data_18507 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18507 _Entry.Title ; Solution NMR structure of the apo-form of the beta2 carbohydrate module of AMP-activated protein kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-08 _Entry.Accession_date 2012-06-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Paul Gooley . . . 18507 2 Ann Koay . . . 18507 3 David Stapleton . . . 18507 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18507 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AMPK . 18507 'carbohydrate binding module' . 18507 CBM . 18507 'glycogen binding' . 18507 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18507 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 397 18507 '15N chemical shifts' 103 18507 '1H chemical shifts' 699 18507 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-24 2012-06-08 update BMRB 'update entry citation' 18507 1 . . 2012-08-23 2012-06-08 original author 'original release' 18507 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18508 'apo-form of the beta2 carbohydrate module of AMP-activated protein kinase' 18507 PDB 2LU3 'BMRB Entry Tracking System' 18507 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18507 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22339867 _Citation.Full_citation . _Citation.Title 'AMP-activated protein kinase beta-subunit requires internal motion for optimal carbohydrate binding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 102 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 305 _Citation.Page_last 314 _Citation.Year 2012 _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 Michael Bieri . . . 18507 1 2 Jesse Mobbs . I. . 18507 1 3 Ann Koay . . . 18507 1 4 Gavin Louey . . . 18507 1 5 Yee-Foong Mok . . . 18507 1 6 Danny Hatters . M. . 18507 1 7 Jong-Tae Park . . . 18507 1 8 Kwan-Hwa Park . . . 18507 1 9 Dietbert Neumann . . . 18507 1 10 David Stapleton . . . 18507 1 11 Paul Gooley . R. . 18507 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18507 _Assembly.ID 1 _Assembly.Name 'beta2 carbohydrate module of AMP-activated protein kinase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'beta2 carbohydrate module of AMP-activated protein kinase' 1 $entity A . yes native no no . . . 18507 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18507 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGIRNSDSVKPTQQARPT VIRWSEGGKEVFISGSFNNW STKIPLIKSHNDFVAILDLP EGEHQYKFFVDGQWVHDPSE PVVTSQLGTINNLIHVKKSD FEVFD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11826.329 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18508 . entity . . . . . 100.00 105 100.00 100.00 8.34e-70 . . . . 18507 1 2 no PDB 2F15 . "Glycogen-Binding Domain Of The Amp-Activated Protein Kinase Beta2 Subunit" . . . . . 90.48 96 100.00 100.00 1.27e-61 . . . . 18507 1 3 no PDB 2LU3 . "Solution Nmr Structure Of The Apo-form Of The Beta2 Carbohydrate Module Of Amp-activated Protein Kinase" . . . . . 100.00 105 100.00 100.00 8.34e-70 . . . . 18507 1 4 no PDB 2LU4 . "Solution Nmr Structure Of The Beta2 Carbohydrate Module Of Amp- Activated Protein Kinase Bound To Glucosyl-cyclodextrin" . . . . . 100.00 105 100.00 100.00 8.34e-70 . . . . 18507 1 5 no PDB 4RER . "Crystal Structure Of The Phosphorylated Human Alpha1 Beta2 Gamma1 Holo-ampk Complex Bound To Amp And Cyclodextrin" . . . . . 84.76 197 98.88 98.88 6.86e-57 . . . . 18507 1 6 no PDB 4REW . "Crystal Structure Of The Non-phosphorylated Human Alpha1 Beta2 Gamma1 Holo-ampk Complex" . . . . . 84.76 197 100.00 100.00 1.20e-57 . . . . 18507 1 7 no PDB 4Y0G . "Beta2 Carbohydrate Binding Module (cbm) Of Amp-activated Protein Kinase (ampk)" . . . . . 80.95 90 97.65 97.65 8.84e-53 . . . . 18507 1 8 no PDB 4YEE . "Beta2 Carbohydrate Binding Module (cbm) Of Amp-activated Protein Kinase (ampk) In Complex With Glucosyl-beta-cyclodextrin" . . . . . 80.95 90 97.65 97.65 8.84e-53 . . . . 18507 1 9 no DBJ BAE90075 . "unnamed protein product [Macaca fascicularis]" . . . . . 54.29 190 100.00 100.00 2.65e-32 . . . . 18507 1 10 no DBJ BAF85509 . "unnamed protein product [Homo sapiens]" . . . . . 92.38 272 100.00 100.00 1.24e-62 . . . . 18507 1 11 no EMBL CAA12030 . "AMP-activated protein kinase beta 2 subunit [Homo sapiens]" . . . . . 92.38 272 100.00 100.00 1.24e-62 . . . . 18507 1 12 no EMBL CAH72644 . "protein kinase, AMP-activated, beta 2 non-catalytic subunit [Homo sapiens]" . . . . . 92.38 272 100.00 100.00 1.24e-62 . . . . 18507 1 13 no EMBL CAH90491 . "hypothetical protein [Pongo abelii]" . . . . . 54.29 190 100.00 100.00 3.82e-32 . . . . 18507 1 14 no GB AAF01293 . "AMP-activated protein kinase beta-2 regulatory subunit [Rattus norvegicus]" . . . . . 92.38 271 100.00 100.00 1.78e-62 . . . . 18507 1 15 no GB AAH53610 . "Protein kinase, AMP-activated, beta 2 non-catalytic subunit [Homo sapiens]" . . . . . 92.38 272 100.00 100.00 1.24e-62 . . . . 18507 1 16 no GB AAH60228 . "Protein kinase, AMP-activated, beta 2 non-catalytic subunit [Mus musculus]" . . . . . 92.38 271 98.97 98.97 8.75e-62 . . . . 18507 1 17 no GB AAH78821 . "Prkab2 protein [Rattus norvegicus]" . . . . . 92.38 179 100.00 100.00 4.50e-63 . . . . 18507 1 18 no GB AAM74153 . "AMPK beta-2 subunit [Homo sapiens]" . . . . . 92.38 272 100.00 100.00 1.24e-62 . . . . 18507 1 19 no REF NP_001075383 . "5'-AMP-activated protein kinase subunit beta-2 [Equus caballus]" . . . . . 92.38 272 100.00 100.00 1.36e-62 . . . . 18507 1 20 no REF NP_001125257 . "5'-AMP-activated protein kinase subunit beta-2 [Pongo abelii]" . . . . . 54.29 190 100.00 100.00 3.82e-32 . . . . 18507 1 21 no REF NP_001179257 . "5'-AMP-activated protein kinase subunit beta-2 [Bos taurus]" . . . . . 92.38 272 100.00 100.00 1.39e-62 . . . . 18507 1 22 no REF NP_001230612 . "5'-AMP-activated protein kinase subunit beta-2 [Sus scrofa]" . . . . . 92.38 272 100.00 100.00 1.18e-62 . . . . 18507 1 23 no REF NP_005390 . "5'-AMP-activated protein kinase subunit beta-2 [Homo sapiens]" . . . . . 92.38 272 100.00 100.00 1.24e-62 . . . . 18507 1 24 no SP O43741 . "RecName: Full=5'-AMP-activated protein kinase subunit beta-2; Short=AMPK subunit beta-2" . . . . . 92.38 272 100.00 100.00 1.24e-62 . . . . 18507 1 25 no SP Q6PAM0 . "RecName: Full=5'-AMP-activated protein kinase subunit beta-2; Short=AMPK subunit beta-2" . . . . . 92.38 271 98.97 98.97 8.75e-62 . . . . 18507 1 26 no SP Q9QZH4 . "RecName: Full=5'-AMP-activated protein kinase subunit beta-2; Short=AMPK subunit beta-2" . . . . . 92.38 271 100.00 100.00 1.78e-62 . . . . 18507 1 27 no TPG DAA31622 . "TPA: AMP-activated protein kinase beta 2 non-catalytic subunit-like [Bos taurus]" . . . . . 92.38 272 100.00 100.00 1.39e-62 . . . . 18507 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18507 1 2 . ALA . 18507 1 3 . MET . 18507 1 4 . GLY . 18507 1 5 . ILE . 18507 1 6 . ARG . 18507 1 7 . ASN . 18507 1 8 . SER . 18507 1 9 . ASP . 18507 1 10 . SER . 18507 1 11 . VAL . 18507 1 12 . LYS . 18507 1 13 . PRO . 18507 1 14 . THR . 18507 1 15 . GLN . 18507 1 16 . GLN . 18507 1 17 . ALA . 18507 1 18 . ARG . 18507 1 19 . PRO . 18507 1 20 . THR . 18507 1 21 . VAL . 18507 1 22 . ILE . 18507 1 23 . ARG . 18507 1 24 . TRP . 18507 1 25 . SER . 18507 1 26 . GLU . 18507 1 27 . GLY . 18507 1 28 . GLY . 18507 1 29 . LYS . 18507 1 30 . GLU . 18507 1 31 . VAL . 18507 1 32 . PHE . 18507 1 33 . ILE . 18507 1 34 . SER . 18507 1 35 . GLY . 18507 1 36 . SER . 18507 1 37 . PHE . 18507 1 38 . ASN . 18507 1 39 . ASN . 18507 1 40 . TRP . 18507 1 41 . SER . 18507 1 42 . THR . 18507 1 43 . LYS . 18507 1 44 . ILE . 18507 1 45 . PRO . 18507 1 46 . LEU . 18507 1 47 . ILE . 18507 1 48 . LYS . 18507 1 49 . SER . 18507 1 50 . HIS . 18507 1 51 . ASN . 18507 1 52 . ASP . 18507 1 53 . PHE . 18507 1 54 . VAL . 18507 1 55 . ALA . 18507 1 56 . ILE . 18507 1 57 . LEU . 18507 1 58 . ASP . 18507 1 59 . LEU . 18507 1 60 . PRO . 18507 1 61 . GLU . 18507 1 62 . GLY . 18507 1 63 . GLU . 18507 1 64 . HIS . 18507 1 65 . GLN . 18507 1 66 . TYR . 18507 1 67 . LYS . 18507 1 68 . PHE . 18507 1 69 . PHE . 18507 1 70 . VAL . 18507 1 71 . ASP . 18507 1 72 . GLY . 18507 1 73 . GLN . 18507 1 74 . TRP . 18507 1 75 . VAL . 18507 1 76 . HIS . 18507 1 77 . ASP . 18507 1 78 . PRO . 18507 1 79 . SER . 18507 1 80 . GLU . 18507 1 81 . PRO . 18507 1 82 . VAL . 18507 1 83 . VAL . 18507 1 84 . THR . 18507 1 85 . SER . 18507 1 86 . GLN . 18507 1 87 . LEU . 18507 1 88 . GLY . 18507 1 89 . THR . 18507 1 90 . ILE . 18507 1 91 . ASN . 18507 1 92 . ASN . 18507 1 93 . LEU . 18507 1 94 . ILE . 18507 1 95 . HIS . 18507 1 96 . VAL . 18507 1 97 . LYS . 18507 1 98 . LYS . 18507 1 99 . SER . 18507 1 100 . ASP . 18507 1 101 . PHE . 18507 1 102 . GLU . 18507 1 103 . VAL . 18507 1 104 . PHE . 18507 1 105 . ASP . 18507 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18507 1 . ALA 2 2 18507 1 . MET 3 3 18507 1 . GLY 4 4 18507 1 . ILE 5 5 18507 1 . ARG 6 6 18507 1 . ASN 7 7 18507 1 . SER 8 8 18507 1 . ASP 9 9 18507 1 . SER 10 10 18507 1 . VAL 11 11 18507 1 . LYS 12 12 18507 1 . PRO 13 13 18507 1 . THR 14 14 18507 1 . GLN 15 15 18507 1 . GLN 16 16 18507 1 . ALA 17 17 18507 1 . ARG 18 18 18507 1 . PRO 19 19 18507 1 . THR 20 20 18507 1 . VAL 21 21 18507 1 . ILE 22 22 18507 1 . ARG 23 23 18507 1 . TRP 24 24 18507 1 . SER 25 25 18507 1 . GLU 26 26 18507 1 . GLY 27 27 18507 1 . GLY 28 28 18507 1 . LYS 29 29 18507 1 . GLU 30 30 18507 1 . VAL 31 31 18507 1 . PHE 32 32 18507 1 . ILE 33 33 18507 1 . SER 34 34 18507 1 . GLY 35 35 18507 1 . SER 36 36 18507 1 . PHE 37 37 18507 1 . ASN 38 38 18507 1 . ASN 39 39 18507 1 . TRP 40 40 18507 1 . SER 41 41 18507 1 . THR 42 42 18507 1 . LYS 43 43 18507 1 . ILE 44 44 18507 1 . PRO 45 45 18507 1 . LEU 46 46 18507 1 . ILE 47 47 18507 1 . LYS 48 48 18507 1 . SER 49 49 18507 1 . HIS 50 50 18507 1 . ASN 51 51 18507 1 . ASP 52 52 18507 1 . PHE 53 53 18507 1 . VAL 54 54 18507 1 . ALA 55 55 18507 1 . ILE 56 56 18507 1 . LEU 57 57 18507 1 . ASP 58 58 18507 1 . LEU 59 59 18507 1 . PRO 60 60 18507 1 . GLU 61 61 18507 1 . GLY 62 62 18507 1 . GLU 63 63 18507 1 . HIS 64 64 18507 1 . GLN 65 65 18507 1 . TYR 66 66 18507 1 . LYS 67 67 18507 1 . PHE 68 68 18507 1 . PHE 69 69 18507 1 . VAL 70 70 18507 1 . ASP 71 71 18507 1 . GLY 72 72 18507 1 . GLN 73 73 18507 1 . TRP 74 74 18507 1 . VAL 75 75 18507 1 . HIS 76 76 18507 1 . ASP 77 77 18507 1 . PRO 78 78 18507 1 . SER 79 79 18507 1 . GLU 80 80 18507 1 . PRO 81 81 18507 1 . VAL 82 82 18507 1 . VAL 83 83 18507 1 . THR 84 84 18507 1 . SER 85 85 18507 1 . GLN 86 86 18507 1 . LEU 87 87 18507 1 . GLY 88 88 18507 1 . THR 89 89 18507 1 . ILE 90 90 18507 1 . ASN 91 91 18507 1 . ASN 92 92 18507 1 . LEU 93 93 18507 1 . ILE 94 94 18507 1 . HIS 95 95 18507 1 . VAL 96 96 18507 1 . LYS 97 97 18507 1 . LYS 98 98 18507 1 . SER 99 99 18507 1 . ASP 100 100 18507 1 . PHE 101 101 18507 1 . GLU 102 102 18507 1 . VAL 103 103 18507 1 . PHE 104 104 18507 1 . ASP 105 105 18507 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 18507 _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 $entity . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 18507 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 18507 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pProEXHTc . . . 'N-terminal His-tag followed by TEV protease cleavage site. First 8 residues (GAMGIRNS) are non-natural.' . . 18507 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18507 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 15N]' . . 1 $entity . . 0.7 . . mM 0.1 . . . 18507 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18507 1 3 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 18507 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18507 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18507 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18507 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 0.7 . . mM 0.1 . . . 18507 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18507 2 3 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 18507 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18507 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18507 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18507 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 0.7 . . mM .1 . . . 18507 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18507 3 3 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 18507 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18507 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18507 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 0.7 . . mM 0.1 . . . 18507 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18507 4 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18507 4 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18507 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 18507 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-10% 13C]' . . 1 $entity . . 0.7 . . mM .1 . . . 