data_18508 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18508 _Entry.Title ; Solution NMR structure of the beta2 carbohydrate module of AMP-activated protein kinase bound to glucosyl-cyclodextrin ; _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 ; Structure of beta2 CBM in the ligand-bound state. The structure was calculated in the absence of the ligand (glucosyl-cyclodextrin). Haddock docking was used to determine the structure of the complex. ; _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 . . . 18508 2 Ann Koay . . . 18508 3 David Stapleton . . . 18508 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' . 18508 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AMPK . 18508 'carbohydrate binding module' . 18508 CBM . 18508 'glycogen binding' . 18508 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18508 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 18508 '15N chemical shifts' 106 18508 '1H chemical shifts' 698 18508 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' 18508 1 . . 2012-08-23 2012-06-08 original author 'original release' 18508 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18507 'beta2 carbohydrate module of AMP-activated protein kinase bound to glucosyl-cyclodextrin' 18508 PDB 2LU4 'BMRB Entry Tracking System' 18508 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18508 _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 . . . 18508 1 2 Jesse Mobbs . I. . 18508 1 3 Ann Koay . . . 18508 1 4 Gavin Louey . . . 18508 1 5 Yee-Foong Mok . . . 18508 1 6 Danny Hatters . M. . 18508 1 7 Jong-Tae Park . . . 18508 1 8 Kwan-Hwa Park . . . 18508 1 9 Dietbert Neumann . . . 18508 1 10 David Stapleton . . . 18508 1 11 Paul Gooley . R. . 18508 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18508 _Assembly.ID 1 _Assembly.Name 'beta2 carbohydrate module of AMP-activated protein kinase bound to glucosyl-cyclodextrin' _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 . . . 18508 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18508 _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 18507 . entity . . . . . 100.00 105 100.00 100.00 8.34e-70 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 1 9 no DBJ BAE90075 . "unnamed protein product [Macaca fascicularis]" . . . . . 54.29 190 100.00 100.00 2.65e-32 . . . . 18508 1 10 no DBJ BAF85509 . "unnamed protein product [Homo sapiens]" . . . . . 92.38 272 100.00 100.00 1.24e-62 . . . . 18508 1 11 no EMBL CAA12030 . "AMP-activated protein kinase beta 2 subunit [Homo sapiens]" . . . . . 92.38 272 100.00 100.00 1.24e-62 . . . . 18508 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 . . . . 18508 1 13 no EMBL CAH90491 . "hypothetical protein [Pongo abelii]" . . . . . 54.29 190 100.00 100.00 3.82e-32 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 1 17 no GB AAH78821 . "Prkab2 protein [Rattus norvegicus]" . . . . . 92.38 179 100.00 100.00 4.50e-63 . . . . 18508 1 18 no GB AAM74153 . "AMPK beta-2 subunit [Homo sapiens]" . . . . . 92.38 272 100.00 100.00 1.24e-62 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . . . . 18508 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 . 18508 1 2 . ALA . 18508 1 3 . MET . 18508 1 4 . GLY . 18508 1 5 . ILE . 18508 1 6 . ARG . 18508 1 7 . ASN . 18508 1 8 . SER . 18508 1 9 . ASP . 18508 1 10 . SER . 18508 1 11 . VAL . 18508 1 12 . LYS . 18508 1 13 . PRO . 18508 1 14 . THR . 18508 1 15 . GLN . 18508 1 16 . GLN . 18508 1 17 . ALA . 18508 1 18 . ARG . 18508 1 19 . PRO . 18508 1 20 . THR . 18508 1 21 . VAL . 18508 1 22 . ILE . 18508 1 23 . ARG . 18508 1 24 . TRP . 18508 1 25 . SER . 18508 1 26 . GLU . 18508 1 27 . GLY . 18508 1 28 . GLY . 18508 1 29 . LYS . 18508 1 30 . GLU . 18508 1 31 . VAL . 18508 1 32 . PHE . 18508 1 33 . ILE . 18508 1 34 . SER . 18508 1 35 . GLY . 18508 1 36 . SER . 18508 1 37 . PHE . 18508 1 38 . ASN . 18508 1 39 . ASN . 18508 1 40 . TRP . 18508 1 41 . SER . 18508 1 42 . THR . 18508 1 43 . LYS . 18508 1 44 . ILE . 18508 1 45 . PRO . 18508 1 46 . LEU . 18508 1 47 . ILE . 18508 1 48 . LYS . 18508 1 49 . SER . 18508 1 50 . HIS . 18508 1 51 . ASN . 18508 1 52 . ASP . 18508 1 53 . PHE . 18508 1 54 . VAL . 18508 1 55 . ALA . 18508 1 56 . ILE . 18508 1 57 . LEU . 18508 1 58 . ASP . 18508 1 59 . LEU . 18508 1 60 . PRO . 18508 1 61 . GLU . 18508 1 62 . GLY . 18508 1 63 . GLU . 18508 1 64 . HIS . 18508 1 65 . GLN . 18508 1 66 . TYR . 18508 1 67 . LYS . 18508 1 68 . PHE . 18508 1 69 . PHE . 18508 1 70 . VAL . 18508 1 71 . ASP . 18508 1 72 . GLY . 18508 1 73 . GLN . 18508 1 74 . TRP . 18508 1 75 . VAL . 18508 1 76 . HIS . 18508 1 77 . ASP . 18508 1 78 . PRO . 18508 1 79 . SER . 18508 1 80 . GLU . 18508 1 81 . PRO . 18508 1 82 . VAL . 18508 1 83 . VAL . 18508 1 84 . THR . 18508 1 85 . SER . 18508 1 86 . GLN . 18508 1 87 . LEU . 18508 1 88 . GLY . 18508 1 89 . THR . 18508 1 90 . ILE . 18508 1 91 . ASN . 18508 1 92 . ASN . 18508 1 93 . LEU . 18508 1 94 . ILE . 18508 1 95 . HIS . 18508 1 96 . VAL . 18508 1 97 . LYS . 18508 1 98 . LYS . 18508 1 99 . SER . 18508 1 100 . ASP . 18508 1 101 . PHE . 18508 1 102 . GLU . 18508 1 103 . VAL . 18508 1 104 . PHE . 18508 1 105 . ASP . 18508 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 18508 1 . ALA 2 2 18508 1 . MET 3 3 18508 1 . GLY 4 4 18508 1 . ILE 5 5 18508 1 . ARG 6 6 18508 1 . ASN 7 7 18508 1 . SER 8 8 18508 1 . ASP 9 9 18508 1 . SER 10 10 18508 1 . VAL 11 11 18508 1 . LYS 12 12 18508 1 . PRO 13 13 18508 1 . THR 14 14 18508 1 . GLN 15 15 18508 1 . GLN 16 16 18508 1 . ALA 17 17 18508 1 . ARG 18 18 18508 1 . PRO 19 19 18508 1 . THR 20 20 18508 1 . VAL 21 21 18508 1 . ILE 22 22 18508 1 . ARG 23 23 18508 1 . TRP 24 24 18508 1 . SER 25 25 18508 1 . GLU 26 26 18508 1 . GLY 27 27 18508 1 . GLY 28 28 18508 1 . LYS 29 29 18508 1 . GLU 30 30 18508 1 . VAL 31 31 18508 1 . PHE 32 32 18508 1 . ILE 33 33 18508 1 . SER 34 34 18508 1 . GLY 35 35 18508 1 . SER 36 36 18508 1 . PHE 37 37 18508 1 . ASN 38 38 18508 1 . ASN 39 39 18508 1 . TRP 40 40 18508 1 . SER 41 41 18508 1 . THR 42 42 18508 1 . LYS 43 43 18508 1 . ILE 44 44 18508 1 . PRO 45 45 18508 1 . LEU 46 46 18508 1 . ILE 47 47 18508 1 . LYS 48 48 18508 1 . SER 49 49 18508 1 . HIS 50 50 18508 1 . ASN 51 51 18508 1 . ASP 52 52 18508 1 . PHE 53 53 18508 1 . VAL 54 54 18508 1 . ALA 55 55 18508 1 . ILE 56 56 18508 1 . LEU 57 57 18508 1 . ASP 58 58 18508 1 . LEU 59 59 18508 1 . PRO 60 60 18508 1 . GLU 61 61 18508 1 . GLY 62 62 18508 1 . GLU 63 63 18508 1 . HIS 64 64 18508 1 . GLN 65 65 18508 1 . TYR 66 66 18508 1 . LYS 67 67 18508 1 . PHE 68 68 18508 1 . PHE 69 69 18508 1 . VAL 70 70 18508 1 . ASP 71 71 18508 1 . GLY 72 72 18508 1 . GLN 73 73 18508 1 . TRP 74 74 18508 1 . VAL 75 75 18508 1 . HIS 76 76 18508 1 . ASP 77 77 18508 1 . PRO 78 78 18508 1 . SER 79 79 18508 1 . GLU 80 80 18508 1 . PRO 81 81 18508 1 . VAL 82 82 18508 1 . VAL 83 83 18508 1 . THR 84 84 18508 1 . SER 85 85 18508 1 . GLN 86 86 18508 1 . LEU 87 87 18508 1 . GLY 88 88 18508 1 . THR 89 89 18508 1 . ILE 90 90 18508 1 . ASN 91 91 18508 1 . ASN 92 92 18508 1 . LEU 93 93 18508 1 . ILE 94 94 18508 1 . HIS 95 95 18508 1 . VAL 96 96 18508 1 . LYS 97 97 18508 1 . LYS 98 98 18508 1 . SER 99 99 18508 1 . ASP 100 100 18508 1 . PHE 101 101 18508 1 . GLU 102 102 18508 1 . VAL 103 103 18508 1 . PHE 104 104 18508 1 . ASP 105 105 18508 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 18508 _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 . . . . . . . . . . . . . . . . . . . . . 18508 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 18508 _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.' . . 18508 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18508 _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 . . . 18508 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18508 1 3 glucosyl-cyclodextrin 'natural abundance' . . . . . . 2.5 . . mM 0.1 . . . 18508 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18508 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18508 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18508 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18508 _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 . . . 18508 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18508 2 3 glucosyl-cyclodextrin 'natural abundance' . . . . . . 2.5 . . mM 0.1 . . . 18508 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18508 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18508 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18508 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18508 _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 0.1 . . . 18508 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18508 3 3 glucosyl-cyclodextrin 'natural abundance' . . . . . . 2.5 . . mM 0.1 . . . 18508 3 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18508 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18508 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18508 _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 . . . 18508 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18508 4 3 glucosyl-cyclodextrin 'natural abundance' . . . . . . 