data_7187 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7187 _Entry.Title ; NMR asigment of Ct-ole e 9, C terminal domain from the olive allergen Ole e 9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-21 _Entry.Accession_date 2006-06-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Chemical shifts list of Ct-Ole e 9' _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 Ines Castrillo . . . 7187 2 Miguel Trevino . A. . 7187 3 Oscar Palomares . . . 7187 4 Mayte Villalba . . . 7187 5 Rosalia Rodriguez . . . 7187 6 Manuel Rico . . . 7187 7 Jorge Santoro . . . 7187 8 Marta Bruix . . . 7187 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'IQFR , CSIC' . 7187 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7187 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 7187 '15N chemical shifts' 102 7187 '1H chemical shifts' 618 7187 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-09 2006-06-21 update BMRB 'complete entry citation' 7187 1 . . 2006-10-02 2006-06-21 original author 'original release' 7187 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7187 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17031524 _Citation.Full_citation . _Citation.Title 'NMR assignment of the C-terminal domain of Ole e 9, a major allergen of olive tree pollen' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 67 _Citation.Page_last 67 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ines Castrillo . . . 7187 1 2 Miguel Trevino . A. . 7187 1 3 Oscar Palomares . . . 7187 1 4 Manuel Rico . . . 7187 1 5 Jorge Santoro . . . 7187 1 6 Marta Bruix . . . 7187 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 7187 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Location of epitopes on the 3D structure of the Ct doamin of ole e 9, a principal allergen of olive' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Miguel Trevino . A. . 7187 2 2 Ines Castrillo . . . 7187 2 3 Oscar Palomares . . . 7187 2 4 Mayte Villalba . . . 7187 2 5 Rosalia Rodriguez . . . 7187 2 6 Manuel Rico . . . 7187 2 7 Jorge Santoro . . . 7187 2 8 Marta Bruix . . . 7187 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7187 _Assembly.ID 1 _Assembly.Name 'Ct ole e 9 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Ct ole e 9' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7187 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ct ole e 9' 1 $Ct_ole_e_9 . . yes native no no . . . 7187 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 76 76 76 . . . . . . . . . . 7187 1 2 disulfide single . 1 . 1 CYS 33 33 SG . 1 . 1 CYS 39 39 39 . . . . . . . . . . 7187 1 3 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 94 94 94 . . . . . . . . . . 7187 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ct_ole_e_9 _Entity.Sf_category entity _Entity.Sf_framecode Ct_ole_e_9 _Entity.Entry_ID 7187 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name rCtD _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 ; ATPTPTPKAAGSWCVPKPGV SDDQLTGNINYACSQGIDCG PIQPGGACFEPNTVKAHAAY VMNLYYQHAGRNSWNCDFSQ TATLTNTNPSYGACNFPSGS N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'sequence from 1 to 101 in rCtD corresponds to 360 to 460 in the complete protein' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JON . "Solution Structure Of The C-Terminal Domain Ole E 9" . . . . . 100.00 101 100.00 100.00 4.91e-67 . . . . 7187 1 2 no GB AAK58515 . "beta-1,3-glucanase-like protein [Olea europaea]" . . . . . 100.00 460 98.02 98.02 4.17e-64 . . . . 7187 1 3 no SP Q94G86 . "RecName: Full=Glucan endo-1,3-beta-D-glucosidase; AltName: Full=Major pollen allergen Ole e 9; AltName: Allergen=Ole e 9; Flags" . . . . . 100.00 460 98.02 98.02 4.17e-64 . . . . 7187 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ct ole e 9' . 7187 1 rCtD . 7187 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 1 ALA . 7187 1 2 2 THR . 7187 1 3 3 PRO . 7187 1 4 4 THR . 7187 1 5 5 PRO . 7187 1 6 6 THR . 7187 1 7 7 PRO . 7187 1 8 8 LYS . 7187 1 9 9 ALA . 7187 1 10 10 ALA . 7187 1 11 11 GLY . 7187 1 12 12 SER . 7187 1 13 13 TRP . 7187 1 14 14 CYS . 7187 1 15 15 VAL . 7187 1 16 16 PRO . 7187 1 17 17 LYS . 7187 1 18 18 PRO . 7187 1 19 19 GLY . 7187 1 20 20 VAL . 7187 1 21 21 SER . 7187 1 22 22 ASP . 7187 1 23 23 ASP . 7187 1 24 24 GLN . 7187 1 25 25 LEU . 7187 1 26 26 THR . 7187 1 27 27 GLY . 7187 1 28 28 ASN . 7187 1 29 29 ILE . 7187 1 30 30 ASN . 7187 1 31 31 TYR . 7187 1 32 32 ALA . 7187 1 33 33 CYS . 7187 1 34 34 SER . 7187 1 35 35 GLN . 7187 1 36 36 GLY . 7187 1 37 37 ILE . 7187 1 38 38 ASP . 7187 1 39 39 CYS . 7187 1 40 40 GLY . 7187 1 41 41 PRO . 7187 1 42 42 ILE . 7187 1 43 43 GLN . 7187 1 44 44 PRO . 7187 1 45 45 GLY . 7187 1 46 46 GLY . 7187 1 47 47 ALA . 7187 1 48 48 CYS . 7187 1 49 49 PHE . 7187 1 50 50 GLU . 7187 1 51 51 PRO . 7187 1 52 52 ASN . 7187 1 53 53 THR . 7187 1 54 54 VAL . 7187 1 55 55 LYS . 7187 1 56 56 ALA . 7187 1 57 57 HIS . 7187 1 58 58 ALA . 7187 1 59 59 ALA . 7187 1 60 60 TYR . 7187 1 61 61 VAL . 7187 1 62 62 MET . 7187 1 63 63 ASN . 7187 1 64 64 LEU . 7187 1 65 65 TYR . 7187 1 66 66 TYR . 7187 1 67 67 GLN . 7187 1 68 68 HIS . 7187 1 69 69 ALA . 7187 1 70 70 GLY . 7187 1 71 71 ARG . 7187 1 72 72 ASN . 7187 1 73 73 SER . 7187 1 74 74 TRP . 7187 1 75 75 ASN . 7187 1 76 76 CYS . 7187 1 77 77 ASP . 7187 1 78 78 PHE . 7187 1 79 79 SER . 7187 1 80 80 GLN . 7187 1 81 81 THR . 7187 1 82 82 ALA . 7187 1 83 83 THR . 7187 1 84 84 LEU . 7187 1 85 85 THR . 7187 1 86 86 ASN . 7187 1 87 87 THR . 7187 1 88 88 ASN . 7187 1 89 89 PRO . 7187 1 90 90 SER . 7187 1 91 91 TYR . 7187 1 92 92 GLY . 7187 1 93 93 ALA . 7187 1 94 94 CYS . 7187 1 95 95 ASN . 7187 1 96 96 PHE . 7187 1 97 97 PRO . 7187 1 98 98 SER . 7187 1 99 99 GLY . 7187 1 100 100 SER . 7187 1 101 101 ASN . 7187 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 7187 1 . THR 2 2 7187 1 . PRO 3 3 7187 1 . THR 4 4 7187 1 . PRO 5 5 7187 1 . THR 6 6 7187 1 . PRO 7 7 7187 1 . LYS 8 8 7187 1 . ALA 9 9 7187 1 . ALA 10 10 7187 1 . GLY 11 11 7187 1 . SER 12 12 7187 1 . TRP 13 13 7187 1 . CYS 14 14 7187 1 . VAL 15 15 7187 1 . PRO 16 16 7187 1 . LYS 17 17 7187 1 . PRO 18 18 7187 1 . GLY 19 19 7187 1 . VAL 20 20 7187 1 . SER 21 21 7187 1 . ASP 22 22 7187 1 . ASP 23 23 7187 1 . GLN 24 24 7187 1 . LEU 25 25 7187 1 . THR 26 26 7187 1 . GLY 27 27 7187 1 . ASN 28 28 7187 1 . ILE 29 29 7187 1 . ASN 30 30 7187 1 . TYR 31 31 7187 1 . ALA 32 32 7187 1 . CYS 33 33 7187 1 . SER 34 34 7187 1 . GLN 35 35 7187 1 . GLY 36 36 7187 1 . ILE 37 37 7187 1 . ASP 38 38 7187 1 . CYS 39 39 7187 1 . GLY 40 40 7187 1 . PRO 41 41 7187 1 . ILE 42 42 7187 1 . GLN 43 43 7187 1 . PRO 44 44 7187 1 . GLY 45 45 7187 1 . GLY 46 46 7187 1 . ALA 47 47 7187 1 . CYS 48 48 7187 1 . PHE 49 49 7187 1 . GLU 50 50 7187 1 . PRO 51 51 7187 1 . ASN 52 52 7187 1 . THR 53 53 7187 1 . VAL 54 54 7187 1 . LYS 55 55 7187 1 . ALA 56 56 7187 1 . HIS 57 57 7187 1 . ALA 58 58 7187 1 . ALA 59 59 7187 1 . TYR 60 60 7187 1 . VAL 61 61 7187 1 . MET 62 62 7187 1 . ASN 63 63 7187 1 . LEU 64 64 7187 1 . TYR 65 65 7187 1 . TYR 66 66 7187 1 . GLN 67 67 7187 1 . HIS 68 68 7187 1 . ALA 69 69 7187 1 . GLY 70 70 7187 1 . ARG 71 71 7187 1 . ASN 72 72 7187 1 . SER 73 73 7187 1 . TRP 74 74 7187 1 . ASN 75 75 7187 1 . CYS 76 76 7187 1 . ASP 77 77 7187 1 . PHE 78 78 7187 1 . SER 79 79 7187 1 . GLN 80 80 7187 1 . THR 81 81 7187 1 . ALA 82 82 7187 1 . THR 83 83 7187 1 . LEU 84 84 7187 1 . THR 85 85 7187 1 . ASN 86 86 7187 1 . THR 87 87 7187 1 . ASN 88 88 7187 1 . PRO 89 89 7187 1 . SER 90 90 7187 1 . TYR 91 91 7187 1 . GLY 92 92 7187 1 . ALA 93 93 7187 1 . CYS 94 94 7187 1 . ASN 95 95 7187 1 . PHE 96 96 7187 1 . PRO 97 97 7187 1 . SER 98 98 7187 1 . GLY 99 99 7187 1 . SER 100 100 7187 1 . ASN 101 101 7187 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 7187 _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 $Ct_ole_e_9 . 4146 . no . 'olive tree' . . Eukaryota Viridiplantae Olea europea . . . . . . . . . . . . . . . . . . . . . 7187 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 7187 _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 $Ct_ole_e_9 . 'recombinant technology' . 'Pichia pastoris' . . pichia pastoris km71 . . . . . . . . . . . . plasmid . . 'pPICZ-alpha a' . . . . . . 7187 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15Nolee9-H2O _Sample.Sf_category sample _Sample.Sf_framecode 13C15Nolee9-H2O _Sample.Entry_ID 7187 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 90%H20+10%D2O _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 rCtD '[U-13C; U-15N]' . . 1 $Ct_ole_e_9 . protein 0.7 . . mM . . . . 7187 1 2 H20 . . . . . . solvent 90 . . % . . . . 7187 1 3 D20 . . . . . . solvent 10 . . % . . . . 7187 1 stop_ save_ save_15Nolee9-H2O _Sample.Sf_category sample _Sample.Sf_framecode 15Nolee9-H2O _Sample.Entry_ID 7187 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '90% H2O 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 rCtD [U-15N] . . 1 $Ct_ole_e_9 . protein 0.7 . . mM . . . . 7187 2 2 H20 . . . . . . solvent 90 . . % . . . . 7187 2 3 D20 . . . . . . solvent 10 . . % . . . . 7187 2 stop_ save_ save_olee9-H2O _Sample.Sf_category sample _Sample.Sf_framecode olee9-H2O _Sample.Entry_ID 7187 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details H20+10%D2O _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 rCtD . . . 1 $Ct_ole_e_9 . protein 0.7 . . mM . . . . 7187 3 2 H20 . . . . . . solvent 90 . . % . . . . 7187 3 3 D20 . . . . . . solvent 10 . . % . . . . 7187 3 stop_ save_ save_olee9-D2O _Sample.Sf_category sample _Sample.Sf_framecode olee9-D2O _Sample.Entry_ID 7187 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 rCtD . . . 1 $Ct_ole_e_9 . protein 0.7 . . mM . . . . 7187 4 2 D20 . . . . . . solvent 100 . . % . . . . 