18507 5 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18507 5 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18507 5 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18507 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18507 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 18507 1 pH 6.9 . pH 18507 1 pressure 1 . atm 18507 1 temperature 298 . K 18507 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18507 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18507 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18507 1 'structure solution' 18507 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18507 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18507 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18507 2 'peak picking' 18507 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18507 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18507 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18507 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18507 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18507 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18507 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18507 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18507 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18507 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18507 1 2 spectrometer_2 Bruker Avance . 600 . . . 18507 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18507 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18507 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18507 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18507 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18507 1 5 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18507 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18507 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18507 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18507 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18507 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18507 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18507 1 12 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18507 1 13 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18507 1 14 '3D HACAHB-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18507 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18507 1 16 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18507 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18507 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . . . . . 18507 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18507 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 18507 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18507 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 18507 1 2 '3D HNCACB' . . . 18507 1 3 '3D HNCO' . . . 18507 1 4 '3D HBHA(CO)NH' . . . 18507 1 5 '3D H(CCO)NH' . . . 18507 1 6 '3D C(CO)NH' . . . 18507 1 7 '3D HCCH-TOCSY' . . . 18507 1 8 '2D 1H-1H TOCSY' . . . 18507 1 9 '2D 1H-1H NOESY' . . . 18507 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 GLY HA2 H 1 3.665 0.000 . 2 . . . A 1 GLY HA2 . 18507 1 2 . 1 1 1 1 GLY HA3 H 1 3.781 0.008 . 2 . . . A 1 GLY HA3 . 18507 1 3 . 1 1 1 1 GLY C C 13 169.326 0.000 . 1 . . . A 1 GLY C . 18507 1 4 . 1 1 1 1 GLY CA C 13 43.431 0.114 . 1 . . . A 1 GLY CA . 18507 1 5 . 1 1 2 2 ALA H H 1 8.252 0.002 . 1 . . . A 2 ALA H . 18507 1 6 . 1 1 2 2 ALA HA H 1 4.336 0.001 . 1 . . . A 2 ALA HA . 18507 1 7 . 1 1 2 2 ALA HB1 H 1 1.365 0.004 . 1 . . . A 2 ALA HB1 . 18507 1 8 . 1 1 2 2 ALA HB2 H 1 1.365 0.004 . 1 . . . A 2 ALA HB2 . 18507 1 9 . 1 1 2 2 ALA HB3 H 1 1.365 0.004 . 1 . . . A 2 ALA HB3 . 18507 1 10 . 1 1 2 2 ALA C C 13 177.730 0.000 . 1 . . . A 2 ALA C . 18507 1 11 . 1 1 2 2 ALA CA C 13 52.590 0.024 . 1 . . . A 2 ALA CA . 18507 1 12 . 1 1 2 2 ALA CB C 13 19.509 0.171 . 1 . . . A 2 ALA CB . 18507 1 13 . 1 1 2 2 ALA N N 15 129.609 0.027 . 1 . . . A 2 ALA N . 18507 1 14 . 1 1 3 3 MET H H 1 8.526 0.004 . 1 . . . A 3 MET H . 18507 1 15 . 1 1 3 3 MET HA H 1 4.457 0.004 . 1 . . . A 3 MET HA . 18507 1 16 . 1 1 3 3 MET HB2 H 1 2.001 0.002 . 2 . . . A 3 MET HB2 . 18507 1 17 . 1 1 3 3 MET HB3 H 1 2.070 0.006 . 2 . . . A 3 MET HB3 . 18507 1 18 . 1 1 3 3 MET HG2 H 1 2.533 0.015 . 2 . . . A 3 MET HG2 . 18507 1 19 . 1 1 3 3 MET HG3 H 1 2.596 0.003 . 2 . . . A 3 MET HG3 . 18507 1 20 . 1 1 3 3 MET HE1 H 1 1.611 0.000 . 1 . . . A 3 MET HE1 . 18507 1 21 . 1 1 3 3 MET HE2 H 1 1.756 0.000 . 1 . . . A 3 MET HE2 . 18507 1 22 . 1 1 3 3 MET HE3 H 1 1.611 0.000 . 1 . . . A 3 MET HE3 . 18507 1 23 . 1 1 3 3 MET C C 13 176.640 0.000 . 1 . . . A 3 MET C . 18507 1 24 . 1 1 3 3 MET CA C 13 55.433 0.098 . 1 . . . A 3 MET CA . 18507 1 25 . 1 1 3 3 MET CB C 13 32.141 0.462 . 1 . . . A 3 MET CB . 18507 1 26 . 1 1 3 3 MET CG C 13 32.025 0.097 . 1 . . . A 3 MET CG . 18507 1 27 . 1 1 3 3 MET N N 15 119.597 0.047 . 1 . . . A 3 MET N . 18507 1 28 . 1 1 4 4 GLY H H 1 8.388 0.001 . 1 . . . A 4 GLY H . 18507 1 29 . 1 1 4 4 GLY HA2 H 1 3.924 0.002 . 2 . . . A 4 GLY HA2 . 18507 1 30 . 1 1 4 4 GLY C C 13 173.846 0.000 . 1 . . . A 4 GLY C . 18507 1 31 . 1 1 4 4 GLY CA C 13 45.289 0.002 . 1 . . . A 4 GLY CA . 18507 1 32 . 1 1 4 4 GLY N N 15 110.104 0.030 . 1 . . . A 4 GLY N . 18507 1 33 . 1 1 5 5 ILE H H 1 7.995 0.002 . 1 . . . A 5 ILE H . 18507 1 34 . 1 1 5 5 ILE HA H 1 4.142 0.010 . 1 . . . A 5 ILE HA . 18507 1 35 . 1 1 5 5 ILE HB H 1 1.824 0.004 . 1 . . . A 5 ILE HB . 18507 1 36 . 1 1 5 5 ILE HG12 H 1 1.409 0.005 . 2 . . . A 5 ILE HG12 . 18507 1 37 . 1 1 5 5 ILE HG13 H 1 1.135 0.007 . 2 . . . A 5 ILE HG13 . 18507 1 38 . 1 1 5 5 ILE HG21 H 1 0.861 0.004 . 1 . . . A 5 ILE HG21 . 18507 1 39 . 1 1 5 5 ILE HG22 H 1 0.861 0.004 . 1 . . . A 5 ILE HG22 . 18507 1 40 . 1 1 5 5 ILE HG23 H 1 0.861 0.004 . 1 . . . A 5 ILE HG23 . 18507 1 41 . 1 1 5 5 ILE HD11 H 1 0.813 0.007 . 1 . . . A 5 ILE HD11 . 18507 1 42 . 1 1 5 5 ILE HD12 H 1 0.813 0.007 . 1 . . . A 5 ILE HD12 . 18507 1 43 . 1 1 5 5 ILE HD13 H 1 0.813 0.007 . 1 . . . A 5 ILE HD13 . 18507 1 44 . 1 1 5 5 ILE C C 13 176.245 0.000 . 1 . . . A 5 ILE C . 18507 1 45 . 1 1 5 5 ILE CA C 13 60.706 0.346 . 1 . . . A 5 ILE CA . 18507 1 46 . 1 1 5 5 ILE CB C 13 38.686 0.058 . 1 . . . A 5 ILE CB . 18507 1 47 . 1 1 5 5 ILE CG1 C 13 27.238 0.128 . 1 . . . A 5 ILE CG1 . 18507 1 48 . 1 1 5 5 ILE CG2 C 13 17.716 0.225 . 1 . . . A 5 ILE CG2 . 18507 1 49 . 1 1 5 5 ILE CD1 C 13 12.919 0.274 . 1 . . . A 5 ILE CD1 . 18507 1 50 . 1 1 5 5 ILE N N 15 120.177 0.091 . 1 . . . A 5 ILE N . 18507 1 51 . 1 1 6 6 ARG H H 1 8.451 0.017 . 1 . . . A 6 ARG H . 18507 1 52 . 1 1 6 6 ARG HA H 1 4.347 0.018 . 1 . . . A 6 ARG HA . 18507 1 53 . 1 1 6 6 ARG HB2 H 1 1.834 0.024 . 2 . . . A 6 ARG HB2 . 18507 1 54 . 1 1 6 6 ARG HB3 H 1 1.725 0.005 . 2 . . . A 6 ARG HB3 . 18507 1 55 . 1 1 6 6 ARG HG2 H 1 1.679 0.002 . 2 . . . A 6 ARG HG2 . 18507 1 56 . 1 1 6 6 ARG HG3 H 1 1.598 0.012 . 2 . . . A 6 ARG HG3 . 18507 1 57 . 1 1 6 6 ARG HD2 H 1 3.199 0.001 . 2 . . . A 6 ARG HD2 . 18507 1 58 . 1 1 6 6 ARG HD3 H 1 3.149 0.011 . 2 . . . A 6 ARG HD3 . 18507 1 59 . 1 1 6 6 ARG C C 13 174.908 0.000 . 1 . . . A 6 ARG C . 18507 1 60 . 1 1 6 6 ARG CA C 13 55.812 0.064 . 1 . . . A 6 ARG CA . 18507 1 61 . 1 1 6 6 ARG CB C 13 30.829 0.131 . 1 . . . A 6 ARG CB . 18507 1 62 . 1 1 6 6 ARG CG C 13 26.552 0.246 . 1 . . . A 6 ARG CG . 18507 1 63 . 1 1 6 6 ARG CD C 13 43.202 0.071 . 1 . . . A 6 ARG CD . 18507 1 64 . 1 1 6 6 ARG N N 15 125.295 0.032 . 1 . . . A 6 ARG N . 18507 1 65 . 1 1 7 7 ASN H H 1 8.072 0.003 . 1 . . . A 7 ASN H . 18507 1 66 . 1 1 7 7 ASN HA H 1 4.483 0.002 . 1 . . . A 7 ASN HA . 18507 1 67 . 1 1 7 7 ASN HB2 H 1 2.794 0.002 . 2 . . . A 7 ASN HB2 . 18507 1 68 . 1 1 7 7 ASN HB3 H 1 2.758 0.014 . 2 . . . A 7 ASN HB3 . 18507 1 69 . 1 1 7 7 ASN C C 13 175.993 0.000 . 1 . . . A 7 ASN C . 18507 1 70 . 1 1 7 7 ASN CA C 13 54.699 0.059 . 1 . . . A 7 ASN CA . 18507 1 71 . 1 1 7 7 ASN CB C 13 40.744 0.082 . 1 . . . A 7 ASN CB . 18507 1 72 . 1 1 7 7 ASN N N 15 125.979 0.088 . 1 . . . A 7 ASN N . 18507 1 73 . 1 1 8 8 SER H H 1 8.363 0.008 . 1 . . . A 8 SER H . 18507 1 74 . 1 1 8 8 SER C C 13 174.402 0.000 . 1 . . . A 8 SER C . 18507 1 75 . 1 1 8 8 SER CA C 13 58.678 0.056 . 1 . . . A 8 SER CA . 18507 1 76 . 1 1 8 8 SER CB C 13 63.735 0.135 . 1 . . . A 8 SER CB . 18507 1 77 . 1 1 8 8 SER N N 15 120.939 0.047 . 1 . . . A 8 SER N . 18507 1 78 . 1 1 9 9 ASP H H 1 8.334 0.006 . 1 . . . A 9 ASP H . 18507 1 79 . 1 1 9 9 ASP HA H 1 4.612 0.009 . 1 . . . A 9 ASP HA . 18507 1 80 . 1 1 9 9 ASP HB2 H 1 2.675 0.005 . 2 . . . A 9 ASP HB2 . 18507 1 81 . 1 1 9 9 ASP HB3 H 1 2.649 0.011 . 2 . . . A 9 ASP HB3 . 18507 1 82 . 1 1 9 9 ASP C C 13 176.302 0.000 . 1 . . . A 9 ASP C . 18507 1 83 . 1 1 9 9 ASP CA C 13 54.667 0.009 . 1 . . . A 9 ASP CA . 18507 1 84 . 1 1 9 9 ASP CB C 13 41.092 0.058 . 1 . . . A 9 ASP CB . 18507 1 85 . 1 1 9 9 ASP N N 15 122.169 0.049 . 1 . . . A 9 ASP N . 18507 1 86 . 1 1 10 10 SER H H 1 8.130 0.003 . 1 . . . A 10 SER H . 18507 1 87 . 1 1 10 10 SER HA H 1 4.408 0.011 . 1 . . . A 10 SER HA . 18507 1 88 . 1 1 10 10 SER HB2 H 1 4.409 0.000 . 2 . . . A 10 SER HB2 . 18507 1 89 . 1 1 10 10 SER HB3 H 1 3.833 0.008 . 2 . . . A 10 SER HB3 . 18507 1 90 . 1 1 10 10 SER C C 13 174.338 0.000 . 1 . . . A 10 SER C . 18507 1 91 . 1 1 10 10 SER CA C 13 58.421 0.162 . 1 . . . A 10 SER CA . 18507 1 92 . 1 1 10 10 SER CB C 13 63.749 0.119 . 1 . . . A 10 SER CB . 18507 1 93 . 1 1 10 10 SER N N 15 115.330 0.083 . 1 . . . A 10 SER N . 18507 1 94 . 1 1 11 11 VAL H H 1 8.040 0.005 . 1 . . . A 11 VAL H . 18507 1 95 . 1 1 11 11 VAL HA H 1 4.088 0.005 . 1 . . . A 11 VAL HA . 18507 1 96 . 1 1 11 11 VAL HB H 1 2.039 0.005 . 1 . . . A 11 VAL HB . 18507 1 97 . 1 1 11 11 VAL HG11 H 1 0.880 0.003 . 2 . . . A 11 VAL HG11 . 18507 1 98 . 1 1 11 11 VAL HG12 H 1 0.880 0.003 . 2 . . . A 11 VAL HG12 . 18507 1 99 . 1 1 11 11 VAL HG13 H 1 0.880 0.003 . 2 . . . A 11 VAL HG13 . 18507 1 100 . 1 1 11 11 VAL HG21 H 1 0.885 0.005 . 2 . . . A 11 VAL HG21 . 18507 1 101 . 1 1 11 11 VAL HG22 H 1 0.885 0.005 . 2 . . . A 11 VAL HG22 . 18507 1 102 . 1 1 11 11 VAL HG23 H 1 0.885 0.005 . 2 . . . A 11 VAL HG23 . 18507 1 103 . 1 1 11 11 VAL C C 13 175.837 0.000 . 1 . . . A 11 VAL C . 18507 1 104 . 1 1 11 11 VAL CA C 13 61.972 0.357 . 1 . . . A 11 VAL CA . 18507 1 105 . 1 1 11 11 VAL CB C 13 32.508 0.082 . 1 . . . A 11 VAL CB . 18507 1 106 . 1 1 11 11 VAL CG1 C 13 21.257 0.168 . 2 . . . A 11 VAL CG1 . 18507 1 107 . 1 1 11 11 VAL CG2 C 13 20.722 0.225 . 2 . . . A 11 VAL CG2 . 18507 1 108 . 1 1 11 11 VAL N N 15 121.719 0.035 . 1 . . . A 11 VAL N . 18507 1 109 . 1 1 12 12 LYS H H 1 8.349 0.003 . 1 . . . A 12 LYS H . 18507 1 110 . 1 1 12 12 LYS N N 15 126.544 0.030 . 1 . . . A 12 LYS N . 18507 1 111 . 1 1 13 13 PRO HA H 1 4.459 0.004 . 1 . . . A 13 PRO HA . 18507 1 112 . 1 1 13 13 PRO HB2 H 1 2.272 0.006 . 2 . . . A 13 PRO HB2 . 18507 1 113 . 1 1 13 13 PRO HB3 H 1 1.887 0.007 . 2 . . . A 13 PRO HB3 . 18507 1 114 . 1 1 13 13 PRO HG2 H 1 1.982 0.004 . 2 . . . A 13 PRO HG2 . 18507 1 115 . 1 1 13 13 PRO HD2 H 1 3.622 0.005 . 2 . . . A 13 PRO HD2 . 18507 1 116 . 1 1 13 13 PRO HD3 H 1 3.812 0.006 . 2 . . . A 13 PRO HD3 . 18507 1 117 . 1 1 13 13 PRO C C 13 177.038 0.000 . 1 . . . A 13 PRO C . 18507 1 118 . 1 1 13 13 PRO CA C 13 62.868 0.321 . 1 . . . A 13 PRO CA . 18507 1 119 . 1 1 13 13 PRO CB C 13 32.182 0.095 . 1 . . . A 13 PRO CB . 18507 1 120 . 1 1 13 13 PRO CG C 13 27.429 0.079 . 1 . . . A 13 PRO CG . 18507 1 121 . 1 1 13 13 PRO CD C 13 50.695 0.105 . 1 . . . A 13 PRO CD . 18507 1 122 . 1 1 14 14 THR H H 1 8.234 0.004 . 1 . . . A 14 THR H . 18507 1 123 . 1 1 14 14 THR HA H 1 4.255 0.006 . 1 . . . A 14 THR HA . 18507 1 124 . 1 1 14 14 THR HB H 1 4.160 0.004 . 1 . . . A 14 THR HB . 18507 1 125 . 1 1 14 14 THR HG21 H 1 1.185 0.007 . 1 . . . A 14 THR HG1 . 18507 1 126 . 1 1 14 14 THR HG22 H 1 1.185 0.007 . 1 . . . A 14 THR HG1 . 18507 1 127 . 1 1 14 14 THR HG23 H 1 1.185 0.007 . 1 . . . A 14 THR HG1 . 18507 1 128 . 1 1 14 14 THR C C 13 174.477 0.000 . 1 . . . A 14 THR C . 18507 1 129 . 1 1 14 14 THR CA C 13 61.813 0.265 . 1 . . . A 14 THR CA . 18507 1 130 . 1 1 14 14 THR CB C 13 69.675 0.282 . 1 . . . A 14 THR CB . 18507 1 131 . 1 1 14 14 THR CG2 C 13 21.821 0.000 . 1 . . . A 14 THR CG2 . 18507 1 132 . 1 1 14 14 THR N N 15 114.515 0.094 . 1 . . . A 14 THR N . 18507 1 133 . 1 1 15 15 GLN H H 1 8.380 0.005 . 1 . . . A 15 GLN H . 18507 1 134 . 1 1 15 15 GLN HA H 1 4.346 0.006 . 1 . . . A 15 GLN HA . 18507 1 135 . 1 1 15 15 GLN HB2 H 1 1.936 0.005 . 2 . . . A 15 GLN HB2 . 18507 1 136 . 1 1 15 15 GLN HB3 H 1 2.044 0.005 . 2 . . . A 15 GLN HB3 . 18507 1 137 . 1 1 15 15 GLN HG2 H 1 2.297 0.010 . 2 . . . A 15 GLN HG2 . 18507 1 138 . 1 1 15 15 GLN HG3 H 1 2.293 0.011 . 2 . . . A 15 GLN HG3 . 18507 1 139 . 1 1 15 15 GLN HE21 H 1 6.881 0.000 . 2 . . . A 15 GLN HE21 . 18507 1 140 . 1 1 15 15 GLN HE22 H 1 7.559 0.002 . 2 . . . A 15 GLN HE22 . 18507 1 141 . 1 1 15 15 GLN C C 13 175.452 0.000 . 