2.5 . . mM 0.1 . . . 18508 4 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18508 4 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18508 4 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 18508 _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 18508 1 pH 6.9 . pH 18508 1 pressure 1 . atm 18508 1 temperature 298 . K 18508 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18508 _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' . . 18508 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18508 1 'structure solution' 18508 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18508 _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 . . 18508 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18508 2 'peak picking' 18508 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18508 _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' . . 18508 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18508 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18508 _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' . . 18508 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18508 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 18508 _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 18508 _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 18508 _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 . . . 18508 1 2 spectrometer_2 Bruker Avance . 600 . . . 18508 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 18508 _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 . . . . . . . . . . . . . . . . 18508 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18508 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18508 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18508 1 5 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18508 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18508 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18508 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18508 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18508 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18508 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18508 1 12 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18508 1 13 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18508 1 14 '3D HACAHB-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18508 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18508 1 16 '3D13C,15N-filtered,edited NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18508 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 18508 _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 . . . . . . . . . 18508 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18508 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 18508 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 18508 _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' . . . 18508 1 2 '3D HNCACB' . . . 18508 1 3 '3D HNCO' . . . 18508 1 4 '3D HBHA(CO)NH' . . . 18508 1 5 '3D H(CCO)NH' . . . 18508 1 6 '3D C(CO)NH' . . . 18508 1 7 '3D HCCH-TOCSY' . . . 18508 1 8 '2D 1H-1H TOCSY' . . . 18508 1 9 '2D 1H-1H NOESY' . . . 18508 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 C C 13 181.637 0.000 . 1 . . . A 1 GLY C . 18508 1 2 . 1 1 2 2 ALA H H 1 7.160 0.000 . 1 . . . A 2 ALA H . 18508 1 3 . 1 1 2 2 ALA HA H 1 4.355 0.011 . 1 . . . A 2 ALA HA . 18508 1 4 . 1 1 2 2 ALA HB1 H 1 1.386 0.008 . 1 . . . A 2 ALA HB1 . 18508 1 5 . 1 1 2 2 ALA HB2 H 1 1.386 0.008 . 1 . . . A 2 ALA HB2 . 18508 1 6 . 1 1 2 2 ALA HB3 H 1 1.386 0.008 . 1 . . . A 2 ALA HB3 . 18508 1 7 . 1 1 2 2 ALA C C 13 177.706 0.041 . 1 . . . A 2 ALA C . 18508 1 8 . 1 1 2 2 ALA CA C 13 52.606 0.069 . 1 . . . A 2 ALA CA . 18508 1 9 . 1 1 2 2 ALA CB C 13 19.392 0.051 . 1 . . . A 2 ALA CB . 18508 1 10 . 1 1 2 2 ALA N N 15 116.886 0.018 . 1 . . . A 2 ALA N . 18508 1 11 . 1 1 3 3 MET H H 1 8.525 0.003 . 1 . . . A 3 MET H . 18508 1 12 . 1 1 3 3 MET HA H 1 4.477 0.010 . 1 . . . A 3 MET HA . 18508 1 13 . 1 1 3 3 MET HB2 H 1 2.052 0.010 . 2 . . . A 3 MET HB2 . 18508 1 14 . 1 1 3 3 MET HB3 H 1 2.102 0.000 . 2 . . . A 3 MET HB3 . 18508 1 15 . 1 1 3 3 MET HG2 H 1 2.589 0.016 . 2 . . . A 3 MET HG2 . 18508 1 16 . 1 1 3 3 MET HG3 H 1 2.622 0.015 . 2 . . . A 3 MET HG3 . 18508 1 17 . 1 1 3 3 MET C C 13 176.670 0.008 . 1 . . . A 3 MET C . 18508 1 18 . 1 1 3 3 MET CA C 13 55.587 0.033 . 1 . . . A 3 MET CA . 18508 1 19 . 1 1 3 3 MET CB C 13 32.898 0.025 . 1 . . . A 3 MET CB . 18508 1 20 . 1 1 3 3 MET CG C 13 31.897 0.138 . 1 . . . A 3 MET CG . 18508 1 21 . 1 1 3 3 MET N N 15 119.671 0.022 . 1 . . . A 3 MET N . 18508 1 22 . 1 1 4 4 GLY H H 1 8.395 0.003 . 1 . . . A 4 GLY H . 18508 1 23 . 1 1 4 4 GLY HA2 H 1 3.931 0.000 . 2 . . . A 4 GLY HA2 . 18508 1 24 . 1 1 4 4 GLY C C 13 173.834 0.023 . 1 . . . A 4 GLY C . 18508 1 25 . 1 1 4 4 GLY CA C 13 45.322 0.025 . 1 . . . A 4 GLY CA . 18508 1 26 . 1 1 4 4 GLY N N 15 110.196 0.042 . 1 . . . A 4 GLY N . 18508 1 27 . 1 1 5 5 ILE H H 1 7.986 0.005 . 1 . . . A 5 ILE H . 18508 1 28 . 1 1 5 5 ILE HA H 1 4.185 0.020 . 1 . . . A 5 ILE HA . 18508 1 29 . 1 1 5 5 ILE HB H 1 1.850 0.004 . 1 . . . A 5 ILE HB . 18508 1 30 . 1 1 5 5 ILE HG12 H 1 1.178 0.006 . 2 . . . A 5 ILE HG12 . 18508 1 31 . 1 1 5 5 ILE HG13 H 1 1.443 0.010 . 2 . . . A 5 ILE HG13 . 18508 1 32 . 1 1 5 5 ILE HG21 H 1 0.906 0.002 . 1 . . . A 5 ILE HG21 . 18508 1 33 . 1 1 5 5 ILE HG22 H 1 0.906 0.002 . 1 . . . A 5 ILE HG22 . 18508 1 34 . 1 1 5 5 ILE HG23 H 1 0.906 0.002 . 1 . . . A 5 ILE HG23 . 18508 1 35 . 1 1 5 5 ILE HD11 H 1 0.853 0.007 . 1 . . . A 5 ILE HD11 . 18508 1 36 . 1 1 5 5 ILE HD12 H 1 0.853 0.007 . 1 . . . A 5 ILE HD12 . 18508 1 37 . 1 1 5 5 ILE HD13 H 1 0.853 0.007 . 1 . . . A 5 ILE HD13 . 18508 1 38 . 1 1 5 5 ILE C C 13 176.241 0.025 . 1 . . . A 5 ILE C . 18508 1 39 . 1 1 5 5 ILE CA C 13 61.105 0.083 . 1 . . . A 5 ILE CA . 18508 1 40 . 1 1 5 5 ILE CB C 13 38.877 0.104 . 1 . . . A 5 ILE CB . 18508 1 41 . 1 1 5 5 ILE CG1 C 13 27.246 0.031 . 1 . . . A 5 ILE CG1 . 18508 1 42 . 1 1 5 5 ILE CG2 C 13 17.554 0.055 . 1 . . . A 5 ILE CG2 . 18508 1 43 . 1 1 5 5 ILE CD1 C 13 12.863 0.058 . 1 . . . A 5 ILE CD1 . 18508 1 44 . 1 1 5 5 ILE N N 15 120.204 0.042 . 1 . . . A 5 ILE N . 18508 1 45 . 1 1 6 6 ARG H H 1 8.464 0.005 . 1 . . . A 6 ARG H . 18508 1 46 . 1 1 6 6 ARG HA H 1 4.371 0.005 . 1 . . . A 6 ARG HA . 18508 1 47 . 1 1 6 6 ARG HB2 H 1 1.751 0.010 . 2 . . . A 6 ARG HB2 . 18508 1 48 . 1 1 6 6 ARG HB3 H 1 1.835 0.007 . 2 . . . A 6 ARG HB3 . 18508 1 49 . 1 1 6 6 ARG HG2 H 1 1.617 0.005 . 2 . . . A 6 ARG HG2 . 18508 1 50 . 1 1 6 6 ARG HD2 H 1 3.183 0.005 . 2 . . . A 6 ARG HD2 . 18508 1 51 . 1 1 6 6 ARG C C 13 175.963 0.000 . 1 . . . A 6 ARG C . 18508 1 52 . 1 1 6 6 ARG CA C 13 55.901 0.018 . 1 . . . A 6 ARG CA . 18508 1 53 . 1 1 6 6 ARG CB C 13 30.913 0.075 . 1 . . . A 6 ARG CB . 18508 1 54 . 1 1 6 6 ARG CG C 13 27.124 0.000 . 1 . . . A 6 ARG CG . 18508 1 55 . 1 1 6 6 ARG CD C 13 43.351 0.000 . 1 . . . A 6 ARG CD . 18508 1 56 . 1 1 6 6 ARG N N 15 125.289 0.039 . 1 . . . A 6 ARG N . 18508 1 57 . 1 1 7 7 ASN H H 1 8.552 0.008 . 1 . . . A 7 ASN H . 18508 1 58 . 1 1 7 7 ASN HA H 1 4.702 0.008 . 1 . . . A 7 ASN HA . 18508 1 59 . 1 1 7 7 ASN HB2 H 1 2.815 0.013 . 2 . . . A 7 ASN HB2 . 18508 1 60 . 1 1 7 7 ASN HB3 H 1 2.815 0.013 . 2 . . . A 7 ASN HB3 . 18508 1 61 . 1 1 7 7 ASN CA C 13 53.489 0.029 . 1 . . . A 7 ASN CA . 18508 1 62 . 1 1 7 7 ASN CB C 13 38.921 0.073 . 1 . . . A 7 ASN CB . 18508 1 63 . 1 1 7 7 ASN N N 15 120.955 0.076 . 1 . . . A 7 ASN N . 18508 1 64 . 1 1 8 8 SER H H 1 8.369 0.007 . 1 . . . A 8 SER H . 18508 1 65 . 1 1 8 8 SER HA H 1 4.418 0.014 . 1 . . . A 8 SER HA . 18508 1 66 . 1 1 8 8 SER HB2 H 1 3.831 0.016 . 2 . . . A 8 SER HB2 . 18508 1 67 . 1 1 8 8 SER HB3 H 1 3.920 0.005 . 2 . . . A 8 SER HB3 . 18508 1 68 . 1 1 8 8 SER C C 13 174.411 0.000 . 1 . . . A 8 SER C . 18508 1 69 . 1 1 8 8 SER CA C 13 58.729 0.088 . 1 . . . A 8 SER CA . 18508 1 70 . 1 1 8 8 SER CB C 13 63.748 0.065 . 1 . . . A 8 SER CB . 18508 1 71 . 1 1 8 8 SER N N 15 116.049 0.102 . 1 . . . A 8 SER N . 18508 1 72 . 1 1 9 9 ASP H H 1 8.336 0.005 . 1 . . . A 9 ASP H . 18508 1 73 . 1 1 9 9 ASP HA H 1 4.631 0.013 . 1 . . . A 9 ASP HA . 18508 1 74 . 1 1 9 9 ASP HB2 H 1 2.680 0.010 . 2 . . . A 9 ASP HB2 . 18508 1 75 . 1 1 9 9 ASP HB3 H 1 2.680 0.010 . 2 . . . A 9 ASP HB3 . 18508 1 76 . 1 1 9 9 ASP C C 13 176.309 0.002 . 1 . . . A 9 ASP C . 18508 1 77 . 1 1 9 9 ASP CA C 13 54.633 0.103 . 1 . . . A 9 ASP CA . 18508 1 78 . 1 1 9 9 ASP CB C 13 41.099 0.008 . 1 . . . A 9 ASP CB . 18508 1 79 . 1 1 9 9 ASP N N 15 122.115 0.025 . 1 . . . A 9 ASP N . 18508 1 80 . 1 1 10 10 SER H H 1 8.140 0.011 . 1 . . . A 10 SER H . 18508 1 81 . 1 1 10 10 SER HA H 1 4.427 0.004 . 1 . . . A 10 SER HA . 18508 1 82 . 1 1 10 10 SER HB2 H 1 3.848 0.006 . 2 . . . A 10 SER HB2 . 18508 1 83 . 1 1 10 10 SER HB3 H 1 3.848 0.006 . 2 . . . A 10 SER HB3 . 18508 1 84 . 1 1 10 10 SER C C 13 174.344 0.000 . 1 . . . A 10 SER C . 18508 1 85 . 1 1 10 10 SER CA C 13 58.568 0.089 . 1 . . . A 10 SER CA . 18508 1 86 . 1 1 10 10 SER CB C 13 63.894 0.026 . 1 . . . A 10 SER CB . 