7187 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7187 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 0.1 pH 7187 1 temperature 298 0.1 K 7187 1 stop_ save_ ############################ # Computer software used # ############################ save_topspin _Software.Sf_category software _Software.Sf_framecode topspin _Software.Entry_ID 7187 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7187 1 stop_ save_ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 7187 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.111 _Software.Details . save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 7187 _Software.ID 3 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7187 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7187 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV-800 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7187 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'A CRYOPROBE WAS EMPLOYED' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV-600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7187 _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 '1H15N13C HNCA' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 2 '1H15N13C HNCOCA' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 3 '1H15N13C CBCANH' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 4 '1H15N13C CBCACONH' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 5 '1H15N HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 6 '1H13C HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 7 '1H13C HCCH TOCSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 8 '1H TOCSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 9 'multiplicity edited 1H13C HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 10 '1H15N NOESY HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 11 '1H13C NOESY HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 12 '1H COSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 13 '1H NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7187 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7187 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7187 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7187 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7187 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_SHIFTSOlee9 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode SHIFTSOlee9 _Assigned_chem_shift_list.Entry_ID 7187 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '1H15N13C HNCA' 1 $13C15Nolee9-H2O isotropic 7187 1 2 '1H15N13C HNCOCA' 1 $13C15Nolee9-H2O isotropic 7187 1 3 '1H15N13C CBCANH' 1 $13C15Nolee9-H2O isotropic 7187 1 4 '1H15N13C CBCACONH' 1 $13C15Nolee9-H2O isotropic 7187 1 5 '1H15N HSQC' 2 $15Nolee9-H2O isotropic 7187 1 6 '1H13C HSQC' 1 $13C15Nolee9-H2O isotropic 7187 1 7 '1H13C HCCH TOCSY' 1 $13C15Nolee9-H2O isotropic 7187 1 8 '1H TOCSY' 3 $olee9-H2O isotropic 7187 1 8 '1H TOCSY' 4 $olee9-D2O isotropic 7187 1 9 'multiplicity edited 1H13C HSQC' 1 $13C15Nolee9-H2O isotropic 7187 1 10 '1H15N NOESY HSQC' 2 $15Nolee9-H2O isotropic 7187 1 11 '1H13C NOESY HSQC' 1 $13C15Nolee9-H2O isotropic 7187 1 12 '1H COSY' 4 $olee9-D2O isotropic 7187 1 12 '1H COSY' 3 $olee9-H2O isotropic 7187 1 13 '1H NOESY' 4 $olee9-D2O isotropic 7187 1 13 '1H NOESY' 3 $olee9-H2O isotropic 7187 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $topspin . . 7187 1 2 $sparky . . 7187 1 3 $xwinnmr . . 7187 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 1 1 ALA H H 1 8.396 0.001 . 1 . . . . 1 ALA H . 7187 1 2 . 1 1 1 1 ALA HA H 1 4.252 0.011 . 1 . . . . 1 ALA HA . 7187 1 3 . 1 1 1 1 ALA HB1 H 1 1.562 0.003 . 1 . . . . 1 ALA HB . 7187 1 4 . 1 1 1 1 ALA HB2 H 1 1.562 0.003 . 1 . . . . 1 ALA HB . 7187 1 5 . 1 1 1 1 ALA HB3 H 1 1.562 0.003 . 1 . . . . 1 ALA HB . 7187 1 6 . 1 1 1 1 ALA C C 13 170.96 0.1 . 1 . . . . 1 ALA C . 7187 1 7 . 1 1 1 1 ALA CA C 13 51.779 0.029 . 1 . . . . 1 ALA CA . 7187 1 8 . 1 1 1 1 ALA CB C 13 19.519 0.048 . 1 . . . . 1 ALA CB . 7187 1 9 . 1 1 1 1 ALA N N 15 119.334 0.1 . 1 . . . . 1 ALA N . 7187 1 10 . 1 1 2 2 THR H H 1 8.598 0.004 . 1 . . . . 2 THR H . 7187 1 11 . 1 1 2 2 THR HA H 1 4.77 0.021 . 1 . . . . 2 THR HA . 7187 1 12 . 1 1 2 2 THR HB H 1 4.146 0.014 . 1 . . . . 2 THR HB . 7187 1 13 . 1 1 2 2 THR HG21 H 1 1.398 0.007 . 1 . . . . 2 THR HG2 . 7187 1 14 . 1 1 2 2 THR HG22 H 1 1.398 0.007 . 1 . . . . 2 THR HG2 . 7187 1 15 . 1 1 2 2 THR HG23 H 1 1.398 0.007 . 1 . . . . 2 THR HG2 . 7187 1 16 . 1 1 2 2 THR CA C 13 59.055 0.039 . 1 . . . . 2 THR CA . 7187 1 17 . 1 1 2 2 THR CG2 C 13 20.496 0.073 . 1 . . . . 2 THR CG2 . 7187 1 18 . 1 1 2 2 THR N N 15 116.579 0.06 . 1 . . . . 2 THR N . 7187 1 19 . 1 1 3 3 PRO HA H 1 4.581 0.02 . 1 . . . . 3 PRO HA . 7187 1 20 . 1 1 3 3 PRO HB2 H 1 1.913 0.001 . 2 . . . . 3 PRO HB2 . 7187 1 21 . 1 1 3 3 PRO HB3 H 1 2.059 0.001 . 2 . . . . 3 PRO HB3 . 7187 1 22 . 1 1 3 3 PRO HG2 H 1 2.331 0.001 . 1 . . . . 3 PRO HG2 . 7187 1 23 . 1 1 3 3 PRO HG3 H 1 2.331 0.001 . 1 . . . . 3 PRO HG3 . 7187 1 24 . 1 1 3 3 PRO HD2 H 1 3.528 0.001 . 2 . . . . 3 PRO HD2 . 7187 1 25 . 1 1 3 3 PRO HD3 H 1 3.902 0.001 . 2 . . . . 3 PRO HD3 . 7187 1 26 . 1 1 3 3 PRO C C 13 173.723 0.1 . 1 . . . . 3 PRO C . 7187 1 27 . 1 1 3 3 PRO CA C 13 62.915 0.041 . 1 . . . . 3 PRO CA . 7187 1 28 . 1 1 3 3 PRO CB C 13 32.145 0.028 . 1 . . . . 3 PRO CB . 7187 1 29 . 1 1 4 4 THR H H 1 8.327 0.011 . 1 . . . . 4 THR H . 7187 1 30 . 1 1 4 4 THR HA H 1 4.732 0.022 . 1 . . . . 4 THR HA . 7187 1 31 . 1 1 4 4 THR HB H 1 3.624 0.001 . 1 . . . . 4 THR HB . 7187 1 32 . 1 1 4 4 THR HG21 H 1 1.383 0.001 . 1 . . . . 4 THR HG2 . 7187 1 33 . 1 1 4 4 THR HG22 H 1 1.383 0.001 . 1 . . . . 4 THR HG2 . 7187 1 34 . 1 1 4 4 THR HG23 H 1 1.383 0.001 . 1 . . . . 4 THR HG2 . 7187 1 35 . 1 1 4 4 THR CA C 13 58.994 0.031 . 1 . . . . 4 THR CA . 7187 1 36 . 1 1 4 4 THR N N 15 117.322 0.056 . 1 . . . . 4 THR N . 7187 1 37 . 1 1 5 5 PRO HA H 1 4.591 0.02 . 1 . . . . 5 PRO HA . 7187 1 38 . 1 1 5 5 PRO HD2 H 1 3.734 0.005 . 2 . . . . 5 PRO HD2 . 7187 1 39 . 1 1 5 5 PRO HD3 H 1 3.89 0.007 . 2 . . . . 5 PRO HD3 . 7187 1 40 . 1 1 5 5 PRO C C 13 173.631 0.1 . 1 . . . . 5 PRO C . 7187 1 41 . 1 1 5 5 PRO CA C 13 62.943 0.055 . 1 . . . . 5 PRO CA . 7187 1 42 . 1 1 5 5 PRO CB C 13 32.215 0.027 . 1 . . . . 5 PRO CB . 7187 1 43 . 1 1 5 5 PRO CG C 13 27.433 0.1 . 1 . . . . 5 PRO CG . 7187 1 44 . 1 1 5 5 PRO CD C 13 51.367 0.055 . 1 . . . . 5 PRO CD . 7187 1 45 . 1 1 6 6 THR H H 1 8.359 0.013 . 1 . . . . 6 THR H . 7187 1 46 . 1 1 6 6 THR HA H 1 4.741 0.005 . 1 . . . . 6 THR HA . 7187 1 47 . 1 1 6 6 THR HG21 H 1 1.39 0.001 . 1 . . . . 6 THR HG2 . 7187 1 48 . 1 1 6 6 THR HG22 H 1 1.39 0.001 . 1 . . . . 6 THR HG2 . 7187 1 49 . 1 1 6 6 THR HG23 H 1 1.39 0.001 . 1 . . . . 6 THR HG2 . 7187 1 50 . 1 1 6 6 THR CA C 13 59.022 0.016 . 1 . . . . 6 THR CA . 7187 1 51 . 1 1 6 6 THR N N 15 117.723 0.058 . 1 . . . . 6 THR N . 7187 1 52 . 1 1 7 7 PRO HA H 1 4.453 0.006 . 1 . . . . 7 PRO HA . 7187 1 53 . 1 1 7 7 PRO HB2 H 1 1.926 0.006 . 2 . . . . 7 PRO HB2 . 7187 1 54 . 1 1 7 7 PRO HB3 H 1 2.33 0.002 . 2 . . . . 7 PRO HB3 . 7187 1 55 . 1 1 7 7 PRO HG2 H 1 2.033 0.004 . 1 . . . . 7 PRO HG2 . 7187 1 56 . 1 1 7 7 PRO HG3 H 1 2.07 0.003 . 1 . . . . 7 PRO HG3 . 7187 1 57 . 1 1 7 7 PRO HD2 H 1 3.755 0.007 . 2 . . . . 7 PRO HD2 . 7187 1 58 . 1 1 7 7 PRO HD3 H 1 3.901 0.005 . 2 . . . . 7 PRO HD3 . 7187 1 59 . 1 1 7 7 PRO C C 13 172.841 0.1 . 1 . . . . 7 PRO C . 7187 1 60 . 1 1 7 7 PRO CA C 13 63.099 0.084 . 1 . . . . 7 PRO CA . 7187 1 61 . 1 1 7 7 PRO CB C 13 32.255 0.047 . 1 . . . . 7 PRO CB . 7187 1 62 . 1 1 7 7 PRO CG C 13 27.473 0.042 . 1 . . . . 7 PRO CG . 7187 1 63 . 1 1 7 7 PRO CD C 13 51.219 0.052 . 1 . . . . 7 PRO CD . 7187 1 64 . 1 1 8 8 LYS H H 1 8.367 0.006 . 1 . . . . 8 LYS H . 7187 1 65 . 1 1 8 8 LYS HA H 1 4.305 0.014 . 1 . . . . 8 LYS HA . 7187 1 66 . 1 1 8 8 LYS HB2 H 1 1.785 0.005 . 2 . . . . 8 LYS HB2 . 7187 1 67 . 1 1 8 8 LYS HB3 H 1 1.847 0.002 . 2 . . . . 8 LYS HB3 . 7187 1 68 . 1 1 8 8 LYS HG2 H 1 1.49 0.005 . 2 . . . . 8 LYS HG2 . 7187 1 69 . 1 1 8 8 LYS HG3 H 1 1.523 0.007 . 2 . . . . 8 LYS HG3 . 7187 1 70 . 1 1 8 8 LYS HD2 H 1 1.729 0.007 . 1 . . . . 8 LYS HD2 . 7187 1 71 . 1 1 8 8 LYS HD3 H 1 1.729 0.007 . 1 . . . . 8 LYS HD3 . 7187 1 72 . 1 1 8 8 LYS HE2 H 1 3.049 0.006 . 1 . . . . 8 LYS HE2 . 7187 1 73 . 1 1 8 8 LYS HE3 H 1 3.049 0.006 . 1 . . . . 8 LYS HE3 . 7187 1 74 . 1 1 8 8 LYS C C 13 173.646 0.1 . 1 . . . . 8 LYS C . 7187 1 75 . 1 1 8 8 LYS CA C 13 56.219 0.045 . 1 . . . . 8 LYS CA . 7187 1 76 . 1 1 8 8 LYS CB C 13 33.269 0.108 . 1 . . . . 8 LYS CB . 7187 1 77 . 1 1 8 8 LYS CG C 13 24.79 0.075 . 1 . . . . 8 LYS CG . 7187 1 78 . 1 1 8 8 LYS CD C 13 29.204 0.037 . 1 . . . . 8 LYS CD . 7187 1 79 . 1 1 8 8 LYS CE C 13 42.234 0.029 . 1 . . . . 8 LYS CE . 7187 1 80 . 1 1 8 8 LYS N N 15 121.747 0.062 . 1 . . . . 8 LYS N . 7187 1 81 . 1 1 9 9 ALA H H 1 8.349 0.019 . 1 . . . . 9 ALA H . 7187 1 82 . 1 1 9 9 ALA HA H 1 4.351 0.016 . 1 . . . . 9 ALA HA . 7187 1 83 . 1 1 9 9 ALA HB1 H 1 1.434 0.015 . 1 . . . . 9 ALA HB . 7187 1 84 . 1 1 9 9 ALA HB2 H 1 1.434 0.015 . 1 . . . . 9 ALA HB . 7187 1 85 . 1 1 9 9 ALA HB3 H 1 1.434 0.015 . 1 . . . . 9 ALA HB . 7187 1 86 . 1 1 9 9 ALA C C 13 174.56 0.1 . 1 . . . . 9 ALA C . 7187 1 87 . 1 1 9 9 ALA CA C 13 52.317 0.048 . 1 . . . . 9 ALA CA . 7187 1 88 . 1 1 9 9 ALA CB C 13 19.522 0.028 . 1 . . . . 9 ALA CB . 7187 1 89 . 1 1 9 9 ALA N N 15 125.947 0.151 . 1 . . . . 9 ALA N . 7187 1 90 . 1 1 10 10 ALA H H 1 8.375 0.018 . 1 . . . . 10 ALA H . 7187 1 91 . 1 1 10 10 ALA HA H 1 4.395 0.017 . 1 . . . . 10 ALA HA . 7187 1 92 . 1 1 10 10 ALA HB1 H 1 1.454 0.021 . 1 . . . . 10 ALA HB . 7187 1 93 . 1 1 10 10 ALA HB2 H 1 1.454 0.021 . 1 . . . . 10 ALA HB . 7187 1 94 . 1 1 10 10 ALA HB3 H 1 1.454 0.021 . 1 . . . . 10 ALA HB . 7187 1 95 . 1 1 10 10 ALA C C 13 174.885 0.1 . 1 . . . . 10 ALA C . 7187 1 96 . 1 1 10 10 ALA CA C 13 52.305 0.045 . 1 . . . . 10 ALA CA . 7187 1 97 . 1 1 10 10 ALA CB C 13 19.716 0.049 . 1 . . . . 10 ALA CB . 7187 1 98 . 1 1 10 10 ALA N N 15 124.043 0.104 . 1 . . . . 10 ALA N . 7187 1 99 . 1 1 11 11 GLY H H 1 8.054 0.02 . 1 . . . . 11 GLY H . 7187 1 100 . 1 1 11 11 GLY HA2 H 1 3.42 0.018 . 2 . . . . 11 GLY HA2 . 7187 1 101 . 1 1 11 11 GLY HA3 H 1 3.734 0.019 . 2 . . . . 11 GLY HA3 . 7187 1 102 . 1 1 11 11 GLY C C 13 169.522 0.1 . 1 . . . . 11 GLY C . 7187 1 103 . 1 1 11 11 GLY CA C 13 45.268 0.066 . 1 . . . . 11 GLY CA . 7187 1 104 . 1 1 11 11 GLY N N 15 107.617 0.147 . 1 . . . . 11 GLY N . 7187 1 105 . 1 1 12 12 SER H H 1 7.129 0.008 . 1 . . . . 12 SER H . 7187 1 106 . 1 1 12 12 SER HA H 1 4.808 0.004 . 1 . . . . 12 SER HA . 7187 1 107 . 1 1 12 12 SER HB2 H 1 3.468 0.019 . 2 . . . . 12 SER HB2 . 7187 1 108 . 1 1 12 12 SER HB3 H 1 3.594 0.011 . 2 . . . . 12 SER HB3 . 7187 1 109 . 1 1 12 12 SER C C 13 169.371 0.1 . 1 . . . . 12 SER C . 7187 1 110 . 1 1 12 12 SER CA C 13 57.941 0.03 . 1 . . . . 12 SER CA . 7187 1 111 . 1 1 12 12 SER CB C 13 65.394 0.041 . 1 . . . . 12 SER CB . 7187 1 112 . 1 1 12 12 SER N N 15 113.337 0.042 . 1 . . . . 12 SER N . 7187 1 113 . 1 1 13 13 TRP H H 1 8.817 0.014 . 1 . . . . 13 TRP H . 7187 1 114 . 1 1 13 13 TRP HA H 1 5.064 0.022 . 1 . . . . 13 TRP HA . 7187 1 115 . 1 1 13 13 TRP HB2 H 1 2.919 0.017 . 1 . . . . 13 TRP HB2 . 7187 1 116 . 1 1 13 13 TRP HB3 H 1 2.785 0.021 . 1 . . . . 13 TRP HB3 . 7187 1 117 . 1 1 13 13 TRP HD1 H 1 7.235 0.002 . 1 . . . . 13 TRP HD1 . 7187 1 118 . 1 1 13 13 TRP HE1 H 1 9.245 0.001 . 1 . . . . 13 TRP HE1 . 7187 1 119 . 1 1 13 13 TRP HE3 H 1 7.585 0.001 . 1 . . . . 13 TRP HE3 . 7187 1 120 . 1 1 13 13 TRP HZ2 H 1 7.432 0.003 . 1 . . . . 13 TRP HZ2 . 7187 1 121 . 1 1 13 13 TRP HZ3 H 1 6.772 0.002 . 1 . . . . 13 TRP HZ3 . 7187 1 122 . 1 1 13 13 TRP HH2 H 1 7.162 0.002 . 1 . . . . 13 TRP HH2 . 7187 1 123 . 1 1 13 13 TRP C C 13 170.611 0.1 . 1 . . . . 13 TRP C . 7187 1 124 . 1 1 13 13 TRP CA C 13 58.06 0.069 . 1 . . . . 13 TRP CA . 7187 1 125 . 1 1 13 13 TRP CB C 13 32.883 0.032 . 1 . . . . 13 TRP CB . 7187 1 126 . 1 1 13 13 TRP CD1 C 13 124.247 0.1 . 1 . . . . 13 TRP CD1 . 7187 1 127 . 1 1 13 13 TRP CE3 C 13 116.848 0.1 . 1 . . . . 13 TRP CE3 . 7187 1 128 . 1 1 13 13 TRP CZ2 C 13 111.967 0.1 . 1 . . . . 13 TRP CZ2 . 7187 1 129 . 1 1 13 13 TRP CH2 C 13 120.916 0.1 . 1 . . . . 13 TRP CH2 . 7187 1 130 . 1 1 13 13 TRP N N 15 121.451 0.156 . 1 . . . . 13 TRP N . 7187 1 131 . 1 1 14 14 CYS H H 1 8.362 0.006 . 1 . . . . 14 CYS H . 7187 1 132 . 1 1 14 14 CYS HA H 1 5.137 0.011 . 1 . . . . 14 CYS HA . 7187 1 133 . 1 1 14 14 CYS HB2 H 1 1.99 0.008 . 2 . . . . 14 CYS HB2 . 7187 1 134 . 1 1 14 14 CYS HB3 H 1 2.873 0.012 . 2 . . . . 14 CYS HB3 . 7187 1 135 . 1 1 14 14 CYS C C 13 169.597 0.1 . 1 . . . . 14 CYS C . 7187 1 136 . 1 1 14 14 CYS CA C 13 55.22 0.056 . 1 . . . . 14 CYS CA . 7187 1 137 . 1 1 14 14 CYS CB C 13 41.683 0.105 . 1 . . . . 14 CYS CB . 7187 1 138 . 1 1 14 14 CYS N N 15 121.989 0.131 . 1 . . . . 14 CYS N . 7187 1 139 . 1 1 15 15 VAL H H 1 8.821 0.011 . 1 . . . . 15 VAL H . 7187 1 140 . 1 1 15 15 VAL HA H 1 5.109 0.013 . 1 . . . . 