1 . . . A 15 GLN C . 18507 1 142 . 1 1 15 15 GLN CA C 13 55.562 0.099 . 1 . . . A 15 GLN CA . 18507 1 143 . 1 1 15 15 GLN CB C 13 29.535 0.612 . 1 . . . A 15 GLN CB . 18507 1 144 . 1 1 15 15 GLN CG C 13 33.729 0.129 . 1 . . . A 15 GLN CG . 18507 1 145 . 1 1 15 15 GLN N N 15 122.586 0.046 . 1 . . . A 15 GLN N . 18507 1 146 . 1 1 15 15 GLN NE2 N 15 112.371 0.012 . 1 . . . A 15 GLN NE2 . 18507 1 147 . 1 1 16 16 GLN H H 1 8.457 0.004 . 1 . . . A 16 GLN H . 18507 1 148 . 1 1 16 16 GLN HA H 1 4.260 0.006 . 1 . . . A 16 GLN HA . 18507 1 149 . 1 1 16 16 GLN HB2 H 1 1.982 0.005 . 2 . . . A 16 GLN HB2 . 18507 1 150 . 1 1 16 16 GLN HB3 H 1 1.865 0.003 . 2 . . . A 16 GLN HB3 . 18507 1 151 . 1 1 16 16 GLN HG2 H 1 2.271 0.007 . 2 . . . A 16 GLN HG2 . 18507 1 152 . 1 1 16 16 GLN C C 13 175.050 0.000 . 1 . . . A 16 GLN C . 18507 1 153 . 1 1 16 16 GLN CA C 13 55.542 0.099 . 1 . . . A 16 GLN CA . 18507 1 154 . 1 1 16 16 GLN CB C 13 29.726 0.087 . 1 . . . A 16 GLN CB . 18507 1 155 . 1 1 16 16 GLN CG C 13 33.673 0.127 . 1 . . . A 16 GLN CG . 18507 1 156 . 1 1 16 16 GLN N N 15 122.137 0.045 . 1 . . . A 16 GLN N . 18507 1 157 . 1 1 17 17 ALA H H 1 8.323 0.006 . 1 . . . A 17 ALA H . 18507 1 158 . 1 1 17 17 ALA HA H 1 4.311 0.006 . 1 . . . A 17 ALA HA . 18507 1 159 . 1 1 17 17 ALA HB1 H 1 1.137 0.006 . 1 . . . A 17 ALA HB1 . 18507 1 160 . 1 1 17 17 ALA HB2 H 1 1.137 0.006 . 1 . . . A 17 ALA HB2 . 18507 1 161 . 1 1 17 17 ALA HB3 H 1 1.137 0.006 . 1 . . . A 17 ALA HB3 . 18507 1 162 . 1 1 17 17 ALA C C 13 176.628 0.000 . 1 . . . A 17 ALA C . 18507 1 163 . 1 1 17 17 ALA CA C 13 51.712 0.095 . 1 . . . A 17 ALA CA . 18507 1 164 . 1 1 17 17 ALA CB C 13 19.967 0.227 . 1 . . . A 17 ALA CB . 18507 1 165 . 1 1 17 17 ALA N N 15 125.292 0.031 . 1 . . . A 17 ALA N . 18507 1 166 . 1 1 18 18 ARG H H 1 8.591 0.004 . 1 . . . A 18 ARG H . 18507 1 167 . 1 1 18 18 ARG HA H 1 4.621 0.005 . 1 . . . A 18 ARG HA . 18507 1 168 . 1 1 18 18 ARG HB2 H 1 1.738 0.013 . 2 . . . A 18 ARG HB2 . 18507 1 169 . 1 1 18 18 ARG HB3 H 1 1.625 0.004 . 2 . . . A 18 ARG HB3 . 18507 1 170 . 1 1 18 18 ARG HG2 H 1 1.583 0.013 . 2 . . . A 18 ARG HG2 . 18507 1 171 . 1 1 18 18 ARG HD2 H 1 3.089 0.004 . 2 . . . A 18 ARG HD2 . 18507 1 172 . 1 1 18 18 ARG HD3 H 1 3.150 0.002 . 2 . . . A 18 ARG HD3 . 18507 1 173 . 1 1 18 18 ARG CA C 13 53.226 0.049 . 1 . . . A 18 ARG CA . 18507 1 174 . 1 1 18 18 ARG CB C 13 30.775 0.070 . 1 . . . A 18 ARG CB . 18507 1 175 . 1 1 18 18 ARG CG C 13 26.841 0.110 . 1 . . . A 18 ARG CG . 18507 1 176 . 1 1 18 18 ARG CD C 13 42.965 0.189 . 1 . . . A 18 ARG CD . 18507 1 177 . 1 1 18 18 ARG N N 15 122.106 0.082 . 1 . . . A 18 ARG N . 18507 1 178 . 1 1 19 19 PRO HA H 1 4.584 0.011 . 1 . . . A 19 PRO HA . 18507 1 179 . 1 1 19 19 PRO HB2 H 1 2.055 0.008 . 2 . . . A 19 PRO HB2 . 18507 1 180 . 1 1 19 19 PRO HB3 H 1 1.626 0.012 . 2 . . . A 19 PRO HB3 . 18507 1 181 . 1 1 19 19 PRO HG2 H 1 1.903 0.008 . 2 . . . A 19 PRO HG2 . 18507 1 182 . 1 1 19 19 PRO HG3 H 1 1.903 0.008 . 2 . . . A 19 PRO HG3 . 18507 1 183 . 1 1 19 19 PRO HD2 H 1 3.551 0.004 . 2 . . . A 19 PRO HD2 . 18507 1 184 . 1 1 19 19 PRO HD3 H 1 3.736 0.005 . 2 . . . A 19 PRO HD3 . 18507 1 185 . 1 1 19 19 PRO C C 13 176.098 0.000 . 1 . . . A 19 PRO C . 18507 1 186 . 1 1 19 19 PRO CA C 13 62.961 0.356 . 1 . . . A 19 PRO CA . 18507 1 187 . 1 1 19 19 PRO CB C 13 32.145 0.119 . 1 . . . A 19 PRO CB . 18507 1 188 . 1 1 19 19 PRO CG C 13 27.088 0.166 . 1 . . . A 19 PRO CG . 18507 1 189 . 1 1 19 19 PRO CD C 13 50.838 0.090 . 1 . . . A 19 PRO CD . 18507 1 190 . 1 1 20 20 THR H H 1 9.046 0.005 . 1 . . . A 20 THR H . 18507 1 191 . 1 1 20 20 THR HA H 1 4.228 0.010 . 1 . . . A 20 THR HA . 18507 1 192 . 1 1 20 20 THR HB H 1 3.717 0.003 . 1 . . . A 20 THR HB . 18507 1 193 . 1 1 20 20 THR HG21 H 1 0.941 0.002 . 1 . . . A 20 THR HG21 . 18507 1 194 . 1 1 20 20 THR HG22 H 1 0.941 0.002 . 1 . . . A 20 THR HG22 . 18507 1 195 . 1 1 20 20 THR HG23 H 1 0.941 0.002 . 1 . . . A 20 THR HG23 . 18507 1 196 . 1 1 20 20 THR C C 13 172.413 0.000 . 1 . . . A 20 THR C . 18507 1 197 . 1 1 20 20 THR CA C 13 62.891 0.289 . 1 . . . A 20 THR CA . 18507 1 198 . 1 1 20 20 THR CB C 13 71.036 0.196 . 1 . . . A 20 THR CB . 18507 1 199 . 1 1 20 20 THR CG2 C 13 20.893 0.083 . 1 . . . A 20 THR CG2 . 18507 1 200 . 1 1 20 20 THR N N 15 121.694 0.037 . 1 . . . A 20 THR N . 18507 1 201 . 1 1 21 21 VAL H H 1 8.572 0.004 . 1 . . . A 21 VAL H . 18507 1 202 . 1 1 21 21 VAL HA H 1 4.547 0.008 . 1 . . . A 21 VAL HA . 18507 1 203 . 1 1 21 21 VAL HB H 1 1.902 0.008 . 1 . . . A 21 VAL HB . 18507 1 204 . 1 1 21 21 VAL HG11 H 1 0.755 0.009 . 1 . . . A 21 VAL HG11 . 18507 1 205 . 1 1 21 21 VAL HG12 H 1 0.755 0.009 . 1 . . . A 21 VAL HG12 . 18507 1 206 . 1 1 21 21 VAL HG13 H 1 0.755 0.009 . 1 . . . A 21 VAL HG13 . 18507 1 207 . 1 1 21 21 VAL C C 13 175.345 0.000 . 1 . . . A 21 VAL C . 18507 1 208 . 1 1 21 21 VAL CA C 13 61.780 0.026 . 1 . . . A 21 VAL CA . 18507 1 209 . 1 1 21 21 VAL CB C 13 32.259 0.067 . 1 . . . A 21 VAL CB . 18507 1 210 . 1 1 21 21 VAL CG1 C 13 21.303 0.245 . 2 . . . A 21 VAL CG1 . 18507 1 211 . 1 1 21 21 VAL N N 15 127.141 0.086 . 1 . . . A 21 VAL N . 18507 1 212 . 1 1 22 22 ILE H H 1 8.913 0.005 . 1 . . . A 22 ILE H . 18507 1 213 . 1 1 22 22 ILE HA H 1 4.293 0.005 . 1 . . . A 22 ILE HA . 18507 1 214 . 1 1 22 22 ILE HB H 1 1.455 0.005 . 1 . . . A 22 ILE HB . 18507 1 215 . 1 1 22 22 ILE HG12 H 1 0.967 0.005 . 2 . . . A 22 ILE HG12 . 18507 1 216 . 1 1 22 22 ILE HG13 H 1 0.885 0.005 . 2 . . . A 22 ILE HG13 . 18507 1 217 . 1 1 22 22 ILE HG21 H 1 0.936 0.005 . 1 . . . A 22 ILE HG21 . 18507 1 218 . 1 1 22 22 ILE HG22 H 1 0.936 0.005 . 1 . . . A 22 ILE HG22 . 18507 1 219 . 1 1 22 22 ILE HG23 H 1 0.936 0.005 . 1 . . . A 22 ILE HG23 . 18507 1 220 . 1 1 22 22 ILE HD11 H 1 0.037 0.035 . 1 . . . A 22 ILE HD11 . 18507 1 221 . 1 1 22 22 ILE HD12 H 1 0.037 0.035 . 1 . . . A 22 ILE HD12 . 18507 1 222 . 1 1 22 22 ILE HD13 H 1 0.037 0.035 . 1 . . . A 22 ILE HD13 . 18507 1 223 . 1 1 22 22 ILE C C 13 173.794 0.000 . 1 . . . A 22 ILE C . 18507 1 224 . 1 1 22 22 ILE CA C 13 59.451 0.267 . 1 . . . A 22 ILE CA . 18507 1 225 . 1 1 22 22 ILE CB C 13 39.664 0.043 . 1 . . . A 22 ILE CB . 18507 1 226 . 1 1 22 22 ILE CG1 C 13 27.130 0.091 . 1 . . . A 22 ILE CG1 . 18507 1 227 . 1 1 22 22 ILE CG2 C 13 18.549 0.173 . 1 . . . A 22 ILE CG2 . 18507 1 228 . 1 1 22 22 ILE CD1 C 13 10.967 0.109 . 1 . . . A 22 ILE CD1 . 18507 1 229 . 1 1 22 22 ILE N N 15 130.341 0.019 . 1 . . . A 22 ILE N . 18507 1 230 . 1 1 23 23 ARG H H 1 8.595 0.004 . 1 . . . A 23 ARG H . 18507 1 231 . 1 1 23 23 ARG HA H 1 5.509 0.009 . 1 . . . A 23 ARG HA . 18507 1 232 . 1 1 23 23 ARG HB2 H 1 1.580 0.006 . 2 . . . A 23 ARG HB2 . 18507 1 233 . 1 1 23 23 ARG HB3 H 1 1.685 0.006 . 2 . . . A 23 ARG HB3 . 18507 1 234 . 1 1 23 23 ARG HG2 H 1 1.384 0.007 . 2 . . . A 23 ARG HG2 . 18507 1 235 . 1 1 23 23 ARG HG3 H 1 1.472 0.002 . 2 . . . A 23 ARG HG3 . 18507 1 236 . 1 1 23 23 ARG HD2 H 1 3.006 0.013 . 2 . . . A 23 ARG HD2 . 18507 1 237 . 1 1 23 23 ARG C C 13 174.125 0.000 . 1 . . . A 23 ARG C . 18507 1 238 . 1 1 23 23 ARG CA C 13 54.005 0.061 . 1 . . . A 23 ARG CA . 18507 1 239 . 1 1 23 23 ARG CB C 13 34.584 0.102 . 1 . . . A 23 ARG CB . 18507 1 240 . 1 1 23 23 ARG CG C 13 27.459 0.041 . 1 . . . A 23 ARG CG . 18507 1 241 . 1 1 23 23 ARG CD C 13 43.282 0.147 . 1 . . . A 23 ARG CD . 18507 1 242 . 1 1 23 23 ARG N N 15 125.596 0.070 . 1 . . . A 23 ARG N . 18507 1 243 . 1 1 24 24 TRP H H 1 9.098 0.005 . 1 . . . A 24 TRP H . 18507 1 244 . 1 1 24 24 TRP HA H 1 4.787 0.004 . 1 . . . A 24 TRP HA . 18507 1 245 . 1 1 24 24 TRP HB2 H 1 2.639 0.010 . 2 . . . A 24 TRP HB2 . 18507 1 246 . 1 1 24 24 TRP HB3 H 1 2.837 0.007 . 2 . . . A 24 TRP HB3 . 18507 1 247 . 1 1 24 24 TRP HD1 H 1 6.769 0.003 . 1 . . . A 24 TRP HD1 . 18507 1 248 . 1 1 24 24 TRP HE1 H 1 10.143 0.005 . 1 . . . A 24 TRP HE1 . 18507 1 249 . 1 1 24 24 TRP HE3 H 1 5.854 0.001 . 1 . . . A 24 TRP HE3 . 18507 1 250 . 1 1 24 24 TRP HZ2 H 1 7.233 0.005 . 1 . . . A 24 TRP HZ2 . 18507 1 251 . 1 1 24 24 TRP HZ3 H 1 6.322 0.001 . 1 . . . A 24 TRP HZ3 . 18507 1 252 . 1 1 24 24 TRP HH2 H 1 6.947 0.004 . 1 . . . A 24 TRP HH2 . 18507 1 253 . 1 1 24 24 TRP C C 13 177.208 0.000 . 1 . . . A 24 TRP C . 18507 1 254 . 1 1 24 24 TRP CA C 13 55.974 0.099 . 1 . . . A 24 TRP CA . 18507 1 255 . 1 1 24 24 TRP CB C 13 32.407 0.073 . 1 . . . A 24 TRP CB . 18507 1 256 . 1 1 24 24 TRP N N 15 123.124 0.037 . 1 . . . A 24 TRP N . 18507 1 257 . 1 1 24 24 TRP NE1 N 15 129.392 0.023 . 1 . . . A 24 TRP NE1 . 18507 1 258 . 1 1 25 25 SER H H 1 8.837 0.007 . 1 . . . A 25 SER H . 18507 1 259 . 1 1 25 25 SER HA H 1 4.827 0.010 . 1 . . . A 25 SER HA . 18507 1 260 . 1 1 25 25 SER HB2 H 1 3.605 0.004 . 2 . . . A 25 SER HB2 . 18507 1 261 . 1 1 25 25 SER HB3 H 1 3.720 0.004 . 2 . . . A 25 SER HB3 . 18507 1 262 . 1 1 25 25 SER CA C 13 58.442 0.055 . 1 . . . A 25 SER CA . 18507 1 263 . 1 1 25 25 SER CB C 13 63.993 0.290 . 1 . . . A 25 SER CB . 18507 1 264 . 1 1 25 25 SER N N 15 123.623 0.058 . 1 . . . A 25 SER N . 18507 1 265 . 1 1 26 26 GLU HA H 1 4.141 0.005 . 1 . . . A 26 GLU HA . 18507 1 266 . 1 1 26 26 GLU HB2 H 1 2.050 0.007 . 2 . . . A 26 GLU HB2 . 18507 1 267 . 1 1 26 26 GLU HB3 H 1 0.957 0.005 . 2 . . . A 26 GLU HB3 . 18507 1 268 . 1 1 26 26 GLU HG2 H 1 1.622 0.005 . 2 . . . A 26 GLU HG2 . 18507 1 269 . 1 1 26 26 GLU HG3 H 1 1.378 0.006 . 2 . . . A 26 GLU HG3 . 18507 1 270 . 1 1 26 26 GLU C C 13 175.915 0.000 . 1 . . . A 26 GLU C . 18507 1 271 . 1 1 26 26 GLU CA C 13 55.264 0.087 . 1 . . . A 26 GLU CA . 18507 1 272 . 1 1 26 26 GLU CB C 13 29.284 0.085 . 1 . . . A 26 GLU CB . 18507 1 273 . 1 1 26 26 GLU CG C 13 35.053 0.073 . 1 . . . A 26 GLU CG . 18507 1 274 . 1 1 27 27 GLY H H 1 8.434 0.005 . 1 . . . A 27 GLY H . 18507 1 275 . 1 1 27 27 GLY HA2 H 1 3.957 0.005 . 2 . . . A 27 GLY HA2 . 18507 1 276 . 1 1 27 27 GLY HA3 H 1 4.264 0.008 . 2 . . . A 27 GLY HA3 . 18507 1 277 . 1 1 27 27 GLY C C 13 173.380 0.000 . 1 . . . A 27 GLY C . 18507 1 278 . 1 1 27 27 GLY CA C 13 44.632 0.157 . 1 . . . A 27 GLY CA . 18507 1 279 . 1 1 27 27 GLY N N 15 109.186 0.059 . 1 . . . A 27 GLY N . 18507 1 280 . 1 1 28 28 GLY H H 1 7.948 0.005 . 1 . . . A 28 GLY H . 18507 1 281 . 1 1 28 28 GLY HA2 H 1 4.067 0.007 . 2 . . . A 28 GLY HA2 . 18507 1 282 . 1 1 28 28 GLY HA3 H 1 3.756 0.009 . 2 . . . A 28 GLY HA3 . 18507 1 283 . 1 1 28 28 GLY C C 13 172.572 0.000 . 1 . . . A 28 GLY C . 18507 1 284 . 1 1 28 28 GLY CA C 13 43.697 0.153 . 1 . . . A 28 GLY CA . 18507 1 285 . 1 1 28 28 GLY N N 15 106.478 0.022 . 1 . . . A 28 GLY N . 18507 1 286 . 1 1 29 29 LYS H H 1 10.077 0.004 . 1 . . . A 29 LYS H . 18507 1 287 . 1 1 29 29 LYS HA H 1 4.615 0.013 . 1 . . . A 29 LYS HA . 18507 1 288 . 1 1 29 29 LYS HB2 H 1 1.908 0.007 . 2 . . . A 29 LYS HB2 . 18507 1 289 . 1 1 29 29 LYS HB3 H 1 1.908 0.007 . 2 . . . A 29 LYS HB3 . 18507 1 290 . 1 1 29 29 LYS HG2 H 1 1.490 0.009 . 2 . . . A 29 LYS HG2 . 18507 1 291 . 1 1 29 29 LYS HG3 H 1 1.398 0.005 . 2 . . . A 29 LYS HG3 . 18507 1 292 . 1 1 29 29 LYS HD2 H 1 1.652 0.004 . 2 . . . A 29 LYS HD2 . 18507 1 293 . 1 1 29 29 LYS HD3 H 1 1.661 0.005 . 2 . . . A 29 LYS HD3 . 18507 1 294 . 1 1 29 29 LYS HE2 H 1 2.959 0.004 . 2 . . . A 29 LYS HE2 . 18507 1 295 . 1 1 29 29 LYS HE3 H 1 2.950 0.005 . 2 . . . A 29 LYS HE3 . 18507 1 296 . 1 1 29 29 LYS C C 13 177.173 0.000 . 1 . . . A 29 LYS C . 18507 1 297 . 1 1 29 29 LYS CA C 13 57.951 0.089 . 1 . . . A 29 LYS CA . 18507 1 298 . 1 1 29 29 LYS CB C 13 33.835 0.062 . 1 . . . A 29 LYS CB . 18507 1 299 . 1 1 29 29 LYS CG C 13 25.201 0.068 . 1 . . . A 29 LYS CG . 18507 1 300 . 1 1 29 29 LYS CD C 13 29.073 0.069 . 1 . . . A 29 LYS CD . 18507 1 301 . 1 1 29 29 LYS CE C 13 41.814 0.151 . 1 . . . A 29 LYS CE . 18507 1 302 . 1 1 29 29 LYS N N 15 120.742 0.031 . 1 . . . A 29 LYS N . 18507 1 303 . 1 1 30 30 GLU H H 1 8.810 0.005 . 1 . . . A 30 GLU H . 18507 1 304 . 1 1 30 30 GLU HA H 1 4.197 0.006 . 1 . . . A 30 GLU HA . 18507 1 305 . 1 1 30 30 GLU HB2 H 1 1.915 0.008 . 2 . . . A 30 GLU HB2 . 18507 1 306 . 1 1 30 30 GLU HB3 H 1 1.976 0.012 . 2 . . . A 30 GLU HB3 . 18507 1 307 . 1 1 30 30 GLU HG2 H 1 2.086 0.005 . 2 . . . A 30 GLU HG2 . 18507 1 308 . 1 1 30 30 GLU HG3 H 1 2.130 0.016 . 2 . . . A 30 GLU HG3 . 18507 1 309 . 1 1 30 30 GLU C C 13 173.541 0.000 . 1 . . . A 30 GLU C . 18507 1 310 . 1 1 30 30 GLU CA C 13 55.980 0.070 . 1 . . . A 30 GLU CA . 18507 1 311 . 1 1 30 30 GLU CB C 13 32.473 0.069 . 1 . . . A 30 GLU CB . 18507 1 312 . 1 1 30 30 GLU CG C 13 36.831 0.054 . 1 . . . A 30 GLU CG . 18507 1 313 . 1 1 30 30 GLU N N 15 121.578 0.053 . 1 . . . A 30 GLU N . 18507 1 314 . 1 1 31 31 VAL H H 1 7.704 0.006 . 1 . . . A 31 VAL H . 18507 1 315 . 1 1 31 31 VAL HA H 1 4.540 0.014 . 1 . . . A 31 VAL HA . 18507 1 316 . 1 1 31 31 VAL HB H 1 0.838 0.010 . 1 . . . A 31 VAL HB . 18507 1 317 . 1 1 31 31 VAL HG11 H 1 0.353 0.003 . 2 . . . A 31 VAL HG11 . 18507 1 318 . 1 1 31 31 VAL HG12 H 1 0.353 0.003 . 2 . . . A 31 VAL HG12 . 18507 1 319 . 