18508 1 87 . 1 1 10 10 SER N N 15 115.473 0.065 . 1 . . . A 10 SER N . 18508 1 88 . 1 1 11 11 VAL H H 1 8.044 0.014 . 1 . . . A 11 VAL H . 18508 1 89 . 1 1 11 11 VAL HA H 1 4.111 0.008 . 1 . . . A 11 VAL HA . 18508 1 90 . 1 1 11 11 VAL HB H 1 2.062 0.010 . 1 . . . A 11 VAL HB . 18508 1 91 . 1 1 11 11 VAL HG11 H 1 0.909 0.005 . 2 . . . A 11 VAL HG11 . 18508 1 92 . 1 1 11 11 VAL HG12 H 1 0.909 0.005 . 2 . . . A 11 VAL HG12 . 18508 1 93 . 1 1 11 11 VAL HG13 H 1 0.909 0.005 . 2 . . . A 11 VAL HG13 . 18508 1 94 . 1 1 11 11 VAL C C 13 175.840 0.008 . 1 . . . A 11 VAL C . 18508 1 95 . 1 1 11 11 VAL CA C 13 62.225 0.070 . 1 . . . A 11 VAL CA . 18508 1 96 . 1 1 11 11 VAL CB C 13 32.578 0.066 . 1 . . . A 11 VAL CB . 18508 1 97 . 1 1 11 11 VAL CG1 C 13 20.868 0.014 . 2 . . . A 11 VAL CG1 . 18508 1 98 . 1 1 11 11 VAL N N 15 121.765 0.126 . 1 . . . A 11 VAL N . 18508 1 99 . 1 1 12 12 LYS H H 1 8.357 0.009 . 1 . . . A 12 LYS H . 18508 1 100 . 1 1 12 12 LYS HB2 H 1 1.806 0.000 . 2 . . . A 12 LYS HB2 . 18508 1 101 . 1 1 12 12 LYS HG3 H 1 1.458 0.000 . 2 . . . A 12 LYS HG3 . 18508 1 102 . 1 1 12 12 LYS HD3 H 1 1.703 0.000 . 2 . . . A 12 LYS HD3 . 18508 1 103 . 1 1 12 12 LYS CA C 13 54.152 0.000 . 1 . . . A 12 LYS CA . 18508 1 104 . 1 1 12 12 LYS CB C 13 32.576 0.000 . 1 . . . A 12 LYS CB . 18508 1 105 . 1 1 12 12 LYS N N 15 126.665 0.118 . 1 . . . A 12 LYS N . 18508 1 106 . 1 1 13 13 PRO HA H 1 4.487 0.005 . 1 . . . A 13 PRO HA . 18508 1 107 . 1 1 13 13 PRO HB2 H 1 1.915 0.006 . 2 . . . A 13 PRO HB2 . 18508 1 108 . 1 1 13 13 PRO HB3 H 1 2.300 0.006 . 2 . . . A 13 PRO HB3 . 18508 1 109 . 1 1 13 13 PRO HG2 H 1 2.011 0.002 . 2 . . . A 13 PRO HG2 . 18508 1 110 . 1 1 13 13 PRO HG3 H 1 2.011 0.002 . 2 . . . A 13 PRO HG3 . 18508 1 111 . 1 1 13 13 PRO HD2 H 1 3.652 0.005 . 2 . . . A 13 PRO HD2 . 18508 1 112 . 1 1 13 13 PRO HD3 H 1 3.843 0.007 . 2 . . . A 13 PRO HD3 . 18508 1 113 . 1 1 13 13 PRO C C 13 177.048 0.011 . 1 . . . A 13 PRO C . 18508 1 114 . 1 1 13 13 PRO CA C 13 63.143 0.012 . 1 . . . A 13 PRO CA . 18508 1 115 . 1 1 13 13 PRO CB C 13 32.185 0.045 . 1 . . . A 13 PRO CB . 18508 1 116 . 1 1 13 13 PRO CG C 13 27.421 0.024 . 1 . . . A 13 PRO CG . 18508 1 117 . 1 1 13 13 PRO CD C 13 50.750 0.040 . 1 . . . A 13 PRO CD . 18508 1 118 . 1 1 14 14 THR H H 1 8.235 0.003 . 1 . . . A 14 THR H . 18508 1 119 . 1 1 14 14 THR HA H 1 4.280 0.010 . 1 . . . A 14 THR HA . 18508 1 120 . 1 1 14 14 THR HB H 1 4.184 0.006 . 1 . . . A 14 THR HB . 18508 1 121 . 1 1 14 14 THR HG21 H 1 1.210 0.006 . . . . . A 14 THR HG21 . 18508 1 122 . 1 1 14 14 THR HG22 H 1 1.210 0.006 . . . . . A 14 THR HG22 . 18508 1 123 . 1 1 14 14 THR HG23 H 1 1.210 0.006 . . . . . A 14 THR HG23 . 18508 1 124 . 1 1 14 14 THR C C 13 174.490 0.015 . 1 . . . A 14 THR C . 18508 1 125 . 1 1 14 14 THR CA C 13 62.033 0.085 . 1 . . . A 14 THR CA . 18508 1 126 . 1 1 14 14 THR CB C 13 69.818 0.071 . 1 . . . A 14 THR CB . 18508 1 127 . 1 1 14 14 THR CG2 C 13 21.702 0.200 . 1 . . . A 14 THR CG2 . 18508 1 128 . 1 1 14 14 THR N N 15 114.592 0.040 . 1 . . . A 14 THR N . 18508 1 129 . 1 1 15 15 GLN H H 1 8.382 0.005 . 1 . . . A 15 GLN H . 18508 1 130 . 1 1 15 15 GLN HA H 1 4.370 0.005 . 1 . . . A 15 GLN HA . 18508 1 131 . 1 1 15 15 GLN HB2 H 1 1.959 0.006 . 2 . . . A 15 GLN HB2 . 18508 1 132 . 1 1 15 15 GLN HB3 H 1 2.063 0.008 . 2 . . . A 15 GLN HB3 . 18508 1 133 . 1 1 15 15 GLN HG2 H 1 2.315 0.007 . 2 . . . A 15 GLN HG2 . 18508 1 134 . 1 1 15 15 GLN HG3 H 1 2.315 0.007 . 2 . . . A 15 GLN HG3 . 18508 1 135 . 1 1 15 15 GLN HE21 H 1 6.879 0.004 . 2 . . . A 15 GLN HE21 . 18508 1 136 . 1 1 15 15 GLN HE22 H 1 7.555 0.001 . 2 . . . A 15 GLN HE22 . 18508 1 137 . 1 1 15 15 GLN C C 13 175.455 0.010 . 1 . . . A 15 GLN C . 18508 1 138 . 1 1 15 15 GLN CA C 13 55.624 0.079 . 1 . . . A 15 GLN CA . 18508 1 139 . 1 1 15 15 GLN CB C 13 29.713 0.027 . 1 . . . A 15 GLN CB . 18508 1 140 . 1 1 15 15 GLN CG C 13 33.785 0.035 . 1 . . . A 15 GLN CG . 18508 1 141 . 1 1 15 15 GLN N N 15 122.606 0.036 . 1 . . . A 15 GLN N . 18508 1 142 . 1 1 15 15 GLN NE2 N 15 112.194 0.260 . 1 . . . A 15 GLN NE2 . 18508 1 143 . 1 1 16 16 GLN H H 1 8.454 0.004 . 1 . . . A 16 GLN H . 18508 1 144 . 1 1 16 16 GLN HA H 1 4.287 0.006 . 1 . . . A 16 GLN HA . 18508 1 145 . 1 1 16 16 GLN HB2 H 1 1.893 0.009 . 2 . . . A 16 GLN HB2 . 18508 1 146 . 1 1 16 16 GLN HB3 H 1 2.005 0.008 . 2 . . . A 16 GLN HB3 . 18508 1 147 . 1 1 16 16 GLN HG2 H 1 2.302 0.007 . 2 . . . A 16 GLN HG2 . 18508 1 148 . 1 1 16 16 GLN HG3 H 1 2.302 0.007 . 2 . . . A 16 GLN HG3 . 18508 1 149 . 1 1 16 16 GLN C C 13 175.106 0.018 . 1 . . . A 16 GLN C . 18508 1 150 . 1 1 16 16 GLN CA C 13 55.628 0.077 . 1 . . . A 16 GLN CA . 18508 1 151 . 1 1 16 16 GLN CB C 13 29.783 0.050 . 1 . . . A 16 GLN CB . 18508 1 152 . 1 1 16 16 GLN CG C 13 33.708 0.007 . 1 . . . A 16 GLN CG . 18508 1 153 . 1 1 16 16 GLN N N 15 122.140 0.024 . 1 . . . A 16 GLN N . 18508 1 154 . 1 1 17 17 ALA H H 1 8.330 0.004 . 1 . . . A 17 ALA H . 18508 1 155 . 1 1 17 17 ALA HA H 1 4.323 0.008 . 1 . . . A 17 ALA HA . 18508 1 156 . 1 1 17 17 ALA HB1 H 1 1.170 0.008 . 1 . . . A 17 ALA HB1 . 18508 1 157 . 1 1 17 17 ALA HB2 H 1 1.170 0.008 . 1 . . . A 17 ALA HB2 . 18508 1 158 . 1 1 17 17 ALA HB3 H 1 1.170 0.008 . 1 . . . A 17 ALA HB3 . 18508 1 159 . 1 1 17 17 ALA C C 13 176.727 0.008 . 1 . . . A 17 ALA C . 18508 1 160 . 1 1 17 17 ALA CA C 13 51.835 0.078 . 1 . . . A 17 ALA CA . 18508 1 161 . 1 1 17 17 ALA CB C 13 19.883 0.048 . 1 . . . A 17 ALA CB . 18508 1 162 . 1 1 17 17 ALA N N 15 125.456 0.029 . 1 . . . A 17 ALA N . 18508 1 163 . 1 1 18 18 ARG H H 1 8.547 0.007 . 1 . . . A 18 ARG H . 18508 1 164 . 1 1 18 18 ARG HA H 1 4.648 0.004 . 1 . . . A 18 ARG HA . 18508 1 165 . 1 1 18 18 ARG HB2 H 1 1.637 0.013 . 2 . . . A 18 ARG HB2 . 18508 1 166 . 1 1 18 18 ARG HB3 H 1 1.775 0.008 . 2 . . . A 18 ARG HB3 . 18508 1 167 . 1 1 18 18 ARG HG2 H 1 1.837 0.000 . 2 . . . A 18 ARG HG2 . 18508 1 168 . 1 1 18 18 ARG HG3 H 1 1.608 0.010 . 2 . . . A 18 ARG HG3 . 18508 1 169 . 1 1 18 18 ARG HD2 H 1 3.116 0.008 . 2 . . . A 18 ARG HD2 . 18508 1 170 . 1 1 18 18 ARG HD3 H 1 3.177 0.008 . 2 . . . A 18 ARG HD3 . 18508 1 171 . 1 1 18 18 ARG C C 13 174.137 0.000 . 1 . . . A 18 ARG C . 18508 1 172 . 1 1 18 18 ARG CA C 13 53.331 0.029 . 1 . . . A 18 ARG CA . 18508 1 173 . 1 1 18 18 ARG CB C 13 30.829 0.038 . 1 . . . A 18 ARG CB . 18508 1 174 . 1 1 18 18 ARG CG C 13 26.870 0.120 . 1 . . . A 18 ARG CG . 18508 1 175 . 1 1 18 18 ARG CD C 13 43.264 0.058 . 1 . . . A 18 ARG CD . 18508 1 176 . 1 1 18 18 ARG N N 15 122.051 0.027 . 1 . . . A 18 ARG N . 18508 1 177 . 1 1 19 19 PRO HA H 1 4.612 0.016 . 1 . . . A 19 PRO HA . 18508 1 178 . 1 1 19 19 PRO HB2 H 1 2.076 0.009 . 2 . . . A 19 PRO HB2 . 18508 1 179 . 1 1 19 19 PRO HB3 H 1 1.644 0.009 . 2 . . . A 19 PRO HB3 . 18508 1 180 . 1 1 19 19 PRO HG2 H 1 1.914 0.007 . 2 . . . A 19 PRO HG2 . 18508 1 181 . 1 1 19 19 PRO HD2 H 1 3.579 0.007 . 2 . . . A 19 PRO HD2 . 18508 1 182 . 1 1 19 19 PRO HD3 H 1 3.760 0.008 . 2 . . . A 19 PRO HD3 . 18508 1 183 . 1 1 19 19 PRO C C 13 176.168 0.015 . 1 . . . A 19 PRO C . 18508 1 184 . 1 1 19 19 PRO CA C 13 63.182 0.017 . 1 . . . A 19 PRO CA . 18508 1 185 . 1 1 19 19 PRO CB C 13 32.172 0.081 . 1 . . . A 19 PRO CB . 18508 1 186 . 1 1 19 19 PRO CG C 13 27.123 0.027 . 1 . . . A 19 PRO CG . 18508 1 187 . 1 1 19 19 PRO CD C 13 50.857 0.027 . 1 . . . A 19 PRO CD . 18508 1 188 . 1 1 20 20 THR H H 1 9.060 0.003 . 1 . . . A 20 THR H . 18508 1 189 . 1 1 20 20 THR HA H 1 4.236 0.011 . 1 . . . A 20 THR HA . 18508 1 190 . 1 1 20 20 THR HB H 1 3.728 0.008 . 1 . . . A 20 THR HB . 18508 1 191 . 1 1 20 20 THR HG21 H 1 0.963 0.012 . 1 . . . A 20 THR HG21 . 18508 1 192 . 1 1 20 20 THR HG22 H 1 0.963 0.012 . 1 . . . A 20 THR HG22 . 18508 1 193 . 1 1 20 20 THR HG23 H 1 0.963 0.012 . 1 . . . A 20 THR HG23 . 18508 1 194 . 1 1 20 20 THR C C 13 172.353 0.018 . 1 . . . A 20 THR C . 18508 1 195 . 1 1 20 20 THR CA C 13 63.190 0.065 . 1 . . . A 20 THR CA . 18508 1 196 . 1 1 20 20 THR CB C 13 71.081 0.077 . 1 . . . A 20 THR CB . 18508 1 197 . 1 1 20 20 THR CG2 C 13 20.879 0.064 . 1 . . . A 20 THR CG2 . 18508 1 198 . 1 1 20 20 THR N N 15 121.618 0.015 . 1 . . . A 20 THR N . 18508 1 199 . 1 1 21 21 VAL H H 1 8.549 0.004 . 1 . . . A 21 VAL H . 18508 1 200 . 1 1 21 21 VAL HA H 1 4.594 0.013 . 1 . . . A 21 VAL HA . 18508 1 201 . 1 1 21 21 VAL HB H 1 1.918 0.008 . 1 . . . A 21 VAL HB . 18508 1 202 . 1 1 21 21 VAL HG11 H 1 0.770 0.006 . 2 . . . A 21 VAL HG11 . 18508 1 203 . 1 1 21 21 VAL HG12 H 1 0.770 0.006 . 2 . . . A 21 VAL HG12 . 18508 1 204 . 1 1 21 21 VAL HG13 H 1 0.770 0.006 . 2 . . . A 21 VAL HG13 . 18508 1 205 . 1 1 21 21 VAL HG21 H 1 0.822 0.002 . 2 . . . A 21 VAL HG21 . 18508 1 206 . 1 1 21 21 VAL HG22 H 1 0.822 0.002 . 2 . . . A 21 VAL HG22 . 18508 1 207 . 1 1 21 21 VAL HG23 H 1 0.822 0.002 . 2 . . . A 21 VAL HG23 . 18508 1 208 . 1 1 21 21 VAL C C 13 175.430 0.008 . 1 . . . A 21 VAL C . 18508 1 209 . 1 1 21 21 VAL CA C 13 61.641 0.098 . 1 . . . A 21 VAL CA . 18508 1 210 . 1 1 21 21 VAL CB C 13 32.330 0.045 . 1 . . . A 21 VAL CB . 18508 1 211 . 1 1 21 21 VAL CG1 C 13 21.181 0.044 . 2 . . . A 21 VAL CG1 . 18508 1 212 . 