15 VAL HA . 7187 1 141 . 1 1 15 15 VAL HB H 1 2.506 0.009 . 1 . . . . 15 VAL HB . 7187 1 142 . 1 1 15 15 VAL HG11 H 1 0.946 0.007 . 1 . . . . 15 VAL HG1 . 7187 1 143 . 1 1 15 15 VAL HG12 H 1 0.946 0.007 . 1 . . . . 15 VAL HG1 . 7187 1 144 . 1 1 15 15 VAL HG13 H 1 0.946 0.007 . 1 . . . . 15 VAL HG1 . 7187 1 145 . 1 1 15 15 VAL HG21 H 1 0.734 0.014 . 1 . . . . 15 VAL HG2 . 7187 1 146 . 1 1 15 15 VAL HG22 H 1 0.734 0.014 . 1 . . . . 15 VAL HG2 . 7187 1 147 . 1 1 15 15 VAL HG23 H 1 0.734 0.014 . 1 . . . . 15 VAL HG2 . 7187 1 148 . 1 1 15 15 VAL CA C 13 58.055 0.03 . 1 . . . . 15 VAL CA . 7187 1 149 . 1 1 15 15 VAL CB C 13 34.188 0.066 . 1 . . . . 15 VAL CB . 7187 1 150 . 1 1 15 15 VAL CG1 C 13 17.598 0.075 . 2 . . . . 15 VAL CG1 . 7187 1 151 . 1 1 15 15 VAL CG2 C 13 21.821 0.059 . 2 . . . . 15 VAL CG2 . 7187 1 152 . 1 1 15 15 VAL N N 15 116.171 0.063 . 1 . . . . 15 VAL N . 7187 1 153 . 1 1 16 16 PRO HA H 1 4.704 0.01 . 1 . . . . 16 PRO HA . 7187 1 154 . 1 1 16 16 PRO HB2 H 1 2.026 0.006 . 2 . . . . 16 PRO HB2 . 7187 1 155 . 1 1 16 16 PRO HB3 H 1 2.322 0.01 . 2 . . . . 16 PRO HB3 . 7187 1 156 . 1 1 16 16 PRO HG2 H 1 2.161 0.008 . 1 . . . . 16 PRO HG2 . 7187 1 157 . 1 1 16 16 PRO HG3 H 1 1.965 0.005 . 1 . . . . 16 PRO HG3 . 7187 1 158 . 1 1 16 16 PRO HD2 H 1 3.732 0.013 . 1 . . . . 16 PRO HD2 . 7187 1 159 . 1 1 16 16 PRO HD3 H 1 3.899 0.01 . 1 . . . . 16 PRO HD3 . 7187 1 160 . 1 1 16 16 PRO C C 13 174.095 0.1 . 1 . . . . 16 PRO C . 7187 1 161 . 1 1 16 16 PRO CA C 13 62.501 0.064 . 1 . . . . 16 PRO CA . 7187 1 162 . 1 1 16 16 PRO CB C 13 32.265 0.087 . 1 . . . . 16 PRO CB . 7187 1 163 . 1 1 16 16 PRO CG C 13 27.793 0.113 . 1 . . . . 16 PRO CG . 7187 1 164 . 1 1 16 16 PRO CD C 13 50.195 0.023 . 1 . . . . 16 PRO CD . 7187 1 165 . 1 1 17 17 LYS H H 1 8.36 0.003 . 1 . . . . 17 LYS H . 7187 1 166 . 1 1 17 17 LYS HA H 1 4.217 0.008 . 1 . . . . 17 LYS HA . 7187 1 167 . 1 1 17 17 LYS HB2 H 1 1.427 0.005 . 2 . . . . 17 LYS HB2 . 7187 1 168 . 1 1 17 17 LYS HB3 H 1 1.794 0.006 . 2 . . . . 17 LYS HB3 . 7187 1 169 . 1 1 17 17 LYS HG2 H 1 1.103 0.009 . 2 . . . . 17 LYS HG2 . 7187 1 170 . 1 1 17 17 LYS HG3 H 1 1.341 0.005 . 2 . . . . 17 LYS HG3 . 7187 1 171 . 1 1 17 17 LYS HD2 H 1 1.586 0.008 . 1 . . . . 17 LYS HD2 . 7187 1 172 . 1 1 17 17 LYS HD3 H 1 1.586 0.008 . 1 . . . . 17 LYS HD3 . 7187 1 173 . 1 1 17 17 LYS HE2 H 1 2.896 0.01 . 2 . . . . 17 LYS HE2 . 7187 1 174 . 1 1 17 17 LYS HE3 H 1 2.914 0.001 . 2 . . . . 17 LYS HE3 . 7187 1 175 . 1 1 17 17 LYS CA C 13 55.432 0.126 . 1 . . . . 17 LYS CA . 7187 1 176 . 1 1 17 17 LYS CB C 13 32.587 0.122 . 1 . . . . 17 LYS CB . 7187 1 177 . 1 1 17 17 LYS CG C 13 26.393 0.103 . 1 . . . . 17 LYS CG . 7187 1 178 . 1 1 17 17 LYS CD C 13 30.025 0.053 . 1 . . . . 17 LYS CD . 7187 1 179 . 1 1 17 17 LYS CE C 13 41.997 0.041 . 1 . . . . 17 LYS CE . 7187 1 180 . 1 1 17 17 LYS N N 15 122.741 0.057 . 1 . . . . 17 LYS N . 7187 1 181 . 1 1 18 18 PRO HA H 1 4.414 0.019 . 1 . . . . 18 PRO HA . 7187 1 182 . 1 1 18 18 PRO HB2 H 1 2.318 0.008 . 1 . . . . 18 PRO HB2 . 7187 1 183 . 1 1 18 18 PRO HB3 H 1 1.883 0.007 . 1 . . . . 18 PRO HB3 . 7187 1 184 . 1 1 18 18 PRO HG2 H 1 1.969 0.002 . 2 . . . . 18 PRO HG2 . 7187 1 185 . 1 1 18 18 PRO HG3 H 1 2.164 0.002 . 2 . . . . 18 PRO HG3 . 7187 1 186 . 1 1 18 18 PRO HD2 H 1 3.612 0.008 . 1 . . . . 18 PRO HD2 . 7187 1 187 . 1 1 18 18 PRO HD3 H 1 3.812 0.011 . 1 . . . . 18 PRO HD3 . 7187 1 188 . 1 1 18 18 PRO C C 13 175.53 0.1 . 1 . . . . 18 PRO C . 7187 1 189 . 1 1 18 18 PRO CA C 13 63.461 0.058 . 1 . . . . 18 PRO CA . 7187 1 190 . 1 1 18 18 PRO CB C 13 31.664 0.06 . 1 . . . . 18 PRO CB . 7187 1 191 . 1 1 18 18 PRO CG C 13 27.651 0.084 . 1 . . . . 18 PRO CG . 7187 1 192 . 1 1 18 18 PRO CD C 13 50.289 0.076 . 1 . . . . 18 PRO CD . 7187 1 193 . 1 1 19 19 GLY H H 1 8.615 0.014 . 1 . . . . 19 GLY H . 7187 1 194 . 1 1 19 19 GLY HA2 H 1 3.759 0.01 . 2 . . . . 19 GLY HA2 . 7187 1 195 . 1 1 19 19 GLY HA3 H 1 4.061 0.019 . 2 . . . . 19 GLY HA3 . 7187 1 196 . 1 1 19 19 GLY C C 13 171.704 0.1 . 1 . . . . 19 GLY C . 7187 1 197 . 1 1 19 19 GLY CA C 13 45.784 0.085 . 1 . . . . 19 GLY CA . 7187 1 198 . 1 1 19 19 GLY N N 15 109.758 0.122 . 1 . . . . 19 GLY N . 7187 1 199 . 1 1 20 20 VAL H H 1 6.945 0.012 . 1 . . . . 20 VAL H . 7187 1 200 . 1 1 20 20 VAL HA H 1 4.058 0.022 . 1 . . . . 20 VAL HA . 7187 1 201 . 1 1 20 20 VAL HB H 1 1.94 0.015 . 1 . . . . 20 VAL HB . 7187 1 202 . 1 1 20 20 VAL HG11 H 1 1.105 0.011 . 2 . . . . 20 VAL HG1 . 7187 1 203 . 1 1 20 20 VAL HG12 H 1 1.105 0.011 . 2 . . . . 20 VAL HG1 . 7187 1 204 . 1 1 20 20 VAL HG13 H 1 1.105 0.011 . 2 . . . . 20 VAL HG1 . 7187 1 205 . 1 1 20 20 VAL HG21 H 1 1.17 0.02 . 2 . . . . 20 VAL HG2 . 7187 1 206 . 1 1 20 20 VAL HG22 H 1 1.17 0.02 . 2 . . . . 20 VAL HG2 . 7187 1 207 . 1 1 20 20 VAL HG23 H 1 1.17 0.02 . 2 . . . . 20 VAL HG2 . 7187 1 208 . 1 1 20 20 VAL C C 13 173.254 0.1 . 1 . . . . 20 VAL C . 7187 1 209 . 1 1 20 20 VAL CA C 13 62.654 0.061 . 1 . . . . 20 VAL CA . 7187 1 210 . 1 1 20 20 VAL CB C 13 32.574 0.088 . 1 . . . . 20 VAL CB . 7187 1 211 . 1 1 20 20 VAL CG1 C 13 22.255 0.1 . 2 . . . . 20 VAL CG1 . 7187 1 212 . 1 1 20 20 VAL CG2 C 13 22.187 0.054 . 2 . . . . 20 VAL CG2 . 7187 1 213 . 1 1 20 20 VAL N N 15 119.893 0.06 . 1 . . . . 20 VAL N . 7187 1 214 . 1 1 21 21 SER H H 1 8.729 0.027 . 1 . . . . 21 SER H . 7187 1 215 . 1 1 21 21 SER HA H 1 4.441 0.011 . 1 . . . . 21 SER HA . 7187 1 216 . 1 1 21 21 SER HB2 H 1 4.139 0.016 . 2 . . . . 21 SER HB2 . 7187 1 217 . 1 1 21 21 SER HB3 H 1 4.385 0.008 . 2 . . . . 21 SER HB3 . 7187 1 218 . 1 1 21 21 SER C C 13 172.367 0.1 . 1 . . . . 21 SER C . 7187 1 219 . 1 1 21 21 SER CA C 13 58.359 0.028 . 1 . . . . 21 SER CA . 7187 1 220 . 1 1 21 21 SER CB C 13 65.24 0.039 . 1 . . . . 21 SER CB . 7187 1 221 . 1 1 21 21 SER N N 15 123.084 0.133 . 1 . . . . 21 SER N . 7187 1 222 . 1 1 22 22 ASP H H 1 9.051 0.035 . 1 . . . . 22 ASP H . 7187 1 223 . 1 1 22 22 ASP HA H 1 4.397 0.017 . 1 . . . . 22 ASP HA . 7187 1 224 . 1 1 22 22 ASP HB2 H 1 2.764 0.001 . 1 . . . . 22 ASP HB2 . 7187 1 225 . 1 1 22 22 ASP HB3 H 1 2.764 0.001 . 1 . . . . 22 ASP HB3 . 7187 1 226 . 1 1 22 22 ASP C C 13 176.192 0.1 . 1 . . . . 22 ASP C . 7187 1 227 . 1 1 22 22 ASP CA C 13 57.743 0.005 . 1 . . . . 22 ASP CA . 7187 1 228 . 1 1 22 22 ASP CB C 13 39.611 0.001 . 1 . . . . 22 ASP CB . 7187 1 229 . 1 1 22 22 ASP N N 15 122.658 0.112 . 1 . . . . 22 ASP N . 7187 1 230 . 1 1 23 23 ASP H H 1 8.609 0.017 . 1 . . . . 23 ASP H . 7187 1 231 . 1 1 23 23 ASP HA H 1 4.43 0.012 . 1 . . . . 23 ASP HA . 7187 1 232 . 1 1 23 23 ASP HB2 H 1 2.696 0.029 . 1 . . . . 23 ASP HB2 . 7187 1 233 . 1 1 23 23 ASP HB3 H 1 2.696 0.029 . 1 . . . . 23 ASP HB3 . 7187 1 234 . 1 1 23 23 ASP C C 13 176.594 0.1 . 1 . . . . 23 ASP C . 7187 1 235 . 1 1 23 23 ASP CA C 13 57.648 0.078 . 1 . . . . 23 ASP CA . 7187 1 236 . 1 1 23 23 ASP CB C 13 39.964 0.177 . 1 . . . . 23 ASP CB . 7187 1 237 . 1 1 23 23 ASP N N 15 119.569 0.045 . 1 . . . . 23 ASP N . 7187 1 238 . 1 1 24 24 GLN H H 1 7.74 0.013 . 1 . . . . 24 GLN H . 7187 1 239 . 1 1 24 24 GLN HA H 1 4.161 0.015 . 1 . . . . 24 GLN HA . 7187 1 240 . 1 1 24 24 GLN HB2 H 1 2.007 0.016 . 2 . . . . 24 GLN HB2 . 7187 1 241 . 1 1 24 24 GLN HB3 H 1 2.346 0.007 . 2 . . . . 24 GLN HB3 . 7187 1 242 . 1 1 24 24 GLN HG2 H 1 2.371 0.007 . 2 . . . . 24 GLN HG2 . 7187 1 243 . 1 1 24 24 GLN HG3 H 1 2.45 0.005 . 2 . . . . 24 GLN HG3 . 7187 1 244 . 1 1 24 24 GLN C C 13 176.232 0.1 . 1 . . . . 24 GLN C . 7187 1 245 . 1 1 24 24 GLN CA C 13 58.723 0.047 . 1 . . . . 24 GLN CA . 7187 1 246 . 1 1 24 24 GLN CB C 13 29.316 0.088 . 1 . . . . 24 GLN CB . 7187 1 247 . 1 1 24 24 GLN CG C 13 35.512 0.134 . 1 . . . . 24 GLN CG . 7187 1 248 . 1 1 24 24 GLN N N 15 120.659 0.079 . 1 . . . . 24 GLN N . 7187 1 249 . 1 1 25 25 LEU H H 1 8.24 0.012 . 1 . . . . 25 LEU H . 7187 1 250 . 1 1 25 25 LEU HA H 1 3.956 0.015 . 1 . . . . 25 LEU HA . 7187 1 251 . 1 1 25 25 LEU HB2 H 1 1.166 0.02 . 1 . . . . 25 LEU HB2 . 7187 1 252 . 1 1 25 25 LEU HB3 H 1 2.087 0.022 . 1 . . . . 25 LEU HB3 . 7187 1 253 . 1 1 25 25 LEU HG H 1 1.928 0.016 . 1 . . . . 25 LEU HG . 7187 1 254 . 1 1 25 25 LEU HD11 H 1 0.754 0.01 . 1 . . . . 25 LEU HD1 . 7187 1 255 . 1 1 25 25 LEU HD12 H 1 0.754 0.01 . 1 . . . . 25 LEU HD1 . 7187 1 256 . 1 1 25 25 LEU HD13 H 1 0.754 0.01 . 1 . . . . 25 LEU HD1 . 7187 1 257 . 1 1 25 25 LEU HD21 H 1 0.89 0.011 . 1 . . . . 25 LEU HD2 . 7187 1 258 . 1 1 25 25 LEU HD22 H 1 0.89 0.011 . 1 . . . . 25 LEU HD2 . 7187 1 259 . 1 1 25 25 LEU HD23 H 1 0.89 0.011 . 1 . . . . 25 LEU HD2 . 7187 1 260 . 1 1 25 25 LEU C C 13 176.292 0.1 . 1 . . . . 25 LEU C . 7187 1 261 . 1 1 25 25 LEU CA C 13 58.235 0.086 . 1 . . . . 25 LEU CA . 7187 1 262 . 1 1 25 25 LEU CB C 13 41.7 0.113 . 1 . . . . 25 LEU CB . 7187 1 263 . 1 1 25 25 LEU CG C 13 26.074 0.089 . 1 . . . . 25 LEU CG . 7187 1 264 . 1 1 25 25 LEU CD1 C 13 22.682 0.083 . 2 . . . . 25 LEU CD1 . 7187 1 265 . 1 1 25 25 LEU CD2 C 13 26.064 0.084 . 2 . . . . 25 LEU CD2 . 7187 1 266 . 1 1 25 25 LEU N N 15 119.772 0.074 . 1 . . . . 25 LEU N . 7187 1 267 . 1 1 26 26 THR H H 1 8.701 0.025 . 1 . . . . 26 THR H . 7187 1 268 . 1 1 26 26 THR HA H 1 3.861 0.017 . 1 . . . . 26 THR HA . 7187 1 269 . 1 1 26 26 THR HB H 1 4.364 0.02 . 1 . . . . 26 THR HB . 7187 1 270 . 1 1 26 26 THR HG21 H 1 1.288 0.019 . 1 . . . . 26 THR HG2 . 7187 1 271 . 1 1 26 26 THR HG22 H 1 1.288 0.019 . 1 . . . . 26 THR HG2 . 7187 1 272 . 1 1 26 26 THR HG23 H 1 1.288 0.019 . 1 . . . . 26 THR HG2 . 7187 1 273 . 1 1 26 26 THR C C 13 173.956 0.1 . 1 . . . . 26 THR C . 7187 1 274 . 1 1 26 26 THR CA C 13 67.677 0.097 . 1 . . . . 26 THR CA . 7187 1 275 . 1 1 26 26 THR CB C 13 68.666 0.11 . 1 . . . . 26 THR CB . 7187 1 276 . 1 1 26 26 THR CG2 C 13 21.768 0.037 . 1 . . . . 26 THR CG2 . 7187 1 277 . 1 1 26 26 THR N N 15 117.722 0.111 . 1 . . . . 26 THR N . 7187 1 278 . 1 1 27 27 GLY H H 1 7.699 0.015 . 1 . . . . 27 GLY H . 7187 1 279 . 1 1 27 27 GLY HA2 H 1 3.967 0.013 . 1 . . . . 27 GLY HA2 . 7187 1 280 . 1 1 27 27 GLY HA3 H 1 4.088 0.015 . 1 . . . . 27 GLY HA3 . 7187 1 281 . 1 1 27 27 GLY C C 13 174.077 0.1 . 1 . . . . 27 GLY C . 7187 1 282 . 1 1 27 27 GLY CA C 13 47.465 0.042 . 1 . . . . 27 GLY CA . 7187 1 283 . 1 1 27 27 GLY N N 15 109.28 0.151 . 1 . . . . 27 GLY N . 7187 1 284 . 1 1 28 28 ASN H H 1 8.068 0.01 . 1 . . . . 28 ASN H . 7187 1 285 . 1 1 28 28 ASN HA H 1 4.63 0.01 . 1 . . . . 28 ASN HA . 7187 1 286 . 1 1 28 28 ASN HB2 H 1 2.221 0.02 . 2 . . . . 28 ASN HB2 . 7187 1 287 . 1 1 28 28 ASN HB3 H 1 3.27 0.018 . 2 . . . . 28 ASN HB3 . 7187 1 288 . 1 1 28 28 ASN HD21 H 1 6.171 0.389 . 2 . . . . 28 ASN HD21 . 7187 1 289 . 1 1 28 28 ASN HD22 H 1 7.9 0.01 . 2 . . . . 28 ASN HD22 . 7187 1 290 . 1 1 28 28 ASN C C 13 174.739 0.1 . 1 . . . . 28 ASN C . 7187 1 291 . 1 1 28 28 ASN CA C 13 55.954 0.051 . 1 . . . . 28 ASN CA . 7187 1 292 . 1 1 28 28 ASN CB C 13 37.415 0.06 . 1 . . . . 28 ASN CB . 7187 1 293 . 1 1 28 28 ASN N N 15 122.194 0.097 . 1 . . . . 28 ASN N . 7187 1 294 . 1 1 28 28 ASN ND2 N 15 106.203 0.117 . 1 . . . . 28 ASN ND2 . 7187 1 295 . 1 1 29 29 ILE H H 1 8.095 0.021 . 1 . . . . 29 ILE H . 7187 1 296 . 1 1 29 29 ILE HA H 1 3.672 0.016 . 1 . . . . 29 ILE HA . 7187 1 297 . 1 1 29 29 ILE HB H 1 2.11 0.018 . 1 . . . . 29 ILE HB . 7187 1 298 . 1 1 29 29 ILE HG12 H 1 0.773 0.012 . 1 . . . . 29 ILE HG12 . 7187 1 299 . 1 1 29 29 ILE HG13 H 1 1.934 0.009 . 1 . . . . 29 ILE HG13 . 7187 1 300 . 1 1 29 29 ILE HG21 H 1 1.022 0.014 . 