1 1 31 31 VAL HG13 H 1 0.353 0.003 . 2 . . . A 31 VAL HG13 . 18507 1 320 . 1 1 31 31 VAL HG21 H 1 -0.416 0.006 . 2 . . . A 31 VAL HG21 . 18507 1 321 . 1 1 31 31 VAL HG22 H 1 -0.416 0.006 . 2 . . . A 31 VAL HG22 . 18507 1 322 . 1 1 31 31 VAL HG23 H 1 -0.416 0.006 . 2 . . . A 31 VAL HG23 . 18507 1 323 . 1 1 31 31 VAL C C 13 173.552 0.000 . 1 . . . A 31 VAL C . 18507 1 324 . 1 1 31 31 VAL CA C 13 61.235 0.242 . 1 . . . A 31 VAL CA . 18507 1 325 . 1 1 31 31 VAL CB C 13 35.261 0.071 . 1 . . . A 31 VAL CB . 18507 1 326 . 1 1 31 31 VAL CG1 C 13 22.545 0.333 . 2 . . . A 31 VAL CG1 . 18507 1 327 . 1 1 31 31 VAL CG2 C 13 19.834 0.339 . 2 . . . A 31 VAL CG2 . 18507 1 328 . 1 1 31 31 VAL N N 15 124.182 0.031 . 1 . . . A 31 VAL N . 18507 1 329 . 1 1 32 32 PHE H H 1 8.856 0.006 . 1 . . . A 32 PHE H . 18507 1 330 . 1 1 32 32 PHE HA H 1 5.567 0.009 . 1 . . . A 32 PHE HA . 18507 1 331 . 1 1 32 32 PHE HB2 H 1 2.808 0.010 . 2 . . . A 32 PHE HB2 . 18507 1 332 . 1 1 32 32 PHE HB3 H 1 2.750 0.016 . 2 . . . A 32 PHE HB3 . 18507 1 333 . 1 1 32 32 PHE HD1 H 1 7.009 0.002 . 3 . . . A 32 PHE HD1 . 18507 1 334 . 1 1 32 32 PHE HD2 H 1 7.009 0.002 . 3 . . . A 32 PHE HD2 . 18507 1 335 . 1 1 32 32 PHE HE1 H 1 7.340 0.002 . 3 . . . A 32 PHE HE1 . 18507 1 336 . 1 1 32 32 PHE HE2 H 1 7.340 0.002 . 3 . . . A 32 PHE HE2 . 18507 1 337 . 1 1 32 32 PHE C C 13 174.872 0.000 . 1 . . . A 32 PHE C . 18507 1 338 . 1 1 32 32 PHE CA C 13 54.985 0.152 . 1 . . . A 32 PHE CA . 18507 1 339 . 1 1 32 32 PHE CB C 13 44.349 0.057 . 1 . . . A 32 PHE CB . 18507 1 340 . 1 1 32 32 PHE N N 15 123.930 0.056 . 1 . . . A 32 PHE N . 18507 1 341 . 1 1 33 33 ILE H H 1 9.316 0.005 . 1 . . . A 33 ILE H . 18507 1 342 . 1 1 33 33 ILE HA H 1 5.480 0.003 . 1 . . . A 33 ILE HA . 18507 1 343 . 1 1 33 33 ILE HB H 1 1.672 0.004 . 1 . . . A 33 ILE HB . 18507 1 344 . 1 1 33 33 ILE HG12 H 1 1.434 0.010 . 2 . . . A 33 ILE HG12 . 18507 1 345 . 1 1 33 33 ILE HG13 H 1 0.963 0.003 . 2 . . . A 33 ILE HG13 . 18507 1 346 . 1 1 33 33 ILE HG21 H 1 0.776 0.005 . 1 . . . A 33 ILE HG21 . 18507 1 347 . 1 1 33 33 ILE HG22 H 1 0.949 0.010 . 1 . . . A 33 ILE HG22 . 18507 1 348 . 1 1 33 33 ILE HG23 H 1 0.776 0.005 . 1 . . . A 33 ILE HG23 . 18507 1 349 . 1 1 33 33 ILE HD11 H 1 0.411 0.004 . 1 . . . A 33 ILE HD11 . 18507 1 350 . 1 1 33 33 ILE HD12 H 1 0.785 0.005 . 1 . . . A 33 ILE HD12 . 18507 1 351 . 1 1 33 33 ILE HD13 H 1 0.411 0.004 . 1 . . . A 33 ILE HD13 . 18507 1 352 . 1 1 33 33 ILE C C 13 174.067 0.000 . 1 . . . A 33 ILE C . 18507 1 353 . 1 1 33 33 ILE CA C 13 59.509 0.241 . 1 . . . A 33 ILE CA . 18507 1 354 . 1 1 33 33 ILE CB C 13 43.294 0.037 . 1 . . . A 33 ILE CB . 18507 1 355 . 1 1 33 33 ILE CG1 C 13 27.969 0.098 . 1 . . . A 33 ILE CG1 . 18507 1 356 . 1 1 33 33 ILE CG2 C 13 17.481 0.158 . 1 . . . A 33 ILE CG2 . 18507 1 357 . 1 1 33 33 ILE CD1 C 13 15.331 0.247 . 1 . . . A 33 ILE CD1 . 18507 1 358 . 1 1 33 33 ILE N N 15 116.493 0.041 . 1 . . . A 33 ILE N . 18507 1 359 . 1 1 34 34 SER H H 1 8.518 0.004 . 1 . . . A 34 SER H . 18507 1 360 . 1 1 34 34 SER HA H 1 4.496 0.005 . 1 . . . A 34 SER HA . 18507 1 361 . 1 1 34 34 SER HB2 H 1 3.804 0.000 . 2 . . . A 34 SER HB2 . 18507 1 362 . 1 1 34 34 SER HB3 H 1 3.869 0.007 . 2 . . . A 34 SER HB3 . 18507 1 363 . 1 1 34 34 SER C C 13 170.691 0.000 . 1 . . . A 34 SER C . 18507 1 364 . 1 1 34 34 SER CA C 13 57.343 0.077 . 1 . . . A 34 SER CA . 18507 1 365 . 1 1 34 34 SER CB C 13 67.249 0.029 . 1 . . . A 34 SER CB . 18507 1 366 . 1 1 34 34 SER N N 15 116.962 0.017 . 1 . . . A 34 SER N . 18507 1 367 . 1 1 35 35 GLY H H 1 7.200 0.007 . 1 . . . A 35 GLY H . 18507 1 368 . 1 1 35 35 GLY HA2 H 1 3.272 0.006 . 2 . . . A 35 GLY HA2 . 18507 1 369 . 1 1 35 35 GLY HA3 H 1 1.593 0.004 . 2 . . . A 35 GLY HA3 . 18507 1 370 . 1 1 35 35 GLY C C 13 172.451 0.000 . 1 . . . A 35 GLY C . 18507 1 371 . 1 1 35 35 GLY CA C 13 45.061 0.080 . 1 . . . A 35 GLY CA . 18507 1 372 . 1 1 35 35 GLY N N 15 106.806 0.071 . 1 . . . A 35 GLY N . 18507 1 373 . 1 1 36 36 SER H H 1 8.952 0.006 . 1 . . . A 36 SER H . 18507 1 374 . 1 1 36 36 SER HA H 1 3.388 0.007 . 1 . . . A 36 SER HA . 18507 1 375 . 1 1 36 36 SER HB2 H 1 4.259 0.009 . 2 . . . A 36 SER HB2 . 18507 1 376 . 1 1 36 36 SER HB3 H 1 3.897 0.004 . 2 . . . A 36 SER HB3 . 18507 1 377 . 1 1 36 36 SER C C 13 177.094 0.000 . 1 . . . A 36 SER C . 18507 1 378 . 1 1 36 36 SER CA C 13 60.882 0.115 . 1 . . . A 36 SER CA . 18507 1 379 . 1 1 36 36 SER CB C 13 61.978 0.388 . 1 . . . A 36 SER CB . 18507 1 380 . 1 1 36 36 SER N N 15 115.550 0.061 . 1 . . . A 36 SER N . 18507 1 381 . 1 1 37 37 PHE H H 1 6.475 0.003 . 1 . . . A 37 PHE H . 18507 1 382 . 1 1 37 37 PHE HA H 1 4.461 0.004 . 1 . . . A 37 PHE HA . 18507 1 383 . 1 1 37 37 PHE HB2 H 1 2.947 0.011 . 2 . . . A 37 PHE HB2 . 18507 1 384 . 1 1 37 37 PHE HB3 H 1 2.550 0.011 . 2 . . . A 37 PHE HB3 . 18507 1 385 . 1 1 37 37 PHE HD1 H 1 6.723 0.002 . 3 . . . A 37 PHE HD1 . 18507 1 386 . 1 1 37 37 PHE HD2 H 1 6.723 0.002 . 3 . . . A 37 PHE HD2 . 18507 1 387 . 1 1 37 37 PHE HE1 H 1 6.824 0.002 . 3 . . . A 37 PHE HE1 . 18507 1 388 . 1 1 37 37 PHE HE2 H 1 6.824 0.002 . 3 . . . A 37 PHE HE2 . 18507 1 389 . 1 1 37 37 PHE HZ H 1 6.580 0.001 . 1 . . . A 37 PHE HZ . 18507 1 390 . 1 1 37 37 PHE C C 13 175.254 0.000 . 1 . . . A 37 PHE C . 18507 1 391 . 1 1 37 37 PHE CA C 13 56.756 0.067 . 1 . . . A 37 PHE CA . 18507 1 392 . 1 1 37 37 PHE CB C 13 37.763 0.047 . 1 . . . A 37 PHE CB . 18507 1 393 . 1 1 37 37 PHE N N 15 118.633 0.052 . 1 . . . A 37 PHE N . 18507 1 394 . 1 1 38 38 ASN H H 1 6.610 0.005 . 1 . . . A 38 ASN H . 18507 1 395 . 1 1 38 38 ASN HA H 1 4.940 0.009 . 1 . . . A 38 ASN HA . 18507 1 396 . 1 1 38 38 ASN HB2 H 1 3.141 0.009 . 2 . . . A 38 ASN HB2 . 18507 1 397 . 1 1 38 38 ASN HB3 H 1 2.593 0.005 . 2 . . . A 38 ASN HB3 . 18507 1 398 . 1 1 38 38 ASN HD21 H 1 6.312 0.005 . 2 . . . A 38 ASN HD21 . 18507 1 399 . 1 1 38 38 ASN HD22 H 1 7.509 0.005 . 2 . . . A 38 ASN HD22 . 18507 1 400 . 1 1 38 38 ASN C C 13 175.954 0.000 . 1 . . . A 38 ASN C . 18507 1 401 . 1 1 38 38 ASN CA C 13 51.281 0.119 . 1 . . . A 38 ASN CA . 18507 1 402 . 1 1 38 38 ASN CB C 13 37.201 0.061 . 1 . . . A 38 ASN CB . 18507 1 403 . 1 1 38 38 ASN N N 15 119.885 0.068 . 1 . . . A 38 ASN N . 18507 1 404 . 1 1 38 38 ASN ND2 N 15 106.420 0.155 . 1 . . . A 38 ASN ND2 . 18507 1 405 . 1 1 39 39 ASN H H 1 7.822 0.005 . 1 . . . A 39 ASN H . 18507 1 406 . 1 1 39 39 ASN HA H 1 4.310 0.003 . 1 . . . A 39 ASN HA . 18507 1 407 . 1 1 39 39 ASN HB2 H 1 3.091 0.005 . 2 . . . A 39 ASN HB2 . 18507 1 408 . 1 1 39 39 ASN HB3 H 1 2.708 0.012 . 2 . . . A 39 ASN HB3 . 18507 1 409 . 1 1 39 39 ASN HD21 H 1 6.875 0.001 . 2 . . . A 39 ASN HD21 . 18507 1 410 . 1 1 39 39 ASN HD22 H 1 7.530 0.019 . 2 . . . A 39 ASN HD22 . 18507 1 411 . 1 1 39 39 ASN C C 13 173.171 0.000 . 1 . . . A 39 ASN C . 18507 1 412 . 1 1 39 39 ASN CA C 13 54.788 0.084 . 1 . . . A 39 ASN CA . 18507 1 413 . 1 1 39 39 ASN CB C 13 36.994 0.098 . 1 . . . A 39 ASN CB . 18507 1 414 . 1 1 39 39 ASN N N 15 117.264 0.058 . 1 . . . A 39 ASN N . 18507 1 415 . 1 1 39 39 ASN ND2 N 15 112.236 0.186 . 1 . . . A 39 ASN ND2 . 18507 1 416 . 1 1 40 40 TRP H H 1 8.300 0.003 . 1 . . . A 40 TRP H . 18507 1 417 . 1 1 40 40 TRP HA H 1 4.001 0.007 . 1 . . . A 40 TRP HA . 18507 1 418 . 1 1 40 40 TRP HB2 H 1 3.160 0.005 . 2 . . . A 40 TRP HB2 . 18507 1 419 . 1 1 40 40 TRP HB3 H 1 3.086 0.007 . 2 . . . A 40 TRP HB3 . 18507 1 420 . 1 1 40 40 TRP HD1 H 1 6.836 0.002 . 1 . . . A 40 TRP HD1 . 18507 1 421 . 1 1 40 40 TRP HE1 H 1 10.089 0.003 . 1 . . . A 40 TRP HE1 . 18507 1 422 . 1 1 40 40 TRP HE3 H 1 7.017 0.001 . 1 . . . A 40 TRP HE3 . 18507 1 423 . 1 1 40 40 TRP HZ2 H 1 7.080 0.002 . 1 . . . A 40 TRP HZ2 . 18507 1 424 . 1 1 40 40 TRP HZ3 H 1 6.471 0.002 . 1 . . . A 40 TRP HZ3 . 18507 1 425 . 1 1 40 40 TRP HH2 H 1 6.623 0.004 . 1 . . . A 40 TRP HH2 . 18507 1 426 . 1 1 40 40 TRP C C 13 177.457 0.000 . 1 . . . A 40 TRP C . 18507 1 427 . 1 1 40 40 TRP CA C 13 57.585 0.100 . 1 . . . A 40 TRP CA . 18507 1 428 . 1 1 40 40 TRP CB C 13 24.787 0.077 . 1 . . . A 40 TRP CB . 18507 1 429 . 1 1 40 40 TRP N N 15 113.463 0.019 . 1 . . . A 40 TRP N . 18507 1 430 . 1 1 40 40 TRP NE1 N 15 128.835 0.023 . 1 . . . A 40 TRP NE1 . 18507 1 431 . 1 1 41 41 SER H H 1 7.549 0.008 . 1 . . . A 41 SER H . 18507 1 432 . 1 1 41 41 SER HA H 1 4.216 0.018 . 1 . . . A 41 SER HA . 18507 1 433 . 1 1 41 41 SER HB2 H 1 3.905 0.009 . 2 . . . A 41 SER HB2 . 18507 1 434 . 1 1 41 41 SER HB3 H 1 3.905 0.009 . 2 . . . A 41 SER HB3 . 18507 1 435 . 1 1 41 41 SER C C 13 174.913 0.000 . 1 . . . A 41 SER C . 18507 1 436 . 1 1 41 41 SER CA C 13 60.460 0.256 . 1 . . . A 41 SER CA . 18507 1 437 . 1 1 41 41 SER CB C 13 64.591 0.228 . 1 . . . A 41 SER CB . 18507 1 438 . 1 1 41 41 SER N N 15 113.321 0.082 . 1 . . . A 41 SER N . 18507 1 439 . 1 1 42 42 THR H H 1 7.088 0.004 . 1 . . . A 42 THR H . 18507 1 440 . 1 1 42 42 THR HA H 1 4.576 0.003 . 1 . . . A 42 THR HA . 18507 1 441 . 1 1 42 42 THR HB H 1 3.993 0.003 . 1 . . . A 42 THR HB . 18507 1 442 . 1 1 42 42 THR HG21 H 1 1.094 0.004 . 1 . . . A 42 THR HG21 . 18507 1 443 . 1 1 42 42 THR HG22 H 1 1.094 0.004 . 1 . . . A 42 THR HG22 . 18507 1 444 . 1 1 42 42 THR HG23 H 1 1.094 0.004 . 1 . . . A 42 THR HG23 . 18507 1 445 . 1 1 42 42 THR C C 13 174.798 0.000 . 1 . . . A 42 THR C . 18507 1 446 . 1 1 42 42 THR CA C 13 59.920 0.271 . 1 . . . A 42 THR CA . 18507 1 447 . 1 1 42 42 THR CB C 13 71.457 0.077 . 1 . . . A 42 THR CB . 18507 1 448 . 1 1 42 42 THR CG2 C 13 21.049 0.162 . 1 . . . A 42 THR CG2 . 18507 1 449 . 1 1 42 42 THR N N 15 112.097 0.044 . 1 . . . A 42 THR N . 18507 1 450 . 1 1 43 43 LYS H H 1 8.466 0.011 . 1 . . . A 43 LYS H . 18507 1 451 . 1 1 43 43 LYS HA H 1 4.672 0.006 . 1 . . . A 43 LYS HA . 18507 1 452 . 1 1 43 43 LYS HB2 H 1 1.386 0.003 . 2 . . . A 43 LYS HB2 . 18507 1 453 . 1 1 43 43 LYS HB3 H 1 1.215 0.010 . 2 . . . A 43 LYS HB3 . 18507 1 454 . 1 1 43 43 LYS HG2 H 1 1.290 0.007 . 2 . . . A 43 LYS HG2 . 18507 1 455 . 1 1 43 43 LYS HG3 H 1 0.891 0.007 . 2 . . . A 43 LYS HG3 . 18507 1 456 . 1 1 43 43 LYS HD2 H 1 0.603 0.005 . 2 . . . A 43 LYS HD2 . 18507 1 457 . 1 1 43 43 LYS HD3 H 1 0.603 0.005 . 2 . . . A 43 LYS HD3 . 18507 1 458 . 1 1 43 43 LYS HE2 H 1 1.886 0.004 . 2 . . . A 43 LYS HE2 . 18507 1 459 . 1 1 43 43 LYS HE3 H 1 1.362 0.013 . 2 . . . A 43 LYS HE3 . 18507 1 460 . 1 1 43 43 LYS C C 13 174.839 0.000 . 1 . . . A 43 LYS C . 18507 1 461 . 1 1 43 43 LYS CA C 13 55.293 0.085 . 1 . . . A 43 LYS CA . 18507 1 462 . 1 1 43 43 LYS CB C 13 33.338 0.096 . 1 . . . A 43 LYS CB . 18507 1 463 . 1 1 43 43 LYS CG C 13 24.705 0.063 . 1 . . . A 43 LYS CG . 18507 1 464 . 1 1 43 43 LYS CD C 13 29.104 0.076 . 1 . . . A 43 LYS CD . 18507 1 465 . 1 1 43 43 LYS CE C 13 40.419 0.018 . 1 . . . A 43 LYS CE . 18507 1 466 . 1 1 43 43 LYS N N 15 122.104 0.010 . 1 . . . A 43 LYS N . 18507 1 467 . 1 1 44 44 ILE H H 1 9.596 0.005 . 1 . . . A 44 ILE H . 18507 1 468 . 1 1 44 44 ILE HA H 1 4.628 0.004 . 1 . . . A 44 ILE HA . 18507 1 469 . 1 1 44 44 ILE HB H 1 1.918 0.006 . 1 . . . A 44 ILE HB . 18507 1 470 . 1 1 44 44 ILE HG12 H 1 1.560 0.005 . 2 . . . A 44 ILE HG12 . 18507 1 471 . 1 1 44 44 ILE HG21 H 1 1.144 0.007 . 1 . . . A 44 ILE HG21 . 18507 1 472 . 1 1 44 44 ILE HG22 H 1 1.144 0.007 . 1 . . . A 44 ILE HG22 . 18507 1 473 . 1 1 44 44 ILE HG23 H 1 1.144 0.007 . 1 . . . A 44 ILE HG23 . 18507 1 474 . 1 1 44 44 ILE HD11 H 1 0.899 0.002 . 1 . . . A 44 ILE HD11 . 18507 1 475 . 1 1 44 44 ILE HD12 H 1 0.899 0.002 . 1 . . . A 44 ILE HD12 . 18507 1 476 . 1 1 44 44 ILE HD13 H 1 0.899 0.002 . 1 . . . A 44 ILE HD13 . 18507 1 477 . 1 1 44 44 ILE CA C 13 58.572 0.048 . 1 . . . A 44 ILE CA . 18507 1 478 . 1 1 44 44 ILE CB C 13 40.104 0.051 . 1 . . . A 44 ILE CB . 18507 1 479 . 1 1 44 44 ILE CG2 C 13 16.380 0.337 . 1 . . . A 44 ILE CG2 . 18507 1 480 . 1 1 44 44 ILE CD1 C 13 14.590 0.249 . 1 . . . A 44 ILE CD1 . 18507 1 481 . 1 1 44 44 ILE N N 15 128.655 0.054 . 1 . . . A 44 ILE N . 18507 1 482 . 1 1 45 45 PRO HA H 1 4.305 0.007 . 1 . . . A 45 PRO HA . 18507 1 483 . 1 1 45 45 PRO HB2 H 1 1.779 0.014 . 2 . . . A 45 PRO HB2 . 18507 1 484 . 1 1 45 45 PRO HB3 H 1 2.084 0.006 . 2 . . . A 45 PRO HB3 . 18507 1 485 . 1 1 45 45 PRO HG2 H 1 2.148 0.006 . 2 . . . A 45 PRO HG2 . 18507 1 486 . 1 1 45 45 PRO HG3 H 1 2.236 0.009 . 2 . . . A 45 PRO HG3 . 18507 1 487 . 1 1 45 45 PRO HD2 H 1 3.969 0.009 . 2 . . . A 45 PRO HD2 . 18507 1 488 . 1 1 45 45 PRO HD3 H 1 4.127 0.005 . 2 . . . A 45 PRO HD3 . 18507 1 489 . 1 1 45 45 PRO C C 13 174.315 0.000 . 1 . . . A 45 PRO C . 18507 1 490 . 1 1 45 45 PRO CA C 13 62.731 0.318 . 1 . . . A 45 PRO CA . 18507 1 491 . 1 1 45 45 PRO CB C 13 32.246 0.156 . 1 . . . A 45 PRO CB . 18507 1 492 . 1 1 45 45 PRO CG C 13 27.177 0.062 . 1 . . . A 45 PRO CG . 18507 1 493 . 1 1 45 45 PRO CD C 13 51.082 0.109 . 1 . . . A 45 PRO CD . 18507 1 494 . 1 1 46 46 LEU H H 1 8.157 0.006 . 1 . . . A 46 LEU H . 18507 1 495 . 1 1 46 46 LEU HA H 1 4.513 0.006 . 1 . . . A 46 LEU HA . 18507 1 496 . 1 1 46 46 LEU HB2 H 1 1.776 0.007 . 