1 1 21 21 VAL CG2 C 13 21.242 0.001 . 2 . . . A 21 VAL CG2 . 18508 1 213 . 1 1 21 21 VAL N N 15 127.181 0.026 . 1 . . . A 21 VAL N . 18508 1 214 . 1 1 22 22 ILE H H 1 8.901 0.005 . 1 . . . A 22 ILE H . 18508 1 215 . 1 1 22 22 ILE HA H 1 4.301 0.008 . 1 . . . A 22 ILE HA . 18508 1 216 . 1 1 22 22 ILE HB H 1 1.456 0.008 . 1 . . . A 22 ILE HB . 18508 1 217 . 1 1 22 22 ILE HG12 H 1 1.002 0.013 . 2 . . . A 22 ILE HG12 . 18508 1 218 . 1 1 22 22 ILE HG13 H 1 0.863 0.007 . 2 . . . A 22 ILE HG13 . 18508 1 219 . 1 1 22 22 ILE HG21 H 1 0.934 0.006 . 1 . . . A 22 ILE HG21 . 18508 1 220 . 1 1 22 22 ILE HG22 H 1 0.934 0.006 . 1 . . . A 22 ILE HG22 . 18508 1 221 . 1 1 22 22 ILE HG23 H 1 0.934 0.006 . 1 . . . A 22 ILE HG23 . 18508 1 222 . 1 1 22 22 ILE HD11 H 1 0.007 0.004 . 1 . . . A 22 ILE HD11 . 18508 1 223 . 1 1 22 22 ILE HD12 H 1 0.007 0.004 . 1 . . . A 22 ILE HD12 . 18508 1 224 . 1 1 22 22 ILE HD13 H 1 0.007 0.004 . 1 . . . A 22 ILE HD13 . 18508 1 225 . 1 1 22 22 ILE C C 13 173.845 0.009 . 1 . . . A 22 ILE C . 18508 1 226 . 1 1 22 22 ILE CA C 13 59.654 0.333 . 1 . . . A 22 ILE CA . 18508 1 227 . 1 1 22 22 ILE CB C 13 39.797 0.046 . 1 . . . A 22 ILE CB . 18508 1 228 . 1 1 22 22 ILE CG1 C 13 27.202 0.052 . 1 . . . A 22 ILE CG1 . 18508 1 229 . 1 1 22 22 ILE CG2 C 13 18.254 0.081 . 1 . . . A 22 ILE CG2 . 18508 1 230 . 1 1 22 22 ILE CD1 C 13 11.004 0.011 . 1 . . . A 22 ILE CD1 . 18508 1 231 . 1 1 22 22 ILE N N 15 130.361 0.018 . 1 . . . A 22 ILE N . 18508 1 232 . 1 1 23 23 ARG H H 1 8.679 0.004 . 1 . . . A 23 ARG H . 18508 1 233 . 1 1 23 23 ARG HA H 1 5.490 0.006 . 1 . . . A 23 ARG HA . 18508 1 234 . 1 1 23 23 ARG HB2 H 1 1.699 0.007 . 2 . . . A 23 ARG HB2 . 18508 1 235 . 1 1 23 23 ARG HB3 H 1 1.599 0.013 . 2 . . . A 23 ARG HB3 . 18508 1 236 . 1 1 23 23 ARG HG2 H 1 1.407 0.009 . 2 . . . A 23 ARG HG2 . 18508 1 237 . 1 1 23 23 ARG HG3 H 1 1.489 0.010 . 2 . . . A 23 ARG HG3 . 18508 1 238 . 1 1 23 23 ARG HD2 H 1 3.038 0.007 . 2 . . . A 23 ARG HD2 . 18508 1 239 . 1 1 23 23 ARG HD3 H 1 3.038 0.007 . 2 . . . A 23 ARG HD3 . 18508 1 240 . 1 1 23 23 ARG C C 13 174.214 0.013 . 1 . . . A 23 ARG C . 18508 1 241 . 1 1 23 23 ARG CA C 13 54.176 0.077 . 1 . . . A 23 ARG CA . 18508 1 242 . 1 1 23 23 ARG CB C 13 34.569 0.043 . 1 . . . A 23 ARG CB . 18508 1 243 . 1 1 23 23 ARG CG C 13 27.523 0.029 . 1 . . . A 23 ARG CG . 18508 1 244 . 1 1 23 23 ARG CD C 13 43.364 0.067 . 1 . . . A 23 ARG CD . 18508 1 245 . 1 1 23 23 ARG N N 15 125.867 0.059 . 1 . . . A 23 ARG N . 18508 1 246 . 1 1 24 24 TRP H H 1 9.130 0.002 . 1 . . . A 24 TRP H . 18508 1 247 . 1 1 24 24 TRP HA H 1 4.817 0.009 . 1 . . . A 24 TRP HA . 18508 1 248 . 1 1 24 24 TRP HB2 H 1 2.858 0.017 . 2 . . . A 24 TRP HB2 . 18508 1 249 . 1 1 24 24 TRP HB3 H 1 2.597 0.008 . 2 . . . A 24 TRP HB3 . 18508 1 250 . 1 1 24 24 TRP HD1 H 1 6.779 0.000 . 1 . . . A 24 TRP HD1 . 18508 1 251 . 1 1 24 24 TRP HE1 H 1 10.147 0.001 . 1 . . . A 24 TRP HE1 . 18508 1 252 . 1 1 24 24 TRP HE3 H 1 6.017 0.001 . 1 . . . A 24 TRP HE3 . 18508 1 253 . 1 1 24 24 TRP HZ2 H 1 7.267 0.007 . 1 . . . A 24 TRP HZ2 . 18508 1 254 . 1 1 24 24 TRP HZ3 H 1 6.413 0.002 . 1 . . . A 24 TRP HZ3 . 18508 1 255 . 1 1 24 24 TRP HH2 H 1 6.983 0.003 . 1 . . . A 24 TRP HH2 . 18508 1 256 . 1 1 24 24 TRP C C 13 177.268 0.008 . 1 . . . A 24 TRP C . 18508 1 257 . 1 1 24 24 TRP CA C 13 55.975 0.072 . 1 . . . A 24 TRP CA . 18508 1 258 . 1 1 24 24 TRP CB C 13 32.275 0.113 . 1 . . . A 24 TRP CB . 18508 1 259 . 1 1 24 24 TRP N N 15 123.202 0.024 . 1 . . . A 24 TRP N . 18508 1 260 . 1 1 24 24 TRP NE1 N 15 129.242 0.014 . 1 . . . A 24 TRP NE1 . 18508 1 261 . 1 1 25 25 SER H H 1 8.828 0.004 . 1 . . . A 25 SER H . 18508 1 262 . 1 1 25 25 SER HA H 1 4.844 0.007 . 1 . . . A 25 SER HA . 18508 1 263 . 1 1 25 25 SER HB2 H 1 3.628 0.004 . 2 . . . A 25 SER HB2 . 18508 1 264 . 1 1 25 25 SER HB3 H 1 3.739 0.002 . 2 . . . A 25 SER HB3 . 18508 1 265 . 1 1 25 25 SER CA C 13 58.551 0.069 . 1 . . . A 25 SER CA . 18508 1 266 . 1 1 25 25 SER CB C 13 64.237 0.054 . 1 . . . A 25 SER CB . 18508 1 267 . 1 1 25 25 SER N N 15 123.632 0.017 . 1 . . . A 25 SER N . 18508 1 268 . 1 1 26 26 GLU HA H 1 4.157 0.005 . 1 . . . A 26 GLU HA . 18508 1 269 . 1 1 26 26 GLU HB2 H 1 2.073 0.004 . 2 . . . A 26 GLU HB2 . 18508 1 270 . 1 1 26 26 GLU HB3 H 1 0.971 0.009 . 2 . . . A 26 GLU HB3 . 18508 1 271 . 1 1 26 26 GLU HG2 H 1 1.400 0.005 . 2 . . . A 26 GLU HG2 . 18508 1 272 . 1 1 26 26 GLU HG3 H 1 1.645 0.006 . 2 . . . A 26 GLU HG3 . 18508 1 273 . 1 1 26 26 GLU C C 13 175.937 0.000 . 1 . . . A 26 GLU C . 18508 1 274 . 1 1 26 26 GLU CA C 13 55.392 0.089 . 1 . . . A 26 GLU CA . 18508 1 275 . 1 1 26 26 GLU CB C 13 29.303 0.059 . 1 . . . A 26 GLU CB . 18508 1 276 . 1 1 26 26 GLU CG C 13 35.060 0.053 . 1 . . . A 26 GLU CG . 18508 1 277 . 1 1 27 27 GLY H H 1 8.425 0.002 . 1 . . . A 27 GLY H . 18508 1 278 . 1 1 27 27 GLY HA2 H 1 4.290 0.008 . 2 . . . A 27 GLY HA2 . 18508 1 279 . 1 1 27 27 GLY HA3 H 1 3.966 0.008 . 2 . . . A 27 GLY HA3 . 18508 1 280 . 1 1 27 27 GLY C C 13 173.366 0.026 . 1 . . . A 27 GLY C . 18508 1 281 . 1 1 27 27 GLY CA C 13 44.659 0.116 . 1 . . . A 27 GLY CA . 18508 1 282 . 1 1 27 27 GLY N N 15 109.252 0.023 . 1 . . . A 27 GLY N . 18508 1 283 . 1 1 28 28 GLY H H 1 7.939 0.003 . 1 . . . A 28 GLY H . 18508 1 284 . 1 1 28 28 GLY HA2 H 1 4.083 0.013 . 2 . . . A 28 GLY HA2 . 18508 1 285 . 1 1 28 28 GLY HA3 H 1 3.761 0.011 . 2 . . . A 28 GLY HA3 . 18508 1 286 . 1 1 28 28 GLY C C 13 172.508 0.008 . 1 . . . A 28 GLY C . 18508 1 287 . 1 1 28 28 GLY CA C 13 43.733 0.108 . 1 . . . A 28 GLY CA . 18508 1 288 . 1 1 28 28 GLY N N 15 106.555 0.079 . 1 . . . A 28 GLY N . 18508 1 289 . 1 1 29 29 LYS H H 1 10.041 0.004 . 1 . . . A 29 LYS H . 18508 1 290 . 1 1 29 29 LYS HA H 1 4.640 0.010 . 1 . . . A 29 LYS HA . 18508 1 291 . 1 1 29 29 LYS HB2 H 1 1.943 0.006 . 2 . . . A 29 LYS HB2 . 18508 1 292 . 1 1 29 29 LYS HB3 H 1 1.943 0.006 . 2 . . . A 29 LYS HB3 . 18508 1 293 . 1 1 29 29 LYS HG2 H 1 1.432 0.014 . 2 . . . A 29 LYS HG2 . 18508 1 294 . 1 1 29 29 LYS HG3 H 1 1.517 0.005 . 2 . . . A 29 LYS HG3 . 18508 1 295 . 1 1 29 29 LYS HD2 H 1 1.686 0.009 . 2 . . . A 29 LYS HD2 . 18508 1 296 . 1 1 29 29 LYS HE2 H 1 2.980 0.004 . 2 . . . A 29 LYS HE2 . 18508 1 297 . 1 1 29 29 LYS HE3 H 1 2.980 0.004 . 2 . . . A 29 LYS HE3 . 18508 1 298 . 1 1 29 29 LYS C C 13 177.163 0.007 . 1 . . . A 29 LYS C . 18508 1 299 . 1 1 29 29 LYS CA C 13 58.066 0.058 . 1 . . . A 29 LYS CA . 18508 1 300 . 1 1 29 29 LYS CB C 13 33.892 0.026 . 1 . . . A 29 LYS CB . 18508 1 301 . 1 1 29 29 LYS CG C 13 25.293 0.102 . 1 . . . A 29 LYS CG . 18508 1 302 . 1 1 29 29 LYS CD C 13 29.112 0.030 . 1 . . . A 29 LYS CD . 18508 1 303 . 1 1 29 29 LYS CE C 13 41.927 0.116 . 1 . . . A 29 LYS CE . 18508 1 304 . 1 1 29 29 LYS N N 15 120.690 0.009 . 1 . . . A 29 LYS N . 18508 1 305 . 1 1 30 30 GLU H H 1 8.921 0.002 . 1 . . . A 30 GLU H . 18508 1 306 . 1 1 30 30 GLU HA H 1 4.217 0.007 . 1 . . . A 30 GLU HA . 18508 1 307 . 1 1 30 30 GLU HB2 H 1 1.971 0.010 . 2 . . . A 30 GLU HB2 . 18508 1 308 . 1 1 30 30 GLU HB3 H 1 2.004 0.008 . 2 . . . A 30 GLU HB3 . 18508 1 309 . 1 1 30 30 GLU HG2 H 1 2.141 0.016 . 2 . . . A 30 GLU HG2 . 18508 1 310 . 1 1 30 30 GLU HG3 H 1 2.141 0.016 . 2 . . . A 30 GLU HG3 . 18508 1 311 . 1 1 30 30 GLU C C 13 173.549 0.014 . 1 . . . A 30 GLU C . 18508 1 312 . 1 1 30 30 GLU CA C 13 56.010 0.044 . 1 . . . A 30 GLU CA . 18508 1 313 . 1 1 30 30 GLU CB C 13 32.345 0.069 . 1 . . . A 30 GLU CB . 18508 1 314 . 1 1 30 30 GLU CG C 13 36.914 0.000 . 1 . . . A 30 GLU CG . 18508 1 315 . 1 1 30 30 GLU N N 15 121.716 0.008 . 1 . . . A 30 GLU N . 18508 1 316 . 1 1 31 31 VAL H H 1 7.643 0.003 . 1 . . . A 31 VAL H . 18508 1 317 . 1 1 31 31 VAL HA H 1 4.465 0.011 . 1 . . . A 31 VAL HA . 18508 1 318 . 1 1 31 31 VAL HB H 1 0.865 0.008 . 1 . . . A 31 VAL HB . 18508 1 319 . 1 1 31 31 VAL HG11 H 1 0.367 0.006 . 2 . . . A 31 VAL HG11 . 18508 1 320 . 1 1 31 31 VAL HG12 H 1 0.367 0.006 . 2 . . . A 31 VAL HG12 . 18508 1 321 . 1 1 31 31 VAL HG13 H 1 0.367 0.006 . 2 . . . A 31 VAL HG13 . 18508 1 322 . 1 1 31 31 VAL HG21 H 1 -0.385 0.010 . 2 . . . A 31 VAL HG21 . 18508 1 323 . 1 1 31 31 VAL HG22 H 1 -0.385 0.010 . 2 . . . A 31 VAL HG22 . 18508 1 324 . 1 1 31 31 VAL HG23 H 1 -0.385 0.010 . 2 . . . A 31 VAL HG23 . 18508 1 325 . 1 1 31 31 VAL C C 13 173.517 0.003 . 1 . . . A 31 VAL C . 18508 1 326 . 1 1 31 31 VAL CA C 13 61.509 0.121 . 1 . . . A 31 VAL CA . 18508 1 327 . 1 1 31 31 VAL CB C 13 35.184 0.028 . 1 . . . A 31 VAL CB . 18508 1 328 . 1 1 31 31 VAL CG1 C 13 22.178 0.017 . 2 . . . A 31 VAL CG1 . 18508 1 329 . 1 1 31 31 VAL CG2 C 13 19.591 0.023 . 2 . . . A 31 VAL CG2 . 18508 1 330 . 1 1 31 31 VAL N N 15 124.290 0.027 . 1 . . . A 31 VAL N . 18508 1 331 . 1 1 32 32 PHE H H 1 8.907 0.004 . 1 . . . A 32 PHE H . 18508 1 332 . 1 1 32 32 PHE HA H 1 5.579 0.012 . 1 . . . A 32 PHE HA . 18508 1 333 . 1 1 32 32 PHE HB2 H 1 2.827 0.012 . 2 . . . A 32 PHE HB2 . 18508 1 334 . 1 1 32 32 PHE HB3 H 1 2.827 0.012 . 2 . . . A 32 PHE HB3 . 18508 1 335 . 1 1 32 32 PHE HD1 H 1 7.042 0.010 . 3 . . . A 32 PHE HD1 . 18508 1 336 . 1 1 32 32 PHE HD2 H 1 7.042 0.010 . 3 . . . A 32 PHE HD2 . 18508 1 337 . 