273 . 1 1 123 123 LEU N N 15 132.052 0.059 . 1 . . . . 123 LEU N . 19042 1 1274 . 1 1 124 124 GLY H H 1 7.551 0.005 . 1 . . . . 124 GLY H . 19042 1 1275 . 1 1 124 124 GLY HA2 H 1 3.225 0.006 . 2 . . . . 124 GLY HA2 . 19042 1 1276 . 1 1 124 124 GLY HA3 H 1 4.908 0.018 . 2 . . . . 124 GLY HA3 . 19042 1 1277 . 1 1 124 124 GLY C C 13 175.545 0.000 . 1 . . . . 124 GLY C . 19042 1 1278 . 1 1 124 124 GLY CA C 13 43.196 0.036 . 1 . . . . 124 GLY CA . 19042 1 1279 . 1 1 124 124 GLY N N 15 107.189 0.032 . 1 . . . . 124 GLY N . 19042 1 1280 . 1 1 125 125 GLY H H 1 7.520 0.010 . 1 . . . . 125 GLY H . 19042 1 1281 . 1 1 125 125 GLY HA2 H 1 3.536 0.011 . 2 . . . . 125 GLY HA2 . 19042 1 1282 . 1 1 125 125 GLY HA3 H 1 3.702 0.011 . 2 . . . . 125 GLY HA3 . 19042 1 1283 . 1 1 125 125 GLY C C 13 175.142 0.000 . 1 . . . . 125 GLY C . 19042 1 1284 . 1 1 125 125 GLY CA C 13 46.476 0.113 . 1 . . . . 125 GLY CA . 19042 1 1285 . 1 1 125 125 GLY N N 15 107.533 0.040 . 1 . . . . 125 GLY N . 19042 1 1286 . 1 1 126 126 LEU H H 1 8.227 0.006 . 1 . . . . 126 LEU H . 19042 1 1287 . 1 1 126 126 LEU HA H 1 3.991 0.007 . 1 . . . . 126 LEU HA . 19042 1 1288 . 1 1 126 126 LEU HB2 H 1 1.192 0.036 . 2 . . . . 126 LEU HB2 . 19042 1 1289 . 1 1 126 126 LEU HB3 H 1 0.430 0.014 . 2 . . . . 126 LEU HB3 . 19042 1 1290 . 1 1 126 126 LEU HD11 H 1 0.646 0.012 . 2 . . . . 126 LEU HD11 . 19042 1 1291 . 1 1 126 126 LEU HD12 H 1 0.646 0.012 . 2 . . . . 126 LEU HD12 . 19042 1 1292 . 1 1 126 126 LEU HD13 H 1 0.646 0.012 . 2 . . . . 126 LEU HD13 . 19042 1 1293 . 1 1 126 126 LEU HD21 H 1 0.643 0.012 . 2 . . . . 126 LEU HD21 . 19042 1 1294 . 1 1 126 126 LEU HD22 H 1 0.643 0.012 . 2 . . . . 126 LEU HD22 . 19042 1 1295 . 1 1 126 126 LEU HD23 H 1 0.643 0.012 . 2 . . . . 126 LEU HD23 . 19042 1 1296 . 1 1 126 126 LEU C C 13 175.319 0.000 . 1 . . . . 126 LEU C . 19042 1 1297 . 1 1 126 126 LEU CA C 13 55.231 0.064 . 1 . . . . 126 LEU CA . 19042 1 1298 . 1 1 126 126 LEU CB C 13 41.093 0.062 . 1 . . . . 126 LEU CB . 19042 1 1299 . 1 1 126 126 LEU N N 15 119.140 0.039 . 1 . . . . 126 LEU N . 19042 1 1300 . 1 1 127 127 ASP H H 1 7.353 0.006 . 1 . . . . 127 ASP H . 19042 1 1301 . 1 1 127 127 ASP HA H 1 4.627 0.010 . 1 . . . . 127 ASP HA . 19042 1 1302 . 1 1 127 127 ASP HB2 H 1 2.616 0.008 . 2 . . . . 127 ASP HB2 . 19042 1 1303 . 1 1 127 127 ASP HB3 H 1 3.091 0.005 . 2 . . . . 127 ASP HB3 . 19042 1 1304 . 1 1 127 127 ASP C C 13 175.019 0.000 . 1 . . . . 127 ASP C . 19042 1 1305 . 1 1 127 127 ASP CA C 13 51.098 0.052 . 1 . . . . 127 ASP CA . 19042 1 1306 . 