2 . . . A 46 LEU HB2 . 18507 1 497 . 1 1 46 46 LEU HB3 H 1 1.209 0.013 . 2 . . . A 46 LEU HB3 . 18507 1 498 . 1 1 46 46 LEU HG H 1 1.668 0.006 . 1 . . . A 46 LEU HG . 18507 1 499 . 1 1 46 46 LEU HD11 H 1 0.866 0.002 . 1 . . . A 46 LEU HD11 . 18507 1 500 . 1 1 46 46 LEU HD12 H 1 0.866 0.002 . 1 . . . A 46 LEU HD12 . 18507 1 501 . 1 1 46 46 LEU HD13 H 1 0.866 0.002 . 1 . . . A 46 LEU HD13 . 18507 1 502 . 1 1 46 46 LEU HD21 H 1 0.824 0.005 . 1 . . . A 46 LEU HD21 . 18507 1 503 . 1 1 46 46 LEU HD22 H 1 0.824 0.005 . 1 . . . A 46 LEU HD22 . 18507 1 504 . 1 1 46 46 LEU HD23 H 1 0.824 0.005 . 1 . . . A 46 LEU HD23 . 18507 1 505 . 1 1 46 46 LEU CA C 13 55.553 0.108 . 1 . . . A 46 LEU CA . 18507 1 506 . 1 1 46 46 LEU CB C 13 42.810 0.035 . 1 . . . A 46 LEU CB . 18507 1 507 . 1 1 46 46 LEU CG C 13 31.356 0.053 . 1 . . . A 46 LEU CG . 18507 1 508 . 1 1 46 46 LEU CD1 C 13 25.298 0.015 . 2 . . . A 46 LEU CD1 . 18507 1 509 . 1 1 46 46 LEU CD2 C 13 26.212 0.072 . 2 . . . A 46 LEU CD2 . 18507 1 510 . 1 1 46 46 LEU N N 15 122.198 0.067 . 1 . . . A 46 LEU N . 18507 1 511 . 1 1 47 47 ILE HA H 1 4.350 0.008 . 1 . . . A 47 ILE HA . 18507 1 512 . 1 1 47 47 ILE HB H 1 1.836 0.007 . 1 . . . A 47 ILE HB . 18507 1 513 . 1 1 47 47 ILE HG12 H 1 1.309 0.005 . 2 . . . A 47 ILE HG12 . 18507 1 514 . 1 1 47 47 ILE HG13 H 1 1.433 0.001 . 2 . . . A 47 ILE HG13 . 18507 1 515 . 1 1 47 47 ILE HG21 H 1 0.874 0.006 . 1 . . . A 47 ILE HG21 . 18507 1 516 . 1 1 47 47 ILE HG22 H 1 0.874 0.006 . 1 . . . A 47 ILE HG22 . 18507 1 517 . 1 1 47 47 ILE HG23 H 1 0.874 0.006 . 1 . . . A 47 ILE HG23 . 18507 1 518 . 1 1 47 47 ILE HD11 H 1 0.788 0.005 . 1 . . . A 47 ILE HD11 . 18507 1 519 . 1 1 47 47 ILE HD12 H 1 0.788 0.005 . 1 . . . A 47 ILE HD12 . 18507 1 520 . 1 1 47 47 ILE HD13 H 1 0.788 0.005 . 1 . . . A 47 ILE HD13 . 18507 1 521 . 1 1 47 47 ILE C C 13 175.903 0.000 . 1 . . . A 47 ILE C . 18507 1 522 . 1 1 47 47 ILE CA C 13 59.414 0.235 . 1 . . . A 47 ILE CA . 18507 1 523 . 1 1 47 47 ILE CB C 13 39.396 0.082 . 1 . . . A 47 ILE CB . 18507 1 524 . 1 1 47 47 ILE CG1 C 13 27.430 0.165 . 1 . . . A 47 ILE CG1 . 18507 1 525 . 1 1 47 47 ILE CG2 C 13 18.133 0.152 . 1 . . . A 47 ILE CG2 . 18507 1 526 . 1 1 47 47 ILE CD1 C 13 12.574 0.198 . 1 . . . A 47 ILE CD1 . 18507 1 527 . 1 1 48 48 LYS H H 1 8.661 0.006 . 1 . . . A 48 LYS H . 18507 1 528 . 1 1 48 48 LYS HA H 1 3.906 0.013 . 1 . . . A 48 LYS HA . 18507 1 529 . 1 1 48 48 LYS HB2 H 1 1.560 0.009 . 2 . . . A 48 LYS HB2 . 18507 1 530 . 1 1 48 48 LYS HB3 H 1 1.233 0.009 . 2 . . . A 48 LYS HB3 . 18507 1 531 . 1 1 48 48 LYS HG2 H 1 0.579 0.008 . 2 . . . A 48 LYS HG2 . 18507 1 532 . 1 1 48 48 LYS HG3 H 1 0.949 0.005 . 2 . . . A 48 LYS HG3 . 18507 1 533 . 1 1 48 48 LYS HD2 H 1 1.239 0.004 . 2 . . . A 48 LYS HD2 . 18507 1 534 . 1 1 48 48 LYS HD3 H 1 1.239 0.004 . 2 . . . A 48 LYS HD3 . 18507 1 535 . 1 1 48 48 LYS HE2 H 1 2.806 0.008 . 2 . . . A 48 LYS HE2 . 18507 1 536 . 1 1 48 48 LYS HE3 H 1 2.719 0.003 . 2 . . . A 48 LYS HE3 . 18507 1 537 . 1 1 48 48 LYS C C 13 176.252 0.000 . 1 . . . A 48 LYS C . 18507 1 538 . 1 1 48 48 LYS CA C 13 56.702 0.148 . 1 . . . A 48 LYS CA . 18507 1 539 . 1 1 48 48 LYS CB C 13 32.596 0.193 . 1 . . . A 48 LYS CB . 18507 1 540 . 1 1 48 48 LYS CG C 13 24.598 0.227 . 1 . . . A 48 LYS CG . 18507 1 541 . 1 1 48 48 LYS CD C 13 28.626 0.106 . 1 . . . A 48 LYS CD . 18507 1 542 . 1 1 48 48 LYS CE C 13 41.755 0.080 . 1 . . . A 48 LYS CE . 18507 1 543 . 1 1 48 48 LYS N N 15 128.033 0.025 . 1 . . . A 48 LYS N . 18507 1 544 . 1 1 49 49 SER H H 1 8.638 0.012 . 1 . . . A 49 SER H . 18507 1 545 . 1 1 49 49 SER HA H 1 4.367 0.005 . 1 . . . A 49 SER HA . 18507 1 546 . 1 1 49 49 SER HB2 H 1 3.497 0.003 . 2 . . . A 49 SER HB2 . 18507 1 547 . 1 1 49 49 SER HB3 H 1 3.497 0.003 . 2 . . . A 49 SER HB3 . 18507 1 548 . 1 1 49 49 SER CA C 13 56.282 0.010 . 1 . . . A 49 SER CA . 18507 1 549 . 1 1 49 49 SER CB C 13 62.849 0.280 . 1 . . . A 49 SER CB . 18507 1 550 . 1 1 49 49 SER N N 15 122.194 0.094 . 1 . . . A 49 SER N . 18507 1 551 . 1 1 50 50 HIS HA H 1 4.042 0.004 . 1 . . . A 50 HIS HA . 18507 1 552 . 1 1 50 50 HIS HB2 H 1 3.182 0.005 . 2 . . . A 50 HIS HB2 . 18507 1 553 . 1 1 50 50 HIS HB3 H 1 3.333 0.003 . 2 . . . A 50 HIS HB3 . 18507 1 554 . 1 1 50 50 HIS HD2 H 1 7.002 0.008 . 1 . . . A 50 HIS HD2 . 18507 1 555 . 1 1 50 50 HIS CA C 13 57.984 0.060 . 1 . . . A 50 HIS CA . 18507 1 556 . 1 1 50 50 HIS CB C 13 27.897 0.059 . 1 . . . A 50 HIS CB . 18507 1 557 . 1 1 51 51 ASN HA H 1 4.715 0.010 . 1 . . . A 51 ASN HA . 18507 1 558 . 1 1 51 51 ASN HB2 H 1 2.870 0.007 . 2 . . . A 51 ASN HB2 . 18507 1 559 . 1 1 51 51 ASN HB3 H 1 2.645 0.010 . 2 . . . A 51 ASN HB3 . 18507 1 560 . 1 1 51 51 ASN HD21 H 1 6.856 0.005 . 2 . . . A 51 ASN HD21 . 18507 1 561 . 1 1 51 51 ASN HD22 H 1 7.584 0.005 . 2 . . . A 51 ASN HD22 . 18507 1 562 . 1 1 51 51 ASN C C 13 174.091 0.000 . 1 . . . A 51 ASN C . 18507 1 563 . 1 1 51 51 ASN CA C 13 53.776 0.070 . 1 . . . A 51 ASN CA . 18507 1 564 . 1 1 51 51 ASN CB C 13 39.134 0.123 . 1 . . . A 51 ASN CB . 18507 1 565 . 1 1 51 51 ASN ND2 N 15 113.624 0.160 . 1 . . . A 51 ASN ND2 . 18507 1 566 . 1 1 52 52 ASP H H 1 8.031 0.004 . 1 . . . A 52 ASP H . 18507 1 567 . 1 1 52 52 ASP HA H 1 4.962 0.005 . 1 . . . A 52 ASP HA . 18507 1 568 . 1 1 52 52 ASP HB2 H 1 2.605 0.004 . 2 . . . A 52 ASP HB2 . 18507 1 569 . 1 1 52 52 ASP HB3 H 1 2.518 0.008 . 2 . . . A 52 ASP HB3 . 18507 1 570 . 1 1 52 52 ASP C C 13 174.069 0.000 . 1 . . . A 52 ASP C . 18507 1 571 . 1 1 52 52 ASP CA C 13 53.544 0.063 . 1 . . . A 52 ASP CA . 18507 1 572 . 1 1 52 52 ASP CB C 13 43.556 0.173 . 1 . . . A 52 ASP CB . 18507 1 573 . 1 1 52 52 ASP N N 15 119.149 0.021 . 1 . . . A 52 ASP N . 18507 1 574 . 1 1 53 53 PHE H H 1 8.534 0.004 . 1 . . . A 53 PHE H . 18507 1 575 . 1 1 53 53 PHE HA H 1 5.150 0.006 . 1 . . . A 53 PHE HA . 18507 1 576 . 1 1 53 53 PHE HB2 H 1 2.859 0.013 . 2 . . . A 53 PHE HB2 . 18507 1 577 . 1 1 53 53 PHE HB3 H 1 2.958 0.007 . 2 . . . A 53 PHE HB3 . 18507 1 578 . 1 1 53 53 PHE HD1 H 1 7.096 0.002 . 3 . . . A 53 PHE HD1 . 18507 1 579 . 1 1 53 53 PHE HD2 H 1 7.096 0.002 . 3 . . . A 53 PHE HD2 . 18507 1 580 . 1 1 53 53 PHE HE1 H 1 7.203 0.002 . 3 . . . A 53 PHE HE1 . 18507 1 581 . 1 1 53 53 PHE HE2 H 1 7.203 0.002 . 3 . . . A 53 PHE HE2 . 18507 1 582 . 1 1 53 53 PHE HZ H 1 6.767 0.003 . 1 . . . A 53 PHE HZ . 18507 1 583 . 1 1 53 53 PHE C C 13 175.583 0.000 . 1 . . . A 53 PHE C . 18507 1 584 . 1 1 53 53 PHE CA C 13 57.372 0.070 . 1 . . . A 53 PHE CA . 18507 1 585 . 1 1 53 53 PHE CB C 13 41.891 0.125 . 1 . . . A 53 PHE CB . 18507 1 586 . 1 1 53 53 PHE N N 15 118.169 0.068 . 1 . . . A 53 PHE N . 18507 1 587 . 1 1 54 54 VAL H H 1 9.324 0.004 . 1 . . . A 54 VAL H . 18507 1 588 . 1 1 54 54 VAL HA H 1 5.325 0.003 . 1 . . . A 54 VAL HA . 18507 1 589 . 1 1 54 54 VAL HB H 1 1.863 0.009 . 1 . . . A 54 VAL HB . 18507 1 590 . 1 1 54 54 VAL HG11 H 1 0.805 0.002 . 2 . . . A 54 VAL HG11 . 18507 1 591 . 1 1 54 54 VAL HG12 H 1 0.805 0.002 . 2 . . . A 54 VAL HG12 . 18507 1 592 . 1 1 54 54 VAL HG13 H 1 0.805 0.002 . 2 . . . A 54 VAL HG13 . 18507 1 593 . 1 1 54 54 VAL CA C 13 60.134 0.334 . 1 . . . A 54 VAL CA . 18507 1 594 . 1 1 54 54 VAL CB C 13 36.749 0.040 . 1 . . . A 54 VAL CB . 18507 1 595 . 1 1 54 54 VAL CG1 C 13 21.485 0.305 . 2 . . . A 54 VAL CG1 . 18507 1 596 . 1 1 54 54 VAL N N 15 118.983 0.051 . 1 . . . A 54 VAL N . 18507 1 597 . 1 1 55 55 ALA HA H 1 4.707 0.004 . 1 . . . A 55 ALA HA . 18507 1 598 . 1 1 55 55 ALA HB1 H 1 1.190 0.003 . 1 . . . A 55 ALA HB1 . 18507 1 599 . 1 1 55 55 ALA HB2 H 1 1.190 0.003 . 1 . . . A 55 ALA HB2 . 18507 1 600 . 1 1 55 55 ALA HB3 H 1 1.190 0.003 . 1 . . . A 55 ALA HB3 . 18507 1 601 . 1 1 55 55 ALA C C 13 174.786 0.000 . 1 . . . A 55 ALA C . 18507 1 602 . 1 1 55 55 ALA CA C 13 50.887 0.122 . 1 . . . A 55 ALA CA . 18507 1 603 . 1 1 55 55 ALA CB C 13 21.688 0.178 . 1 . . . A 55 ALA CB . 18507 1 604 . 1 1 56 56 ILE H H 1 8.239 0.005 . 1 . . . A 56 ILE H . 18507 1 605 . 1 1 56 56 ILE HA H 1 4.552 0.008 . 1 . . . A 56 ILE HA . 18507 1 606 . 1 1 56 56 ILE HB H 1 1.617 0.009 . 1 . . . A 56 ILE HB . 18507 1 607 . 1 1 56 56 ILE HG12 H 1 1.409 0.006 . 2 . . . A 56 ILE HG12 . 18507 1 608 . 1 1 56 56 ILE HG21 H 1 0.631 0.002 . 1 . . . A 56 ILE HG21 . 18507 1 609 . 1 1 56 56 ILE HG22 H 1 0.631 0.002 . 1 . . . A 56 ILE HG22 . 18507 1 610 . 1 1 56 56 ILE HG23 H 1 0.631 0.002 . 1 . . . A 56 ILE HG23 . 18507 1 611 . 1 1 56 56 ILE HD11 H 1 0.763 0.011 . 1 . . . A 56 ILE HD11 . 18507 1 612 . 1 1 56 56 ILE HD12 H 1 0.763 0.011 . 1 . . . A 56 ILE HD12 . 18507 1 613 . 1 1 56 56 ILE HD13 H 1 0.763 0.011 . 1 . . . A 56 ILE HD13 . 18507 1 614 . 1 1 56 56 ILE C C 13 175.419 0.000 . 1 . . . A 56 ILE C . 18507 1 615 . 1 1 56 56 ILE CA C 13 60.922 0.173 . 1 . . . A 56 ILE CA . 18507 1 616 . 1 1 56 56 ILE CB C 13 38.491 0.152 . 1 . . . A 56 ILE CB . 18507 1 617 . 1 1 56 56 ILE CG1 C 13 27.766 0.130 . 1 . . . A 56 ILE CG1 . 18507 1 618 . 1 1 56 56 ILE CG2 C 13 17.987 0.084 . 1 . . . A 56 ILE CG2 . 18507 1 619 . 1 1 56 56 ILE N N 15 120.457 0.038 . 1 . . . A 56 ILE N . 18507 1 620 . 1 1 57 57 LEU H H 1 8.828 0.005 . 1 . . . A 57 LEU H . 18507 1 621 . 1 1 57 57 LEU HA H 1 4.506 0.003 . 1 . . . A 57 LEU HA . 18507 1 622 . 1 1 57 57 LEU HB2 H 1 0.762 0.006 . 2 . . . A 57 LEU HB2 . 18507 1 623 . 1 1 57 57 LEU HB3 H 1 1.059 0.009 . 2 . . . A 57 LEU HB3 . 18507 1 624 . 1 1 57 57 LEU HG H 1 1.119 0.008 . 1 . . . A 57 LEU HG . 18507 1 625 . 1 1 57 57 LEU HD11 H 1 0.099 0.004 . 1 . . . A 57 LEU HD11 . 18507 1 626 . 1 1 57 57 LEU HD12 H 1 0.099 0.004 . 1 . . . A 57 LEU HD12 . 18507 1 627 . 1 1 57 57 LEU HD13 H 1 0.099 0.004 . 1 . . . A 57 LEU HD13 . 18507 1 628 . 1 1 57 57 LEU HD21 H 1 0.443 0.008 . 1 . . . A 57 LEU HD21 . 18507 1 629 . 1 1 57 57 LEU HD22 H 1 0.443 0.008 . 1 . . . A 57 LEU HD22 . 18507 1 630 . 1 1 57 57 LEU HD23 H 1 0.443 0.008 . 1 . . . A 57 LEU HD23 . 18507 1 631 . 1 1 57 57 LEU C C 13 175.108 0.000 . 1 . . . A 57 LEU C . 18507 1 632 . 1 1 57 57 LEU CA C 13 52.742 0.103 . 1 . . . A 57 LEU CA . 18507 1 633 . 1 1 57 57 LEU CB C 13 45.170 0.028 . 1 . . . A 57 LEU CB . 18507 1 634 . 1 1 57 57 LEU CG C 13 26.677 0.200 . 1 . . . A 57 LEU CG . 18507 1 635 . 1 1 57 57 LEU CD1 C 13 25.859 0.040 . 2 . . . A 57 LEU CD1 . 18507 1 636 . 1 1 57 57 LEU CD2 C 13 23.657 0.279 . 2 . . . A 57 LEU CD2 . 18507 1 637 . 1 1 57 57 LEU N N 15 127.392 0.073 . 1 . . . A 57 LEU N . 18507 1 638 . 1 1 58 58 ASP H H 1 8.571 0.005 . 1 . . . A 58 ASP H . 18507 1 639 . 1 1 58 58 ASP HA H 1 4.628 0.011 . 1 . . . A 58 ASP HA . 18507 1 640 . 1 1 58 58 ASP HB2 H 1 2.360 0.005 . 2 . . . A 58 ASP HB2 . 18507 1 641 . 1 1 58 58 ASP HB3 H 1 2.360 0.005 . 2 . . . A 58 ASP HB3 . 18507 1 642 . 1 1 58 58 ASP C C 13 175.066 0.000 . 1 . . . A 58 ASP C . 18507 1 643 . 1 1 58 58 ASP CA C 13 52.941 0.096 . 1 . . . A 58 ASP CA . 18507 1 644 . 1 1 58 58 ASP CB C 13 39.707 0.107 . 1 . . . A 58 ASP CB . 18507 1 645 . 1 1 58 58 ASP N N 15 124.255 0.079 . 1 . . . A 58 ASP N . 18507 1 646 . 1 1 59 59 LEU H H 1 7.681 0.003 . 1 . . . A 59 LEU H . 18507 1 647 . 1 1 59 59 LEU HA H 1 4.535 0.007 . 1 . . . A 59 LEU HA . 18507 1 648 . 1 1 59 59 LEU HB2 H 1 0.680 0.007 . 2 . . . A 59 LEU HB2 . 18507 1 649 . 1 1 59 59 LEU HB3 H 1 1.512 0.006 . 2 . . . A 59 LEU HB3 . 18507 1 650 . 1 1 59 59 LEU HG H 1 0.969 0.008 . 1 . . . A 59 LEU HG . 18507 1 651 . 1 1 59 59 LEU HD11 H 1 0.177 0.006 . 1 . . . A 59 LEU HD11 . 18507 1 652 . 1 1 59 59 LEU HD12 H 1 0.177 0.006 . 1 . . . A 59 LEU HD12 . 18507 1 653 . 1 1 59 59 LEU HD13 H 1 0.177 0.006 . 1 . . . A 59 LEU HD13 . 18507 1 654 . 1 1 59 59 LEU HD21 H 1 -0.322 0.004 . 1 . . . A 59 LEU HD21 . 18507 1 655 . 1 1 59 59 LEU HD22 H 1 -0.322 0.004 . 1 . . . A 59 LEU HD22 . 18507 1 656 . 1 1 59 59 LEU HD23 H 1 -0.322 0.004 . 1 . . . A 59 LEU HD23 . 18507 1 657 . 1 1 59 59 LEU CA C 13 50.873 0.063 . 1 . . . A 59 LEU CA . 18507 1 658 . 1 1 59 59 LEU CB C 13 43.034 0.116 . 1 . . . A 59 LEU CB . 18507 1 659 . 1 1 59 59 LEU CG C 13 25.767 0.072 . 1 . . . A 59 LEU CG . 18507 1 660 . 1 1 59 59 LEU CD1 C 13 24.725 0.003 . 2 . . . A 59 LEU CD1 . 18507 1 661 . 1 1 59 59 LEU CD2 C 13 22.428 0.244 . 2 . . . A 59 LEU CD2 . 18507 1 662 . 1 1 59 59 LEU N N 15 124.092 0.023 . 1 . . . A 59 LEU N . 18507 1 663 . 1 1 60 60 PRO HA H 1 4.601 0.010 . 1 . . . A 60 PRO HA . 18507 1 664 . 1 1 60 60 PRO HB2 H 1 2.070 0.007 . 2 . . . A 60 PRO HB2 . 18507 1 665 . 1 1 60 60 PRO HB3 H 1 2.315 0.012 . 2 . . . A 60 PRO HB3 . 18507 1 666 . 1 1 60 60 PRO HG2 H 1 2.101 0.004 . 2 . . . A 60 PRO HG2 . 18507 1 667 . 1 1 60 60 PRO HG3 H 1 2.018 0.016 . 2 . . . A 60 PRO HG3 . 18507 1 668 . 1 1 60 60 PRO HD2 H 1 3.225 0.006 . 2 . . . A 60 PRO HD2 . 18507 1 669 . 1 1 60 60 PRO HD3 H 1 3.784 0.009 . 2 . . . A 60 PRO HD3 . 18507 1 670 . 1 1 60 60 PRO C C 13 175.599 0.000 . 1 . . . A 60 PRO C . 18507 1 671 . 1 1 60 60 PRO CA C 13 61.482 0.098 . 1 . . . A 60 PRO CA . 18507 1 672 . 1 1 60 60 PRO CB C 13 32.668 0.122 . 1 . . . A 60 PRO CB . 18507 1 673 . 