1 1 32 32 PHE HE1 H 1 7.376 0.005 . 3 . . . A 32 PHE HE1 . 18508 1 338 . 1 1 32 32 PHE HE2 H 1 7.376 0.005 . 3 . . . A 32 PHE HE2 . 18508 1 339 . 1 1 32 32 PHE C C 13 174.810 0.062 . 1 . . . A 32 PHE C . 18508 1 340 . 1 1 32 32 PHE CA C 13 55.239 0.030 . 1 . . . A 32 PHE CA . 18508 1 341 . 1 1 32 32 PHE CB C 13 44.416 0.039 . 1 . . . A 32 PHE CB . 18508 1 342 . 1 1 32 32 PHE N N 15 124.288 0.046 . 1 . . . A 32 PHE N . 18508 1 343 . 1 1 33 33 ILE H H 1 9.335 0.005 . 1 . . . A 33 ILE H . 18508 1 344 . 1 1 33 33 ILE HA H 1 5.442 0.006 . 1 . . . A 33 ILE HA . 18508 1 345 . 1 1 33 33 ILE HB H 1 1.691 0.010 . 1 . . . A 33 ILE HB . 18508 1 346 . 1 1 33 33 ILE HG12 H 1 1.406 0.010 . 2 . . . A 33 ILE HG12 . 18508 1 347 . 1 1 33 33 ILE HG13 H 1 1.023 0.007 . 2 . . . A 33 ILE HG13 . 18508 1 348 . 1 1 33 33 ILE HG21 H 1 0.817 0.010 . 1 . . . A 33 ILE HG21 . 18508 1 349 . 1 1 33 33 ILE HG22 H 1 0.817 0.010 . 1 . . . A 33 ILE HG22 . 18508 1 350 . 1 1 33 33 ILE HG23 H 1 0.817 0.010 . 1 . . . A 33 ILE HG23 . 18508 1 351 . 1 1 33 33 ILE HD11 H 1 0.448 0.004 . 1 . . . A 33 ILE HD11 . 18508 1 352 . 1 1 33 33 ILE HD12 H 1 0.448 0.004 . 1 . . . A 33 ILE HD12 . 18508 1 353 . 1 1 33 33 ILE HD13 H 1 0.448 0.004 . 1 . . . A 33 ILE HD13 . 18508 1 354 . 1 1 33 33 ILE C C 13 173.651 0.004 . 1 . . . A 33 ILE C . 18508 1 355 . 1 1 33 33 ILE CA C 13 59.494 0.250 . 1 . . . A 33 ILE CA . 18508 1 356 . 1 1 33 33 ILE CB C 13 43.358 0.037 . 1 . . . A 33 ILE CB . 18508 1 357 . 1 1 33 33 ILE CG1 C 13 28.526 0.045 . 1 . . . A 33 ILE CG1 . 18508 1 358 . 1 1 33 33 ILE CG2 C 13 17.121 0.003 . 1 . . . A 33 ILE CG2 . 18508 1 359 . 1 1 33 33 ILE CD1 C 13 15.121 0.057 . 1 . . . A 33 ILE CD1 . 18508 1 360 . 1 1 33 33 ILE N N 15 116.983 0.035 . 1 . . . A 33 ILE N . 18508 1 361 . 1 1 34 34 SER H H 1 8.524 0.003 . 1 . . . A 34 SER H . 18508 1 362 . 1 1 34 34 SER HA H 1 4.461 0.005 . 1 . . . A 34 SER HA . 18508 1 363 . 1 1 34 34 SER HB2 H 1 3.962 0.004 . 2 . . . A 34 SER HB2 . 18508 1 364 . 1 1 34 34 SER HB3 H 1 3.892 0.016 . 2 . . . A 34 SER HB3 . 18508 1 365 . 1 1 34 34 SER C C 13 170.874 0.001 . 1 . . . A 34 SER C . 18508 1 366 . 1 1 34 34 SER CA C 13 57.403 0.094 . 1 . . . A 34 SER CA . 18508 1 367 . 1 1 34 34 SER CB C 13 66.630 0.083 . 1 . . . A 34 SER CB . 18508 1 368 . 1 1 34 34 SER N N 15 117.312 0.061 . 1 . . . A 34 SER N . 18508 1 369 . 1 1 35 35 GLY H H 1 7.079 0.007 . 1 . . . A 35 GLY H . 18508 1 370 . 1 1 35 35 GLY HA2 H 1 3.446 0.016 . 2 . . . A 35 GLY HA2 . 18508 1 371 . 1 1 35 35 GLY HA3 H 1 1.525 0.010 . 2 . . . A 35 GLY HA3 . 18508 1 372 . 1 1 35 35 GLY C C 13 171.975 0.010 . 1 . . . A 35 GLY C . 18508 1 373 . 1 1 35 35 GLY CA C 13 45.359 0.081 . 1 . . . A 35 GLY CA . 18508 1 374 . 1 1 35 35 GLY N N 15 107.585 0.050 . 1 . . . A 35 GLY N . 18508 1 375 . 1 1 36 36 SER H H 1 8.875 0.004 . 1 . . . A 36 SER H . 18508 1 376 . 1 1 36 36 SER HA H 1 3.499 0.011 . 1 . . . A 36 SER HA . 18508 1 377 . 1 1 36 36 SER HB2 H 1 4.332 0.009 . 2 . . . A 36 SER HB2 . 18508 1 378 . 1 1 36 36 SER HB3 H 1 3.908 0.007 . 2 . . . A 36 SER HB3 . 18508 1 379 . 1 1 36 36 SER C C 13 177.350 0.000 . 1 . . . A 36 SER C . 18508 1 380 . 1 1 36 36 SER CA C 13 60.910 0.069 . 1 . . . A 36 SER CA . 18508 1 381 . 1 1 36 36 SER CB C 13 62.439 0.046 . 1 . . . A 36 SER CB . 18508 1 382 . 1 1 36 36 SER N N 15 114.672 0.022 . 1 . . . A 36 SER N . 18508 1 383 . 1 1 37 37 PHE H H 1 6.555 0.005 . 1 . . . A 37 PHE H . 18508 1 384 . 1 1 37 37 PHE HA H 1 4.476 0.008 . 1 . . . A 37 PHE HA . 18508 1 385 . 1 1 37 37 PHE HB2 H 1 2.975 0.010 . 2 . . . A 37 PHE HB2 . 18508 1 386 . 1 1 37 37 PHE HB3 H 1 2.522 0.012 . 2 . . . A 37 PHE HB3 . 18508 1 387 . 1 1 37 37 PHE HD1 H 1 6.776 0.009 . 3 . . . A 37 PHE HD1 . 18508 1 388 . 1 1 37 37 PHE HD2 H 1 6.776 0.009 . 3 . . . A 37 PHE HD2 . 18508 1 389 . 1 1 37 37 PHE HE1 H 1 6.894 0.004 . 3 . . . A 37 PHE HE1 . 18508 1 390 . 1 1 37 37 PHE HE2 H 1 6.894 0.004 . 3 . . . A 37 PHE HE2 . 18508 1 391 . 1 1 37 37 PHE HZ H 1 6.631 0.001 . 1 . . . A 37 PHE HZ . 18508 1 392 . 1 1 37 37 PHE C C 13 175.122 0.011 . 1 . . . A 37 PHE C . 18508 1 393 . 1 1 37 37 PHE CA C 13 56.991 0.039 . 1 . . . A 37 PHE CA . 18508 1 394 . 1 1 37 37 PHE CB C 13 38.121 0.048 . 1 . . . A 37 PHE CB . 18508 1 395 . 1 1 37 37 PHE N N 15 118.700 0.035 . 1 . . . A 37 PHE N . 18508 1 396 . 1 1 38 38 ASN H H 1 6.515 0.005 . 1 . . . A 38 ASN H . 18508 1 397 . 1 1 38 38 ASN HA H 1 4.989 0.010 . 1 . . . A 38 ASN HA . 18508 1 398 . 1 1 38 38 ASN HB2 H 1 2.567 0.011 . 2 . . . A 38 ASN HB2 . 18508 1 399 . 1 1 38 38 ASN HB3 H 1 3.171 0.008 . 2 . . . A 38 ASN HB3 . 18508 1 400 . 1 1 38 38 ASN HD21 H 1 6.089 0.002 . 2 . . . A 38 ASN HD21 . 18508 1 401 . 1 1 38 38 ASN HD22 H 1 7.457 0.003 . 2 . . . A 38 ASN HD22 . 18508 1 402 . 1 1 38 38 ASN C C 13 176.279 0.025 . 1 . . . A 38 ASN C . 18508 1 403 . 1 1 38 38 ASN CA C 13 51.275 0.119 . 1 . . . A 38 ASN CA . 18508 1 404 . 1 1 38 38 ASN CB C 13 37.258 0.017 . 1 . . . A 38 ASN CB . 18508 1 405 . 1 1 38 38 ASN N N 15 120.200 0.018 . 1 . . . A 38 ASN N . 18508 1 406 . 1 1 38 38 ASN ND2 N 15 104.601 0.039 . 1 . . . A 38 ASN ND2 . 18508 1 407 . 1 1 39 39 ASN H H 1 7.890 0.004 . 1 . . . A 39 ASN H . 18508 1 408 . 1 1 39 39 ASN HA H 1 4.354 0.006 . 1 . . . A 39 ASN HA . 18508 1 409 . 1 1 39 39 ASN HB2 H 1 2.782 0.005 . 2 . . . A 39 ASN HB2 . 18508 1 410 . 1 1 39 39 ASN HB3 H 1 3.141 0.009 . 2 . . . A 39 ASN HB3 . 18508 1 411 . 1 1 39 39 ASN HD21 H 1 6.879 0.004 . 2 . . . A 39 ASN HD21 . 18508 1 412 . 1 1 39 39 ASN HD22 H 1 7.564 0.007 . 2 . . . A 39 ASN HD22 . 18508 1 413 . 1 1 39 39 ASN C C 13 173.003 0.011 . 1 . . . A 39 ASN C . 18508 1 414 . 1 1 39 39 ASN CA C 13 54.843 0.119 . 1 . . . A 39 ASN CA . 18508 1 415 . 1 1 39 39 ASN CB C 13 37.196 0.066 . 1 . . . A 39 ASN CB . 18508 1 416 . 1 1 39 39 ASN N N 15 117.638 0.029 . 1 . . . A 39 ASN N . 18508 1 417 . 1 1 39 39 ASN ND2 N 15 112.493 0.022 . 1 . . . A 39 ASN ND2 . 18508 1 418 . 1 1 40 40 TRP H H 1 8.359 0.002 . 1 . . . A 40 TRP H . 18508 1 419 . 1 1 40 40 TRP HA H 1 4.188 0.007 . 1 . . . A 40 TRP HA . 18508 1 420 . 1 1 40 40 TRP HB2 H 1 3.187 0.005 . 2 . . . A 40 TRP HB2 . 18508 1 421 . 1 1 40 40 TRP HB3 H 1 3.463 0.004 . 2 . . . A 40 TRP HB3 . 18508 1 422 . 1 1 40 40 TRP HD1 H 1 6.928 0.011 . 1 . . . A 40 TRP HD1 . 18508 1 423 . 1 1 40 40 TRP HE1 H 1 10.051 0.002 . 1 . . . A 40 TRP HE1 . 18508 1 424 . 1 1 40 40 TRP HE3 H 1 7.149 0.004 . 1 . . . A 40 TRP HE3 . 18508 1 425 . 1 1 40 40 TRP HZ2 H 1 7.104 0.009 . 1 . . . A 40 TRP HZ2 . 18508 1 426 . 1 1 40 40 TRP HZ3 H 1 6.556 0.002 . 1 . . . A 40 TRP HZ3 . 18508 1 427 . 1 1 40 40 TRP HH2 H 1 6.638 0.003 . 1 . . . A 40 TRP HH2 . 18508 1 428 . 1 1 40 40 TRP C C 13 177.846 0.000 . 1 . . . A 40 TRP C . 18508 1 429 . 1 1 40 40 TRP CA C 13 57.367 0.096 . 1 . . . A 40 TRP CA . 18508 1 430 . 1 1 40 40 TRP CB C 13 24.803 0.052 . 1 . . . A 40 TRP CB . 18508 1 431 . 1 1 40 40 TRP N N 15 114.019 0.025 . 1 . . . A 40 TRP N . 18508 1 432 . 1 1 40 40 TRP NE1 N 15 128.709 0.019 . 1 . . . A 40 TRP NE1 . 18508 1 433 . 1 1 41 41 SER H H 1 7.723 0.003 . 1 . . . A 41 SER H . 18508 1 434 . 1 1 41 41 SER HA H 1 4.101 0.007 . 1 . . . A 41 SER HA . 18508 1 435 . 1 1 41 41 SER HB2 H 1 3.962 0.005 . 2 . . . A 41 SER HB2 . 18508 1 436 . 1 1 41 41 SER HB3 H 1 3.962 0.005 . 2 . . . A 41 SER HB3 . 18508 1 437 . 1 1 41 41 SER C C 13 174.912 0.000 . 1 . . . A 41 SER C . 18508 1 438 . 1 1 41 41 SER CA C 13 61.121 0.046 . 1 . . . A 41 SER CA . 18508 1 439 . 1 1 41 41 SER CB C 13 64.278 0.116 . 1 . . . A 41 SER CB . 18508 1 440 . 1 1 41 41 SER N N 15 114.771 0.189 . 1 . . . A 41 SER N . 18508 1 441 . 1 1 42 42 THR H H 1 7.033 0.004 . 1 . . . A 42 THR H . 18508 1 442 . 1 1 42 42 THR HA H 1 4.619 0.003 . 1 . . . A 42 THR HA . 18508 1 443 . 1 1 42 42 THR HB H 1 4.079 0.002 . 1 . . . A 42 THR HB . 18508 1 444 . 1 1 42 42 THR HG21 H 1 1.070 0.003 . 1 . . . A 42 THR HG21 . 18508 1 445 . 1 1 42 42 THR HG22 H 1 1.070 0.003 . 1 . . . A 42 THR HG22 . 18508 1 446 . 1 1 42 42 THR HG23 H 1 1.070 0.003 . 1 . . . A 42 THR HG23 . 18508 1 447 . 1 1 42 42 THR C C 13 173.710 0.000 . 1 . . . A 42 THR C . 18508 1 448 . 1 1 42 42 THR CA C 13 59.875 0.192 . 1 . . . A 42 THR CA . 18508 1 449 . 1 1 42 42 THR CB C 13 71.080 0.034 . 1 . . . A 42 THR CB . 18508 1 450 . 1 1 42 42 THR CG2 C 13 20.453 0.037 . 1 . . . A 42 THR CG2 . 18508 1 451 . 1 1 42 42 THR N N 15 110.598 0.022 . 1 . . . A 42 THR N . 18508 1 452 . 1 1 43 43 LYS HA H 1 4.798 0.009 . 1 . . . A 43 LYS HA . 18508 1 453 . 1 1 43 43 LYS HB2 H 1 1.454 0.014 . 2 . . . A 43 LYS HB2 . 18508 1 454 . 1 1 43 43 LYS HB3 H 1 1.242 0.012 . 2 . . . A 43 LYS HB3 . 18508 1 455 . 1 1 43 43 LYS HG2 H 1 0.943 0.007 . 2 . . . A 43 LYS HG2 . 18508 1 456 . 1 1 43 43 LYS HG3 H 1 1.354 0.009 . 2 . . . A 43 LYS HG3 . 18508 1 457 . 1 1 43 43 LYS HD2 H 1 0.596 0.008 . 2 . . . A 43 LYS HD2 . 18508 1 458 . 1 1 43 43 LYS HD3 H 1 0.678 0.006 . 2 . . . A 43 LYS HD3 . 18508 1 459 . 1 1 43 43 LYS HE2 H 1 2.041 0.006 . 2 . . . A 43 LYS HE2 . 18508 1 460 . 1 1 43 43 LYS HE3 H 1 1.367 0.006 . 2 . . . A 43 LYS HE3 . 18508 1 461 . 1 1 43 43 LYS CA C 13 55.182 0.073 . 1 . . . A 43 LYS CA . 18508 1 462 . 