1 . . . . 29 ILE HD2 . 7187 1 301 . 1 1 29 29 ILE HG22 H 1 1.022 0.014 . 1 . . . . 29 ILE HD2 . 7187 1 302 . 1 1 29 29 ILE HG23 H 1 1.022 0.014 . 1 . . . . 29 ILE HD2 . 7187 1 303 . 1 1 29 29 ILE HD11 H 1 1.123 0.013 . 1 . . . . 29 ILE HD1 . 7187 1 304 . 1 1 29 29 ILE HD12 H 1 1.123 0.013 . 1 . . . . 29 ILE HD1 . 7187 1 305 . 1 1 29 29 ILE HD13 H 1 1.123 0.013 . 1 . . . . 29 ILE HD1 . 7187 1 306 . 1 1 29 29 ILE C C 13 174.332 0.1 . 1 . . . . 29 ILE C . 7187 1 307 . 1 1 29 29 ILE CA C 13 65.804 0.153 . 1 . . . . 29 ILE CA . 7187 1 308 . 1 1 29 29 ILE CB C 13 38.667 0.088 . 1 . . . . 29 ILE CB . 7187 1 309 . 1 1 29 29 ILE CG1 C 13 29.314 0.103 . 1 . . . . 29 ILE CG1 . 7187 1 310 . 1 1 29 29 ILE CG2 C 13 17.291 0.059 . 1 . . . . 29 ILE CG2 . 7187 1 311 . 1 1 29 29 ILE CD1 C 13 14.746 0.065 . 1 . . . . 29 ILE CD1 . 7187 1 312 . 1 1 29 29 ILE N N 15 121.433 0.103 . 1 . . . . 29 ILE N . 7187 1 313 . 1 1 30 30 ASN H H 1 8.167 0.011 . 1 . . . . 30 ASN H . 7187 1 314 . 1 1 30 30 ASN HA H 1 4.373 0.014 . 1 . . . . 30 ASN HA . 7187 1 315 . 1 1 30 30 ASN HB2 H 1 2.906 0.019 . 1 . . . . 30 ASN HB2 . 7187 1 316 . 1 1 30 30 ASN HB3 H 1 2.906 0.019 . 1 . . . . 30 ASN HB3 . 7187 1 317 . 1 1 30 30 ASN C C 13 175.771 0.1 . 1 . . . . 30 ASN C . 7187 1 318 . 1 1 30 30 ASN CA C 13 55.799 0.033 . 1 . . . . 30 ASN CA . 7187 1 319 . 1 1 30 30 ASN CB C 13 37.749 0.042 . 1 . . . . 30 ASN CB . 7187 1 320 . 1 1 30 30 ASN N N 15 117.328 0.047 . 1 . . . . 30 ASN N . 7187 1 321 . 1 1 31 31 TYR H H 1 8.494 0.008 . 1 . . . . 31 TYR H . 7187 1 322 . 1 1 31 31 TYR HA H 1 4.274 0.011 . 1 . . . . 31 TYR HA . 7187 1 323 . 1 1 31 31 TYR HB2 H 1 3.346 0.022 . 1 . . . . 31 TYR HB2 . 7187 1 324 . 1 1 31 31 TYR HB3 H 1 3.035 0.014 . 1 . . . . 31 TYR HB3 . 7187 1 325 . 1 1 31 31 TYR HD1 H 1 6.922 0.003 . 1 . . . . 31 TYR HD1 . 7187 1 326 . 1 1 31 31 TYR HD2 H 1 6.922 0.003 . 1 . . . . 31 TYR HD2 . 7187 1 327 . 1 1 31 31 TYR HE1 H 1 6.372 0.002 . 1 . . . . 31 TYR HE1 . 7187 1 328 . 1 1 31 31 TYR HE2 H 1 6.372 0.002 . 1 . . . . 31 TYR HE2 . 7187 1 329 . 1 1 31 31 TYR C C 13 175.915 0.1 . 1 . . . . 31 TYR C . 7187 1 330 . 1 1 31 31 TYR CA C 13 61.495 0.091 . 1 . . . . 31 TYR CA . 7187 1 331 . 1 1 31 31 TYR CB C 13 38.639 0.208 . 1 . . . . 31 TYR CB . 7187 1 332 . 1 1 31 31 TYR CD1 C 13 129.98 0.1 . 1 . . . . 31 TYR CD1 . 7187 1 333 . 1 1 31 31 TYR CE1 C 13 115.196 0.1 . 1 . . . . 31 TYR CE1 . 7187 1 334 . 1 1 31 31 TYR N N 15 119.214 0.061 . 1 . . . . 31 TYR N . 7187 1 335 . 1 1 32 32 ALA H H 1 8.952 0.026 . 1 . . . . 32 ALA H . 7187 1 336 . 1 1 32 32 ALA HA H 1 3.533 0.027 . 1 . . . . 32 ALA HA . 7187 1 337 . 1 1 32 32 ALA HB1 H 1 1.581 0.01 . 1 . . . . 32 ALA HA . 7187 1 338 . 1 1 32 32 ALA HB2 H 1 1.581 0.01 . 1 . . . . 32 ALA HA . 7187 1 339 . 1 1 32 32 ALA HB3 H 1 1.581 0.01 . 1 . . . . 32 ALA HA . 7187 1 340 . 1 1 32 32 ALA C C 13 176.795 0.1 . 1 . . . . 32 ALA C . 7187 1 341 . 1 1 32 32 ALA CA C 13 56.333 0.017 . 1 . . . . 32 ALA CA . 7187 1 342 . 1 1 32 32 ALA CB C 13 18.463 0.048 . 1 . . . . 32 ALA CB . 7187 1 343 . 1 1 32 32 ALA N N 15 123.212 0.143 . 1 . . . . 32 ALA N . 7187 1 344 . 1 1 33 33 CYS H H 1 8.573 0.008 . 1 . . . . 33 CYS H . 7187 1 345 . 1 1 33 33 CYS HA H 1 4.379 0.018 . 1 . . . . 33 CYS HA . 7187 1 346 . 1 1 33 33 CYS HB2 H 1 3.134 0.031 . 1 . . . . 33 CYS HB2 . 7187 1 347 . 1 1 33 33 CYS HB3 H 1 3.346 0.017 . 1 . . . . 33 CYS HB3 . 7187 1 348 . 1 1 33 33 CYS C C 13 172.762 0.1 . 1 . . . . 33 CYS C . 7187 1 349 . 1 1 33 33 CYS CA C 13 58.244 0.04 . 1 . . . . 33 CYS CA . 7187 1 350 . 1 1 33 33 CYS CB C 13 40.147 0.027 . 1 . . . . 33 CYS CB . 7187 1 351 . 1 1 33 33 CYS N N 15 110.078 0.127 . 1 . . . . 33 CYS N . 7187 1 352 . 1 1 34 34 SER H H 1 7.754 0.013 . 1 . . . . 34 SER H . 7187 1 353 . 1 1 34 34 SER HA H 1 4.78 0.017 . 1 . . . . 34 SER HA . 7187 1 354 . 1 1 34 34 SER HB2 H 1 4.071 0.017 . 2 . . . . 34 SER HB2 . 7187 1 355 . 1 1 34 34 SER HB3 H 1 4.178 0.011 . 2 . . . . 34 SER HB3 . 7187 1 356 . 1 1 34 34 SER C C 13 172.276 0.1 . 1 . . . . 34 SER C . 7187 1 357 . 1 1 34 34 SER CA C 13 59.312 0.014 . 1 . . . . 34 SER CA . 7187 1 358 . 1 1 34 34 SER CB C 13 64.402 0.096 . 1 . . . . 34 SER CB . 7187 1 359 . 1 1 34 34 SER N N 15 115.513 0.036 . 1 . . . . 34 SER N . 7187 1 360 . 1 1 35 35 GLN H H 1 7.543 0.02 . 1 . . . . 35 GLN H . 7187 1 361 . 1 1 35 35 GLN HA H 1 4.505 0.024 . 1 . . . . 35 GLN HA . 7187 1 362 . 1 1 35 35 GLN HB2 H 1 2.054 0.02 . 2 . . . . 35 GLN HB2 . 7187 1 363 . 1 1 35 35 GLN HB3 H 1 2.759 0.027 . 2 . . . . 35 GLN HB3 . 7187 1 364 . 1 1 35 35 GLN HG2 H 1 2.201 0.018 . 1 . . . . 35 GLN HG2 . 7187 1 365 . 1 1 35 35 GLN HG3 H 1 1.8 0.011 . 1 . . . . 35 GLN HG3 . 7187 1 366 . 1 1 35 35 GLN HE21 H 1 6.687 0.005 . 2 . . . . 35 GLN HE21 . 7187 1 367 . 1 1 35 35 GLN HE22 H 1 6.734 0.022 . 2 . . . . 35 GLN HE22 . 7187 1 368 . 1 1 35 35 GLN C C 13 173.423 0.1 . 1 . . . . 35 GLN C . 7187 1 369 . 1 1 35 35 GLN CA C 13 54.472 0.038 . 1 . . . . 35 GLN CA . 7187 1 370 . 1 1 35 35 GLN CB C 13 28.222 0.087 . 1 . . . . 35 GLN CB . 7187 1 371 . 1 1 35 35 GLN CG C 13 32.602 0.082 . 1 . . . . 35 GLN CG . 7187 1 372 . 1 1 35 35 GLN N N 15 119.429 0.068 . 1 . . . . 35 GLN N . 7187 1 373 . 1 1 35 35 GLN NE2 N 15 115.525 0.007 . 1 . . . . 35 GLN NE2 . 7187 1 374 . 1 1 36 36 GLY H H 1 8.181 0.023 . 1 . . . . 36 GLY H . 7187 1 375 . 1 1 36 36 GLY HA2 H 1 3.746 0.02 . 1 . . . . 36 GLY HA2 . 7187 1 376 . 1 1 36 36 GLY HA3 H 1 4.166 0.012 . 1 . . . . 36 GLY HA3 . 7187 1 377 . 1 1 36 36 GLY C C 13 171.864 0.1 . 1 . . . . 36 GLY C . 7187 1 378 . 1 1 36 36 GLY CA C 13 46.421 0.046 . 1 . . . . 36 GLY CA . 7187 1 379 . 1 1 36 36 GLY N N 15 106.695 0.1 . 1 . . . . 36 GLY N . 7187 1 380 . 1 1 37 37 ILE H H 1 6.542 0.023 . 1 . . . . 37 ILE H . 7187 1 381 . 1 1 37 37 ILE HA H 1 4.279 0.01 . 1 . . . . 37 ILE HA . 7187 1 382 . 1 1 37 37 ILE HB H 1 1.79 0.006 . 1 . . . . 37 ILE HB . 7187 1 383 . 1 1 37 37 ILE HG12 H 1 1.222 0.015 . 2 . . . . 37 ILE HG12 . 7187 1 384 . 1 1 37 37 ILE HG13 H 1 1.525 0.003 . 2 . . . . 37 ILE HG13 . 7187 1 385 . 1 1 37 37 ILE HG21 H 1 0.577 0.013 . 1 . . . . 37 ILE HG2 . 7187 1 386 . 1 1 37 37 ILE HG22 H 1 0.577 0.013 . 1 . . . . 37 ILE HG2 . 7187 1 387 . 1 1 37 37 ILE HG23 H 1 0.577 0.013 . 1 . . . . 37 ILE HG2 . 7187 1 388 . 1 1 37 37 ILE HD11 H 1 0.821 0.008 . 1 . . . . 37 ILE HD1 . 7187 1 389 . 1 1 37 37 ILE HD12 H 1 0.821 0.008 . 1 . . . . 37 ILE HD1 . 7187 1 390 . 1 1 37 37 ILE HD13 H 1 0.821 0.008 . 1 . . . . 37 ILE HD1 . 7187 1 391 . 1 1 37 37 ILE C C 13 171.16 0.1 . 1 . . . . 37 ILE C . 7187 1 392 . 1 1 37 37 ILE CA C 13 59.22 0.055 . 1 . . . . 37 ILE CA . 7187 1 393 . 1 1 37 37 ILE CB C 13 39.249 0.074 . 1 . . . . 37 ILE CB . 7187 1 394 . 1 1 37 37 ILE CG1 C 13 25.358 0.128 . 1 . . . . 37 ILE CG1 . 7187 1 395 . 1 1 37 37 ILE CG2 C 13 17.924 0.092 . 1 . . . . 37 ILE CG2 . 7187 1 396 . 1 1 37 37 ILE CD1 C 13 15.495 0.561 . 1 . . . . 37 ILE CD1 . 7187 1 397 . 1 1 37 37 ILE N N 15 110.013 0.279 . 1 . . . . 37 ILE N . 7187 1 398 . 1 1 38 38 ASP H H 1 8.454 0.003 . 1 . . . . 38 ASP H . 7187 1 399 . 1 1 38 38 ASP HA H 1 4.746 0.007 . 1 . . . . 38 ASP HA . 7187 1 400 . 1 1 38 38 ASP HB2 H 1 2.645 0.031 . 1 . . . . 38 ASP HB2 . 7187 1 401 . 1 1 38 38 ASP HB3 H 1 2.645 0.031 . 1 . . . . 38 ASP HB3 . 7187 1 402 . 1 1 38 38 ASP C C 13 172.846 0.1 . 1 . . . . 38 ASP C . 7187 1 403 . 1 1 38 38 ASP CA C 13 52.944 0.029 . 1 . . . . 38 ASP CA . 7187 1 404 . 1 1 38 38 ASP CB C 13 40.361 0.054 . 1 . . . . 38 ASP CB . 7187 1 405 . 1 1 38 38 ASP N N 15 120.143 0.087 . 1 . . . . 38 ASP N . 7187 1 406 . 1 1 39 39 CYS H H 1 8.663 0.021 . 1 . . . . 39 CYS H . 7187 1 407 . 1 1 39 39 CYS HA H 1 4.527 0.018 . 1 . . . . 39 CYS HA . 7187 1 408 . 1 1 39 39 CYS HB2 H 1 3.273 0.016 . 2 . . . . 39 CYS HB2 . 7187 1 409 . 1 1 39 39 CYS HB3 H 1 3.579 0.018 . 2 . . . . 39 CYS HB3 . 7187 1 410 . 1 1 39 39 CYS C C 13 171.123 0.1 . 1 . . . . 39 CYS C . 7187 1 411 . 1 1 39 39 CYS CA C 13 55.265 0.084 . 1 . . . . 39 CYS CA . 7187 1 412 . 1 1 39 39 CYS CB C 13 41.665 0.029 . 1 . . . . 39 CYS CB . 7187 1 413 . 1 1 39 39 CYS N N 15 121.898 0.136 . 1 . . . . 39 CYS N . 7187 1 414 . 1 1 40 40 GLY H H 1 9.019 0.048 . 1 . . . . 40 GLY H . 7187 1 415 . 1 1 40 40 GLY HA2 H 1 3.831 0.009 . 1 . . . . 40 GLY HA2 . 7187 1 416 . 1 1 40 40 GLY HA3 H 1 4.111 0.008 . 1 . . . . 40 GLY HA3 . 7187 1 417 . 1 1 40 40 GLY CA C 13 48.514 0.081 . 1 . . . . 40 GLY CA . 7187 1 418 . 1 1 40 40 GLY N N 15 111.711 0.111 . 1 . . . . 40 GLY N . 7187 1 419 . 1 1 41 41 PRO HA H 1 4.322 0.009 . 1 . . . . 41 PRO HA . 7187 1 420 . 1 1 41 41 PRO HB2 H 1 0.97 0.01 . 1 . . . . 41 PRO HB2 . 7187 1 421 . 1 1 41 41 PRO HB3 H 1 1.973 0.016 . 1 . . . . 41 PRO HB3 . 7187 1 422 . 1 1 41 41 PRO HG2 H 1 2.323 0.007 . 1 . . . . 41 PRO HG2 . 7187 1 423 . 1 1 41 41 PRO HG3 H 1 1.909 0.002 . 1 . . . . 41 PRO HG3 . 7187 1 424 . 1 1 41 41 PRO HD2 H 1 3.307 0.011 . 1 . . . . 41 PRO HD2 . 7187 1 425 . 1 1 41 41 PRO HD3 H 1 3.569 0.008 . 1 . . . . 41 PRO HD3 . 7187 1 426 . 1 1 41 41 PRO C C 13 173.807 0.1 . 1 . . . . 41 PRO C . 7187 1 427 . 1 1 41 41 PRO CA C 13 65.552 0.061 . 1 . . . . 41 PRO CA . 7187 1 428 . 1 1 41 41 PRO CB C 13 33.293 0.083 . 1 . . . . 41 PRO CB . 7187 1 429 . 1 1 41 41 PRO CG C 13 28.071 0.065 . 1 . . . . 41 PRO CG . 7187 1 430 . 1 1 41 41 PRO CD C 13 52.32 0.068 . 1 . . . . 41 PRO CD . 7187 1 431 . 1 1 42 42 ILE H H 1 6.969 0.015 . 1 . . . . 42 ILE H . 7187 1 432 . 1 1 42 42 ILE HA H 1 3.924 0.01 . 1 . . . . 42 ILE HA . 7187 1 433 . 1 1 42 42 ILE HB H 1 1.356 0.009 . 1 . . . . 42 ILE HB . 7187 1 434 . 1 1 42 42 ILE HG12 H 1 1.116 0.024 . 1 . . . . 42 ILE HG12 . 7187 1 435 . 1 1 42 42 ILE HG13 H 1 1.332 0.016 . 1 . . . . 42 ILE HG13 . 7187 1 436 . 1 1 42 42 ILE HG21 H 1 0.842 0.016 . 1 . . . . 42 ILE HD2 . 7187 1 437 . 1 1 42 42 ILE HG22 H 1 0.842 0.016 . 1 . . . . 42 ILE HD2 . 7187 1 438 . 1 1 42 42 ILE HG23 H 1 0.842 0.016 . 1 . . . . 42 ILE HD2 . 7187 1 439 . 1 1 42 42 ILE HD11 H 1 0.994 0.027 . 1 . . . . 42 ILE HD1 . 7187 1 440 . 1 1 42 42 ILE HD12 H 1 0.994 0.027 . 1 . . . . 42 ILE HD1 . 7187 1 441 . 1 1 42 42 ILE HD13 H 1 0.994 0.027 . 1 . . . . 42 ILE HD1 . 7187 1 442 . 1 1 42 42 ILE C C 13 171.929 0.1 . 1 . . . . 42 ILE C . 7187 1 443 . 1 1 42 42 ILE CA C 13 60.667 0.06 . 1 . . . . 42 ILE CA . 7187 1 444 . 1 1 42 42 ILE CB C 13 37.591 0.085 . 1 . . . . 42 ILE CB . 7187 1 445 . 1 1 42 42 ILE CG1 C 13 27.491 0.103 . 1 . . . . 42 ILE CG1 . 7187 1 446 . 1 1 42 42 ILE CG2 C 13 19.217 0.048 . 1 . . . . 42 ILE CG2 . 7187 1 447 . 1 1 42 42 ILE CD1 C 13 16.5 0.044 . 1 . . . . 42 ILE CD1 . 7187 1 448 . 1 1 42 42 ILE N N 15 103.902 0.271 . 1 . . . . 42 ILE N . 7187 1 449 . 1 1 43 43 GLN H H 1 7.526 0.01 . 1 . . . . 43 GLN H . 7187 1 450 . 1 1 43 43 GLN HA H 1 4.551 0.013 . 1 . . . . 43 GLN HA . 7187 1 451 . 1 1 43 43 GLN HB2 H 1 1.863 0.005 . 2 . . . . 43 GLN HB2 . 7187 1 452 . 1 1 43 43 GLN HB3 H 1 2.15 0.009 . 2 . . . . 43 GLN HB3 . 7187 1 453 . 1 1 43 43 GLN HG2 H 1 2.522 0.01 . 1 . . . . 43 GLN HG2 . 7187 1 454 . 1 1 43 43 GLN HG3 H 1 2.522 0.01 . 1 . . . . 43 GLN HG3 . 7187 1 455 . 1 1 43 43 GLN HE21 H 1 6.926 0.01 . 2 . . . . 43 GLN HE21 . 7187 1 456 . 1 1 43 43 GLN HE22 H 1 7.059 0.01 . 2 . . . . 43 GLN HE22 . 7187 1 457 . 1 1 43 43 GLN CA C 13 53.332 0.047 . 1 . . . . 43 GLN CA . 7187 1 458 . 1 1 43 43 GLN CB C 13 26.528 0.08 . 1 . . . . 43 GLN CB . 7187 1 459 . 1 1 43 43 GLN CG C 13 33.327 0.038 . 1 . . . . 