1 1 60 60 PRO CG C 13 27.047 0.118 . 1 . . . A 60 PRO CG . 18507 1 674 . 1 1 60 60 PRO CD C 13 50.348 0.073 . 1 . . . A 60 PRO CD . 18507 1 675 . 1 1 61 61 GLU H H 1 8.500 0.005 . 1 . . . A 61 GLU H . 18507 1 676 . 1 1 61 61 GLU HA H 1 3.859 0.004 . 1 . . . A 61 GLU HA . 18507 1 677 . 1 1 61 61 GLU HB2 H 1 1.933 0.005 . 2 . . . A 61 GLU HB2 . 18507 1 678 . 1 1 61 61 GLU HB3 H 1 1.933 0.005 . 2 . . . A 61 GLU HB3 . 18507 1 679 . 1 1 61 61 GLU HG2 H 1 2.150 0.005 . 2 . . . A 61 GLU HG2 . 18507 1 680 . 1 1 61 61 GLU HG3 H 1 2.361 0.006 . 2 . . . A 61 GLU HG3 . 18507 1 681 . 1 1 61 61 GLU C C 13 176.121 0.000 . 1 . . . A 61 GLU C . 18507 1 682 . 1 1 61 61 GLU CA C 13 57.458 0.091 . 1 . . . A 61 GLU CA . 18507 1 683 . 1 1 61 61 GLU CB C 13 30.249 0.062 . 1 . . . A 61 GLU CB . 18507 1 684 . 1 1 61 61 GLU CG C 13 36.591 0.110 . 1 . . . A 61 GLU CG . 18507 1 685 . 1 1 61 61 GLU N N 15 119.164 0.031 . 1 . . . A 61 GLU N . 18507 1 686 . 1 1 62 62 GLY H H 1 8.845 0.005 . 1 . . . A 62 GLY H . 18507 1 687 . 1 1 62 62 GLY HA2 H 1 4.299 0.005 . 2 . . . A 62 GLY HA2 . 18507 1 688 . 1 1 62 62 GLY HA3 H 1 3.664 0.005 . 2 . . . A 62 GLY HA3 . 18507 1 689 . 1 1 62 62 GLY C C 13 171.313 0.000 . 1 . . . A 62 GLY C . 18507 1 690 . 1 1 62 62 GLY CA C 13 43.469 0.130 . 1 . . . A 62 GLY CA . 18507 1 691 . 1 1 62 62 GLY N N 15 111.529 0.027 . 1 . . . A 62 GLY N . 18507 1 692 . 1 1 63 63 GLU H H 1 8.015 0.005 . 1 . . . A 63 GLU H . 18507 1 693 . 1 1 63 63 GLU HA H 1 4.782 0.004 . 1 . . . A 63 GLU HA . 18507 1 694 . 1 1 63 63 GLU HB2 H 1 1.737 0.004 . 2 . . . A 63 GLU HB2 . 18507 1 695 . 1 1 63 63 GLU HB3 H 1 1.737 0.004 . 2 . . . A 63 GLU HB3 . 18507 1 696 . 1 1 63 63 GLU HG2 H 1 1.848 0.004 . 2 . . . A 63 GLU HG2 . 18507 1 697 . 1 1 63 63 GLU HG3 H 1 1.741 0.004 . 2 . . . A 63 GLU HG3 . 18507 1 698 . 1 1 63 63 GLU C C 13 175.530 0.000 . 1 . . . A 63 GLU C . 18507 1 699 . 1 1 63 63 GLU CA C 13 54.978 0.072 . 1 . . . A 63 GLU CA . 18507 1 700 . 1 1 63 63 GLU CB C 13 31.383 0.076 . 1 . . . A 63 GLU CB . 18507 1 701 . 1 1 63 63 GLU CG C 13 36.910 0.097 . 1 . . . A 63 GLU CG . 18507 1 702 . 1 1 63 63 GLU N N 15 119.100 0.049 . 1 . . . A 63 GLU N . 18507 1 703 . 1 1 64 64 HIS H H 1 8.830 0.004 . 1 . . . A 64 HIS H . 18507 1 704 . 1 1 64 64 HIS HA H 1 4.817 0.011 . 1 . . . A 64 HIS HA . 18507 1 705 . 1 1 64 64 HIS HB2 H 1 2.902 0.010 . 2 . . . A 64 HIS HB2 . 18507 1 706 . 1 1 64 64 HIS HB3 H 1 2.855 0.016 . 2 . . . A 64 HIS HB3 . 18507 1 707 . 1 1 64 64 HIS HD2 H 1 6.677 0.012 . 1 . . . A 64 HIS HD2 . 18507 1 708 . 1 1 64 64 HIS HE1 H 1 7.590 0.001 . 1 . . . A 64 HIS HE1 . 18507 1 709 . 1 1 64 64 HIS C C 13 174.358 0.000 . 1 . . . A 64 HIS C . 18507 1 710 . 1 1 64 64 HIS CA C 13 54.970 0.075 . 1 . . . A 64 HIS CA . 18507 1 711 . 1 1 64 64 HIS CB C 13 34.109 0.046 . 1 . . . A 64 HIS CB . 18507 1 712 . 1 1 64 64 HIS N N 15 121.786 0.026 . 1 . . . A 64 HIS N . 18507 1 713 . 1 1 65 65 GLN H H 1 8.637 0.005 . 1 . . . A 65 GLN H . 18507 1 714 . 1 1 65 65 GLN HA H 1 5.761 0.005 . 1 . . . A 65 GLN HA . 18507 1 715 . 1 1 65 65 GLN HB2 H 1 2.288 0.009 . 2 . . . A 65 GLN HB2 . 18507 1 716 . 1 1 65 65 GLN HB3 H 1 1.955 0.005 . 2 . . . A 65 GLN HB3 . 18507 1 717 . 1 1 65 65 GLN HG2 H 1 2.222 0.007 . 2 . . . A 65 GLN HG2 . 18507 1 718 . 1 1 65 65 GLN HG3 H 1 2.628 0.004 . 2 . . . A 65 GLN HG3 . 18507 1 719 . 1 1 65 65 GLN HE21 H 1 6.827 0.005 . 2 . . . A 65 GLN HE21 . 18507 1 720 . 1 1 65 65 GLN HE22 H 1 7.627 0.040 . 2 . . . A 65 GLN HE22 . 18507 1 721 . 1 1 65 65 GLN C C 13 175.833 0.000 . 1 . . . A 65 GLN C . 18507 1 722 . 1 1 65 65 GLN CA C 13 53.833 0.095 . 1 . . . A 65 GLN CA . 18507 1 723 . 1 1 65 65 GLN CB C 13 32.265 0.057 . 1 . . . A 65 GLN CB . 18507 1 724 . 1 1 65 65 GLN CG C 13 34.685 0.105 . 1 . . . A 65 GLN CG . 18507 1 725 . 1 1 65 65 GLN N N 15 121.667 0.075 . 1 . . . A 65 GLN N . 18507 1 726 . 1 1 65 65 GLN NE2 N 15 111.538 0.121 . 1 . . . A 65 GLN NE2 . 18507 1 727 . 1 1 66 66 TYR H H 1 8.894 0.004 . 1 . . . A 66 TYR H . 18507 1 728 . 1 1 66 66 TYR HA H 1 5.175 0.007 . 1 . . . A 66 TYR HA . 18507 1 729 . 1 1 66 66 TYR HB2 H 1 2.873 0.006 . 2 . . . A 66 TYR HB2 . 18507 1 730 . 1 1 66 66 TYR HB3 H 1 2.900 0.016 . 2 . . . A 66 TYR HB3 . 18507 1 731 . 1 1 66 66 TYR HD1 H 1 6.416 0.002 . 3 . . . A 66 TYR HD1 . 18507 1 732 . 1 1 66 66 TYR HD2 H 1 6.416 0.002 . 3 . . . A 66 TYR HD2 . 18507 1 733 . 1 1 66 66 TYR HE1 H 1 6.695 0.009 . 3 . . . A 66 TYR HE1 . 18507 1 734 . 1 1 66 66 TYR HE2 H 1 6.695 0.009 . 3 . . . A 66 TYR HE2 . 18507 1 735 . 1 1 66 66 TYR C C 13 171.751 0.000 . 1 . . . A 66 TYR C . 18507 1 736 . 1 1 66 66 TYR CA C 13 56.983 0.078 . 1 . . . A 66 TYR CA . 18507 1 737 . 1 1 66 66 TYR CB C 13 40.730 0.061 . 1 . . . A 66 TYR CB . 18507 1 738 . 1 1 66 66 TYR N N 15 116.908 0.064 . 1 . . . A 66 TYR N . 18507 1 739 . 1 1 67 67 LYS H H 1 8.927 0.009 . 1 . . . A 67 LYS H . 18507 1 740 . 1 1 67 67 LYS HA H 1 4.633 0.007 . 1 . . . A 67 LYS HA . 18507 1 741 . 1 1 67 67 LYS HB2 H 1 2.332 0.014 . 2 . . . A 67 LYS HB2 . 18507 1 742 . 1 1 67 67 LYS HB3 H 1 2.332 0.014 . 2 . . . A 67 LYS HB3 . 18507 1 743 . 1 1 67 67 LYS HG2 H 1 2.276 0.016 . 2 . . . A 67 LYS HG2 . 18507 1 744 . 1 1 67 67 LYS HG3 H 1 1.887 0.007 . 2 . . . A 67 LYS HG3 . 18507 1 745 . 1 1 67 67 LYS HD2 H 1 1.872 0.006 . 2 . . . A 67 LYS HD2 . 18507 1 746 . 1 1 67 67 LYS HD3 H 1 2.175 0.005 . 2 . . . A 67 LYS HD3 . 18507 1 747 . 1 1 67 67 LYS HE2 H 1 2.791 0.004 . 2 . . . A 67 LYS HE2 . 18507 1 748 . 1 1 67 67 LYS HE3 H 1 3.046 0.003 . 2 . . . A 67 LYS HE3 . 18507 1 749 . 1 1 67 67 LYS C C 13 173.317 0.000 . 1 . . . A 67 LYS C . 18507 1 750 . 1 1 67 67 LYS CA C 13 56.876 0.068 . 1 . . . A 67 LYS CA . 18507 1 751 . 1 1 67 67 LYS CB C 13 37.200 0.075 . 1 . . . A 67 LYS CB . 18507 1 752 . 1 1 67 67 LYS CG C 13 29.500 0.137 . 1 . . . A 67 LYS CG . 18507 1 753 . 1 1 67 67 LYS CD C 13 28.012 0.087 . 1 . . . A 67 LYS CD . 18507 1 754 . 1 1 67 67 LYS CE C 13 42.799 0.014 . 1 . . . A 67 LYS CE . 18507 1 755 . 1 1 67 67 LYS N N 15 118.307 0.043 . 1 . . . A 67 LYS N . 18507 1 756 . 1 1 68 68 PHE H H 1 8.436 0.003 . 1 . . . A 68 PHE H . 18507 1 757 . 1 1 68 68 PHE HA H 1 5.531 0.008 . 1 . . . A 68 PHE HA . 18507 1 758 . 1 1 68 68 PHE HB2 H 1 2.683 0.011 . 2 . . . A 68 PHE HB2 . 18507 1 759 . 1 1 68 68 PHE HB3 H 1 2.284 0.007 . 2 . . . A 68 PHE HB3 . 18507 1 760 . 1 1 68 68 PHE HD1 H 1 7.180 0.002 . 3 . . . A 68 PHE HD1 . 18507 1 761 . 1 1 68 68 PHE HD2 H 1 7.180 0.002 . 3 . . . A 68 PHE HD2 . 18507 1 762 . 1 1 68 68 PHE HE1 H 1 7.536 0.003 . 3 . . . A 68 PHE HE1 . 18507 1 763 . 1 1 68 68 PHE HE2 H 1 7.536 0.003 . 3 . . . A 68 PHE HE2 . 18507 1 764 . 1 1 68 68 PHE HZ H 1 7.774 0.003 . 1 . . . A 68 PHE HZ . 18507 1 765 . 1 1 68 68 PHE C C 13 173.861 0.000 . 1 . . . A 68 PHE C . 18507 1 766 . 1 1 68 68 PHE CA C 13 56.948 0.092 . 1 . . . A 68 PHE CA . 18507 1 767 . 1 1 68 68 PHE CB C 13 41.272 0.082 . 1 . . . A 68 PHE CB . 18507 1 768 . 1 1 68 68 PHE N N 15 118.691 0.028 . 1 . . . A 68 PHE N . 18507 1 769 . 1 1 69 69 PHE H H 1 9.000 0.004 . 1 . . . A 69 PHE H . 18507 1 770 . 1 1 69 69 PHE HA H 1 4.723 0.006 . 1 . . . A 69 PHE HA . 18507 1 771 . 1 1 69 69 PHE HB2 H 1 2.372 0.006 . 2 . . . A 69 PHE HB2 . 18507 1 772 . 1 1 69 69 PHE HB3 H 1 1.082 0.008 . 2 . . . A 69 PHE HB3 . 18507 1 773 . 1 1 69 69 PHE HD1 H 1 5.665 0.007 . 3 . . . A 69 PHE HD1 . 18507 1 774 . 1 1 69 69 PHE HD2 H 1 5.665 0.007 . 3 . . . A 69 PHE HD2 . 18507 1 775 . 1 1 69 69 PHE HE1 H 1 6.732 0.003 . 3 . . . A 69 PHE HE1 . 18507 1 776 . 1 1 69 69 PHE HE2 H 1 6.732 0.003 . 3 . . . A 69 PHE HE2 . 18507 1 777 . 1 1 69 69 PHE HZ H 1 6.888 0.001 . 1 . . . A 69 PHE HZ . 18507 1 778 . 1 1 69 69 PHE C C 13 174.574 0.000 . 1 . . . A 69 PHE C . 18507 1 779 . 1 1 69 69 PHE CA C 13 55.836 0.091 . 1 . . . A 69 PHE CA . 18507 1 780 . 1 1 69 69 PHE CB C 13 40.156 0.100 . 1 . . . A 69 PHE CB . 18507 1 781 . 1 1 69 69 PHE N N 15 125.718 0.028 . 1 . . . A 69 PHE N . 18507 1 782 . 1 1 70 70 VAL H H 1 8.688 0.003 . 1 . . . A 70 VAL H . 18507 1 783 . 1 1 70 70 VAL HA H 1 4.323 0.005 . 1 . . . A 70 VAL HA . 18507 1 784 . 1 1 70 70 VAL HB H 1 1.518 0.005 . 1 . . . A 70 VAL HB . 18507 1 785 . 1 1 70 70 VAL HG11 H 1 0.621 0.004 . 2 . . . A 70 VAL HG11 . 18507 1 786 . 1 1 70 70 VAL HG12 H 1 0.621 0.004 . 2 . . . A 70 VAL HG12 . 18507 1 787 . 1 1 70 70 VAL HG13 H 1 0.621 0.004 . 2 . . . A 70 VAL HG13 . 18507 1 788 . 1 1 70 70 VAL HG21 H 1 -0.260 0.008 . 2 . . . A 70 VAL HG21 . 18507 1 789 . 1 1 70 70 VAL HG22 H 1 -0.260 0.008 . 2 . . . A 70 VAL HG22 . 18507 1 790 . 1 1 70 70 VAL HG23 H 1 -0.260 0.008 . 2 . . . A 70 VAL HG23 . 18507 1 791 . 1 1 70 70 VAL C C 13 175.641 0.000 . 1 . . . A 70 VAL C . 18507 1 792 . 1 1 70 70 VAL CA C 13 60.508 0.245 . 1 . . . A 70 VAL CA . 18507 1 793 . 1 1 70 70 VAL CB C 13 33.470 0.046 . 1 . . . A 70 VAL CB . 18507 1 794 . 1 1 70 70 VAL CG1 C 13 20.474 0.275 . 2 . . . A 70 VAL CG1 . 18507 1 795 . 1 1 70 70 VAL CG2 C 13 20.185 0.168 . 2 . . . A 70 VAL CG2 . 18507 1 796 . 1 1 70 70 VAL N N 15 126.808 0.049 . 1 . . . A 70 VAL N . 18507 1 797 . 1 1 71 71 ASP H H 1 8.890 0.004 . 1 . . . A 71 ASP H . 18507 1 798 . 1 1 71 71 ASP HA H 1 4.235 0.004 . 1 . . . A 71 ASP HA . 18507 1 799 . 1 1 71 71 ASP HB2 H 1 2.696 0.008 . 2 . . . A 71 ASP HB2 . 18507 1 800 . 1 1 71 71 ASP HB3 H 1 2.499 0.008 . 2 . . . A 71 ASP HB3 . 18507 1 801 . 1 1 71 71 ASP C C 13 176.119 0.000 . 1 . . . A 71 ASP C . 18507 1 802 . 1 1 71 71 ASP CA C 13 55.649 0.102 . 1 . . . A 71 ASP CA . 18507 1 803 . 1 1 71 71 ASP CB C 13 39.629 0.087 . 1 . . . A 71 ASP CB . 18507 1 804 . 1 1 71 71 ASP N N 15 128.747 0.029 . 1 . . . A 71 ASP N . 18507 1 805 . 1 1 72 72 GLY H H 1 7.437 0.005 . 1 . . . A 72 GLY H . 18507 1 806 . 1 1 72 72 GLY HA2 H 1 3.849 0.006 . 2 . . . A 72 GLY HA2 . 18507 1 807 . 1 1 72 72 GLY HA3 H 1 2.923 0.005 . 2 . . . A 72 GLY HA3 . 18507 1 808 . 1 1 72 72 GLY C C 13 173.149 0.000 . 1 . . . A 72 GLY C . 18507 1 809 . 1 1 72 72 GLY CA C 13 45.255 0.186 . 1 . . . A 72 GLY CA . 18507 1 810 . 1 1 72 72 GLY N N 15 100.856 0.046 . 1 . . . A 72 GLY N . 18507 1 811 . 1 1 73 73 GLN H H 1 6.923 0.004 . 1 . . . A 73 GLN H . 18507 1 812 . 1 1 73 73 GLN HA H 1 4.480 0.007 . 1 . . . A 73 GLN HA . 18507 1 813 . 1 1 73 73 GLN HB2 H 1 1.956 0.004 . 2 . . . A 73 GLN HB2 . 18507 1 814 . 1 1 73 73 GLN HB3 H 1 1.731 0.005 . 2 . . . A 73 GLN HB3 . 18507 1 815 . 1 1 73 73 GLN HG2 H 1 2.213 0.004 . 2 . . . A 73 GLN HG2 . 18507 1 816 . 1 1 73 73 GLN HG3 H 1 2.134 0.005 . 2 . . . A 73 GLN HG3 . 18507 1 817 . 1 1 73 73 GLN HE21 H 1 6.819 0.006 . 2 . . . A 73 GLN HE21 . 18507 1 818 . 1 1 73 73 GLN HE22 H 1 7.526 0.010 . 2 . . . A 73 GLN HE22 . 18507 1 819 . 1 1 73 73 GLN C C 13 173.981 0.000 . 1 . . . A 73 GLN C . 18507 1 820 . 1 1 73 73 GLN CA C 13 53.285 0.120 . 1 . . . A 73 GLN CA . 18507 1 821 . 1 1 73 73 GLN CB C 13 31.910 0.105 . 1 . . . A 73 GLN CB . 18507 1 822 . 1 1 73 73 GLN CG C 13 32.938 0.047 . 1 . . . A 73 GLN CG . 18507 1 823 . 1 1 73 73 GLN N N 15 117.716 0.064 . 1 . . . A 73 GLN N . 18507 1 824 . 1 1 73 73 GLN NE2 N 15 111.984 0.058 . 1 . . . A 73 GLN NE2 . 18507 1 825 . 1 1 74 74 TRP H H 1 8.836 0.005 . 1 . . . A 74 TRP H . 18507 1 826 . 1 1 74 74 TRP HA H 1 5.813 0.006 . 1 . . . A 74 TRP HA . 18507 1 827 . 1 1 74 74 TRP HB2 H 1 3.064 0.007 . 2 . . . A 74 TRP HB2 . 18507 1 828 . 1 1 74 74 TRP HB3 H 1 3.291 0.004 . 2 . . . A 74 TRP HB3 . 18507 1 829 . 1 1 74 74 TRP HD1 H 1 7.476 0.000 . 1 . . . A 74 TRP HD1 . 18507 1 830 . 1 1 74 74 TRP HE1 H 1 10.036 0.004 . 1 . . . A 74 TRP HE1 . 18507 1 831 . 1 1 74 74 TRP HE3 H 1 7.687 0.002 . 1 . . . A 74 TRP HE3 . 18507 1 832 . 1 1 74 74 TRP HZ2 H 1 7.054 0.003 . 1 . . . A 74 TRP HZ2 . 18507 1 833 . 1 1 74 74 TRP HZ3 H 1 6.946 0.002 . 1 . . . A 74 TRP HZ3 . 18507 1 834 . 1 1 74 74 TRP HH2 H 1 7.003 0.004 . 1 . . . A 74 TRP HH2 . 18507 1 835 . 1 1 74 74 TRP C C 13 177.239 0.000 . 1 . . . A 74 TRP C . 18507 1 836 . 1 1 74 74 TRP CA C 13 56.788 0.071 . 1 . . . A 74 TRP CA . 18507 1 837 . 1 1 74 74 TRP CB C 13 29.918 0.070 . 1 . . . A 74 TRP CB . 18507 1 838 . 1 1 74 74 TRP N N 15 123.738 0.054 . 1 . . . A 74 TRP N . 18507 1 839 . 1 1 74 74 TRP NE1 N 15 130.187 0.025 . 1 . . . A 74 TRP NE1 . 18507 1 840 . 1 1 75 75 VAL H H 1 10.049 0.006 . 1 . . . A 75 VAL H . 18507 1 841 . 1 1 75 75 VAL HA H 1 4.986 0.005 . 1 . . . A 75 VAL HA . 18507 1 842 . 1 1 75 75 VAL HB H 1 2.309 0.003 . 1 . . . A 75 VAL HB . 18507 1 843 . 1 1 75 75 VAL HG11 H 1 0.907 0.006 . 2 . . . A 75 VAL HG11 . 18507 1 844 . 1 1 75 75 VAL HG12 H 1 0.907 0.006 . 2 . . . A 75 VAL HG12 . 18507 1 845 . 1 1 75 75 VAL HG13 H 1 0.907 0.006 . 2 . . . A 75 VAL HG13 . 18507 1 846 . 1 1 75 75 VAL HG21 H 1 0.774 0.007 . 2 . . . A 75 VAL HG21 . 18507 1 847 . 1 1 75 75 VAL HG22 H 1 0.774 0.007 . 2 . . . A 75 VAL HG22 . 18507 1 848 . 1 1 75 75 VAL HG23 H 1 0.774 0.007 . 2 . . . A 75 VAL HG23 . 18507 1 849 . 1 1 75 75 VAL C C 13 172.903 0.000 . 1 . . . A 75 VAL C . 18507 1 850 . 1 1 75 75 VAL CA C 13 60.625 0.268 . 1 . . . A 75 VAL CA . 