1 1 43 43 LYS CB C 13 33.180 0.064 . 1 . . . A 43 LYS CB . 18508 1 463 . 1 1 43 43 LYS CG C 13 24.748 0.079 . 1 . . . A 43 LYS CG . 18508 1 464 . 1 1 43 43 LYS CD C 13 29.098 0.028 . 1 . . . A 43 LYS CD . 18508 1 465 . 1 1 43 43 LYS CE C 13 40.450 0.046 . 1 . . . A 43 LYS CE . 18508 1 466 . 1 1 44 44 ILE H H 1 9.723 0.007 . 1 . . . A 44 ILE H . 18508 1 467 . 1 1 44 44 ILE HA H 1 4.665 0.002 . 1 . . . A 44 ILE HA . 18508 1 468 . 1 1 44 44 ILE HB H 1 1.938 0.006 . 1 . . . A 44 ILE HB . 18508 1 469 . 1 1 44 44 ILE HG12 H 1 1.600 0.001 . 2 . . . A 44 ILE HG12 . 18508 1 470 . 1 1 44 44 ILE HG21 H 1 1.156 0.004 . 1 . . . A 44 ILE HG21 . 18508 1 471 . 1 1 44 44 ILE HG22 H 1 1.156 0.004 . 1 . . . A 44 ILE HG22 . 18508 1 472 . 1 1 44 44 ILE HG23 H 1 1.156 0.004 . 1 . . . A 44 ILE HG23 . 18508 1 473 . 1 1 44 44 ILE HD11 H 1 0.944 0.003 . 1 . . . A 44 ILE HD11 . 18508 1 474 . 1 1 44 44 ILE HD12 H 1 0.944 0.003 . 1 . . . A 44 ILE HD12 . 18508 1 475 . 1 1 44 44 ILE HD13 H 1 0.944 0.003 . 1 . . . A 44 ILE HD13 . 18508 1 476 . 1 1 44 44 ILE CA C 13 58.649 0.070 . 1 . . . A 44 ILE CA . 18508 1 477 . 1 1 44 44 ILE CB C 13 40.546 0.034 . 1 . . . A 44 ILE CB . 18508 1 478 . 1 1 44 44 ILE CG2 C 13 16.089 0.007 . 1 . . . A 44 ILE CG2 . 18508 1 479 . 1 1 44 44 ILE CD1 C 13 14.426 0.012 . 1 . . . A 44 ILE CD1 . 18508 1 480 . 1 1 44 44 ILE N N 15 128.159 0.067 . 1 . . . A 44 ILE N . 18508 1 481 . 1 1 45 45 PRO HA H 1 4.326 0.010 . 1 . . . A 45 PRO HA . 18508 1 482 . 1 1 45 45 PRO HB2 H 1 2.076 0.012 . 2 . . . A 45 PRO HB2 . 18508 1 483 . 1 1 45 45 PRO HB3 H 1 1.802 0.006 . 2 . . . A 45 PRO HB3 . 18508 1 484 . 1 1 45 45 PRO HG2 H 1 2.174 0.006 . 2 . . . A 45 PRO HG2 . 18508 1 485 . 1 1 45 45 PRO HG3 H 1 2.261 0.004 . 2 . . . A 45 PRO HG3 . 18508 1 486 . 1 1 45 45 PRO HD2 H 1 4.124 0.021 . 2 . . . A 45 PRO HD2 . 18508 1 487 . 1 1 45 45 PRO HD3 H 1 4.004 0.007 . 2 . . . A 45 PRO HD3 . 18508 1 488 . 1 1 45 45 PRO C C 13 176.008 0.000 . 1 . . . A 45 PRO C . 18508 1 489 . 1 1 45 45 PRO CA C 13 63.150 0.058 . 1 . . . A 45 PRO CA . 18508 1 490 . 1 1 45 45 PRO CB C 13 32.071 0.021 . 1 . . . A 45 PRO CB . 18508 1 491 . 1 1 45 45 PRO CG C 13 27.227 0.072 . 1 . . . A 45 PRO CG . 18508 1 492 . 1 1 45 45 PRO CD C 13 51.230 0.073 . 1 . . . A 45 PRO CD . 18508 1 493 . 1 1 46 46 LEU H H 1 8.210 0.004 . 1 . . . A 46 LEU H . 18508 1 494 . 1 1 46 46 LEU HA H 1 4.524 0.005 . 1 . . . A 46 LEU HA . 18508 1 495 . 1 1 46 46 LEU HB2 H 1 1.821 0.011 . 2 . . . A 46 LEU HB2 . 18508 1 496 . 1 1 46 46 LEU HB3 H 1 1.249 0.013 . 2 . . . A 46 LEU HB3 . 18508 1 497 . 1 1 46 46 LEU HG H 1 1.684 0.004 . 1 . . . A 46 LEU HG . 18508 1 498 . 1 1 46 46 LEU HD11 H 1 0.896 0.008 . 1 . . . A 46 LEU HD11 . 18508 1 499 . 1 1 46 46 LEU HD12 H 1 0.896 0.008 . 1 . . . A 46 LEU HD12 . 18508 1 500 . 1 1 46 46 LEU HD13 H 1 0.896 0.008 . 1 . . . A 46 LEU HD13 . 18508 1 501 . 1 1 46 46 LEU HD21 H 1 0.844 0.009 . 1 . . . A 46 LEU HD21 . 18508 1 502 . 1 1 46 46 LEU HD22 H 1 0.844 0.009 . 1 . . . A 46 LEU HD22 . 18508 1 503 . 1 1 46 46 LEU HD23 H 1 0.844 0.009 . 1 . . . A 46 LEU HD23 . 18508 1 504 . 1 1 46 46 LEU CA C 13 55.779 0.081 . 1 . . . A 46 LEU CA . 18508 1 505 . 1 1 46 46 LEU CB C 13 42.887 0.054 . 1 . . . A 46 LEU CB . 18508 1 506 . 1 1 46 46 LEU CG C 13 31.482 0.070 . 1 . . . A 46 LEU CG . 18508 1 507 . 1 1 46 46 LEU CD1 C 13 25.301 0.078 . 2 . . . A 46 LEU CD1 . 18508 1 508 . 1 1 46 46 LEU CD2 C 13 25.814 0.099 . 2 . . . A 46 LEU CD2 . 18508 1 509 . 1 1 46 46 LEU N N 15 122.618 0.034 . 1 . . . A 46 LEU N . 18508 1 510 . 1 1 47 47 ILE H H 1 8.719 0.005 . 1 . . . A 47 ILE H . 18508 1 511 . 1 1 47 47 ILE HA H 1 4.386 0.013 . 1 . . . A 47 ILE HA . 18508 1 512 . 1 1 47 47 ILE HB H 1 1.858 0.008 . 1 . . . A 47 ILE HB . 18508 1 513 . 1 1 47 47 ILE HG12 H 1 1.327 0.014 . 2 . . . A 47 ILE HG12 . 18508 1 514 . 1 1 47 47 ILE HG13 H 1 1.450 0.008 . 2 . . . A 47 ILE HG13 . 18508 1 515 . 1 1 47 47 ILE HG21 H 1 0.906 0.005 . 1 . . . A 47 ILE HG21 . 18508 1 516 . 1 1 47 47 ILE HG22 H 1 0.906 0.005 . 1 . . . A 47 ILE HG22 . 18508 1 517 . 1 1 47 47 ILE HG23 H 1 0.906 0.005 . 1 . . . A 47 ILE HG23 . 18508 1 518 . 1 1 47 47 ILE HD11 H 1 0.818 0.005 . 1 . . . A 47 ILE HD11 . 18508 1 519 . 1 1 47 47 ILE HD12 H 1 0.818 0.005 . 1 . . . A 47 ILE HD12 . 18508 1 520 . 1 1 47 47 ILE HD13 H 1 0.818 0.005 . 1 . . . A 47 ILE HD13 . 18508 1 521 . 1 1 47 47 ILE C C 13 175.817 0.013 . 1 . . . A 47 ILE C . 18508 1 522 . 1 1 47 47 ILE CA C 13 59.462 0.239 . 1 . . . A 47 ILE CA . 18508 1 523 . 1 1 47 47 ILE CB C 13 39.566 0.065 . 1 . . . A 47 ILE CB . 18508 1 524 . 1 1 47 47 ILE CG1 C 13 27.486 0.087 . 1 . . . A 47 ILE CG1 . 18508 1 525 . 1 1 47 47 ILE CG2 C 13 18.067 0.021 . 1 . . . A 47 ILE CG2 . 18508 1 526 . 1 1 47 47 ILE CD1 C 13 12.620 0.020 . 1 . . . A 47 ILE CD1 . 18508 1 527 . 1 1 47 47 ILE N N 15 119.997 0.032 . 1 . . . A 47 ILE N . 18508 1 528 . 1 1 48 48 LYS H H 1 8.656 0.003 . 1 . . . A 48 LYS H . 18508 1 529 . 1 1 48 48 LYS HA H 1 3.938 0.016 . 1 . . . A 48 LYS HA . 18508 1 530 . 1 1 48 48 LYS HB2 H 1 1.586 0.009 . 2 . . . A 48 LYS HB2 . 18508 1 531 . 1 1 48 48 LYS HB3 H 1 1.264 0.006 . 2 . . . A 48 LYS HB3 . 18508 1 532 . 1 1 48 48 LYS HG2 H 1 0.612 0.007 . 2 . . . A 48 LYS HG2 . 18508 1 533 . 1 1 48 48 LYS HG3 H 1 0.966 0.003 . 2 . . . A 48 LYS HG3 . 18508 1 534 . 1 1 48 48 LYS HD2 H 1 0.958 0.004 . 2 . . . A 48 LYS HD2 . 18508 1 535 . 1 1 48 48 LYS HD3 H 1 1.275 0.003 . 2 . . . A 48 LYS HD3 . 18508 1 536 . 1 1 48 48 LYS HE2 H 1 2.829 0.010 . 2 . . . A 48 LYS HE2 . 18508 1 537 . 1 1 48 48 LYS HE3 H 1 2.747 0.011 . 2 . . . A 48 LYS HE3 . 18508 1 538 . 1 1 48 48 LYS C C 13 176.291 0.012 . 1 . . . A 48 LYS C . 18508 1 539 . 1 1 48 48 LYS CA C 13 56.688 0.092 . 1 . . . A 48 LYS CA . 18508 1 540 . 1 1 48 48 LYS CB C 13 32.749 0.076 . 1 . . . A 48 LYS CB . 18508 1 541 . 1 1 48 48 LYS CG C 13 24.578 0.260 . 1 . . . A 48 LYS CG . 18508 1 542 . 1 1 48 48 LYS CD C 13 28.685 0.060 . 1 . . . A 48 LYS CD . 18508 1 543 . 1 1 48 48 LYS CE C 13 41.888 0.085 . 1 . . . A 48 LYS CE . 18508 1 544 . 1 1 48 48 LYS N N 15 127.735 0.024 . 1 . . . A 48 LYS N . 18508 1 545 . 1 1 49 49 SER H H 1 8.629 0.004 . 1 . . . A 49 SER H . 18508 1 546 . 1 1 49 49 SER HA H 1 4.395 0.002 . 1 . . . A 49 SER HA . 18508 1 547 . 1 1 49 49 SER HB2 H 1 3.510 0.001 . 2 . . . A 49 SER HB2 . 18508 1 548 . 1 1 49 49 SER HB3 H 1 3.510 0.001 . 2 . . . A 49 SER HB3 . 18508 1 549 . 1 1 49 49 SER C C 13 173.923 0.000 . 1 . . . A 49 SER C . 18508 1 550 . 1 1 49 49 SER CA C 13 56.646 0.379 . 1 . . . A 49 SER CA . 18508 1 551 . 1 1 49 49 SER CB C 13 63.123 0.059 . 1 . . . A 49 SER CB . 18508 1 552 . 1 1 49 49 SER N N 15 122.161 0.024 . 1 . . . A 49 SER N . 18508 1 553 . 1 1 50 50 HIS HA H 1 4.065 0.001 . 1 . . . A 50 HIS HA . 18508 1 554 . 1 1 50 50 HIS HB2 H 1 3.397 0.003 . 2 . . . A 50 HIS HB2 . 18508 1 555 . 1 1 50 50 HIS HB3 H 1 3.233 0.002 . 2 . . . A 50 HIS HB3 . 18508 1 556 . 1 1 50 50 HIS HD2 H 1 7.059 0.001 . 1 . . . A 50 HIS HD2 . 18508 1 557 . 1 1 50 50 HIS HE1 H 1 8.120 0.001 . 1 . . . A 50 HIS HE1 . 18508 1 558 . 1 1 50 50 HIS CA C 13 58.070 0.001 . 1 . . . A 50 HIS CA . 18508 1 559 . 1 1 50 50 HIS CB C 13 27.571 0.019 . 1 . . . A 50 HIS CB . 18508 1 560 . 1 1 51 51 ASN HA H 1 4.731 0.006 . 1 . . . A 51 ASN HA . 18508 1 561 . 1 1 51 51 ASN HB2 H 1 2.898 0.009 . 2 . . . A 51 ASN HB2 . 18508 1 562 . 1 1 51 51 ASN HB3 H 1 2.674 0.008 . 2 . . . A 51 ASN HB3 . 18508 1 563 . 1 1 51 51 ASN HD21 H 1 6.854 0.004 . 2 . . . A 51 ASN HD21 . 18508 1 564 . 1 1 51 51 ASN HD22 H 1 7.583 0.002 . 2 . . . A 51 ASN HD22 . 18508 1 565 . 1 1 51 51 ASN CA C 13 53.837 0.138 . 1 . . . A 51 ASN CA . 18508 1 566 . 1 1 51 51 ASN CB C 13 39.159 0.071 . 1 . . . A 51 ASN CB . 18508 1 567 . 1 1 51 51 ASN ND2 N 15 113.841 0.191 . 1 . . . A 51 ASN ND2 . 18508 1 568 . 1 1 52 52 ASP H H 1 8.011 0.004 . 1 . . . A 52 ASP H . 18508 1 569 . 1 1 52 52 ASP HA H 1 4.982 0.015 . 1 . . . A 52 ASP HA . 18508 1 570 . 1 1 52 52 ASP HB2 H 1 2.536 0.010 . 2 . . . A 52 ASP HB2 . 18508 1 571 . 1 1 52 52 ASP HB3 H 1 2.618 0.008 . 2 . . . A 52 ASP HB3 . 18508 1 572 . 1 1 52 52 ASP C C 13 174.161 0.006 . 1 . . . A 52 ASP C . 18508 1 573 . 1 1 52 52 ASP CA C 13 53.613 0.063 . 1 . . . A 52 ASP CA . 18508 1 574 . 1 1 52 52 ASP CB C 13 43.595 0.059 . 1 . . . A 52 ASP CB . 18508 1 575 . 1 1 52 52 ASP N N 15 119.232 0.050 . 1 . . . A 52 ASP N . 18508 1 576 . 1 1 53 53 PHE H H 1 8.516 0.004 . 1 . . . A 53 PHE H . 18508 1 577 . 1 1 53 53 PHE HA H 1 5.186 0.009 . 1 . . . A 53 PHE HA . 18508 1 578 . 1 1 53 53 PHE HB2 H 1 2.976 0.012 . 2 . . . A 53 PHE HB2 . 18508 1 579 . 1 1 53 53 PHE HB3 H 1 2.878 0.013 . 2 . . . A 53 PHE HB3 . 18508 1 580 . 1 1 53 53 PHE HD1 H 1 7.115 0.008 . 3 . . . A 53 PHE HD1 . 18508 1 581 . 1 1 53 53 PHE HD2 H 1 7.115 0.008 . 3 . . . A 53 PHE HD2 . 18508 1 582 . 1 1 53 53 PHE HE1 H 1 7.242 0.013 . 3 . . . A 53 PHE HE1 . 18508 1 583 . 1 1 53 53 PHE HE2 H 1 7.242 0.013 . 3 . . . A 53 PHE HE2 . 18508 1 584 . 1 1 53 53 PHE HZ H 1 6.782 0.003 . 1 . . . A 53 PHE HZ . 18508 1 585 . 1 1 53 53 PHE C C 13 175.296 0.404 . 1 . . . A 53 PHE C . 18508 1 586 . 1 1 53 53 PHE CA C 13 57.446 0.048 . 1 . . . A 53 PHE CA . 