43 GLN CG . 7187 1 460 . 1 1 43 43 GLN N N 15 121.2 0.07 . 1 . . . . 43 GLN N . 7187 1 461 . 1 1 43 43 GLN NE2 N 15 111.0 0.1 . 1 . . . . 43 GLN NE2 . 7187 1 462 . 1 1 44 44 PRO HA H 1 2.306 0.021 . 1 . . . . 44 PRO HA . 7187 1 463 . 1 1 44 44 PRO HB2 H 1 1.52 0.011 . 2 . . . . 44 PRO HB2 . 7187 1 464 . 1 1 44 44 PRO HB3 H 1 1.718 0.008 . 2 . . . . 44 PRO HB3 . 7187 1 465 . 1 1 44 44 PRO HG2 H 1 1.998 0.001 . 1 . . . . 44 PRO HG2 . 7187 1 466 . 1 1 44 44 PRO HG3 H 1 1.617 0.005 . 1 . . . . 44 PRO HG3 . 7187 1 467 . 1 1 44 44 PRO HD2 H 1 3.511 0.012 . 1 . . . . 44 PRO HD2 . 7187 1 468 . 1 1 44 44 PRO HD3 H 1 3.69 0.016 . 1 . . . . 44 PRO HD3 . 7187 1 469 . 1 1 44 44 PRO C C 13 174.448 0.1 . 1 . . . . 44 PRO C . 7187 1 470 . 1 1 44 44 PRO CA C 13 64.445 0.064 . 1 . . . . 44 PRO CA . 7187 1 471 . 1 1 44 44 PRO CB C 13 30.831 0.057 . 1 . . . . 44 PRO CB . 7187 1 472 . 1 1 44 44 PRO CG C 13 27.62 0.079 . 1 . . . . 44 PRO CG . 7187 1 473 . 1 1 44 44 PRO CD C 13 49.615 0.104 . 1 . . . . 44 PRO CD . 7187 1 474 . 1 1 45 45 GLY H H 1 7.694 0.03 . 1 . . . . 45 GLY H . 7187 1 475 . 1 1 45 45 GLY HA2 H 1 3.571 0.019 . 2 . . . . 45 GLY HA2 . 7187 1 476 . 1 1 45 45 GLY HA3 H 1 4.191 0.018 . 2 . . . . 45 GLY HA3 . 7187 1 477 . 1 1 45 45 GLY C C 13 172.333 0.1 . 1 . . . . 45 GLY C . 7187 1 478 . 1 1 45 45 GLY CA C 13 45.074 0.228 . 1 . . . . 45 GLY CA . 7187 1 479 . 1 1 45 45 GLY N N 15 113.854 0.054 . 1 . . . . 45 GLY N . 7187 1 480 . 1 1 46 46 GLY H H 1 8.852 0.009 . 1 . . . . 46 GLY H . 7187 1 481 . 1 1 46 46 GLY HA2 H 1 3.883 0.019 . 2 . . . . 46 GLY HA2 . 7187 1 482 . 1 1 46 46 GLY HA3 H 1 4.124 0.019 . 2 . . . . 46 GLY HA3 . 7187 1 483 . 1 1 46 46 GLY C C 13 173.277 0.1 . 1 . . . . 46 GLY C . 7187 1 484 . 1 1 46 46 GLY CA C 13 44.481 0.076 . 1 . . . . 46 GLY CA . 7187 1 485 . 1 1 46 46 GLY N N 15 109.611 0.158 . 1 . . . . 46 GLY N . 7187 1 486 . 1 1 47 47 ALA H H 1 9.101 0.013 . 1 . . . . 47 ALA H . 7187 1 487 . 1 1 47 47 ALA HA H 1 4.189 0.011 . 1 . . . . 47 ALA HA . 7187 1 488 . 1 1 47 47 ALA HB1 H 1 1.441 0.021 . 1 . . . . 47 ALA HB . 7187 1 489 . 1 1 47 47 ALA HB2 H 1 1.441 0.021 . 1 . . . . 47 ALA HB . 7187 1 490 . 1 1 47 47 ALA HB3 H 1 1.441 0.021 . 1 . . . . 47 ALA HB . 7187 1 491 . 1 1 47 47 ALA C C 13 175.179 0.1 . 1 . . . . 47 ALA C . 7187 1 492 . 1 1 47 47 ALA CA C 13 54.884 0.062 . 1 . . . . 47 ALA CA . 7187 1 493 . 1 1 47 47 ALA CB C 13 19.412 0.037 . 1 . . . . 47 ALA CB . 7187 1 494 . 1 1 47 47 ALA N N 15 123.427 0.127 . 1 . . . . 47 ALA N . 7187 1 495 . 1 1 48 48 CYS H H 1 8.2 0.01 . 1 . . . . 48 CYS H . 7187 1 496 . 1 1 48 48 CYS HA H 1 4.803 0.003 . 1 . . . . 48 CYS HA . 7187 1 497 . 1 1 48 48 CYS HB2 H 1 1.796 0.016 . 2 . . . . 48 CYS HB2 . 7187 1 498 . 1 1 48 48 CYS HB3 H 1 3.04 0.01 . 2 . . . . 48 CYS HB3 . 7187 1 499 . 1 1 48 48 CYS C C 13 171.981 0.1 . 1 . . . . 48 CYS C . 7187 1 500 . 1 1 48 48 CYS CA C 13 53.873 0.035 . 1 . . . . 48 CYS CA . 7187 1 501 . 1 1 48 48 CYS CB C 13 45.936 0.035 . 1 . . . . 48 CYS CB . 7187 1 502 . 1 1 48 48 CYS N N 15 112.508 0.111 . 1 . . . . 48 CYS N . 7187 1 503 . 1 1 49 49 PHE H H 1 7.491 0.023 . 1 . . . . 49 PHE H . 7187 1 504 . 1 1 49 49 PHE HA H 1 3.883 0.014 . 1 . . . . 49 PHE HA . 7187 1 505 . 1 1 49 49 PHE HB2 H 1 2.883 0.022 . 1 . . . . 49 PHE HB2 . 7187 1 506 . 1 1 49 49 PHE HB3 H 1 3.277 0.026 . 1 . . . . 49 PHE HB3 . 7187 1 507 . 1 1 49 49 PHE HD1 H 1 7.189 0.001 . 1 . . . . 49 PHE HD1 . 7187 1 508 . 1 1 49 49 PHE HD2 H 1 7.189 0.001 . 1 . . . . 49 PHE HD2 . 7187 1 509 . 1 1 49 49 PHE HE1 H 1 7.369 0.003 . 1 . . . . 49 PHE HE1 . 7187 1 510 . 1 1 49 49 PHE HE2 H 1 7.369 0.003 . 1 . . . . 49 PHE HE2 . 7187 1 511 . 1 1 49 49 PHE C C 13 174.804 0.1 . 1 . . . . 49 PHE C . 7187 1 512 . 1 1 49 49 PHE CA C 13 61.386 0.07 . 1 . . . . 49 PHE CA . 7187 1 513 . 1 1 49 49 PHE CB C 13 38.982 0.051 . 1 . . . . 49 PHE CB . 7187 1 514 . 1 1 49 49 PHE CD1 C 13 129.612 0.1 . 1 . . . . 49 PHE CD1 . 7187 1 515 . 1 1 49 49 PHE CE1 C 13 127.87 0.1 . 1 . . . . 49 PHE CE . 7187 1 516 . 1 1 49 49 PHE CE2 C 13 127.87 0.1 . 1 . . . . 49 PHE CE . 7187 1 517 . 1 1 49 49 PHE N N 15 122.136 0.135 . 1 . . . . 49 PHE N . 7187 1 518 . 1 1 50 50 GLU H H 1 8.169 0.027 . 1 . . . . 50 GLU H . 7187 1 519 . 1 1 50 50 GLU HA H 1 4.487 0.017 . 1 . . . . 50 GLU HA . 7187 1 520 . 1 1 50 50 GLU HB2 H 1 1.913 0.011 . 1 . . . . 50 GLU HB2 . 7187 1 521 . 1 1 50 50 GLU HB3 H 1 1.986 0.007 . 1 . . . . 50 GLU HB3 . 7187 1 522 . 1 1 50 50 GLU HG2 H 1 2.289 0.008 . 1 . . . . 50 GLU HG2 . 7187 1 523 . 1 1 50 50 GLU HG3 H 1 2.48 0.015 . 1 . . . . 50 GLU HG3 . 7187 1 524 . 1 1 50 50 GLU CA C 13 52.86 0.044 . 1 . . . . 50 GLU CA . 7187 1 525 . 1 1 50 50 GLU CB C 13 29.769 0.122 . 1 . . . . 50 GLU CB . 7187 1 526 . 1 1 50 50 GLU CG C 13 35.648 0.075 . 1 . . . . 50 GLU CG . 7187 1 527 . 1 1 50 50 GLU N N 15 115.761 0.074 . 1 . . . . 50 GLU N . 7187 1 528 . 1 1 51 51 PRO HA H 1 4.573 0.017 . 1 . . . . 51 PRO HA . 7187 1 529 . 1 1 51 51 PRO HB2 H 1 1.859 0.009 . 1 . . . . 51 PRO HB2 . 7187 1 530 . 1 1 51 51 PRO HB3 H 1 2.273 0.015 . 1 . . . . 51 PRO HB3 . 7187 1 531 . 1 1 51 51 PRO HG2 H 1 1.699 0.007 . 2 . . . . 51 PRO HG2 . 7187 1 532 . 1 1 51 51 PRO HG3 H 1 1.816 0.014 . 2 . . . . 51 PRO HG3 . 7187 1 533 . 1 1 51 51 PRO HD2 H 1 3.436 0.007 . 2 . . . . 51 PRO HD2 . 7187 1 534 . 1 1 51 51 PRO HD3 H 1 3.539 0.009 . 2 . . . . 51 PRO HD3 . 7187 1 535 . 1 1 51 51 PRO C C 13 173.293 0.1 . 1 . . . . 51 PRO C . 7187 1 536 . 1 1 51 51 PRO CA C 13 62.378 0.063 . 1 . . . . 51 PRO CA . 7187 1 537 . 1 1 51 51 PRO CB C 13 33.837 0.072 . 1 . . . . 51 PRO CB . 7187 1 538 . 1 1 51 51 PRO CG C 13 25.274 0.126 . 1 . . . . 51 PRO CG . 7187 1 539 . 1 1 51 51 PRO CD C 13 50.525 0.076 . 1 . . . . 51 PRO CD . 7187 1 540 . 1 1 52 52 ASN H H 1 8.452 0.007 . 1 . . . . 52 ASN H . 7187 1 541 . 1 1 52 52 ASN HA H 1 4.395 0.009 . 1 . . . . 52 ASN HA . 7187 1 542 . 1 1 52 52 ASN HB2 H 1 1.638 0.01 . 2 . . . . 52 ASN HB2 . 7187 1 543 . 1 1 52 52 ASN HB3 H 1 2.64 0.012 . 2 . . . . 52 ASN HB3 . 7187 1 544 . 1 1 52 52 ASN HD21 H 1 6.748 0.001 . 2 . . . . 52 ASN HD21 . 7187 1 545 . 1 1 52 52 ASN HD22 H 1 7.626 0.001 . 2 . . . . 52 ASN HD22 . 7187 1 546 . 1 1 52 52 ASN C C 13 171.819 0.1 . 1 . . . . 52 ASN C . 7187 1 547 . 1 1 52 52 ASN CA C 13 51.833 0.045 . 1 . . . . 52 ASN CA . 7187 1 548 . 1 1 52 52 ASN CB C 13 36.047 0.035 . 1 . . . . 52 ASN CB . 7187 1 549 . 1 1 52 52 ASN N N 15 123.672 0.115 . 1 . . . . 52 ASN N . 7187 1 550 . 1 1 52 52 ASN ND2 N 15 110.442 0.023 . 1 . . . . 52 ASN ND2 . 7187 1 551 . 1 1 53 53 THR H H 1 7.444 0.012 . 1 . . . . 53 THR H . 7187 1 552 . 1 1 53 53 THR HA H 1 4.463 0.014 . 1 . . . . 53 THR HA . 7187 1 553 . 1 1 53 53 THR HB H 1 4.344 0.008 . 1 . . . . 53 THR HB . 7187 1 554 . 1 1 53 53 THR HG21 H 1 1.014 0.006 . 1 . . . . 53 THR HG2 . 7187 1 555 . 1 1 53 53 THR HG22 H 1 1.014 0.006 . 1 . . . . 53 THR HG2 . 7187 1 556 . 1 1 53 53 THR HG23 H 1 1.014 0.006 . 1 . . . . 53 THR HG2 . 7187 1 557 . 1 1 53 53 THR C C 13 171.052 0.1 . 1 . . . . 53 THR C . 7187 1 558 . 1 1 53 53 THR CA C 13 57.915 0.041 . 1 . . . . 53 THR CA . 7187 1 559 . 1 1 53 53 THR CB C 13 71.537 0.081 . 1 . . . . 53 THR CB . 7187 1 560 . 1 1 53 53 THR CG2 C 13 21.654 0.061 . 1 . . . . 53 THR CG2 . 7187 1 561 . 1 1 53 53 THR N N 15 113.721 0.041 . 1 . . . . 53 THR N . 7187 1 562 . 1 1 54 54 VAL H H 1 8.47 0.013 . 1 . . . . 54 VAL H . 7187 1 563 . 1 1 54 54 VAL HA H 1 3.681 0.01 . 1 . . . . 54 VAL HA . 7187 1 564 . 1 1 54 54 VAL HB H 1 1.962 0.008 . 1 . . . . 54 VAL HB . 7187 1 565 . 1 1 54 54 VAL HG11 H 1 1.033 0.009 . 1 . . . . 54 VAL HG1 . 7187 1 566 . 1 1 54 54 VAL HG12 H 1 1.033 0.009 . 1 . . . . 54 VAL HG1 . 7187 1 567 . 1 1 54 54 VAL HG13 H 1 1.033 0.009 . 1 . . . . 54 VAL HG1 . 7187 1 568 . 1 1 54 54 VAL HG21 H 1 1.033 0.009 . 1 . . . . 54 VAL HG2 . 7187 1 569 . 1 1 54 54 VAL HG22 H 1 1.033 0.009 . 1 . . . . 54 VAL HG2 . 7187 1 570 . 1 1 54 54 VAL HG23 H 1 1.033 0.009 . 1 . . . . 54 VAL HG2 . 7187 1 571 . 1 1 54 54 VAL C C 13 175.507 0.1 . 1 . . . . 54 VAL C . 7187 1 572 . 1 1 54 54 VAL CA C 13 66.285 0.048 . 1 . . . . 54 VAL CA . 7187 1 573 . 1 1 54 54 VAL CB C 13 31.316 0.069 . 1 . . . . 54 VAL CB . 7187 1 574 . 1 1 54 54 VAL CG1 C 13 22.629 0.055 . 1 . . . . 54 VAL CG1 . 7187 1 575 . 1 1 54 54 VAL N N 15 122.312 0.063 . 1 . . . . 54 VAL N . 7187 1 576 . 1 1 55 55 LYS H H 1 8.384 0.048 . 1 . . . . 55 LYS H . 7187 1 577 . 1 1 55 55 LYS HA H 1 3.92 0.012 . 1 . . . . 55 LYS HA . 7187 1 578 . 1 1 55 55 LYS HB2 H 1 1.81 0.01 . 1 . . . . 55 LYS HB2 . 7187 1 579 . 1 1 55 55 LYS HB3 H 1 1.696 0.006 . 1 . . . . 55 LYS HB3 . 7187 1 580 . 1 1 55 55 LYS HG2 H 1 1.417 0.007 . 1 . . . . 55 LYS HG2 . 7187 1 581 . 1 1 55 55 LYS HG3 H 1 1.417 0.007 . 1 . . . . 55 LYS HG3 . 7187 1 582 . 1 1 55 55 LYS HD2 H 1 1.685 0.015 . 1 . . . . 55 LYS HD2 . 7187 1 583 . 1 1 55 55 LYS HD3 H 1 1.685 0.015 . 1 . . . . 55 LYS HD3 . 7187 1 584 . 1 1 55 55 LYS HE2 H 1 2.997 0.007 . 1 . . . . 55 LYS HE2 . 7187 1 585 . 1 1 55 55 LYS HE3 H 1 2.997 0.007 . 1 . . . . 55 LYS HE3 . 7187 1 586 . 1 1 55 55 LYS C C 13 175.466 0.1 . 1 . . . . 55 LYS C . 7187 1 587 . 1 1 55 55 LYS CA C 13 60.669 0.061 . 1 . . . . 55 LYS CA . 7187 1 588 . 1 1 55 55 LYS CB C 13 32.473 0.115 . 1 . . . . 55 LYS CB . 7187 1 589 . 1 1 55 55 LYS CG C 13 25.009 0.076 . 1 . . . . 55 LYS CG . 7187 1 590 . 1 1 55 55 LYS CD C 13 29.511 0.074 . 1 . . . . 55 LYS CD . 7187 1 591 . 1 1 55 55 LYS CE C 13 42.112 0.051 . 1 . . . . 55 LYS CE . 7187 1 592 . 1 1 55 55 LYS N N 15 118.373 0.048 . 1 . . . . 55 LYS N . 7187 1 593 . 1 1 56 56 ALA H H 1 7.774 0.025 . 1 . . . . 56 ALA H . 7187 1 594 . 1 1 56 56 ALA HA H 1 4.282 0.015 . 1 . . . . 56 ALA HA . 7187 1 595 . 1 1 56 56 ALA HB1 H 1 1.487 0.022 . 1 . . . . 56 ALA HB . 7187 1 596 . 1 1 56 56 ALA HB2 H 1 1.487 0.022 . 1 . . . . 56 ALA HB . 7187 1 597 . 1 1 56 56 ALA HB3 H 1 1.487 0.022 . 1 . . . . 56 ALA HB . 7187 1 598 . 1 1 56 56 ALA C C 13 178.596 0.1 . 1 . . . . 56 ALA C . 7187 1 599 . 1 1 56 56 ALA CA C 13 55.363 0.127 . 1 . . . . 56 ALA CA . 7187 1 600 . 1 1 56 56 ALA CB C 13 18.558 0.05 . 1 . . . . 56 ALA CB . 7187 1 601 . 1 1 56 56 ALA N N 15 122.396 0.194 . 1 . . . . 56 ALA N . 7187 1 602 . 1 1 57 57 HIS H H 1 8.126 0.02 . 1 . . . . 57 HIS H . 7187 1 603 . 1 1 57 57 HIS HA H 1 4.667 0.013 . 1 . . . . 57 HIS HA . 7187 1 604 . 1 1 57 57 HIS HB2 H 1 3.189 0.034 . 2 . . . . 57 HIS HB2 . 7187 1 605 . 1 1 57 57 HIS HB3 H 1 3.453 0.021 . 2 . . . . 57 HIS HB3 . 7187 1 606 . 1 1 57 57 HIS HD2 H 1 7.745 0.001 . 1 . . . . 57 HIS HD2 . 7187 1 607 . 1 1 57 57 HIS HE1 H 1 8.524 0.001 . 1 . . . . 57 HIS HE1 . 7187 1 608 . 1 1 57 57 HIS C C 13 174.427 0.1 . 1 . . . . 57 HIS C . 7187 1 609 . 1 1 57 57 HIS CA C 13 56.876 0.048 . 1 . . . . 57 HIS CA . 7187 1 610 . 1 1 57 57 HIS CB C 13 28.866 0.064 . 1 . . . . 57 HIS CB . 7187 1 611 . 1 1 57 57 HIS CD2 C 13 115.692 0.1 . 1 . . . . 57 HIS CD2 . 7187 1 612 . 1 1 57 57 HIS CE1 C 13 134.192 0.1 . 1 . . . . 57 HIS CE . 7187 1 613 . 1 1 57 57 HIS N N 15 116.945 0.08 . 1 . . . . 57 HIS N . 7187 1 614 . 1 1 58 58 ALA H H 1 9.377 0.021 . 1 . . . . 58 ALA H . 7187 1 615 . 1 1 58 58 ALA HA H 1 4.033 0.012 . 1 . . . . 58 ALA HA . 7187 1 616 . 1 1 58 58 ALA HB1 H 1 1.548 0.016 . 1 . . . . 58 ALA HB . 7187 1 617 . 1 1 58 58 ALA HB2 H 1 1.548 0.016 . 1 . . . . 58 ALA HB . 7187 1 618 . 1 1 58 58 ALA HB3 H 1 1.548 0.016 . 1 . . . . 58 ALA HB . 7187 1 619 . 1 1 58 58 ALA C C 13 176.062 0.1 . 