18507 1 851 . 1 1 75 75 VAL CB C 13 36.654 0.073 . 1 . . . A 75 VAL CB . 18507 1 852 . 1 1 75 75 VAL CG1 C 13 22.447 0.111 . 2 . . . A 75 VAL CG1 . 18507 1 853 . 1 1 75 75 VAL CG2 C 13 21.002 0.232 . 2 . . . A 75 VAL CG2 . 18507 1 854 . 1 1 75 75 VAL N N 15 121.900 0.048 . 1 . . . A 75 VAL N . 18507 1 855 . 1 1 76 76 HIS H H 1 7.758 0.003 . 1 . . . A 76 HIS H . 18507 1 856 . 1 1 76 76 HIS HA H 1 5.578 0.003 . 1 . . . A 76 HIS HA . 18507 1 857 . 1 1 76 76 HIS HB2 H 1 3.198 0.005 . 2 . . . A 76 HIS HB2 . 18507 1 858 . 1 1 76 76 HIS HB3 H 1 2.807 0.007 . 2 . . . A 76 HIS HB3 . 18507 1 859 . 1 1 76 76 HIS HD2 H 1 6.513 0.004 . 1 . . . A 76 HIS HD2 . 18507 1 860 . 1 1 76 76 HIS HE1 H 1 7.802 0.000 . 1 . . . A 76 HIS HE1 . 18507 1 861 . 1 1 76 76 HIS C C 13 173.084 0.000 . 1 . . . A 76 HIS C . 18507 1 862 . 1 1 76 76 HIS CA C 13 54.260 0.058 . 1 . . . A 76 HIS CA . 18507 1 863 . 1 1 76 76 HIS CB C 13 32.807 0.053 . 1 . . . A 76 HIS CB . 18507 1 864 . 1 1 76 76 HIS N N 15 119.400 0.090 . 1 . . . A 76 HIS N . 18507 1 865 . 1 1 77 77 ASP H H 1 10.717 0.004 . 1 . . . A 77 ASP H . 18507 1 866 . 1 1 77 77 ASP HA H 1 5.104 0.008 . 1 . . . A 77 ASP HA . 18507 1 867 . 1 1 77 77 ASP HB2 H 1 3.283 0.004 . 2 . . . A 77 ASP HB2 . 18507 1 868 . 1 1 77 77 ASP HB3 H 1 2.980 0.008 . 2 . . . A 77 ASP HB3 . 18507 1 869 . 1 1 77 77 ASP CA C 13 50.464 0.069 . 1 . . . A 77 ASP CA . 18507 1 870 . 1 1 77 77 ASP CB C 13 42.269 0.080 . 1 . . . A 77 ASP CB . 18507 1 871 . 1 1 77 77 ASP N N 15 121.057 0.075 . 1 . . . A 77 ASP N . 18507 1 872 . 1 1 78 78 PRO HA H 1 4.535 0.003 . 1 . . . A 78 PRO HA . 18507 1 873 . 1 1 78 78 PRO HB2 H 1 2.083 0.011 . 2 . . . A 78 PRO HB2 . 18507 1 874 . 1 1 78 78 PRO HB3 H 1 2.299 0.007 . 2 . . . A 78 PRO HB3 . 18507 1 875 . 1 1 78 78 PRO HG2 H 1 1.908 0.011 . 2 . . . A 78 PRO HG2 . 18507 1 876 . 1 1 78 78 PRO HG3 H 1 1.814 0.008 . 2 . . . A 78 PRO HG3 . 18507 1 877 . 1 1 78 78 PRO HD2 H 1 3.998 0.004 . 2 . . . A 78 PRO HD2 . 18507 1 878 . 1 1 78 78 PRO HD3 H 1 3.817 0.007 . 2 . . . A 78 PRO HD3 . 18507 1 879 . 1 1 78 78 PRO C C 13 177.387 0.000 . 1 . . . A 78 PRO C . 18507 1 880 . 1 1 78 78 PRO CA C 13 63.597 0.282 . 1 . . . A 78 PRO CA . 18507 1 881 . 1 1 78 78 PRO CB C 13 32.326 0.050 . 1 . . . A 78 PRO CB . 18507 1 882 . 1 1 78 78 PRO CG C 13 26.780 0.118 . 1 . . . A 78 PRO CG . 18507 1 883 . 1 1 78 78 PRO CD C 13 50.960 0.042 . 1 . . . A 78 PRO CD . 18507 1 884 . 1 1 79 79 SER H H 1 8.853 0.004 . 1 . . . A 79 SER H . 18507 1 885 . 1 1 79 79 SER HA H 1 4.477 0.006 . 1 . . . A 79 SER HA . 18507 1 886 . 1 1 79 79 SER HB2 H 1 3.861 0.007 . 2 . . . A 79 SER HB2 . 18507 1 887 . 1 1 79 79 SER HB3 H 1 3.999 0.006 . 2 . . . A 79 SER HB3 . 18507 1 888 . 1 1 79 79 SER C C 13 173.819 0.000 . 1 . . . A 79 SER C . 18507 1 889 . 1 1 79 79 SER CA C 13 59.369 0.196 . 1 . . . A 79 SER CA . 18507 1 890 . 1 1 79 79 SER CB C 13 63.875 0.080 . 1 . . . A 79 SER CB . 18507 1 891 . 1 1 79 79 SER N N 15 116.058 0.038 . 1 . . . A 79 SER N . 18507 1 892 . 1 1 80 80 GLU H H 1 7.332 0.003 . 1 . . . A 80 GLU H . 18507 1 893 . 1 1 80 80 GLU HA H 1 4.959 0.005 . 1 . . . A 80 GLU HA . 18507 1 894 . 1 1 80 80 GLU HB2 H 1 1.809 0.005 . 2 . . . A 80 GLU HB2 . 18507 1 895 . 1 1 80 80 GLU HB3 H 1 2.636 0.007 . 2 . . . A 80 GLU HB3 . 18507 1 896 . 1 1 80 80 GLU HG2 H 1 2.226 0.006 . 2 . . . A 80 GLU HG2 . 18507 1 897 . 1 1 80 80 GLU HG3 H 1 2.700 0.008 . 2 . . . A 80 GLU HG3 . 18507 1 898 . 1 1 80 80 GLU CA C 13 53.401 0.043 . 1 . . . A 80 GLU CA . 18507 1 899 . 1 1 80 80 GLU CB C 13 30.620 0.063 . 1 . . . A 80 GLU CB . 18507 1 900 . 1 1 80 80 GLU CG C 13 35.123 0.024 . 1 . . . A 80 GLU CG . 18507 1 901 . 1 1 80 80 GLU N N 15 122.620 0.035 . 1 . . . A 80 GLU N . 18507 1 902 . 1 1 81 81 PRO HA H 1 4.439 0.005 . 1 . . . A 81 PRO HA . 18507 1 903 . 1 1 81 81 PRO HB2 H 1 2.364 0.005 . 2 . . . A 81 PRO HB2 . 18507 1 904 . 1 1 81 81 PRO HB3 H 1 2.062 0.045 . 2 . . . A 81 PRO HB3 . 18507 1 905 . 1 1 81 81 PRO HG2 H 1 2.199 0.006 . 2 . . . A 81 PRO HG2 . 18507 1 906 . 1 1 81 81 PRO HG3 H 1 2.446 0.005 . 2 . . . A 81 PRO HG3 . 18507 1 907 . 1 1 81 81 PRO HD2 H 1 4.015 0.004 . 2 . . . A 81 PRO HD2 . 18507 1 908 . 1 1 81 81 PRO C C 13 177.020 0.000 . 1 . . . A 81 PRO C . 18507 1 909 . 1 1 81 81 PRO CA C 13 63.696 0.214 . 1 . . . A 81 PRO CA . 18507 1 910 . 1 1 81 81 PRO CB C 13 28.219 0.059 . 1 . . . A 81 PRO CB . 18507 1 911 . 1 1 82 82 VAL H H 1 8.221 0.004 . 1 . . . A 82 VAL H . 18507 1 912 . 1 1 82 82 VAL HA H 1 5.467 0.004 . 1 . . . A 82 VAL HA . 18507 1 913 . 1 1 82 82 VAL HB H 1 1.934 0.004 . 1 . . . A 82 VAL HB . 18507 1 914 . 1 1 82 82 VAL HG11 H 1 0.851 0.021 . 2 . . . A 82 VAL HG11 . 18507 1 915 . 1 1 82 82 VAL HG12 H 1 0.851 0.021 . 2 . . . A 82 VAL HG12 . 18507 1 916 . 1 1 82 82 VAL HG13 H 1 0.851 0.021 . 2 . . . A 82 VAL HG13 . 18507 1 917 . 1 1 82 82 VAL HG21 H 1 0.770 0.004 . 2 . . . A 82 VAL HG21 . 18507 1 918 . 1 1 82 82 VAL HG22 H 1 0.770 0.004 . 2 . . . A 82 VAL HG22 . 18507 1 919 . 1 1 82 82 VAL HG23 H 1 0.770 0.004 . 2 . . . A 82 VAL HG23 . 18507 1 920 . 1 1 82 82 VAL C C 13 175.787 0.000 . 1 . . . A 82 VAL C . 18507 1 921 . 1 1 82 82 VAL CA C 13 58.599 0.068 . 1 . . . A 82 VAL CA . 18507 1 922 . 1 1 82 82 VAL CB C 13 36.758 0.066 . 1 . . . A 82 VAL CB . 18507 1 923 . 1 1 82 82 VAL CG1 C 13 22.771 0.318 . 2 . . . A 82 VAL CG1 . 18507 1 924 . 1 1 82 82 VAL CG2 C 13 17.929 0.267 . 2 . . . A 82 VAL CG2 . 18507 1 925 . 1 1 82 82 VAL N N 15 114.720 0.072 . 1 . . . A 82 VAL N . 18507 1 926 . 1 1 83 83 VAL H H 1 8.898 0.004 . 1 . . . A 83 VAL H . 18507 1 927 . 1 1 83 83 VAL HA H 1 4.410 0.009 . 1 . . . A 83 VAL HA . 18507 1 928 . 1 1 83 83 VAL HB H 1 1.955 0.011 . 1 . . . A 83 VAL HB . 18507 1 929 . 1 1 83 83 VAL HG11 H 1 0.780 0.006 . 2 . . . A 83 VAL HG11 . 18507 1 930 . 1 1 83 83 VAL HG12 H 1 0.780 0.006 . 2 . . . A 83 VAL HG12 . 18507 1 931 . 1 1 83 83 VAL HG13 H 1 0.780 0.006 . 2 . . . A 83 VAL HG13 . 18507 1 932 . 1 1 83 83 VAL HG21 H 1 0.833 0.007 . 2 . . . A 83 VAL HG21 . 18507 1 933 . 1 1 83 83 VAL HG22 H 1 0.833 0.007 . 2 . . . A 83 VAL HG22 . 18507 1 934 . 1 1 83 83 VAL HG23 H 1 0.833 0.007 . 2 . . . A 83 VAL HG23 . 18507 1 935 . 1 1 83 83 VAL C C 13 173.384 0.000 . 1 . . . A 83 VAL C . 18507 1 936 . 1 1 83 83 VAL CA C 13 59.533 0.388 . 1 . . . A 83 VAL CA . 18507 1 937 . 1 1 83 83 VAL CB C 13 35.305 0.101 . 1 . . . A 83 VAL CB . 18507 1 938 . 1 1 83 83 VAL CG1 C 13 20.964 0.048 . 2 . . . A 83 VAL CG1 . 18507 1 939 . 1 1 83 83 VAL CG2 C 13 20.696 0.577 . 2 . . . A 83 VAL CG2 . 18507 1 940 . 1 1 83 83 VAL N N 15 117.999 0.119 . 1 . . . A 83 VAL N . 18507 1 941 . 1 1 84 84 THR H H 1 8.309 0.004 . 1 . . . A 84 THR H . 18507 1 942 . 1 1 84 84 THR HA H 1 4.751 0.007 . 1 . . . A 84 THR HA . 18507 1 943 . 1 1 84 84 THR HB H 1 3.905 0.007 . 1 . . . A 84 THR HB . 18507 1 944 . 1 1 84 84 THR HG21 H 1 1.105 0.004 . 1 . . . A 84 THR HG21 . 18507 1 945 . 1 1 84 84 THR HG22 H 1 1.105 0.004 . 1 . . . A 84 THR HG22 . 18507 1 946 . 1 1 84 84 THR HG23 H 1 1.105 0.004 . 1 . . . A 84 THR HG23 . 18507 1 947 . 1 1 84 84 THR C C 13 174.975 0.000 . 1 . . . A 84 THR C . 18507 1 948 . 1 1 84 84 THR CA C 13 61.446 0.255 . 1 . . . A 84 THR CA . 18507 1 949 . 1 1 84 84 THR CB C 13 68.959 0.214 . 1 . . . A 84 THR CB . 18507 1 950 . 1 1 84 84 THR CG2 C 13 21.248 0.115 . 1 . . . A 84 THR CG2 . 18507 1 951 . 1 1 84 84 THR N N 15 120.469 0.018 . 1 . . . A 84 THR N . 18507 1 952 . 1 1 85 85 SER H H 1 9.137 0.006 . 1 . . . A 85 SER H . 18507 1 953 . 1 1 85 85 SER HA H 1 4.533 0.004 . 1 . . . A 85 SER HA . 18507 1 954 . 1 1 85 85 SER HB2 H 1 4.145 0.003 . 2 . . . A 85 SER HB2 . 18507 1 955 . 1 1 85 85 SER HB3 H 1 3.763 0.002 . 2 . . . A 85 SER HB3 . 18507 1 956 . 1 1 85 85 SER CA C 13 57.027 0.061 . 1 . . . A 85 SER CA . 18507 1 957 . 1 1 85 85 SER CB C 13 65.264 0.258 . 1 . . . A 85 SER CB . 18507 1 958 . 1 1 85 85 SER N N 15 123.544 0.030 . 1 . . . A 85 SER N . 18507 1 959 . 1 1 86 86 GLN HA H 1 4.092 0.004 . 1 . . . A 86 GLN HA . 18507 1 960 . 1 1 86 86 GLN HB2 H 1 2.047 0.004 . 2 . . . A 86 GLN HB2 . 18507 1 961 . 1 1 86 86 GLN HG2 H 1 2.372 0.006 . 2 . . . A 86 GLN HG2 . 18507 1 962 . 1 1 86 86 GLN C C 13 176.451 0.000 . 1 . . . A 86 GLN C . 18507 1 963 . 1 1 86 86 GLN CA C 13 58.070 0.086 . 1 . . . A 86 GLN CA . 18507 1 964 . 1 1 86 86 GLN CB C 13 28.135 0.106 . 1 . . . A 86 GLN CB . 18507 1 965 . 1 1 86 86 GLN CG C 13 33.663 0.025 . 1 . . . A 86 GLN CG . 18507 1 966 . 1 1 87 87 LEU H H 1 7.692 0.004 . 1 . . . A 87 LEU H . 18507 1 967 . 1 1 87 87 LEU HA H 1 4.259 0.003 . 1 . . . A 87 LEU HA . 18507 1 968 . 1 1 87 87 LEU HB2 H 1 1.554 0.005 . 2 . . . A 87 LEU HB2 . 18507 1 969 . 1 1 87 87 LEU HB3 H 1 1.404 0.009 . 2 . . . A 87 LEU HB3 . 18507 1 970 . 1 1 87 87 LEU HG H 1 1.448 0.007 . 1 . . . A 87 LEU HG . 18507 1 971 . 1 1 87 87 LEU HD11 H 1 0.699 0.002 . 1 . . . A 87 LEU HD11 . 18507 1 972 . 1 1 87 87 LEU HD12 H 1 0.699 0.002 . 1 . . . A 87 LEU HD12 . 18507 1 973 . 1 1 87 87 LEU HD13 H 1 0.699 0.002 . 1 . . . A 87 LEU HD13 . 18507 1 974 . 1 1 87 87 LEU HD21 H 1 0.682 0.004 . 1 . . . A 87 LEU HD21 . 18507 1 975 . 1 1 87 87 LEU HD22 H 1 0.682 0.004 . 1 . . . A 87 LEU HD22 . 18507 1 976 . 1 1 87 87 LEU HD23 H 1 0.682 0.004 . 1 . . . A 87 LEU HD23 . 18507 1 977 . 1 1 87 87 LEU C C 13 177.470 0.000 . 1 . . . A 87 LEU C . 18507 1 978 . 1 1 87 87 LEU CA C 13 54.650 0.064 . 1 . . . A 87 LEU CA . 18507 1 979 . 1 1 87 87 LEU CB C 13 41.676 0.042 . 1 . . . A 87 LEU CB . 18507 1 980 . 1 1 87 87 LEU CG C 13 26.996 0.063 . 1 . . . A 87 LEU CG . 18507 1 981 . 1 1 87 87 LEU CD1 C 13 22.787 0.271 . 2 . . . A 87 LEU CD1 . 18507 1 982 . 1 1 87 87 LEU CD2 C 13 24.738 0.027 . 2 . . . A 87 LEU CD2 . 18507 1 983 . 1 1 87 87 LEU N N 15 117.032 0.050 . 1 . . . A 87 LEU N . 18507 1 984 . 1 1 88 88 GLY H H 1 7.932 0.003 . 1 . . . A 88 GLY H . 18507 1 985 . 1 1 88 88 GLY HA2 H 1 4.127 0.005 . 2 . . . A 88 GLY HA2 . 18507 1 986 . 1 1 88 88 GLY HA3 H 1 3.469 0.004 . 2 . . . A 88 GLY HA3 . 18507 1 987 . 1 1 88 88 GLY C C 13 174.029 0.000 . 1 . . . A 88 GLY C . 18507 1 988 . 1 1 88 88 GLY CA C 13 45.262 0.120 . 1 . . . A 88 GLY CA . 18507 1 989 . 1 1 88 88 GLY N N 15 107.770 0.025 . 1 . . . A 88 GLY N . 18507 1 990 . 1 1 89 89 THR H H 1 7.148 0.004 . 1 . . . A 89 THR H . 18507 1 991 . 1 1 89 89 THR HA H 1 4.259 0.006 . 1 . . . A 89 THR HA . 18507 1 992 . 1 1 89 89 THR HB H 1 3.895 0.004 . 1 . . . A 89 THR HB . 18507 1 993 . 1 1 89 89 THR HG21 H 1 0.877 0.007 . 1 . . . A 89 THR HG21 . 18507 1 994 . 1 1 89 89 THR HG22 H 1 0.877 0.007 . 1 . . . A 89 THR HG22 . 18507 1 995 . 1 1 89 89 THR HG23 H 1 0.877 0.007 . 1 . . . A 89 THR HG23 . 18507 1 996 . 1 1 89 89 THR C C 13 172.837 0.000 . 1 . . . A 89 THR C . 18507 1 997 . 1 1 89 89 THR CA C 13 60.743 0.083 . 1 . . . A 89 THR CA . 18507 1 998 . 1 1 89 89 THR CB C 13 69.845 0.199 . 1 . . . A 89 THR CB . 18507 1 999 . 1 1 89 89 THR CG2 C 13 21.923 0.030 . 1 . . . A 89 THR CG2 . 18507 1 1000 . 1 1 89 89 THR N N 15 112.596 0.018 . 1 . . . A 89 THR N . 18507 1 1001 . 1 1 90 90 ILE H H 1 8.514 0.006 . 1 . . . A 90 ILE H . 18507 1 1002 . 1 1 90 90 ILE HA H 1 4.410 0.005 . 1 . . . A 90 ILE HA . 18507 1 1003 . 1 1 90 90 ILE HB H 1 1.338 0.007 . 1 . . . A 90 ILE HB . 18507 1 1004 . 1 1 90 90 ILE HG12 H 1 0.882 0.007 . 2 . . . A 90 ILE HG12 . 18507 1 1005 . 1 1 90 90 ILE HG13 H 1 1.357 0.002 . 2 . . . A 90 ILE HG13 . 18507 1 1006 . 1 1 90 90 ILE HG21 H 1 0.130 0.004 . 1 . . . A 90 ILE HG21 . 18507 1 1007 . 1 1 90 90 ILE HG22 H 1 0.130 0.004 . 1 . . . A 90 ILE HG22 . 18507 1 1008 . 1 1 90 90 ILE HG23 H 1 0.130 0.004 . 1 . . . A 90 ILE HG23 . 18507 1 1009 . 1 1 90 90 ILE HD11 H 1 0.619 0.003 . 1 . . . A 90 ILE HD11 . 18507 1 1010 . 1 1 90 90 ILE HD12 H 1 0.619 0.003 . 1 . . . A 90 ILE HD12 . 18507 1 1011 . 1 1 90 90 ILE HD13 H 1 0.619 0.003 . 1 . . . A 90 ILE HD13 . 18507 1 1012 . 1 1 90 90 ILE C C 13 175.007 0.000 . 1 . . . A 90 ILE C . 18507 1 1013 . 1 1 90 90 ILE CA C 13 60.551 0.231 . 1 . . . A 90 ILE CA . 18507 1 1014 . 1 1 90 90 ILE CB C 13 38.935 0.051 . 1 . . . A 90 ILE CB . 18507 1 1015 . 1 1 90 90 ILE CG1 C 13 27.392 0.065 . 1 . . . A 90 ILE CG1 . 18507 1 1016 . 1 1 90 90 ILE CG2 C 13 16.847 0.203 . 1 . . . A 90 ILE CG2 . 18507 1 1017 . 1 1 90 90 ILE CD1 C 13 12.889 0.275 . 1 . . . A 90 ILE CD1 . 18507 1 1018 . 1 1 90 90 ILE N N 15 123.927 0.065 . 1 . . . A 90 ILE N . 18507 1 1019 . 1 1 91 91 ASN H H 1 8.497 0.004 . 1 . . . A 91 ASN H . 18507 1 1020 . 1 1 91 91 ASN HA H 1 5.287 0.004 . 1 . . . A 91 ASN HA . 18507 1 1021 . 1 1 91 91 ASN HB2 H 1 3.096 0.007 . 2 . . . A 91 ASN HB2 . 18507 1 1022 . 1 1 91 91 ASN HB3 H 1 2.366 0.012 . 2 . . . A 91 ASN HB3 . 18507 1 1023 . 1 1 91 91 ASN HD21 H 1 6.366 0.005 . 2 . . . A 91 ASN HD21 . 18507 1 1024 . 1 1 91 91 ASN HD22 H 1 7.764 0.005 . 2 . . . A 91 ASN HD22 . 18507 1 1025 . 1 1 91 91 ASN C C 13 175.916 0.000 . 1 . . . A 91 ASN C . 18507 1 1026 . 1 1 91 91 ASN CA C 13 50.976 0.086 . 1 . . . A 91 ASN CA . 18507 1 1027 . 1 1 91 91 ASN CB C 13 42.176 0.104 . 