1 1 127 127 ASP CB C 13 43.549 0.057 . 1 . . . . 127 ASP CB . 19042 1 1307 . 1 1 127 127 ASP N N 15 116.753 0.094 . 1 . . . . 127 ASP N . 19042 1 1308 . 1 1 128 128 PHE H H 1 8.255 0.005 . 1 . . . . 128 PHE H . 19042 1 1309 . 1 1 128 128 PHE HA H 1 4.484 0.008 . 1 . . . . 128 PHE HA . 19042 1 1310 . 1 1 128 128 PHE HB2 H 1 2.490 0.009 . 2 . . . . 128 PHE HB2 . 19042 1 1311 . 1 1 128 128 PHE HB3 H 1 3.057 0.014 . 2 . . . . 128 PHE HB3 . 19042 1 1312 . 1 1 128 128 PHE HD1 H 1 6.416 0.015 . 3 . . . . 128 PHE HD1 . 19042 1 1313 . 1 1 128 128 PHE HD2 H 1 6.416 0.015 . 3 . . . . 128 PHE HD2 . 19042 1 1314 . 1 1 128 128 PHE HE1 H 1 6.274 0.019 . 3 . . . . 128 PHE HE1 . 19042 1 1315 . 1 1 128 128 PHE HE2 H 1 6.274 0.019 . 3 . . . . 128 PHE HE2 . 19042 1 1316 . 1 1 128 128 PHE HZ H 1 6.006 0.021 . 1 . . . . 128 PHE HZ . 19042 1 1317 . 1 1 128 128 PHE C C 13 175.545 0.000 . 1 . . . . 128 PHE C . 19042 1 1318 . 1 1 128 128 PHE CA C 13 57.403 0.043 . 1 . . . . 128 PHE CA . 19042 1 1319 . 1 1 128 128 PHE CB C 13 37.935 0.041 . 1 . . . . 128 PHE CB . 19042 1 1320 . 1 1 128 128 PHE N N 15 115.435 0.035 . 1 . . . . 128 PHE N . 19042 1 1321 . 1 1 129 129 GLU H H 1 8.088 0.006 . 1 . . . . 129 GLU H . 19042 1 1322 . 1 1 129 129 GLU HA H 1 4.101 0.006 . 1 . . . . 129 GLU HA . 19042 1 1323 . 1 1 129 129 GLU HB2 H 1 2.388 0.008 . 2 . . . . 129 GLU HB2 . 19042 1 1324 . 1 1 129 129 GLU HB3 H 1 2.034 0.035 . 2 . . . . 129 GLU HB3 . 19042 1 1325 . 1 1 129 129 GLU HG2 H 1 2.141 0.051 . 2 . . . . 129 GLU HG2 . 19042 1 1326 . 1 1 129 129 GLU HG3 H 1 2.140 0.051 . 2 . . . . 129 GLU HG3 . 19042 1 1327 . 1 1 129 129 GLU C C 13 175.934 0.000 . 1 . . . . 129 GLU C . 19042 1 1328 . 1 1 129 129 GLU CA C 13 56.492 0.068 . 1 . . . . 129 GLU CA . 19042 1 1329 . 1 1 129 129 GLU CB C 13 30.021 0.049 . 1 . . . . 129 GLU CB . 19042 1 1330 . 1 1 129 129 GLU N N 15 120.462 0.037 . 1 . . . . 129 GLU N . 19042 1 1331 . 1 1 130 130 ALA H H 1 7.887 0.005 . 1 . . . . 130 ALA H . 19042 1 1332 . 1 1 130 130 ALA HA H 1 4.096 0.005 . 1 . . . . 130 ALA HA . 19042 1 1333 . 1 1 130 130 ALA HB1 H 1 1.331 0.015 . 1 . . . . 130 ALA HB1 . 19042 1 1334 . 1 1 130 130 ALA HB2 H 1 1.331 0.015 . 1 . . . . 130 ALA HB2 . 19042 1 1335 . 1 1 130 130 ALA HB3 H 1 1.331 0.015 . 1 . . . . 130 ALA HB3 . 19042 1 1336 . 1 1 130 130 ALA CA C 13 53.690 0.045 . 1 . . . . 130 ALA CA . 19042 1 1337 . 1 1 130 130 ALA CB C 13 20.319 0.039 . 1 . . . . 130 ALA CB . 19042 1 1338 . 1 1 130 130 ALA N N 15 131.114 0.040 . 1 . . . . 130 ALA N . 19042 1 stop_ save_