1 . . . . 58 ALA C . 7187 1 620 . 1 1 58 58 ALA CA C 13 55.054 0.049 . 1 . . . . 58 ALA CA . 7187 1 621 . 1 1 58 58 ALA CB C 13 19.152 0.17 . 1 . . . . 58 ALA CB . 7187 1 622 . 1 1 58 58 ALA N N 15 120.397 0.06 . 1 . . . . 58 ALA N . 7187 1 623 . 1 1 59 59 ALA H H 1 8.227 0.015 . 1 . . . . 59 ALA H . 7187 1 624 . 1 1 59 59 ALA HA H 1 4.217 0.015 . 1 . . . . 59 ALA HA . 7187 1 625 . 1 1 59 59 ALA HB1 H 1 1.891 0.02 . 1 . . . . 59 ALA HB . 7187 1 626 . 1 1 59 59 ALA HB2 H 1 1.891 0.02 . 1 . . . . 59 ALA HB . 7187 1 627 . 1 1 59 59 ALA HB3 H 1 1.891 0.02 . 1 . . . . 59 ALA HB . 7187 1 628 . 1 1 59 59 ALA C C 13 175.414 0.1 . 1 . . . . 59 ALA C . 7187 1 629 . 1 1 59 59 ALA CA C 13 56.667 0.027 . 1 . . . . 59 ALA CA . 7187 1 630 . 1 1 59 59 ALA CB C 13 17.916 0.028 . 1 . . . . 59 ALA CB . 7187 1 631 . 1 1 59 59 ALA N N 15 119.166 0.118 . 1 . . . . 59 ALA N . 7187 1 632 . 1 1 60 60 TYR H H 1 7.508 0.008 . 1 . . . . 60 TYR H . 7187 1 633 . 1 1 60 60 TYR HA H 1 3.624 0.011 . 1 . . . . 60 TYR HA . 7187 1 634 . 1 1 60 60 TYR HB2 H 1 2.969 0.007 . 1 . . . . 60 TYR HB2 . 7187 1 635 . 1 1 60 60 TYR HB3 H 1 2.854 0.018 . 1 . . . . 60 TYR HB3 . 7187 1 636 . 1 1 60 60 TYR HD1 H 1 7.31 0.001 . 1 . . . . 60 TYR HD1 . 7187 1 637 . 1 1 60 60 TYR HD2 H 1 7.31 0.001 . 1 . . . . 60 TYR HD2 . 7187 1 638 . 1 1 60 60 TYR HE1 H 1 6.642 0.002 . 1 . . . . 60 TYR HE1 . 7187 1 639 . 1 1 60 60 TYR HE2 H 1 6.642 0.002 . 1 . . . . 60 TYR HE2 . 7187 1 640 . 1 1 60 60 TYR C C 13 176.985 0.1 . 1 . . . . 60 TYR C . 7187 1 641 . 1 1 60 60 TYR CA C 13 62.598 0.037 . 1 . . . . 60 TYR CA . 7187 1 642 . 1 1 60 60 TYR CB C 13 37.697 0.08 . 1 . . . . 60 TYR CB . 7187 1 643 . 1 1 60 60 TYR CD1 C 13 129.84 0.1 . 1 . . . . 60 TYR CD1 . 7187 1 644 . 1 1 60 60 TYR CE1 C 13 115.488 0.1 . 1 . . . . 60 TYR CE1 . 7187 1 645 . 1 1 60 60 TYR N N 15 113.686 0.054 . 1 . . . . 60 TYR N . 7187 1 646 . 1 1 61 61 VAL H H 1 7.973 0.014 . 1 . . . . 61 VAL H . 7187 1 647 . 1 1 61 61 VAL HA H 1 3.94 0.009 . 1 . . . . 61 VAL HA . 7187 1 648 . 1 1 61 61 VAL HB H 1 2.322 0.011 . 1 . . . . 61 VAL HB . 7187 1 649 . 1 1 61 61 VAL HG11 H 1 1.33 0.007 . 2 . . . . 61 VAL HG1 . 7187 1 650 . 1 1 61 61 VAL HG12 H 1 1.33 0.007 . 2 . . . . 61 VAL HG1 . 7187 1 651 . 1 1 61 61 VAL HG13 H 1 1.33 0.007 . 2 . . . . 61 VAL HG1 . 7187 1 652 . 1 1 61 61 VAL HG21 H 1 1.313 0.013 . 2 . . . . 61 VAL HG2 . 7187 1 653 . 1 1 61 61 VAL HG22 H 1 1.313 0.013 . 2 . . . . 61 VAL HG2 . 7187 1 654 . 1 1 61 61 VAL HG23 H 1 1.313 0.013 . 2 . . . . 61 VAL HG2 . 7187 1 655 . 1 1 61 61 VAL C C 13 174.806 0.1 . 1 . . . . 61 VAL C . 7187 1 656 . 1 1 61 61 VAL CA C 13 65.413 0.06 . 1 . . . . 61 VAL CA . 7187 1 657 . 1 1 61 61 VAL CB C 13 31.464 0.175 . 1 . . . . 61 VAL CB . 7187 1 658 . 1 1 61 61 VAL CG1 C 13 21.743 0.057 . 2 . . . . 61 VAL CG1 . 7187 1 659 . 1 1 61 61 VAL CG2 C 13 24.977 0.027 . 2 . . . . 61 VAL CG2 . 7187 1 660 . 1 1 61 61 VAL N N 15 113.943 0.081 . 1 . . . . 61 VAL N . 7187 1 661 . 1 1 62 62 MET H H 1 9.176 0.012 . 1 . . . . 62 MET H . 7187 1 662 . 1 1 62 62 MET HA H 1 3.904 0.013 . 1 . . . . 62 MET HA . 7187 1 663 . 1 1 62 62 MET HB2 H 1 1.652 0.012 . 2 . . . . 62 MET HB2 . 7187 1 664 . 1 1 62 62 MET HB3 H 1 1.936 0.007 . 2 . . . . 62 MET HB3 . 7187 1 665 . 1 1 62 62 MET HG2 H 1 0.743 0.013 . 2 . . . . 62 MET HG2 . 7187 1 666 . 1 1 62 62 MET HG3 H 1 2.245 0.015 . 2 . . . . 62 MET HG3 . 7187 1 667 . 1 1 62 62 MET C C 13 175.345 0.1 . 1 . . . . 62 MET C . 7187 1 668 . 1 1 62 62 MET CA C 13 59.655 0.086 . 1 . . . . 62 MET CA . 7187 1 669 . 1 1 62 62 MET CB C 13 32.963 0.072 . 1 . . . . 62 MET CB . 7187 1 670 . 1 1 62 62 MET CG C 13 31.557 0.07 . 1 . . . . 62 MET CG . 7187 1 671 . 1 1 62 62 MET N N 15 122.131 0.112 . 1 . . . . 62 MET N . 7187 1 672 . 1 1 63 63 ASN H H 1 7.913 0.019 . 1 . . . . 63 ASN H . 7187 1 673 . 1 1 63 63 ASN HA H 1 4.825 0.01 . 1 . . . . 63 ASN HA . 7187 1 674 . 1 1 63 63 ASN HB2 H 1 2.973 0.023 . 1 . . . . 63 ASN HB2 . 7187 1 675 . 1 1 63 63 ASN HB3 H 1 3.818 0.013 . 1 . . . . 63 ASN HB3 . 7187 1 676 . 1 1 63 63 ASN HD22 H 1 7.502 0.01 . 2 . . . . 63 ASN HD22 . 7187 1 677 . 1 1 63 63 ASN HD21 H 1 7.901 0.01 . 2 . . . . 63 ASN HD21 . 7187 1 678 . 1 1 63 63 ASN C C 13 174.27 0.1 . 1 . . . . 63 ASN C . 7187 1 679 . 1 1 63 63 ASN CA C 13 59.714 0.078 . 1 . . . . 63 ASN CA . 7187 1 680 . 1 1 63 63 ASN CB C 13 39.598 0.073 . 1 . . . . 63 ASN CB . 7187 1 681 . 1 1 63 63 ASN N N 15 116.601 0.03 . 1 . . . . 63 ASN N . 7187 1 682 . 1 1 63 63 ASN ND2 N 15 112.8 0.1 . 1 . . . . 63 ASN ND2 . 7187 1 683 . 1 1 64 64 LEU H H 1 8.049 0.004 . 1 . . . . 64 LEU H . 7187 1 684 . 1 1 64 64 LEU HA H 1 3.899 0.011 . 1 . . . . 64 LEU HA . 7187 1 685 . 1 1 64 64 LEU HB2 H 1 1.481 0.005 . 2 . . . . 64 LEU HB2 . 7187 1 686 . 1 1 64 64 LEU HB3 H 1 1.642 0.01 . 2 . . . . 64 LEU HB3 . 7187 1 687 . 1 1 64 64 LEU HG H 1 1.468 0.002 . 1 . . . . 64 LEU HG . 7187 1 688 . 1 1 64 64 LEU HD11 H 1 0.933 0.009 . 2 . . . . 64 LEU HD1 . 7187 1 689 . 1 1 64 64 LEU HD12 H 1 0.933 0.009 . 2 . . . . 64 LEU HD1 . 7187 1 690 . 1 1 64 64 LEU HD13 H 1 0.933 0.009 . 2 . . . . 64 LEU HD1 . 7187 1 691 . 1 1 64 64 LEU HD21 H 1 0.918 0.003 . 2 . . . . 64 LEU HD2 . 7187 1 692 . 1 1 64 64 LEU HD22 H 1 0.918 0.003 . 2 . . . . 64 LEU HD2 . 7187 1 693 . 1 1 64 64 LEU HD23 H 1 0.918 0.003 . 2 . . . . 64 LEU HD2 . 7187 1 694 . 1 1 64 64 LEU C C 13 176.302 0.1 . 1 . . . . 64 LEU C . 7187 1 695 . 1 1 64 64 LEU CA C 13 58.304 0.074 . 1 . . . . 64 LEU CA . 7187 1 696 . 1 1 64 64 LEU CB C 13 42.334 0.074 . 1 . . . . 64 LEU CB . 7187 1 697 . 1 1 64 64 LEU CG C 13 26.186 0.14 . 1 . . . . 64 LEU CG . 7187 1 698 . 1 1 64 64 LEU CD1 C 13 24.456 0.059 . 2 . . . . 64 LEU CD1 . 7187 1 699 . 1 1 64 64 LEU CD2 C 13 26.385 0.043 . 2 . . . . 64 LEU CD2 . 7187 1 700 . 1 1 64 64 LEU N N 15 120.002 0.077 . 1 . . . . 64 LEU N . 7187 1 701 . 1 1 65 65 TYR H H 1 8.589 0.01 . 1 . . . . 65 TYR H . 7187 1 702 . 1 1 65 65 TYR HA H 1 4.038 0.018 . 1 . . . . 65 TYR HA . 7187 1 703 . 1 1 65 65 TYR HB2 H 1 3.287 0.009 . 2 . . . . 65 TYR HB2 . 7187 1 704 . 1 1 65 65 TYR HB3 H 1 3.626 0.008 . 2 . . . . 65 TYR HB3 . 7187 1 705 . 1 1 65 65 TYR HD1 H 1 7.312 0.001 . 1 . . . . 65 TYR HD1 . 7187 1 706 . 1 1 65 65 TYR HD2 H 1 7.312 0.001 . 1 . . . . 65 TYR HD2 . 7187 1 707 . 1 1 65 65 TYR HE1 H 1 6.973 0.008 . 1 . . . . 65 TYR HE1 . 7187 1 708 . 1 1 65 65 TYR HE2 H 1 6.973 0.008 . 1 . . . . 65 TYR HE2 . 7187 1 709 . 1 1 65 65 TYR C C 13 172.93 0.1 . 1 . . . . 65 TYR C . 7187 1 710 . 1 1 65 65 TYR CA C 13 62.961 0.06 . 1 . . . . 65 TYR CA . 7187 1 711 . 1 1 65 65 TYR CB C 13 38.939 0.065 . 1 . . . . 65 TYR CB . 7187 1 712 . 1 1 65 65 TYR CD1 C 13 128.849 1.805 . 1 . . . . 65 TYR CD1 . 7187 1 713 . 1 1 65 65 TYR CE1 C 13 115.386 0.1 . 1 . . . . 65 TYR CE1 . 7187 1 714 . 1 1 65 65 TYR N N 15 118.71 0.054 . 1 . . . . 65 TYR N . 7187 1 715 . 1 1 66 66 TYR H H 1 8.147 0.024 . 1 . . . . 66 TYR H . 7187 1 716 . 1 1 66 66 TYR HA H 1 3.961 0.013 . 1 . . . . 66 TYR HA . 7187 1 717 . 1 1 66 66 TYR HB2 H 1 3.495 0.025 . 1 . . . . 66 TYR HB2 . 7187 1 718 . 1 1 66 66 TYR HB3 H 1 3.375 0.014 . 1 . . . . 66 TYR HB3 . 7187 1 719 . 1 1 66 66 TYR HD1 H 1 6.417 0.001 . 1 . . . . 66 TYR HD1 . 7187 1 720 . 1 1 66 66 TYR HD2 H 1 6.417 0.001 . 1 . . . . 66 TYR HD2 . 7187 1 721 . 1 1 66 66 TYR HE1 H 1 6.87 0.001 . 1 . . . . 66 TYR HE1 . 7187 1 722 . 1 1 66 66 TYR HE2 H 1 6.87 0.001 . 1 . . . . 66 TYR HE2 . 7187 1 723 . 1 1 66 66 TYR C C 13 173.795 0.1 . 1 . . . . 66 TYR C . 7187 1 724 . 1 1 66 66 TYR CA C 13 61.061 0.028 . 1 . . . . 66 TYR CA . 7187 1 725 . 1 1 66 66 TYR CB C 13 38.823 0.098 . 1 . . . . 66 TYR CB . 7187 1 726 . 1 1 66 66 TYR CE1 C 13 115.386 0.1 . 1 . . . . 66 TYR CE1 . 7187 1 727 . 1 1 66 66 TYR N N 15 120.94 0.182 . 1 . . . . 66 TYR N . 7187 1 728 . 1 1 67 67 GLN H H 1 8.412 0.024 . 1 . . . . 67 GLN H . 7187 1 729 . 1 1 67 67 GLN HA H 1 3.697 0.011 . 1 . . . . 67 GLN HA . 7187 1 730 . 1 1 67 67 GLN HB2 H 1 1.863 0.007 . 1 . . . . 67 GLN HB2 . 7187 1 731 . 1 1 67 67 GLN HB3 H 1 2.167 0.007 . 1 . . . . 67 GLN HB3 . 7187 1 732 . 1 1 67 67 GLN HG2 H 1 3.11 0.015 . 1 . . . . 67 GLN HG2 . 7187 1 733 . 1 1 67 67 GLN HG3 H 1 2.276 0.014 . 1 . . . . 67 GLN HG3 . 7187 1 734 . 1 1 67 67 GLN HE21 H 1 8.269 0.01 . 2 . . . . 67 GLN HE21 . 7187 1 735 . 1 1 67 67 GLN HE22 H 1 8.582 0.01 . 2 . . . . 67 GLN HE22 . 7187 1 736 . 1 1 67 67 GLN C C 13 176.678 0.1 . 1 . . . . 67 GLN C . 7187 1 737 . 1 1 67 67 GLN CA C 13 57.103 0.08 . 1 . . . . 67 GLN CA . 7187 1 738 . 1 1 67 67 GLN CB C 13 26.932 0.055 . 1 . . . . 67 GLN CB . 7187 1 739 . 1 1 67 67 GLN CG C 13 31.957 0.182 . 1 . . . . 67 GLN CG . 7187 1 740 . 1 1 67 67 GLN N N 15 114.08 0.145 . 1 . . . . 67 GLN N . 7187 1 741 . 1 1 67 67 GLN NE2 N 15 115.2 0.1 . 1 . . . . 67 GLN NE2 . 7187 1 742 . 1 1 68 68 HIS H H 1 8.386 0.012 . 1 . . . . 68 HIS H . 7187 1 743 . 1 1 68 68 HIS HA H 1 4.226 0.016 . 1 . . . . 68 HIS HA . 7187 1 744 . 1 1 68 68 HIS HB2 H 1 3.144 0.012 . 2 . . . . 68 HIS HB2 . 7187 1 745 . 1 1 68 68 HIS HB3 H 1 3.296 0.011 . 2 . . . . 68 HIS HB3 . 7187 1 746 . 1 1 68 68 HIS HD2 H 1 7.232 0.001 . 1 . . . . 68 HIS HD2 . 7187 1 747 . 1 1 68 68 HIS HE1 H 1 8.085 0.01 . 1 . . . . 68 HIS HE1 . 7187 1 748 . 1 1 68 68 HIS C C 13 173.268 0.1 . 1 . . . . 68 HIS C . 7187 1 749 . 1 1 68 68 HIS CA C 13 58.274 0.068 . 1 . . . . 68 HIS CA . 7187 1 750 . 1 1 68 68 HIS CB C 13 29.157 0.109 . 1 . . . . 68 HIS CB . 7187 1 751 . 1 1 68 68 HIS CD2 C 13 119.939 3.074 . 1 . . . . 68 HIS CD . 7187 1 752 . 1 1 68 68 HIS N N 15 118.091 0.136 . 1 . . . . 68 HIS N . 7187 1 753 . 1 1 69 69 ALA H H 1 8.285 0.012 . 1 . . . . 69 ALA H . 7187 1 754 . 1 1 69 69 ALA HA H 1 3.997 0.013 . 1 . . . . 69 ALA HA . 7187 1 755 . 1 1 69 69 ALA HB1 H 1 0.936 0.019 . 1 . . . . 69 ALA HB . 7187 1 756 . 1 1 69 69 ALA HB2 H 1 0.936 0.019 . 1 . . . . 69 ALA HB . 7187 1 757 . 1 1 69 69 ALA HB3 H 1 0.936 0.019 . 1 . . . . 69 ALA HB . 7187 1 758 . 1 1 69 69 ALA C C 13 173.913 0.1 . 1 . . . . 69 ALA C . 7187 1 759 . 1 1 69 69 ALA CA C 13 52.681 0.03 . 1 . . . . 69 ALA CA . 7187 1 760 . 1 1 69 69 ALA CB C 13 18.379 0.071 . 1 . . . . 69 ALA CB . 7187 1 761 . 1 1 69 69 ALA N N 15 120.017 0.136 . 1 . . . . 69 ALA N . 7187 1 762 . 1 1 70 70 GLY H H 1 6.926 0.011 . 1 . . . . 70 GLY H . 7187 1 763 . 1 1 70 70 GLY HA2 H 1 4.244 0.021 . 1 . . . . 70 GLY HA2 . 7187 1 764 . 1 1 70 70 GLY HA3 H 1 3.348 0.023 . 1 . . . . 70 GLY HA3 . 7187 1 765 . 1 1 70 70 GLY C C 13 170.735 0.1 . 1 . . . . 70 GLY C . 7187 1 766 . 1 1 70 70 GLY CA C 13 44.586 0.032 . 1 . . . . 70 GLY CA . 7187 1 767 . 1 1 70 70 GLY N N 15 102.679 0.284 . 1 . . . . 70 GLY N . 7187 1 768 . 1 1 71 71 ARG H H 1 7.732 0.014 . 1 . . . . 71 ARG H . 7187 1 769 . 1 1 71 71 ARG HA H 1 2.345 0.011 . 1 . . . . 71 ARG HA . 7187 1 770 . 1 1 71 71 ARG HB2 H 1 1.526 0.006 . 1 . . . . 71 ARG HB2 . 7187 1 771 . 1 1 71 71 ARG HB3 H 1 1.635 0.003 . 1 . . . . 71 ARG HB3 . 7187 1 772 . 1 1 71 71 ARG HG2 H 1 0.777 0.012 . 1 . . . . 71 ARG HG2 . 7187 1 773 . 1 1 71 71 ARG HG3 H 1 1.021 0.01 . 1 . . . . 71 ARG HG3 . 7187 1 774 . 1 1 71 71 ARG HD2 H 1 3.046 0.01 . 2 . . . . 71 ARG HD2 . 7187 1 775 . 1 1 71 71 ARG HD3 H 1 3.194 0.012 . 2 . . . . 71 ARG HD3 . 7187 1 776 . 1 1 71 71 ARG C C 13 172.333 0.1 . 1 . . . . 71 ARG C . 7187 1 777 . 1 1 71 71 ARG CA C 13 56.899 0.044 . 1 . . . . 71 ARG CA . 7187 1 778 . 1 1 71 71 ARG CB C 13 26.685 0.081 . 1 . . . . 71 ARG CB . 7187 1 779 . 1 1 71 71 ARG CG C 13 27.737 0.067 . 