18508 1 587 . 1 1 53 53 PHE CB C 13 41.963 0.088 . 1 . . . A 53 PHE CB . 18508 1 588 . 1 1 53 53 PHE N N 15 118.122 0.062 . 1 . . . A 53 PHE N . 18508 1 589 . 1 1 54 54 VAL H H 1 9.350 0.004 . 1 . . . A 54 VAL H . 18508 1 590 . 1 1 54 54 VAL HA H 1 5.337 0.002 . 1 . . . A 54 VAL HA . 18508 1 591 . 1 1 54 54 VAL HB H 1 1.888 0.000 . 1 . . . A 54 VAL HB . 18508 1 592 . 1 1 54 54 VAL HG11 H 1 0.821 0.001 . 2 . . . A 54 VAL HG11 . 18508 1 593 . 1 1 54 54 VAL HG12 H 1 0.821 0.001 . 2 . . . A 54 VAL HG12 . 18508 1 594 . 1 1 54 54 VAL HG13 H 1 0.821 0.001 . 2 . . . A 54 VAL HG13 . 18508 1 595 . 1 1 54 54 VAL CA C 13 60.386 0.070 . 1 . . . A 54 VAL CA . 18508 1 596 . 1 1 54 54 VAL CB C 13 36.684 0.013 . 1 . . . A 54 VAL CB . 18508 1 597 . 1 1 54 54 VAL N N 15 118.602 0.032 . 1 . . . A 54 VAL N . 18508 1 598 . 1 1 55 55 ALA HA H 1 4.728 0.016 . 1 . . . A 55 ALA HA . 18508 1 599 . 1 1 55 55 ALA HB1 H 1 1.198 0.006 . 1 . . . A 55 ALA HB1 . 18508 1 600 . 1 1 55 55 ALA HB2 H 1 1.198 0.006 . 1 . . . A 55 ALA HB2 . 18508 1 601 . 1 1 55 55 ALA HB3 H 1 1.198 0.006 . 1 . . . A 55 ALA HB3 . 18508 1 602 . 1 1 55 55 ALA C C 13 174.798 0.055 . 1 . . . A 55 ALA C . 18508 1 603 . 1 1 55 55 ALA CA C 13 50.792 0.104 . 1 . . . A 55 ALA CA . 18508 1 604 . 1 1 55 55 ALA CB C 13 21.382 0.056 . 1 . . . A 55 ALA CB . 18508 1 605 . 1 1 56 56 ILE H H 1 8.218 0.004 . 1 . . . A 56 ILE H . 18508 1 606 . 1 1 56 56 ILE HA H 1 4.543 0.007 . 1 . . . A 56 ILE HA . 18508 1 607 . 1 1 56 56 ILE HB H 1 1.653 0.009 . 1 . . . A 56 ILE HB . 18508 1 608 . 1 1 56 56 ILE HG12 H 1 0.897 0.007 . 2 . . . A 56 ILE HG12 . 18508 1 609 . 1 1 56 56 ILE HG13 H 1 1.437 0.010 . 2 . . . A 56 ILE HG13 . 18508 1 610 . 1 1 56 56 ILE HG21 H 1 0.659 0.009 . 1 . . . A 56 ILE HG21 . 18508 1 611 . 1 1 56 56 ILE HG22 H 1 0.659 0.009 . 1 . . . A 56 ILE HG22 . 18508 1 612 . 1 1 56 56 ILE HG23 H 1 0.659 0.009 . 1 . . . A 56 ILE HG23 . 18508 1 613 . 1 1 56 56 ILE HD11 H 1 0.783 0.006 . 1 . . . A 56 ILE HD11 . 18508 1 614 . 1 1 56 56 ILE HD12 H 1 0.783 0.006 . 1 . . . A 56 ILE HD12 . 18508 1 615 . 1 1 56 56 ILE HD13 H 1 0.783 0.006 . 1 . . . A 56 ILE HD13 . 18508 1 616 . 1 1 56 56 ILE C C 13 175.528 0.011 . 1 . . . A 56 ILE C . 18508 1 617 . 1 1 56 56 ILE CA C 13 60.901 0.087 . 1 . . . A 56 ILE CA . 18508 1 618 . 1 1 56 56 ILE CB C 13 38.343 0.079 . 1 . . . A 56 ILE CB . 18508 1 619 . 1 1 56 56 ILE CG1 C 13 27.693 0.106 . 1 . . . A 56 ILE CG1 . 18508 1 620 . 1 1 56 56 ILE CG2 C 13 18.011 0.007 . 1 . . . A 56 ILE CG2 . 18508 1 621 . 1 1 56 56 ILE CD1 C 13 13.441 0.182 . 1 . . . A 56 ILE CD1 . 18508 1 622 . 1 1 56 56 ILE N N 15 121.147 0.121 . 1 . . . A 56 ILE N . 18508 1 623 . 1 1 57 57 LEU H H 1 8.808 0.003 . 1 . . . A 57 LEU H . 18508 1 624 . 1 1 57 57 LEU HA H 1 4.529 0.008 . 1 . . . A 57 LEU HA . 18508 1 625 . 1 1 57 57 LEU HB2 H 1 0.737 0.007 . 2 . . . A 57 LEU HB2 . 18508 1 626 . 1 1 57 57 LEU HB3 H 1 1.079 0.011 . 2 . . . A 57 LEU HB3 . 18508 1 627 . 1 1 57 57 LEU HG H 1 1.114 0.006 . 1 . . . A 57 LEU HG . 18508 1 628 . 1 1 57 57 LEU HD11 H 1 0.049 0.006 . 1 . . . A 57 LEU HD11 . 18508 1 629 . 1 1 57 57 LEU HD12 H 1 0.049 0.006 . 1 . . . A 57 LEU HD12 . 18508 1 630 . 1 1 57 57 LEU HD13 H 1 0.049 0.006 . 1 . . . A 57 LEU HD13 . 18508 1 631 . 1 1 57 57 LEU HD21 H 1 0.483 0.006 . 1 . . . A 57 LEU HD21 . 18508 1 632 . 1 1 57 57 LEU HD22 H 1 0.483 0.006 . 1 . . . A 57 LEU HD22 . 18508 1 633 . 1 1 57 57 LEU HD23 H 1 0.483 0.006 . 1 . . . A 57 LEU HD23 . 18508 1 634 . 1 1 57 57 LEU C C 13 175.136 0.020 . 1 . . . A 57 LEU C . 18508 1 635 . 1 1 57 57 LEU CA C 13 52.714 0.062 . 1 . . . A 57 LEU CA . 18508 1 636 . 1 1 57 57 LEU CB C 13 45.291 0.072 . 1 . . . A 57 LEU CB . 18508 1 637 . 1 1 57 57 LEU CG C 13 26.433 0.079 . 1 . . . A 57 LEU CG . 18508 1 638 . 1 1 57 57 LEU CD1 C 13 25.949 0.055 . 2 . . . A 57 LEU CD1 . 18508 1 639 . 1 1 57 57 LEU CD2 C 13 23.142 0.021 . 2 . . . A 57 LEU CD2 . 18508 1 640 . 1 1 57 57 LEU N N 15 127.262 0.055 . 1 . . . A 57 LEU N . 18508 1 641 . 1 1 58 58 ASP H H 1 8.593 0.005 . 1 . . . A 58 ASP H . 18508 1 642 . 1 1 58 58 ASP HA H 1 4.650 0.014 . 1 . . . A 58 ASP HA . 18508 1 643 . 1 1 58 58 ASP HB2 H 1 2.397 0.007 . 2 . . . A 58 ASP HB2 . 18508 1 644 . 1 1 58 58 ASP HB3 H 1 2.397 0.007 . 2 . . . A 58 ASP HB3 . 18508 1 645 . 1 1 58 58 ASP C C 13 174.919 0.182 . 1 . . . A 58 ASP C . 18508 1 646 . 1 1 58 58 ASP CA C 13 52.987 0.103 . 1 . . . A 58 ASP CA . 18508 1 647 . 1 1 58 58 ASP CB C 13 39.673 0.031 . 1 . . . A 58 ASP CB . 18508 1 648 . 1 1 58 58 ASP N N 15 124.321 0.039 . 1 . . . A 58 ASP N . 18508 1 649 . 1 1 59 59 LEU H H 1 7.685 0.003 . 1 . . . A 59 LEU H . 18508 1 650 . 1 1 59 59 LEU HA H 1 4.572 0.005 . 1 . . . A 59 LEU HA . 18508 1 651 . 1 1 59 59 LEU HB2 H 1 0.724 0.006 . 2 . . . A 59 LEU HB2 . 18508 1 652 . 1 1 59 59 LEU HB3 H 1 1.574 0.008 . 2 . . . A 59 LEU HB3 . 18508 1 653 . 1 1 59 59 LEU HG H 1 1.016 0.011 . 1 . . . A 59 LEU HG . 18508 1 654 . 1 1 59 59 LEU HD11 H 1 0.230 0.004 . 1 . . . A 59 LEU HD11 . 18508 1 655 . 1 1 59 59 LEU HD12 H 1 0.230 0.004 . 1 . . . A 59 LEU HD12 . 18508 1 656 . 1 1 59 59 LEU HD13 H 1 0.230 0.004 . 1 . . . A 59 LEU HD13 . 18508 1 657 . 1 1 59 59 LEU HD21 H 1 -0.248 0.004 . 1 . . . A 59 LEU HD21 . 18508 1 658 . 1 1 59 59 LEU HD22 H 1 -0.248 0.004 . 1 . . . A 59 LEU HD22 . 18508 1 659 . 1 1 59 59 LEU HD23 H 1 -0.248 0.004 . 1 . . . A 59 LEU HD23 . 18508 1 660 . 1 1 59 59 LEU C C 13 175.046 0.000 . 1 . . . A 59 LEU C . 18508 1 661 . 1 1 59 59 LEU CA C 13 50.964 0.036 . 1 . . . A 59 LEU CA . 18508 1 662 . 1 1 59 59 LEU CB C 13 42.953 0.038 . 1 . . . A 59 LEU CB . 18508 1 663 . 1 1 59 59 LEU CG C 13 25.941 0.112 . 1 . . . A 59 LEU CG . 18508 1 664 . 1 1 59 59 LEU CD1 C 13 24.780 0.000 . 2 . . . A 59 LEU CD1 . 18508 1 665 . 1 1 59 59 LEU CD2 C 13 22.488 0.027 . 2 . . . A 59 LEU CD2 . 18508 1 666 . 1 1 59 59 LEU N N 15 123.969 0.019 . 1 . . . A 59 LEU N . 18508 1 667 . 1 1 60 60 PRO HA H 1 4.628 0.011 . 1 . . . A 60 PRO HA . 18508 1 668 . 1 1 60 60 PRO HB2 H 1 2.111 0.015 . 2 . . . A 60 PRO HB2 . 18508 1 669 . 1 1 60 60 PRO HB3 H 1 2.346 0.014 . 2 . . . A 60 PRO HB3 . 18508 1 670 . 1 1 60 60 PRO HG2 H 1 2.049 0.009 . 2 . . . A 60 PRO HG2 . 18508 1 671 . 1 1 60 60 PRO HG3 H 1 2.144 0.003 . 2 . . . A 60 PRO HG3 . 18508 1 672 . 1 1 60 60 PRO HD2 H 1 3.840 0.005 . 2 . . . A 60 PRO HD2 . 18508 1 673 . 1 1 60 60 PRO HD3 H 1 3.282 0.007 . 2 . . . A 60 PRO HD3 . 18508 1 674 . 1 1 60 60 PRO C C 13 175.565 0.006 . 1 . . . A 60 PRO C . 18508 1 675 . 1 1 60 60 PRO CA C 13 61.577 0.035 . 1 . . . A 60 PRO CA . 18508 1 676 . 1 1 60 60 PRO CB C 13 32.705 0.150 . 1 . . . A 60 PRO CB . 18508 1 677 . 1 1 60 60 PRO CG C 13 27.034 0.075 . 1 . . . A 60 PRO CG . 18508 1 678 . 1 1 60 60 PRO CD C 13 50.495 0.089 . 1 . . . A 60 PRO CD . 18508 1 679 . 1 1 61 61 GLU H H 1 8.507 0.009 . 1 . . . A 61 GLU H . 18508 1 680 . 1 1 61 61 GLU HA H 1 3.887 0.006 . 1 . . . A 61 GLU HA . 18508 1 681 . 1 1 61 61 GLU HB2 H 1 1.962 0.006 . 2 . . . A 61 GLU HB2 . 18508 1 682 . 1 1 61 61 GLU HB3 H 1 1.962 0.006 . 2 . . . A 61 GLU HB3 . 18508 1 683 . 1 1 61 61 GLU HG2 H 1 2.180 0.007 . 2 . . . A 61 GLU HG2 . 18508 1 684 . 1 1 61 61 GLU HG3 H 1 2.397 0.006 . 2 . . . A 61 GLU HG3 . 18508 1 685 . 1 1 61 61 GLU C C 13 176.144 0.010 . 1 . . . A 61 GLU C . 18508 1 686 . 1 1 61 61 GLU CA C 13 57.488 0.064 . 1 . . . A 61 GLU CA . 18508 1 687 . 1 1 61 61 GLU CB C 13 30.276 0.028 . 1 . . . A 61 GLU CB . 18508 1 688 . 1 1 61 61 GLU CG C 13 36.583 0.064 . 1 . . . A 61 GLU CG . 18508 1 689 . 1 1 61 61 GLU N N 15 119.228 0.117 . 1 . . . A 61 GLU N . 18508 1 690 . 1 1 62 62 GLY H H 1 8.831 0.003 . 1 . . . A 62 GLY H . 18508 1 691 . 1 1 62 62 GLY HA2 H 1 4.323 0.008 . 2 . . . A 62 GLY HA2 . 18508 1 692 . 1 1 62 62 GLY HA3 H 1 3.691 0.008 . 2 . . . A 62 GLY HA3 . 18508 1 693 . 1 1 62 62 GLY C C 13 171.300 0.002 . 1 . . . A 62 GLY C . 18508 1 694 . 1 1 62 62 GLY CA C 13 43.532 0.103 . 1 . . . A 62 GLY CA . 18508 1 695 . 1 1 62 62 GLY N N 15 111.560 0.009 . 1 . . . A 62 GLY N . 18508 1 696 . 1 1 63 63 GLU H H 1 8.015 0.004 . 1 . . . A 63 GLU H . 18508 1 697 . 1 1 63 63 GLU HA H 1 4.857 0.012 . 1 . . . A 63 GLU HA . 18508 1 698 . 1 1 63 63 GLU HB2 H 1 1.771 0.010 . 2 . . . A 63 GLU HB2 . 18508 1 699 . 1 1 63 63 GLU HB3 H 1 1.771 0.010 . 2 . . . A 63 GLU HB3 . 18508 1 700 . 1 1 63 63 GLU HG2 H 1 1.876 0.006 . 2 . . . A 63 GLU HG2 . 18508 1 701 . 1 1 63 63 GLU HG3 H 1 1.808 0.012 . 2 . . . A 63 GLU HG3 . 18508 1 702 . 1 1 63 63 GLU C C 13 175.572 0.004 . 1 . . . A 63 GLU C . 18508 1 703 . 1 1 63 63 GLU CA C 13 54.917 0.058 . 1 . . . A 63 GLU CA . 18508 1 704 . 1 1 63 63 GLU CB C 13 31.372 0.040 . 1 . . . A 63 GLU CB . 18508 1 705 . 1 1 63 63 GLU CG C 13 36.922 0.016 . 1 . . . A 63 GLU CG . 18508 1 706 . 1 1 63 63 GLU N N 15 119.060 0.021 . 1 . . . A 63 GLU N . 18508 1 707 . 1 1 64 64 HIS H H 1 8.832 0.007 . 1 . . . A 64 HIS H . 18508 1 708 . 1 1 64 64 HIS HA H 1 4.852 0.009 . 1 . . . A 64 HIS HA . 18508 1 709 . 1 1 64 64 HIS HB2 H 1 3.174 0.000 . 2 . . . A 64 HIS HB2 . 18508 1 710 . 1 1 64 64 HIS HB3 H 1 2.909 0.016 . 2 . . . A 64 HIS HB3 . 18508 1 711 . 1 1 64 64 HIS HD2 H 1 6.700 0.007 . 1 . . . A 64 HIS HD2 . 