1 . . . A 91 ASN CB . 18507 1 1028 . 1 1 91 91 ASN N N 15 123.450 0.072 . 1 . . . A 91 ASN N . 18507 1 1029 . 1 1 91 91 ASN ND2 N 15 110.237 0.134 . 1 . . . A 91 ASN ND2 . 18507 1 1030 . 1 1 92 92 ASN H H 1 8.721 0.005 . 1 . . . A 92 ASN H . 18507 1 1031 . 1 1 92 92 ASN HA H 1 5.611 0.006 . 1 . . . A 92 ASN HA . 18507 1 1032 . 1 1 92 92 ASN HB2 H 1 2.404 0.006 . 2 . . . A 92 ASN HB2 . 18507 1 1033 . 1 1 92 92 ASN HB3 H 1 1.122 0.005 . 2 . . . A 92 ASN HB3 . 18507 1 1034 . 1 1 92 92 ASN HD21 H 1 7.047 0.006 . 2 . . . A 92 ASN HD21 . 18507 1 1035 . 1 1 92 92 ASN HD22 H 1 8.126 0.006 . 2 . . . A 92 ASN HD22 . 18507 1 1036 . 1 1 92 92 ASN C C 13 173.765 0.000 . 1 . . . A 92 ASN C . 18507 1 1037 . 1 1 92 92 ASN CA C 13 54.812 0.088 . 1 . . . A 92 ASN CA . 18507 1 1038 . 1 1 92 92 ASN CB C 13 41.743 0.100 . 1 . . . A 92 ASN CB . 18507 1 1039 . 1 1 92 92 ASN N N 15 115.675 0.033 . 1 . . . A 92 ASN N . 18507 1 1040 . 1 1 92 92 ASN ND2 N 15 108.312 0.167 . 1 . . . A 92 ASN ND2 . 18507 1 1041 . 1 1 93 93 LEU H H 1 7.661 0.005 . 1 . . . A 93 LEU H . 18507 1 1042 . 1 1 93 93 LEU HA H 1 5.337 0.004 . 1 . . . A 93 LEU HA . 18507 1 1043 . 1 1 93 93 LEU HB2 H 1 1.425 0.005 . 2 . . . A 93 LEU HB2 . 18507 1 1044 . 1 1 93 93 LEU HB3 H 1 1.218 0.006 . 2 . . . A 93 LEU HB3 . 18507 1 1045 . 1 1 93 93 LEU HG H 1 1.299 0.005 . 1 . . . A 93 LEU HG . 18507 1 1046 . 1 1 93 93 LEU HD11 H 1 0.777 0.005 . 1 . . . A 93 LEU HD11 . 18507 1 1047 . 1 1 93 93 LEU HD12 H 1 0.777 0.005 . 1 . . . A 93 LEU HD12 . 18507 1 1048 . 1 1 93 93 LEU HD13 H 1 0.777 0.005 . 1 . . . A 93 LEU HD13 . 18507 1 1049 . 1 1 93 93 LEU HD21 H 1 0.769 0.003 . 1 . . . A 93 LEU HD21 . 18507 1 1050 . 1 1 93 93 LEU HD22 H 1 0.769 0.003 . 1 . . . A 93 LEU HD22 . 18507 1 1051 . 1 1 93 93 LEU HD23 H 1 0.769 0.003 . 1 . . . A 93 LEU HD23 . 18507 1 1052 . 1 1 93 93 LEU C C 13 175.864 0.000 . 1 . . . A 93 LEU C . 18507 1 1053 . 1 1 93 93 LEU CA C 13 53.522 0.077 . 1 . . . A 93 LEU CA . 18507 1 1054 . 1 1 93 93 LEU CB C 13 47.123 0.043 . 1 . . . A 93 LEU CB . 18507 1 1055 . 1 1 93 93 LEU CG C 13 27.410 0.082 . 1 . . . A 93 LEU CG . 18507 1 1056 . 1 1 93 93 LEU CD1 C 13 24.605 0.218 . 2 . . . A 93 LEU CD1 . 18507 1 1057 . 1 1 93 93 LEU CD2 C 13 25.619 0.160 . 2 . . . A 93 LEU CD2 . 18507 1 1058 . 1 1 93 93 LEU N N 15 120.001 0.033 . 1 . . . A 93 LEU N . 18507 1 1059 . 1 1 94 94 ILE H H 1 9.282 0.006 . 1 . . . A 94 ILE H . 18507 1 1060 . 1 1 94 94 ILE HA H 1 4.847 0.005 . 1 . . . A 94 ILE HA . 18507 1 1061 . 1 1 94 94 ILE HB H 1 2.085 0.004 . 1 . . . A 94 ILE HB . 18507 1 1062 . 1 1 94 94 ILE HG12 H 1 1.673 0.007 . 2 . . . A 94 ILE HG12 . 18507 1 1063 . 1 1 94 94 ILE HG13 H 1 1.016 0.014 . 2 . . . A 94 ILE HG13 . 18507 1 1064 . 1 1 94 94 ILE HG21 H 1 0.932 0.003 . 1 . . . A 94 ILE HG21 . 18507 1 1065 . 1 1 94 94 ILE HG22 H 1 0.932 0.003 . 1 . . . A 94 ILE HG22 . 18507 1 1066 . 1 1 94 94 ILE HG23 H 1 0.932 0.003 . 1 . . . A 94 ILE HG23 . 18507 1 1067 . 1 1 94 94 ILE HD11 H 1 0.771 0.003 . 1 . . . A 94 ILE HD11 . 18507 1 1068 . 1 1 94 94 ILE HD12 H 1 0.771 0.003 . 1 . . . A 94 ILE HD12 . 18507 1 1069 . 1 1 94 94 ILE HD13 H 1 0.771 0.003 . 1 . . . A 94 ILE HD13 . 18507 1 1070 . 1 1 94 94 ILE C C 13 172.078 0.000 . 1 . . . A 94 ILE C . 18507 1 1071 . 1 1 94 94 ILE CA C 13 59.351 0.223 . 1 . . . A 94 ILE CA . 18507 1 1072 . 1 1 94 94 ILE CB C 13 42.091 0.053 . 1 . . . A 94 ILE CB . 18507 1 1073 . 1 1 94 94 ILE CG1 C 13 29.318 0.159 . 1 . . . A 94 ILE CG1 . 18507 1 1074 . 1 1 94 94 ILE CG2 C 13 16.721 0.316 . 1 . . . A 94 ILE CG2 . 18507 1 1075 . 1 1 94 94 ILE CD1 C 13 14.675 0.232 . 1 . . . A 94 ILE CD1 . 18507 1 1076 . 1 1 94 94 ILE N N 15 124.682 0.062 . 1 . . . A 94 ILE N . 18507 1 1077 . 1 1 95 95 HIS H H 1 8.690 0.003 . 1 . . . A 95 HIS H . 18507 1 1078 . 1 1 95 95 HIS HA H 1 5.110 0.004 . 1 . . . A 95 HIS HA . 18507 1 1079 . 1 1 95 95 HIS HB2 H 1 3.090 0.003 . 2 . . . A 95 HIS HB2 . 18507 1 1080 . 1 1 95 95 HIS HB3 H 1 2.923 0.005 . 2 . . . A 95 HIS HB3 . 18507 1 1081 . 1 1 95 95 HIS HD2 H 1 6.863 0.000 . 1 . . . A 95 HIS HD2 . 18507 1 1082 . 1 1 95 95 HIS HE1 H 1 7.979 0.000 . 1 . . . A 95 HIS HE1 . 18507 1 1083 . 1 1 95 95 HIS C C 13 174.655 0.000 . 1 . . . A 95 HIS C . 18507 1 1084 . 1 1 95 95 HIS CA C 13 54.334 0.103 . 1 . . . A 95 HIS CA . 18507 1 1085 . 1 1 95 95 HIS CB C 13 31.399 0.111 . 1 . . . A 95 HIS CB . 18507 1 1086 . 1 1 95 95 HIS N N 15 126.782 0.054 . 1 . . . A 95 HIS N . 18507 1 1087 . 1 1 96 96 VAL H H 1 9.082 0.006 . 1 . . . A 96 VAL H . 18507 1 1088 . 1 1 96 96 VAL HA H 1 4.115 0.005 . 1 . . . A 96 VAL HA . 18507 1 1089 . 1 1 96 96 VAL HB H 1 2.392 0.007 . 1 . . . A 96 VAL HB . 18507 1 1090 . 1 1 96 96 VAL HG11 H 1 0.785 0.005 . 2 . . . A 96 VAL HG11 . 18507 1 1091 . 1 1 96 96 VAL HG12 H 1 0.785 0.005 . 2 . . . A 96 VAL HG12 . 18507 1 1092 . 1 1 96 96 VAL HG13 H 1 0.785 0.005 . 2 . . . A 96 VAL HG13 . 18507 1 1093 . 1 1 96 96 VAL HG21 H 1 0.956 0.005 . 2 . . . A 96 VAL HG21 . 18507 1 1094 . 1 1 96 96 VAL HG22 H 1 0.956 0.005 . 2 . . . A 96 VAL HG22 . 18507 1 1095 . 1 1 96 96 VAL HG23 H 1 0.956 0.005 . 2 . . . A 96 VAL HG23 . 18507 1 1096 . 1 1 96 96 VAL C C 13 175.515 0.000 . 1 . . . A 96 VAL C . 18507 1 1097 . 1 1 96 96 VAL CA C 13 62.502 0.002 . 1 . . . A 96 VAL CA . 18507 1 1098 . 1 1 96 96 VAL CB C 13 32.332 0.047 . 1 . . . A 96 VAL CB . 18507 1 1099 . 1 1 96 96 VAL CG1 C 13 21.122 0.236 . 2 . . . A 96 VAL CG1 . 18507 1 1100 . 1 1 96 96 VAL CG2 C 13 22.256 0.233 . 2 . . . A 96 VAL CG2 . 18507 1 1101 . 1 1 96 96 VAL N N 15 128.616 0.090 . 1 . . . A 96 VAL N . 18507 1 1102 . 1 1 97 97 LYS H H 1 8.708 0.005 . 1 . . . A 97 LYS H . 18507 1 1103 . 1 1 97 97 LYS HA H 1 4.550 0.005 . 1 . . . A 97 LYS HA . 18507 1 1104 . 1 1 97 97 LYS HB2 H 1 1.777 0.006 . 2 . . . A 97 LYS HB2 . 18507 1 1105 . 1 1 97 97 LYS HB3 H 1 1.613 0.006 . 2 . . . A 97 LYS HB3 . 18507 1 1106 . 1 1 97 97 LYS HG2 H 1 1.244 0.005 . 2 . . . A 97 LYS HG2 . 18507 1 1107 . 1 1 97 97 LYS HG3 H 1 1.244 0.005 . 2 . . . A 97 LYS HG3 . 18507 1 1108 . 1 1 97 97 LYS HD2 H 1 1.571 0.000 . 2 . . . A 97 LYS HD2 . 18507 1 1109 . 1 1 97 97 LYS HD3 H 1 1.545 0.006 . 2 . . . A 97 LYS HD3 . 18507 1 1110 . 1 1 97 97 LYS HE2 H 1 2.822 0.005 . 2 . . . A 97 LYS HE2 . 18507 1 1111 . 1 1 97 97 LYS HE3 H 1 2.822 0.005 . 2 . . . A 97 LYS HE3 . 18507 1 1112 . 1 1 97 97 LYS C C 13 176.019 0.000 . 1 . . . A 97 LYS C . 18507 1 1113 . 1 1 97 97 LYS CA C 13 55.091 0.093 . 1 . . . A 97 LYS CA . 18507 1 1114 . 1 1 97 97 LYS CB C 13 34.588 0.042 . 1 . . . A 97 LYS CB . 18507 1 1115 . 1 1 97 97 LYS CG C 13 24.717 0.032 . 1 . . . A 97 LYS CG . 18507 1 1116 . 1 1 97 97 LYS CD C 13 28.968 0.076 . 1 . . . A 97 LYS CD . 18507 1 1117 . 1 1 97 97 LYS CE C 13 41.706 0.145 . 1 . . . A 97 LYS CE . 18507 1 1118 . 1 1 97 97 LYS N N 15 128.692 0.081 . 1 . . . A 97 LYS N . 18507 1 1119 . 1 1 98 98 LYS H H 1 8.717 0.004 . 1 . . . A 98 LYS H . 18507 1 1120 . 1 1 98 98 LYS HA H 1 4.122 0.005 . 1 . . . A 98 LYS HA . 18507 1 1121 . 1 1 98 98 LYS HB2 H 1 1.751 0.009 . 2 . . . A 98 LYS HB2 . 18507 1 1122 . 1 1 98 98 LYS HB3 H 1 1.647 0.007 . 2 . . . A 98 LYS HB3 . 18507 1 1123 . 1 1 98 98 LYS HG2 H 1 1.392 0.008 . 2 . . . A 98 LYS HG2 . 18507 1 1124 . 1 1 98 98 LYS HG3 H 1 1.392 0.008 . 2 . . . A 98 LYS HG3 . 18507 1 1125 . 1 1 98 98 LYS HD2 H 1 1.647 0.002 . 2 . . . A 98 LYS HD2 . 18507 1 1126 . 1 1 98 98 LYS HD3 H 1 1.647 0.002 . 2 . . . A 98 LYS HD3 . 18507 1 1127 . 1 1 98 98 LYS HE2 H 1 2.951 0.005 . 2 . . . A 98 LYS HE2 . 18507 1 1128 . 1 1 98 98 LYS HE3 H 1 2.951 0.005 . 2 . . . A 98 LYS HE3 . 18507 1 1129 . 1 1 98 98 LYS C C 13 176.947 0.000 . 1 . . . A 98 LYS C . 18507 1 1130 . 1 1 98 98 LYS CA C 13 57.232 0.109 . 1 . . . A 98 LYS CA . 18507 1 1131 . 1 1 98 98 LYS CB C 13 32.849 0.060 . 1 . . . A 98 LYS CB . 18507 1 1132 . 1 1 98 98 LYS CG C 13 24.715 0.022 . 1 . . . A 98 LYS CG . 18507 1 1133 . 1 1 98 98 LYS CD C 13 29.095 0.078 . 1 . . . A 98 LYS CD . 18507 1 1134 . 1 1 98 98 LYS CE C 13 41.707 0.149 . 1 . . . A 98 LYS CE . 18507 1 1135 . 1 1 98 98 LYS N N 15 122.635 0.022 . 1 . . . A 98 LYS N . 18507 1 1136 . 1 1 99 99 SER H H 1 8.393 0.006 . 1 . . . A 99 SER H . 18507 1 1137 . 1 1 99 99 SER HA H 1 4.357 0.009 . 1 . . . A 99 SER HA . 18507 1 1138 . 1 1 99 99 SER HB2 H 1 3.732 0.004 . 2 . . . A 99 SER HB2 . 18507 1 1139 . 1 1 99 99 SER HB3 H 1 3.732 0.004 . 2 . . . A 99 SER HB3 . 18507 1 1140 . 1 1 99 99 SER C C 13 174.335 0.000 . 1 . . . A 99 SER C . 18507 1 1141 . 1 1 99 99 SER CA C 13 58.240 0.107 . 1 . . . A 99 SER CA . 18507 1 1142 . 1 1 99 99 SER CB C 13 63.664 0.090 . 1 . . . A 99 SER CB . 18507 1 1143 . 1 1 99 99 SER N N 15 116.737 0.045 . 1 . . . A 99 SER N . 18507 1 1144 . 1 1 100 100 ASP H H 1 8.288 0.013 . 1 . . . A 100 ASP H . 18507 1 1145 . 1 1 100 100 ASP HA H 1 4.526 0.008 . 1 . . . A 100 ASP HA . 18507 1 1146 . 1 1 100 100 ASP HB2 H 1 2.511 0.011 . 2 . . . A 100 ASP HB2 . 18507 1 1147 . 1 1 100 100 ASP HB3 H 1 2.485 0.007 . 2 . . . A 100 ASP HB3 . 18507 1 1148 . 1 1 100 100 ASP C C 13 175.823 0.000 . 1 . . . A 100 ASP C . 18507 1 1149 . 1 1 100 100 ASP CA C 13 54.813 0.065 . 1 . . . A 100 ASP CA . 18507 1 1150 . 1 1 100 100 ASP CB C 13 40.938 0.072 . 1 . . . A 100 ASP CB . 18507 1 1151 . 1 1 100 100 ASP N N 15 122.287 0.085 . 1 . . . A 100 ASP N . 18507 1 1152 . 1 1 101 101 PHE H H 1 7.923 0.002 . 1 . . . A 101 PHE H . 18507 1 1153 . 1 1 101 101 PHE HA H 1 4.575 0.005 . 1 . . . A 101 PHE HA . 18507 1 1154 . 1 1 101 101 PHE HB2 H 1 2.954 0.006 . 2 . . . A 101 PHE HB2 . 18507 1 1155 . 1 1 101 101 PHE HB3 H 1 3.133 0.005 . 2 . . . A 101 PHE HB3 . 18507 1 1156 . 1 1 101 101 PHE HD1 H 1 7.210 0.000 . 3 . . . A 101 PHE HD1 . 18507 1 1157 . 1 1 101 101 PHE HD2 H 1 7.210 0.000 . 3 . . . A 101 PHE HD2 . 18507 1 1158 . 1 1 101 101 PHE C C 13 175.279 0.000 . 1 . . . A 101 PHE C . 18507 1 1159 . 1 1 101 101 PHE CA C 13 57.462 0.082 . 1 . . . A 101 PHE CA . 18507 1 1160 . 1 1 101 101 PHE CB C 13 39.557 0.063 . 1 . . . A 101 PHE CB . 18507 1 1161 . 1 1 101 101 PHE N N 15 118.668 0.051 . 1 . . . A 101 PHE N . 18507 1 1162 . 1 1 102 102 GLU H H 1 8.138 0.005 . 1 . . . A 102 GLU H . 18507 1 1163 . 1 1 102 102 GLU HA H 1 4.180 0.005 . 1 . . . A 102 GLU HA . 18507 1 1164 . 1 1 102 102 GLU HB2 H 1 1.815 0.005 . 2 . . . A 102 GLU HB2 . 18507 1 1165 . 1 1 102 102 GLU HG2 H 1 2.017 0.007 . 2 . . . A 102 GLU HG2 . 18507 1 1166 . 1 1 102 102 GLU HG3 H 1 2.092 0.010 . 2 . . . A 102 GLU HG3 . 18507 1 1167 . 1 1 102 102 GLU C C 13 175.388 0.000 . 1 . . . A 102 GLU C . 18507 1 1168 . 1 1 102 102 GLU CA C 13 56.308 0.081 . 1 . . . A 102 GLU CA . 18507 1 1169 . 1 1 102 102 GLU CB C 13 30.585 0.052 . 1 . . . A 102 GLU CB . 18507 1 1170 . 1 1 102 102 GLU CG C 13 36.279 0.117 . 1 . . . A 102 GLU CG . 18507 1 1171 . 1 1 102 102 GLU N N 15 122.081 0.069 . 1 . . . A 102 GLU N . 18507 1 1172 . 1 1 103 103 VAL H H 1 7.934 0.004 . 1 . . . A 103 VAL H . 18507 1 1173 . 1 1 103 103 VAL HA H 1 4.024 0.006 . 1 . . . A 103 VAL HA . 18507 1 1174 . 1 1 103 103 VAL HB H 1 1.924 0.007 . 1 . . . A 103 VAL HB . 18507 1 1175 . 1 1 103 103 VAL HG11 H 1 0.817 0.009 . 2 . . . A 103 VAL HG11 . 18507 1 1176 . 1 1 103 103 VAL HG12 H 1 0.817 0.009 . 2 . . . A 103 VAL HG12 . 18507 1 1177 . 1 1 103 103 VAL HG13 H 1 0.817 0.009 . 2 . . . A 103 VAL HG13 . 18507 1 1178 . 1 1 103 103 VAL C C 13 175.359 0.000 . 1 . . . A 103 VAL C . 18507 1 1179 . 1 1 103 103 VAL CA C 13 61.673 0.189 . 1 . . . A 103 VAL CA . 18507 1 1180 . 1 1 103 103 VAL CB C 13 33.098 0.122 . 1 . . . A 103 VAL CB . 18507 1 1181 . 1 1 103 103 VAL CG1 C 13 20.897 0.458 . 2 . . . A 103 VAL CG1 . 18507 1 1182 . 1 1 103 103 VAL N N 15 120.545 0.082 . 1 . . . A 103 VAL N . 18507 1 1183 . 1 1 104 104 PHE H H 1 8.340 0.005 . 1 . . . A 104 PHE H . 18507 1 1184 . 1 1 104 104 PHE HA H 1 4.695 0.009 . 1 . . . A 104 PHE HA . 18507 1 1185 . 1 1 104 104 PHE HB2 H 1 3.206 0.005 . 2 . . . A 104 PHE HB2 . 18507 1 1186 . 1 1 104 104 PHE HB3 H 1 2.873 0.006 . 2 . . . A 104 PHE HB3 . 18507 1 1187 . 1 1 104 104 PHE HD1 H 1 7.212 0.004 . 3 . . . A 104 PHE HD1 . 18507 1 1188 . 1 1 104 104 PHE HD2 H 1 7.212 0.004 . 3 . . . A 104 PHE HD2 . 18507 1 1189 . 1 1 104 104 PHE C C 13 174.530 0.000 . 1 . . . A 104 PHE C . 18507 1 1190 . 1 1 104 104 PHE CA C 13 57.140 0.108 . 1 . . . A 104 PHE CA . 18507 1 1191 . 1 1 104 104 PHE CB C 13 39.964 0.067 . 1 . . . A 104 PHE CB . 18507 1 1192 . 1 1 104 104 PHE N N 15 124.359 0.039 . 1 . . . A 104 PHE N . 18507 1 1193 . 1 1 105 105 ASP H H 1 7.950 0.003 . 1 . . . A 105 ASP H . 18507 1 1194 . 1 1 105 105 ASP HA H 1 4.357 0.003 . 1 . . . A 105 ASP HA . 18507 1 1195 . 1 1 105 105 ASP HB2 H 1 2.618 0.002 . 2 . . . A 105 ASP HB2 . 18507 1 1196 . 1 1 105 105 ASP HB3 H 1 2.537 0.003 . 2 . . . A 105 ASP HB3 . 18507 1 1197 . 1 1 105 105 ASP CA C 13 55.756 0.057 . 1 . . . A 105 ASP CA . 18507 1 1198 . 1 1 105 105 ASP CB C 13 42.281 0.071 . 1 . . . A 105 ASP CB . 18507 1 1199 . 1 1 105 105 ASP N N 15 127.042 0.032 . 1 . . . A 105 ASP N . 18507 1 stop_ save_