1 . . . . 71 ARG CG . 7187 1 780 . 1 1 71 71 ARG CD C 13 43.56 0.061 . 1 . . . . 71 ARG CD . 7187 1 781 . 1 1 71 71 ARG N N 15 113.536 0.213 . 1 . . . . 71 ARG N . 7187 1 782 . 1 1 72 72 ASN H H 1 7.769 0.014 . 1 . . . . 72 ASN H . 7187 1 783 . 1 1 72 72 ASN HA H 1 4.43 0.021 . 1 . . . . 72 ASN HA . 7187 1 784 . 1 1 72 72 ASN HB2 H 1 0.381 0.071 . 1 . . . . 72 ASN HB2 . 7187 1 785 . 1 1 72 72 ASN HB3 H 1 0.979 0.044 . 1 . . . . 72 ASN HB3 . 7187 1 786 . 1 1 72 72 ASN HD21 H 1 7.011 0.004 . 1 . . . . 72 ASN HD21 . 7187 1 787 . 1 1 72 72 ASN HD22 H 1 7.415 0.011 . 1 . . . . 72 ASN HD22 . 7187 1 788 . 1 1 72 72 ASN C C 13 175.31 0.1 . 1 . . . . 72 ASN C . 7187 1 789 . 1 1 72 72 ASN CA C 13 52 0.03 . 1 . . . . 72 ASN CA . 7187 1 790 . 1 1 72 72 ASN CB C 13 37.847 0.033 . 1 . . . . 72 ASN CB . 7187 1 791 . 1 1 72 72 ASN N N 15 115.558 0.053 . 1 . . . . 72 ASN N . 7187 1 792 . 1 1 72 72 ASN ND2 N 15 116.653 0.001 . 1 . . . . 72 ASN ND2 . 7187 1 793 . 1 1 73 73 SER H H 1 9.221 0.033 . 1 . . . . 73 SER H . 7187 1 794 . 1 1 73 73 SER HA H 1 3.993 0.018 . 1 . . . . 73 SER HA . 7187 1 795 . 1 1 73 73 SER HB2 H 1 4.123 0.004 . 1 . . . . 73 SER HB2 . 7187 1 796 . 1 1 73 73 SER HB3 H 1 4.123 0.004 . 1 . . . . 73 SER HB3 . 7187 1 797 . 1 1 73 73 SER C C 13 174.523 0.1 . 1 . . . . 73 SER C . 7187 1 798 . 1 1 73 73 SER CA C 13 62.137 0.151 . 1 . . . . 73 SER CA . 7187 1 799 . 1 1 73 73 SER N N 15 120.201 0.092 . 1 . . . . 73 SER N . 7187 1 800 . 1 1 74 74 TRP H H 1 6.856 0.029 . 1 . . . . 74 TRP H . 7187 1 801 . 1 1 74 74 TRP HA H 1 4.731 0.013 . 1 . . . . 74 TRP HA . 7187 1 802 . 1 1 74 74 TRP HB2 H 1 3.335 0.023 . 1 . . . . 74 TRP HB2 . 7187 1 803 . 1 1 74 74 TRP HB3 H 1 3.558 0.015 . 1 . . . . 74 TRP HB3 . 7187 1 804 . 1 1 74 74 TRP HD1 H 1 7.19 0.003 . 1 . . . . 74 TRP HD1 . 7187 1 805 . 1 1 74 74 TRP HE1 H 1 10.333 0.001 . 1 . . . . 74 TRP HE1 . 7187 1 806 . 1 1 74 74 TRP HE3 H 1 7.707 0.005 . 1 . . . . 74 TRP HE3 . 7187 1 807 . 1 1 74 74 TRP HZ2 H 1 7.482 0.006 . 1 . . . . 74 TRP HZ2 . 7187 1 808 . 1 1 74 74 TRP HZ3 H 1 7.292 0.002 . 1 . . . . 74 TRP HZ3 . 7187 1 809 . 1 1 74 74 TRP HH2 H 1 7.255 0.001 . 1 . . . . 74 TRP HH2 . 7187 1 810 . 1 1 74 74 TRP C C 13 173.946 0.1 . 1 . . . . 74 TRP C . 7187 1 811 . 1 1 74 74 TRP CA C 13 58.491 0.052 . 1 . . . . 74 TRP CA . 7187 1 812 . 1 1 74 74 TRP CB C 13 26.992 0.052 . 1 . . . . 74 TRP CB . 7187 1 813 . 1 1 74 74 TRP CD1 C 13 124.616 0.1 . 1 . . . . 74 TRP CD1 . 7187 1 814 . 1 1 74 74 TRP CE3 C 13 116.937 0.1 . 1 . . . . 74 TRP CE3 . 7187 1 815 . 1 1 74 74 TRP CZ2 C 13 112.539 0.1 . 1 . . . . 74 TRP CZ2 . 7187 1 816 . 1 1 74 74 TRP CZ3 C 13 120.217 0.1 . 1 . . . . 74 TRP CZ3 . 7187 1 817 . 1 1 74 74 TRP CH2 C 13 122.671 0.1 . 1 . . . . 74 TRP CH2 . 7187 1 818 . 1 1 74 74 TRP N N 15 116.108 0.053 . 1 . . . . 74 TRP N . 7187 1 819 . 1 1 75 75 ASN H H 1 7.702 0.016 . 1 . . . . 75 ASN H . 7187 1 820 . 1 1 75 75 ASN HA H 1 5.098 0.012 . 1 . . . . 75 ASN HA . 7187 1 821 . 1 1 75 75 ASN HB2 H 1 3.058 0.013 . 1 . . . . 75 ASN HB2 . 7187 1 822 . 1 1 75 75 ASN HB3 H 1 2.84 0.016 . 1 . . . . 75 ASN HB3 . 7187 1 823 . 1 1 75 75 ASN HD21 H 1 6.874 0.015 . 2 . . . . 75 ASN HD21 . 7187 1 824 . 1 1 75 75 ASN HD22 H 1 7.531 0.007 . 2 . . . . 75 ASN HD22 . 7187 1 825 . 1 1 75 75 ASN C C 13 170.219 0.1 . 1 . . . . 75 ASN C . 7187 1 826 . 1 1 75 75 ASN CA C 13 54.382 0.043 . 1 . . . . 75 ASN CA . 7187 1 827 . 1 1 75 75 ASN CB C 13 40.93 0.035 . 1 . . . . 75 ASN CB . 7187 1 828 . 1 1 75 75 ASN N N 15 117.822 0.069 . 1 . . . . 75 ASN N . 7187 1 829 . 1 1 75 75 ASN ND2 N 15 108.116 0.027 . 1 . . . . 75 ASN ND2 . 7187 1 830 . 1 1 76 76 CYS H H 1 7.572 0.02 . 1 . . . . 76 CYS H . 7187 1 831 . 1 1 76 76 CYS HA H 1 5.128 0.015 . 1 . . . . 76 CYS HA . 7187 1 832 . 1 1 76 76 CYS HB2 H 1 2.309 0.017 . 2 . . . . 76 CYS HB2 . 7187 1 833 . 1 1 76 76 CYS HB3 H 1 2.756 0.023 . 2 . . . . 76 CYS HB3 . 7187 1 834 . 1 1 76 76 CYS C C 13 168.587 0.1 . 1 . . . . 76 CYS C . 7187 1 835 . 1 1 76 76 CYS CA C 13 53.129 0.047 . 1 . . . . 76 CYS CA . 7187 1 836 . 1 1 76 76 CYS CB C 13 38.282 0.119 . 1 . . . . 76 CYS CB . 7187 1 837 . 1 1 76 76 CYS N N 15 118.139 0.059 . 1 . . . . 76 CYS N . 7187 1 838 . 1 1 77 77 ASP H H 1 7.437 0.021 . 1 . . . . 77 ASP H . 7187 1 839 . 1 1 77 77 ASP HA H 1 4.917 0.029 . 1 . . . . 77 ASP HA . 7187 1 840 . 1 1 77 77 ASP HB2 H 1 2.728 0.02 . 2 . . . . 77 ASP HB2 . 7187 1 841 . 1 1 77 77 ASP HB3 H 1 2.81 0.039 . 2 . . . . 77 ASP HB3 . 7187 1 842 . 1 1 77 77 ASP C C 13 171.681 0.1 . 1 . . . . 77 ASP C . 7187 1 843 . 1 1 77 77 ASP CA C 13 55.688 0.043 . 1 . . . . 77 ASP CA . 7187 1 844 . 1 1 77 77 ASP CB C 13 43.502 0.068 . 1 . . . . 77 ASP CB . 7187 1 845 . 1 1 77 77 ASP N N 15 119.907 0.057 . 1 . . . . 77 ASP N . 7187 1 846 . 1 1 78 78 PHE H H 1 8.454 0.011 . 1 . . . . 78 PHE H . 7187 1 847 . 1 1 78 78 PHE HA H 1 3.867 0.017 . 1 . . . . 78 PHE HA . 7187 1 848 . 1 1 78 78 PHE HB2 H 1 3.011 0.018 . 1 . . . . 78 PHE HB2 . 7187 1 849 . 1 1 78 78 PHE HB3 H 1 3.011 0.018 . 1 . . . . 78 PHE HB3 . 7187 1 850 . 1 1 78 78 PHE HD1 H 1 7.018 0.007 . 1 . . . . 78 PHE HD1 . 7187 1 851 . 1 1 78 78 PHE HD2 H 1 7.018 0.007 . 1 . . . . 78 PHE HD2 . 7187 1 852 . 1 1 78 78 PHE HE1 H 1 7.029 0.001 . 1 . . . . 78 PHE HE1 . 7187 1 853 . 1 1 78 78 PHE HE2 H 1 7.029 0.001 . 1 . . . . 78 PHE HE2 . 7187 1 854 . 1 1 78 78 PHE HZ H 1 7.355 0.001 . 1 . . . . 78 PHE HZ . 7187 1 855 . 1 1 78 78 PHE C C 13 174.605 0.1 . 1 . . . . 78 PHE C . 7187 1 856 . 1 1 78 78 PHE CA C 13 58.453 0.034 . 1 . . . . 78 PHE CA . 7187 1 857 . 1 1 78 78 PHE CB C 13 35.227 0.047 . 1 . . . . 78 PHE CB . 7187 1 858 . 1 1 78 78 PHE CD1 C 13 129.777 0.1 . 1 . . . . 78 PHE CD1 . 7187 1 859 . 1 1 78 78 PHE CE1 C 13 128.315 0.1 . 1 . . . . 78 PHE CE1 . 7187 1 860 . 1 1 78 78 PHE CZ C 13 129.54 0.1 . 1 . . . . 78 PHE CZ . 7187 1 861 . 1 1 78 78 PHE N N 15 114.731 0.035 . 1 . . . . 78 PHE N . 7187 1 862 . 1 1 79 79 SER H H 1 8.74 0.017 . 1 . . . . 79 SER H . 7187 1 863 . 1 1 79 79 SER HA H 1 4.015 0.018 . 1 . . . . 79 SER HA . 7187 1 864 . 1 1 79 79 SER HB2 H 1 4.053 0.014 . 1 . . . . 79 SER HB2 . 7187 1 865 . 1 1 79 79 SER HB3 H 1 4.053 0.014 . 1 . . . . 79 SER HB3 . 7187 1 866 . 1 1 79 79 SER C C 13 170.998 0.1 . 1 . . . . 79 SER C . 7187 1 867 . 1 1 79 79 SER CA C 13 58.54 0.071 . 1 . . . . 79 SER CA . 7187 1 868 . 1 1 79 79 SER CB C 13 61.158 0.108 . 1 . . . . 79 SER CB . 7187 1 869 . 1 1 79 79 SER N N 15 115.119 0.038 . 1 . . . . 79 SER N . 7187 1 870 . 1 1 80 80 GLN H H 1 8.312 0.03 . 1 . . . . 80 GLN H . 7187 1 871 . 1 1 80 80 GLN HA H 1 4.236 0.018 . 1 . . . . 80 GLN HA . 7187 1 872 . 1 1 80 80 GLN HB2 H 1 2.367 0.011 . 2 . . . . 80 GLN HB2 . 7187 1 873 . 1 1 80 80 GLN HB3 H 1 2.434 0.003 . 2 . . . . 80 GLN HB3 . 7187 1 874 . 1 1 80 80 GLN HG2 H 1 2.408 0.01 . 1 . . . . 80 GLN HG2 . 7187 1 875 . 1 1 80 80 GLN HG3 H 1 2.408 0.01 . 1 . . . . 80 GLN HG3 . 7187 1 876 . 1 1 80 80 GLN HE21 H 1 6.923 0.01 . 2 . . . . 80 GLN HE21 . 7187 1 877 . 1 1 80 80 GLN HE22 H 1 7.795 0.01 . 2 . . . . 80 GLN HE22 . 7187 1 878 . 1 1 80 80 GLN C C 13 174.137 0.1 . 1 . . . . 80 GLN C . 7187 1 879 . 1 1 80 80 GLN CA C 13 57.266 0.129 . 1 . . . . 80 GLN CA . 7187 1 880 . 1 1 80 80 GLN CB C 13 26.114 0.036 . 1 . . . . 80 GLN CB . 7187 1 881 . 1 1 80 80 GLN CG C 13 34.94 0.03 . 1 . . . . 80 GLN CG . 7187 1 882 . 1 1 80 80 GLN N N 15 111.795 0.157 . 1 . . . . 80 GLN N . 7187 1 883 . 1 1 80 80 GLN NE2 N 15 113.5 0.1 . 1 . . . . 80 GLN NE2 . 7187 1 884 . 1 1 81 81 THR H H 1 7.936 0.016 . 1 . . . . 81 THR H . 7187 1 885 . 1 1 81 81 THR HA H 1 4.527 0.019 . 1 . . . . 81 THR HA . 7187 1 886 . 1 1 81 81 THR HB H 1 4.547 0.012 . 1 . . . . 81 THR HB . 7187 1 887 . 1 1 81 81 THR HG1 H 1 6.222 0.001 . 1 . . . . 81 THR HG1 . 7187 1 888 . 1 1 81 81 THR HG21 H 1 1.296 0.017 . 1 . . . . 81 THR HG2 . 7187 1 889 . 1 1 81 81 THR HG22 H 1 1.296 0.017 . 1 . . . . 81 THR HG2 . 7187 1 890 . 1 1 81 81 THR HG23 H 1 1.296 0.017 . 1 . . . . 81 THR HG2 . 7187 1 891 . 1 1 81 81 THR C C 13 170.356 0.1 . 1 . . . . 81 THR C . 7187 1 892 . 1 1 81 81 THR CA C 13 61.976 0.062 . 1 . . . . 81 THR CA . 7187 1 893 . 1 1 81 81 THR CB C 13 71.309 0.076 . 1 . . . . 81 THR CB . 7187 1 894 . 1 1 81 81 THR CG2 C 13 21.744 0.045 . 1 . . . . 81 THR CG2 . 7187 1 895 . 1 1 81 81 THR N N 15 106.889 0.161 . 1 . . . . 81 THR N . 7187 1 896 . 1 1 82 82 ALA H H 1 7.533 0.021 . 1 . . . . 82 ALA H . 7187 1 897 . 1 1 82 82 ALA HA H 1 5.085 0.02 . 1 . . . . 82 ALA HA . 7187 1 898 . 1 1 82 82 ALA HB1 H 1 1.194 0.018 . 1 . . . . 82 ALA HB . 7187 1 899 . 1 1 82 82 ALA HB2 H 1 1.194 0.018 . 1 . . . . 82 ALA HB . 7187 1 900 . 1 1 82 82 ALA HB3 H 1 1.194 0.018 . 1 . . . . 82 ALA HB . 7187 1 901 . 1 1 82 82 ALA C C 13 172.494 0.1 . 1 . . . . 82 ALA C . 7187 1 902 . 1 1 82 82 ALA CA C 13 50.17 0.051 . 1 . . . . 82 ALA CA . 7187 1 903 . 1 1 82 82 ALA CB C 13 25.387 0.058 . 1 . . . . 82 ALA CB . 7187 1 904 . 1 1 82 82 ALA N N 15 124.079 0.136 . 1 . . . . 82 ALA N . 7187 1 905 . 1 1 83 83 THR H H 1 9.293 0.009 . 1 . . . . 83 THR H . 7187 1 906 . 1 1 83 83 THR HA H 1 4.64 0.019 . 1 . . . . 83 THR HA . 7187 1 907 . 1 1 83 83 THR HB H 1 3.797 0.02 . 1 . . . . 83 THR HB . 7187 1 908 . 1 1 83 83 THR HG21 H 1 0.942 0.007 . 1 . . . . 83 THR HG2 . 7187 1 909 . 1 1 83 83 THR HG22 H 1 0.942 0.007 . 1 . . . . 83 THR HG2 . 7187 1 910 . 1 1 83 83 THR HG23 H 1 0.942 0.007 . 1 . . . . 83 THR HG2 . 7187 1 911 . 1 1 83 83 THR C C 13 167.871 0.1 . 1 . . . . 83 THR C . 7187 1 912 . 1 1 83 83 THR CA C 13 59.673 0.056 . 1 . . . . 83 THR CA . 7187 1 913 . 1 1 83 83 THR CB C 13 70.653 0.084 . 1 . . . . 83 THR CB . 7187 1 914 . 1 1 83 83 THR CG2 C 13 18.727 0.095 . 1 . . . . 83 THR CG2 . 7187 1 915 . 1 1 83 83 THR N N 15 115.663 0.107 . 1 . . . . 83 THR N . 7187 1 916 . 1 1 84 84 LEU H H 1 7.739 0.02 . 1 . . . . 84 LEU H . 7187 1 917 . 1 1 84 84 LEU HA H 1 5.372 0.013 . 1 . . . . 84 LEU HA . 7187 1 918 . 1 1 84 84 LEU HB2 H 1 1.222 0.016 . 2 . . . . 84 LEU HB2 . 7187 1 919 . 1 1 84 84 LEU HB3 H 1 1.69 0.014 . 2 . . . . 84 LEU HB3 . 7187 1 920 . 1 1 84 84 LEU HG H 1 1.569 0.01 . 1 . . . . 84 LEU HG . 7187 1 921 . 1 1 84 84 LEU HD11 H 1 0.38 0.011 . 2 . . . . 84 LEU HD1 . 7187 1 922 . 1 1 84 84 LEU HD12 H 1 0.38 0.011 . 2 . . . . 84 LEU HD1 . 7187 1 923 . 1 1 84 84 LEU HD13 H 1 0.38 0.011 . 2 . . . . 84 LEU HD1 . 7187 1 924 . 1 1 84 84 LEU HD21 H 1 0.806 0.012 . 2 . . . . 84 LEU HD2 . 7187 1 925 . 1 1 84 84 LEU HD22 H 1 0.806 0.012 . 2 . . . . 84 LEU HD2 . 7187 1 926 . 1 1 84 84 LEU HD23 H 1 0.806 0.012 . 2 . . . . 84 LEU HD2 . 7187 1 927 . 1 1 84 84 LEU C C 13 175.649 0.1 . 1 . . . . 84 LEU C . 7187 1 928 . 1 1 84 84 LEU CA C 13 54.016 0.062 . 1 . . . . 84 LEU CA . 7187 1 929 . 1 1 84 84 LEU CB C 13 43.837 0.167 . 1 . . . . 84 LEU CB . 7187 1 930 . 1 1 84 84 LEU CG C 13 26.83 0.081 . 1 . . . . 84 LEU CG . 7187 1 931 . 1 1 84 84 LEU CD1 C 13 23.463 0.08 . 2 . . . . 84 LEU CD1 . 7187 1 932 . 1 1 84 84 LEU CD2 C 13 25.557 0.094 . 2 . . . . 84 LEU CD2 . 7187 1 933 . 1 1 84 84 LEU N N 15 124.593 0.123 . 1 . . . . 84 LEU N . 7187 1 934 . 1 1 85 85 THR H H 1 9.196 0.014 . 1 . . . . 85 THR H . 7187 1 935 . 1 1 85 85 THR HA H 1 4.941 0.046 . 1 . . . . 85 THR HA . 7187 1 936 . 1 1 85 85 THR HB H 1 4.065 0.013 . 1 . . . . 85 THR HB . 7187 1 937 . 1 1 85 85 THR HG21 H 1 1.367 0.018 . 1 . . . . 85 THR HG2 . 7187 1 938 . 1 1 85 85 THR HG22 H 1 1.367 0.018 . 1 . . . . 85 THR HG2 . 7187 1 939 . 1 1 85 85 THR HG23 H 1 1.367 0.018 . 1 . . . . 85 THR HG2 . 7187 1 940 . 1 1 85 85 THR C C 13 169.478 0.1 . 1 . . . . 85 THR C . 7187 1 941 . 1 1 85 85 THR CA C 13 59.385 0.09 . 1 . . . . 85 THR CA . 7187 1 942 . 1 1 85 85 THR CB C 13 70.36 0.054 . 1 . . . . 85 THR CB . 7187 1 943 . 1 1 85 85 THR CG2 C 13 21.1 0.076 . 1 . . . . 85 THR CG2 . 7187 1 944 . 1 1 85 85 THR N N 15 115.982 0.075 . 1 . . . . 85 THR N . 7187 1 945 . 1 1 86 86 ASN H H 1 8.437 0.009 . 1 . . . . 86 ASN H . 7187 1 946 . 1 1 86 86 ASN HA H 1 5.617 0.012 . 1 . . . . 86 ASN HA . 7187 1 947 . 1 1 86 86 ASN HB2 H 1 2.922 0.006 . 2 . . . . 86 ASN HB2 . 7187 1 948 . 1 1 86 86 ASN HB3 H 1 3.245 0.025 . 2 . . . . 86 ASN HB3 . 7187 1 949 . 1 1 86 86 ASN C C 13 172.129 0.1 . 1 . . . . 86 ASN C . 7187 1 950 . 1 1 86 86 ASN CA C 13 53.113 0.051 . 1 . . . . 86 ASN CA . 7187 1 951 . 1 1 86 86 ASN CB C 13 39.751 0.068 . 1 . . . . 86 ASN CB . 7187 1 952 . 1 1 86 86 ASN N N 15 123.175 0.111 . 1 . . . . 86 ASN N . 7187 1 953 . 1 1 87 87 THR H H 1 8.486 0.008 . 1 . . . . 87 THR H . 7187 1 954 . 1 1 87 87 THR HA H 1 4.289 0.019 . 1 . . . . 87 THR HA . 7187 1 955 . 1 1 87 87 THR HB H 1 3.86 0.006 . 1 . . . . 87 THR HB . 7187 1 956 . 1 1 87 87 THR HG21 H 1 1.011 0.02 . 1 . . . . 87 THR HG2 . 7187 1 957 . 1 1 87 87 THR HG22 H 1 1.011 0.02 . 1 . . . . 87 THR HG2 . 7187 1 958 . 1 1 87 87 THR HG23 H 1 1.011 0.02 . 1 . . . . 87 THR HG2 . 7187 1 959 . 1 1 87 87 THR C C 13 169.84 0.1 . 1 . . . . 87 THR C . 7187 1 960 . 1 1 87 87 THR CA C 13 61.908 0.098 . 1 . . . . 87 THR CA . 7187 1 961 . 1 1 87 87 THR CB C 13 69.599 0.106 . 1 . . . . 87 THR CB . 7187 1 962 . 1 1 87 87 THR CG2 C 13 21.61 0.028 . 1 . . . . 87 THR CG2 . 7187 1 963 . 1 1 87 87 THR N N 15 120.593 0.099 . 1 . . . . 87 THR N . 7187 1 964 . 1 1 88 88 ASN H H 1 8.258 0.021 . 1 . . . . 88 ASN H . 7187 1 965 . 1 1 88 88 ASN HA H 1 1.752 0.025 . 1 . . . . 88 ASN HA . 7187 1 966 . 1 1 88 88 ASN HB2 H 1 2.343 0.02 . 1 . . . . 88 ASN HB2 . 7187 1 967 . 1 1 88 88 ASN HB3 H 1 2.711 0.018 . 1 . . . . 88 ASN HB3 . 7187 1 968 . 1 1 88 88 ASN HD21 H 1 7.842 0.008 . 1 . . . . 88 ASN HD21 . 7187 1 969 . 1 1 88 88 ASN CA C 13 50.039 0.05 . 1 . . . . 88 ASN CA . 7187 1 970 . 1 1 88 88 ASN CB C 13 38.971 0.034 . 1 . . . . 88 ASN CB . 7187 1 971 . 1 1 88 88 ASN N N 15 128.224 0.251 . 1 . . . . 88 ASN N . 7187 1 972 . 1 1 88 88 ASN ND2 N 15 116.6 0.1 . 1 . . . . 88 ASN ND2 . 7187 1 973 . 1 1 89 89 PRO HA H 1 4.126 0.007 . 1 . . . . 89 PRO HA . 7187 1 974 . 1 1 89 89 PRO HB2 H 1 0.206 0.022 . 1 . . . . 89 PRO HB2 . 7187 1 975 . 1 1 89 89 PRO HB3 H 1 1.676 0.007 . 1 . . . . 89 PRO HB3 . 7187 1 976 . 1 1 89 89 PRO HG2 H 1 1.09 0.008 . 1 . . . . 89 PRO HG2 . 7187 1 977 . 1 1 89 89 PRO HG3 H 1 0.6 0.008 . 1 . . . . 89 PRO HG3 . 7187 1 978 . 1 1 89 89 PRO HD2 H 1 1.502 0.007 . 1 . . . . 89 PRO HD2 . 7187 1 979 . 1 1 89 89 PRO HD3 H 1 2.747 0.01 . 1 . . . . 89 PRO HD3 . 7187 1 980 . 1 1 89 89 PRO C C 13 172.759 0.1 . 1 . . . . 89 PRO C . 7187 1 981 . 1 1 89 89 PRO CA C 13 61.622 0.113 . 1 . . . . 89 PRO CA . 7187 1 982 . 1 1 89 89 PRO CB C 13 30.645 0.105 . 1 . . . . 89 PRO CB . 7187 1 983 . 1 1 89 89 PRO CG C 13 26.709 0.14 . 1 . . . . 89 PRO CG . 7187 1 984 . 1 1 89 89 PRO CD C 13 49.855 0.054 . 1 . . . . 89 PRO CD . 7187 1 985 . 1 1 90 90 SER H H 1 7.484 0.009 . 1 . . . . 90 SER H . 7187 1 986 . 1 1 90 90 SER HA H 1 4.358 0.018 . 1 . . . . 90 SER HA . 7187 1 987 . 1 1 90 90 SER HB2 H 1 3.515 0.008 . 2 . . . . 90 SER HB2 . 7187 1 988 . 1 1 90 90 SER HB3 H 1 4.155 0.055 . 2 . . . . 90 SER HB3 . 7187 1 989 . 1 1 90 90 SER C C 13 169.532 0.1 . 1 . . . . 90 SER C . 7187 1 990 . 1 1 90 90 SER CA C 13 61.266 0.031 . 1 . . . . 90 SER CA . 7187 1 991 . 1 1 90 90 SER CB C 13 63.875 0.04 . 1 . . . . 90 SER CB . 7187 1 992 . 1 1 90 90 SER N N 15 112.076 0.052 . 1 . . . . 90 SER N . 7187 1 993 . 1 1 91 91 TYR H H 1 7.773 0.016 . 1 . . . . 91 TYR H . 7187 1 994 . 1 1 91 91 TYR HA H 1 4.706 0.016 . 1 . . . . 91 TYR HA . 7187 1 995 . 1 1 91 91 TYR HB2 H 1 2.837 0.017 . 2 . . . . 91 TYR HB2 . 7187 1 996 . 1 1 91 91 TYR HB3 H 1 3.003 0.018 . 2 . . . . 91 TYR HB3 . 7187 1 997 . 1 1 91 91 TYR HD1 H 1 7.263 0.001 . 1 . . . . 91 TYR HD1 . 7187 1 998 . 1 1 91 91 TYR HD2 H 1 7.263 0.001 . 1 . . . . 91 TYR HD2 . 7187 1 999 . 1 1 91 91 TYR HE1 H 1 7.124 0.001 . 1 . . . . 91 TYR HE1 . 7187 1 1000 . 1 1 91 91 TYR HE2 H 1 7.124 0.001 . 1 . . . . 91 TYR HE2 . 7187 1 1001 . 1 1 91 91 TYR C C 13 170.574 0.1 . 1 . . . . 91 TYR C . 7187 1 1002 . 1 1 91 91 TYR CA C 13 55.671 0.073 . 1 . . . . 91 TYR CA . 7187 1 1003 . 1 1 91 91 TYR CB C 13 39.79 0.08 . 1 . . . . 91 TYR CB . 7187 1 1004 . 1 1 91 91 TYR CD1 C 13 131.531 0.1 . 1 . . . . 91 TYR CD1 . 7187 1 1005 . 1 1 91 91 TYR CE1 C 13 123.007 0.1 . 1 . . . . 91 TYR CE1 . 7187 1 1006 . 1 1 91 91 TYR N N 15 120.37 0.12 . 1 . . . . 91 TYR N . 7187 1 1007 . 1 1 92 92 GLY H H 1 8.703 0.016 . 1 . . . . 92 GLY H . 7187 1 1008 . 1 1 92 92 GLY HA2 H 1 3.736 0.018 . 1 . . . . 92 GLY HA2 . 7187 1 1009 . 1 1 92 92 GLY HA3 H 1 3.832 0.016 . 1 . . . . 92 GLY HA3 . 7187 1 1010 . 1 1 92 92 GLY C C 13 171.972 0.1 . 1 . . . . 92 GLY C . 7187 1 1011 . 1 1 92 92 GLY CA C 13 47.539 0.045 . 1 . . . . 92 GLY CA . 7187 1 1012 . 1 1 92 92 GLY N N 15 109.093 0.163 . 1 . . . . 92 GLY N . 7187 1 1013 . 1 1 93 93 ALA H H 1 8.775 0.043 . 1 . . . . 93 ALA H . 7187 1 1014 . 1 1 93 93 ALA HA H 1 4.444 0.012 . 1 . . . . 93 ALA HA . 7187 1 1015 . 1 1 93 93 ALA HB1 H 1 1.479 0.018 . 1 . . . . 93 ALA HB . 7187 1 1016 . 1 1 93 93 ALA HB2 H 1 1.479 0.018 . 1 . . . . 93 ALA HB . 7187 1 1017 . 1 1 93 93 ALA HB3 H 1 1.479 0.018 . 1 . . . . 93 ALA HB . 7187 1 1018 . 1 1 93 93 ALA C C 13 173.134 0.1 . 1 . . . . 93 ALA C . 7187 1 1019 . 1 1 93 93 ALA CA C 13 51.508 0.082 . 1 . . . . 93 ALA CA . 7187 1 1020 . 1 1 93 93 ALA CB C 13 18.694 0.058 . 1 . . . . 93 ALA CB . 7187 1 1021 . 1 1 93 93 ALA N N 15 129.982 0.241 . 1 . . . . 93 ALA N . 7187 1 1022 . 1 1 94 94 CYS H H 1 8.89 0.01 . 1 . . . . 94 CYS H . 7187 1 1023 . 1 1 94 94 CYS HA H 1 4.234 0.021 . 1 . . . . 94 CYS HA . 7187 1 1024 . 1 1 94 94 CYS HB2 H 1 2.539 0.024 . 1 . . . . 94 CYS HB2 . 7187 1 1025 . 1 1 94 94 CYS HB3 H 1 2.539 0.024 . 1 . . . . 94 CYS HB3 . 7187 1 1026 . 1 1 94 94 CYS C C 13 169.228 0.1 . 1 . . . . 94 CYS C . 7187 1 1027 . 1 1 94 94 CYS CA C 13 55.49 0.034 . 1 . . . . 94 CYS CA . 7187 1 1028 . 1 1 94 94 CYS CB C 13 40.862 0.04 . 1 . . . . 94 CYS CB . 7187 1 1029 . 1 1 94 94 CYS N N 15 123.163 0.103 . 1 . . . . 94 CYS N . 7187 1 1030 . 1 1 95 95 ASN H H 1 8.198 0.019 . 1 . . . . 95 ASN H . 7187 1 1031 . 1 1 95 95 ASN HA H 1 4.846 0.015 . 1 . . . . 95 ASN HA . 7187 1 1032 . 1 1 95 95 ASN HB2 H 1 2.688 0.022 . 1 . . . . 95 ASN HB2 . 7187 1 1033 . 1 1 95 95 ASN HB3 H 1 2.688 0.022 . 1 . . . . 95 ASN HB3 . 7187 1 1034 . 1 1 95 95 ASN C C 13 172.138 0.1 . 1 . . . . 95 ASN C . 7187 1 1035 . 1 1 95 95 ASN CA C 13 52.903 0.037 . 1 . . . . 95 ASN CA . 7187 1 1036 . 1 1 95 95 ASN CB C 13 40.135 0.068 . 1 . . . . 95 ASN CB . 7187 1 1037 . 1 1 95 95 ASN N N 15 125.258 0.152 . 1 . . . . 95 ASN N . 7187 1 1038 . 1 1 96 96 PHE H H 1 9.684 0.017 . 1 . . . . 96 PHE H . 7187 1 1039 . 1 1 96 96 PHE HA H 1 5.033 0.019 . 1 . . . . 96 PHE HA . 7187 1 1040 . 1 1 96 96 PHE HB2 H 1 2.911 0.012 . 2 . . . . 96 PHE HB2 . 7187 1 1041 . 1 1 96 96 PHE HB3 H 1 3.266 0.031 . 2 . . . . 96 PHE HB3 . 7187 1 1042 . 1 1 96 96 PHE HD1 H 1 7.337 0.005 . 1 . . . . 96 PHE HD1 . 7187 1 1043 . 1 1 96 96 PHE HD2 H 1 7.337 0.005 . 1 . . . . 96 PHE HD2 . 7187 1 1044 . 1 1 96 96 PHE HE1 H 1 7.421 0.005 . 1 . . . . 96 PHE HE1 . 7187 1 1045 . 1 1 96 96 PHE HE2 H 1 7.421 0.005 . 1 . . . . 96 PHE HE2 . 7187 1 1046 . 1 1 96 96 PHE HZ H 1 7.801 0.013 . 1 . . . . 96 PHE HZ . 7187 1 1047 . 1 1 96 96 PHE CA C 13 54.552 0.054 . 1 . . . . 96 PHE CA . 7187 1 1048 . 1 1 96 96 PHE CB C 13 39.012 0.155 . 1 . . . . 96 PHE CB . 7187 1 1049 . 1 1 96 96 PHE CD1 C 13 128.29 0.155 . 1 . . . . 96 PHE CD1 . 7187 1 1050 . 1 1 96 96 PHE CE1 C 13 129.853 0.155 . 1 . . . . 96 PHE CE1 . 7187 1 1051 . 1 1 96 96 PHE CZ C 13 127.387 0.155 . 1 . . . . 96 PHE CZ . 7187 1 1052 . 1 1 96 96 PHE N N 15 128.692 0.266 . 1 . . . . 96 PHE N . 7187 1 1053 . 1 1 97 97 PRO HA H 1 4.558 0.02 . 1 . . . . 97 PRO HA . 7187 1 1054 . 1 1 97 97 PRO HB2 H 1 1.894 0.019 . 1 . . . . 97 PRO HB2 . 7187 1 1055 . 1 1 97 97 PRO HB3 H 1 2.453 0.019 . 1 . . . . 97 PRO HB3 . 7187 1 1056 . 1 1 97 97 PRO HG2 H 1 1.949 0.002 . 2 . . . . 97 PRO HG2 . 7187 1 1057 . 1 1 97 97 PRO HG3 H 1 2.109 0.005 . 2 . . . . 97 PRO HG3 . 7187 1 1058 . 1 1 97 97 PRO HD2 H 1 3.707 0.011 . 2 . . . . 97 PRO HD2 . 7187 1 1059 . 1 1 97 97 PRO HD3 H 1 4.361 0.011 . 2 . . . . 97 PRO HD3 . 7187 1 1060 . 1 1 97 97 PRO C C 13 172.885 0.1 . 1 . . . . 97 PRO C . 7187 1 1061 . 1 1 97 97 PRO CA C 13 63.351 0.048 . 1 . . . . 97 PRO CA . 7187 1 1062 . 1 1 97 97 PRO CB C 13 32.832 0.047 . 1 . . . . 97 PRO CB . 7187 1 1063 . 1 1 97 97 PRO CG C 13 27.674 0.114 . 1 . . . . 97 PRO CG . 7187 1 1064 . 1 1 97 97 PRO CD C 13 51.267 0.112 . 1 . . . . 97 PRO CD . 7187 1 1065 . 1 1 98 98 SER H H 1 8.389 0.018 . 1 . . . . 98 SER H . 7187 1 1066 . 1 1 98 98 SER HA H 1 4.302 0.021 . 1 . . . . 98 SER HA . 7187 1 1067 . 1 1 98 98 SER HB2 H 1 3.234 0.022 . 2 . . . . 98 SER HB2 . 7187 1 1068 . 1 1 98 98 SER HB3 H 1 3.373 0.016 . 2 . . . . 98 SER HB3 . 7187 1 1069 . 1 1 98 98 SER C C 13 171.917 0.1 . 1 . . . . 98 SER C . 7187 1 1070 . 1 1 98 98 SER CA C 13 57.078 0.042 . 1 . . . . 98 SER CA . 7187 1 1071 . 1 1 98 98 SER CB C 13 64.659 0.033 . 1 . . . . 98 SER CB . 7187 1 1072 . 1 1 98 98 SER N N 15 113.59 0.067 . 1 . . . . 98 SER N . 7187 1 1073 . 1 1 99 99 GLY H H 1 8.039 0.014 . 1 . . . . 99 GLY H . 7187 1 1074 . 1 1 99 99 GLY HA2 H 1 3.397 0.001 . 2 . . . . 99 GLY HA2 . 7187 1 1075 . 1 1 99 99 GLY HA3 H 1 3.942 0.019 . 2 . . . . 99 GLY HA3 . 7187 1 1076 . 1 1 99 99 GLY C C 13 170.627 0.1 . 1 . . . . 99 GLY C . 7187 1 1077 . 1 1 99 99 GLY CA C 13 45.249 0.03 . 1 . . . . 99 GLY CA . 7187 1 1078 . 1 1 99 99 GLY N N 15 111.301 0.143 . 1 . . . . 99 GLY N . 7187 1 1079 . 1 1 100 100 SER H H 1 8.178 0.012 . 1 . . . . 100 SER H . 7187 1 1080 . 1 1 100 100 SER HA H 1 4.434 0.01 . 1 . . . . 100 SER HA . 7187 1 1081 . 1 1 100 100 SER HB2 H 1 3.774 0.028 . 1 . . . . 100 SER HB2 . 7187 1 1082 . 1 1 100 100 SER HB3 H 1 3.774 0.028 . 1 . . . . 100 SER HB3 . 7187 1 1083 . 1 1 100 100 SER C C 13 170.655 0.1 . 1 . . . . 100 SER C . 7187 1 1084 . 1 1 100 100 SER CA C 13 58.09 0.061 . 1 . . . . 100 SER CA . 7187 1 1085 . 1 1 100 100 SER CB C 13 64.135 0.145 . 1 . . . . 100 SER CB . 7187 1 1086 . 1 1 100 100 SER N N 15 114.866 0.034 . 1 . . . . 100 SER N . 7187 1 1087 . 1 1 101 101 ASN H H 1 8.09 0.004 . 1 . . . . 101 ASN H . 7187 1 1088 . 1 1 101 101 ASN HA H 1 4.477 0.001 . 1 . . . . 101 ASN HA . 7187 1 1089 . 1 1 101 101 ASN HB2 H 1 2.666 0.036 . 2 . . . . 101 ASN HB2 . 7187 1 1090 . 1 1 101 101 ASN HB3 H 1 2.789 0.011 . 2 . . . . 101 ASN HB3 . 7187 1 1091 . 1 1 101 101 ASN HD21 H 1 6.867 0.01 . 2 . . . . 101 ASN HD21 . 7187 1 1092 . 1 1 101 101 ASN HD22 H 1 7.545 0.01 . 2 . . . . 101 ASN HD22 . 7187 1 1093 . 1 1 101 101 ASN CA C 13 54.941 0.018 . 1 . . . . 101 ASN CA . 7187 1 1094 . 1 1 101 101 ASN CB C 13 40.305 0.053 . 1 . . . . 101 ASN CB . 7187 1 1095 . 1 1 101 101 ASN N N 15 125.673 0.093 . 1 . . . . 101 ASN N . 7187 1 1096 . 1 1 101 101 ASN ND2 N 15 112.5 0.1 . 1 . . . . 101 ASN ND2 . 7187 1 stop_ save_