18508 1 712 . 1 1 64 64 HIS HE1 H 1 7.619 0.007 . 1 . . . A 64 HIS HE1 . 18508 1 713 . 1 1 64 64 HIS HE2 H 1 11.533 0.004 . 1 . . . A 64 HIS HE2 . 18508 1 714 . 1 1 64 64 HIS C C 13 174.629 0.005 . 1 . . . A 64 HIS C . 18508 1 715 . 1 1 64 64 HIS CA C 13 55.046 0.074 . 1 . . . A 64 HIS CA . 18508 1 716 . 1 1 64 64 HIS CB C 13 34.139 0.035 . 1 . . . A 64 HIS CB . 18508 1 717 . 1 1 64 64 HIS N N 15 121.537 0.017 . 1 . . . A 64 HIS N . 18508 1 718 . 1 1 64 64 HIS NE2 N 15 131.604 0.046 . 1 . . . A 64 HIS NE2 . 18508 1 719 . 1 1 65 65 GLN H H 1 8.684 0.007 . 1 . . . A 65 GLN H . 18508 1 720 . 1 1 65 65 GLN HA H 1 5.705 0.012 . 1 . . . A 65 GLN HA . 18508 1 721 . 1 1 65 65 GLN HB2 H 1 1.961 0.008 . 2 . . . A 65 GLN HB2 . 18508 1 722 . 1 1 65 65 GLN HB3 H 1 2.282 0.004 . 2 . . . A 65 GLN HB3 . 18508 1 723 . 1 1 65 65 GLN HG2 H 1 2.743 0.005 . 2 . . . A 65 GLN HG2 . 18508 1 724 . 1 1 65 65 GLN HG3 H 1 2.268 0.007 . 2 . . . A 65 GLN HG3 . 18508 1 725 . 1 1 65 65 GLN HE21 H 1 7.010 0.002 . 2 . . . A 65 GLN HE21 . 18508 1 726 . 1 1 65 65 GLN HE22 H 1 7.758 0.002 . 2 . . . A 65 GLN HE22 . 18508 1 727 . 1 1 65 65 GLN C C 13 176.317 0.004 . 1 . . . A 65 GLN C . 18508 1 728 . 1 1 65 65 GLN CA C 13 53.957 0.062 . 1 . . . A 65 GLN CA . 18508 1 729 . 1 1 65 65 GLN CB C 13 32.362 0.051 . 1 . . . A 65 GLN CB . 18508 1 730 . 1 1 65 65 GLN CG C 13 34.672 0.065 . 1 . . . A 65 GLN CG . 18508 1 731 . 1 1 65 65 GLN N N 15 121.618 0.025 . 1 . . . A 65 GLN N . 18508 1 732 . 1 1 65 65 GLN NE2 N 15 112.774 0.089 . 1 . . . A 65 GLN NE2 . 18508 1 733 . 1 1 66 66 TYR H H 1 8.943 0.004 . 1 . . . A 66 TYR H . 18508 1 734 . 1 1 66 66 TYR HA H 1 5.317 0.013 . 1 . . . A 66 TYR HA . 18508 1 735 . 1 1 66 66 TYR HB2 H 1 2.918 0.014 . 2 . . . A 66 TYR HB2 . 18508 1 736 . 1 1 66 66 TYR HB3 H 1 2.918 0.014 . 2 . . . A 66 TYR HB3 . 18508 1 737 . 1 1 66 66 TYR HD1 H 1 6.442 0.009 . 3 . . . A 66 TYR HD1 . 18508 1 738 . 1 1 66 66 TYR HD2 H 1 6.442 0.009 . 3 . . . A 66 TYR HD2 . 18508 1 739 . 1 1 66 66 TYR HE1 H 1 6.746 0.004 . 3 . . . A 66 TYR HE1 . 18508 1 740 . 1 1 66 66 TYR HE2 H 1 6.746 0.004 . 3 . . . A 66 TYR HE2 . 18508 1 741 . 1 1 66 66 TYR C C 13 171.716 0.017 . 1 . . . A 66 TYR C . 18508 1 742 . 1 1 66 66 TYR CA C 13 56.868 0.070 . 1 . . . A 66 TYR CA . 18508 1 743 . 1 1 66 66 TYR CB C 13 41.007 0.100 . 1 . . . A 66 TYR CB . 18508 1 744 . 1 1 66 66 TYR N N 15 116.465 0.028 . 1 . . . A 66 TYR N . 18508 1 745 . 1 1 67 67 LYS H H 1 9.087 0.004 . 1 . . . A 67 LYS H . 18508 1 746 . 1 1 67 67 LYS HA H 1 4.524 0.008 . 1 . . . A 67 LYS HA . 18508 1 747 . 1 1 67 67 LYS HB2 H 1 2.168 0.002 . 2 . . . A 67 LYS HB2 . 18508 1 748 . 1 1 67 67 LYS HB3 H 1 2.478 0.013 . 2 . . . A 67 LYS HB3 . 18508 1 749 . 1 1 67 67 LYS C C 13 173.050 0.007 . 1 . . . A 67 LYS C . 18508 1 750 . 1 1 67 67 LYS CA C 13 57.695 0.194 . 1 . . . A 67 LYS CA . 18508 1 751 . 1 1 67 67 LYS CB C 13 36.637 0.132 . 1 . . . A 67 LYS CB . 18508 1 752 . 1 1 67 67 LYS N N 15 119.934 0.010 . 1 . . . A 67 LYS N . 18508 1 753 . 1 1 68 68 PHE H H 1 7.962 0.010 . 1 . . . A 68 PHE H . 18508 1 754 . 1 1 68 68 PHE HA H 1 5.512 0.014 . 1 . . . A 68 PHE HA . 18508 1 755 . 1 1 68 68 PHE HB2 H 1 2.865 0.013 . 2 . . . A 68 PHE HB2 . 18508 1 756 . 1 1 68 68 PHE HB3 H 1 2.329 0.012 . 2 . . . A 68 PHE HB3 . 18508 1 757 . 1 1 68 68 PHE HD1 H 1 7.249 0.010 . 3 . . . A 68 PHE HD1 . 18508 1 758 . 1 1 68 68 PHE HD2 H 1 7.249 0.010 . 3 . . . A 68 PHE HD2 . 18508 1 759 . 1 1 68 68 PHE HE1 H 1 7.583 0.004 . 3 . . . A 68 PHE HE1 . 18508 1 760 . 1 1 68 68 PHE HE2 H 1 7.583 0.004 . 3 . . . A 68 PHE HE2 . 18508 1 761 . 1 1 68 68 PHE HZ H 1 7.760 0.003 . 1 . . . A 68 PHE HZ . 18508 1 762 . 1 1 68 68 PHE C C 13 173.807 0.042 . 1 . . . A 68 PHE C . 18508 1 763 . 1 1 68 68 PHE CA C 13 57.137 0.044 . 1 . . . A 68 PHE CA . 18508 1 764 . 1 1 68 68 PHE CB C 13 40.781 0.112 . 1 . . . A 68 PHE CB . 18508 1 765 . 1 1 68 68 PHE N N 15 120.459 0.129 . 1 . . . A 68 PHE N . 18508 1 766 . 1 1 69 69 PHE H H 1 8.836 0.005 . 1 . . . A 69 PHE H . 18508 1 767 . 1 1 69 69 PHE HA H 1 4.716 0.013 . 1 . . . A 69 PHE HA . 18508 1 768 . 1 1 69 69 PHE HB2 H 1 1.027 0.005 . 2 . . . A 69 PHE HB2 . 18508 1 769 . 1 1 69 69 PHE HB3 H 1 2.360 0.011 . 2 . . . A 69 PHE HB3 . 18508 1 770 . 1 1 69 69 PHE HD1 H 1 5.666 0.009 . 3 . . . A 69 PHE HD1 . 18508 1 771 . 1 1 69 69 PHE HD2 H 1 5.666 0.009 . 3 . . . A 69 PHE HD2 . 18508 1 772 . 1 1 69 69 PHE HE1 H 1 6.835 0.003 . 3 . . . A 69 PHE HE1 . 18508 1 773 . 1 1 69 69 PHE HE2 H 1 6.835 0.003 . 3 . . . A 69 PHE HE2 . 18508 1 774 . 1 1 69 69 PHE HZ H 1 6.952 0.005 . 1 . . . A 69 PHE HZ . 18508 1 775 . 1 1 69 69 PHE C C 13 174.473 0.034 . 1 . . . A 69 PHE C . 18508 1 776 . 1 1 69 69 PHE CA C 13 56.297 0.109 . 1 . . . A 69 PHE CA . 18508 1 777 . 1 1 69 69 PHE CB C 13 40.746 0.104 . 1 . . . A 69 PHE CB . 18508 1 778 . 1 1 69 69 PHE N N 15 125.179 0.043 . 1 . . . A 69 PHE N . 18508 1 779 . 1 1 70 70 VAL H H 1 8.750 0.005 . 1 . . . A 70 VAL H . 18508 1 780 . 1 1 70 70 VAL HA H 1 4.389 0.009 . 1 . . . A 70 VAL HA . 18508 1 781 . 1 1 70 70 VAL HB H 1 1.543 0.014 . 1 . . . A 70 VAL HB . 18508 1 782 . 1 1 70 70 VAL HG11 H 1 0.663 0.009 . 2 . . . A 70 VAL HG11 . 18508 1 783 . 1 1 70 70 VAL HG12 H 1 0.663 0.009 . 2 . . . A 70 VAL HG12 . 18508 1 784 . 1 1 70 70 VAL HG13 H 1 0.663 0.009 . 2 . . . A 70 VAL HG13 . 18508 1 785 . 1 1 70 70 VAL HG21 H 1 -0.198 0.010 . 2 . . . A 70 VAL HG21 . 18508 1 786 . 1 1 70 70 VAL HG22 H 1 -0.198 0.010 . 2 . . . A 70 VAL HG22 . 18508 1 787 . 1 1 70 70 VAL HG23 H 1 -0.198 0.010 . 2 . . . A 70 VAL HG23 . 18508 1 788 . 1 1 70 70 VAL C C 13 175.646 0.012 . 1 . . . A 70 VAL C . 18508 1 789 . 1 1 70 70 VAL CA C 13 60.703 0.051 . 1 . . . A 70 VAL CA . 18508 1 790 . 1 1 70 70 VAL CB C 13 33.685 0.065 . 1 . . . A 70 VAL CB . 18508 1 791 . 1 1 70 70 VAL CG1 C 13 20.341 0.005 . 2 . . . A 70 VAL CG1 . 18508 1 792 . 1 1 70 70 VAL CG2 C 13 20.083 0.068 . 2 . . . A 70 VAL CG2 . 18508 1 793 . 1 1 70 70 VAL N N 15 127.072 0.023 . 1 . . . A 70 VAL N . 18508 1 794 . 1 1 71 71 ASP H H 1 8.968 0.003 . 1 . . . A 71 ASP H . 18508 1 795 . 1 1 71 71 ASP HA H 1 4.281 0.009 . 1 . . . A 71 ASP HA . 18508 1 796 . 1 1 71 71 ASP HB2 H 1 2.723 0.009 . 2 . . . A 71 ASP HB2 . 18508 1 797 . 1 1 71 71 ASP HB3 H 1 2.523 0.008 . 2 . . . A 71 ASP HB3 . 18508 1 798 . 1 1 71 71 ASP C C 13 176.141 0.009 . 1 . . . A 71 ASP C . 18508 1 799 . 1 1 71 71 ASP CA C 13 55.751 0.066 . 1 . . . A 71 ASP CA . 18508 1 800 . 1 1 71 71 ASP CB C 13 39.670 0.015 . 1 . . . A 71 ASP CB . 18508 1 801 . 1 1 71 71 ASP N N 15 129.004 0.023 . 1 . . . A 71 ASP N . 18508 1 802 . 1 1 72 72 GLY H H 1 7.532 0.003 . 1 . . . A 72 GLY H . 18508 1 803 . 1 1 72 72 GLY HA2 H 1 3.026 0.009 . 2 . . . A 72 GLY HA2 . 18508 1 804 . 1 1 72 72 GLY HA3 H 1 3.899 0.006 . 2 . . . A 72 GLY HA3 . 18508 1 805 . 1 1 72 72 GLY C C 13 173.156 0.024 . 1 . . . A 72 GLY C . 18508 1 806 . 1 1 72 72 GLY CA C 13 45.467 0.085 . 1 . . . A 72 GLY CA . 18508 1 807 . 1 1 72 72 GLY N N 15 100.892 0.024 . 1 . . . A 72 GLY N . 18508 1 808 . 1 1 73 73 GLN H H 1 6.972 0.003 . 1 . . . A 73 GLN H . 18508 1 809 . 1 1 73 73 GLN HA H 1 4.521 0.007 . 1 . . . A 73 GLN HA . 18508 1 810 . 1 1 73 73 GLN HB2 H 1 1.990 0.009 . 2 . . . A 73 GLN HB2 . 18508 1 811 . 1 1 73 73 GLN HB3 H 1 1.760 0.008 . 2 . . . A 73 GLN HB3 . 18508 1 812 . 1 1 73 73 GLN HG2 H 1 2.247 0.012 . 2 . . . A 73 GLN HG2 . 18508 1 813 . 1 1 73 73 GLN HG3 H 1 2.171 0.007 . 2 . . . A 73 GLN HG3 . 18508 1 814 . 1 1 73 73 GLN HE21 H 1 6.822 0.003 . 2 . . . A 73 GLN HE21 . 18508 1 815 . 1 1 73 73 GLN HE22 H 1 7.528 0.002 . 2 . . . A 73 GLN HE22 . 18508 1 816 . 1 1 73 73 GLN C C 13 174.015 0.005 . 1 . . . A 73 GLN C . 18508 1 817 . 1 1 73 73 GLN CA C 13 53.315 0.084 . 1 . . . A 73 GLN CA . 18508 1 818 . 1 1 73 73 GLN CB C 13 31.897 0.087 . 1 . . . A 73 GLN CB . 18508 1 819 . 1 1 73 73 GLN CG C 13 32.964 0.059 . 1 . . . A 73 GLN CG . 18508 1 820 . 1 1 73 73 GLN N N 15 117.670 0.008 . 1 . . . A 73 GLN N . 18508 1 821 . 1 1 73 73 GLN NE2 N 15 112.006 0.185 . 1 . . . A 73 GLN NE2 . 18508 1 822 . 1 1 74 74 TRP H H 1 8.989 0.003 . 1 . . . A 74 TRP H . 18508 1 823 . 1 1 74 74 TRP HA H 1 5.693 0.013 . 1 . . . A 74 TRP HA . 18508 1 824 . 1 1 74 74 TRP HB2 H 1 3.071 0.011 . 2 . . . A 74 TRP HB2 . 18508 1 825 . 1 1 74 74 TRP HB3 H 1 3.255 0.010 . 2 . . . A 74 TRP HB3 . 18508 1 826 . 1 1 74 74 TRP HD1 H 1 7.519 0.009 . 1 . . . A 74 TRP HD1 . 18508 1 827 . 1 1 74 74 TRP HE1 H 1 10.364 0.006 . 1 . . . A 74 TRP HE1 . 18508 1 828 . 1 1 74 74 TRP HE3 H 1 7.601 0.005 . 1 . . . A 74 TRP HE3 . 18508 1 829 . 1 1 74 74 TRP HZ2 H 1 7.382 0.003 . 1 . . . A 74 TRP HZ2 . 18508 1 830 . 1 1 74 74 TRP HZ3 H 1 6.991 0.003 . 1 . . . A 74 TRP HZ3 . 18508 1 831 . 1 1 74 74 TRP HH2 H 1 6.839 0.015 . 1 . . . A 74 TRP HH2 . 18508 1 832 . 1 1 74 74 TRP C C 13 177.147 0.007 . 1 . . . A 74 TRP C . 18508 1 833 . 1 1 74 74 TRP CA C 13 57.020 0.112 . 1 . . . A 74 TRP CA . 18508 1 834 . 1 1 74 74 TRP CB C 13 30.432 0.076 . 1 . . . A 74 TRP CB . 18508 1 835 . 1 1 74 74 TRP N N 15 124.138 0.012 . 1 . . . A 74 TRP N . 18508 1 836 . 1 1 74 74 TRP NE1 N 15 130.934 0.017 . 1 . . . A 74 TRP NE1 . 18508 1 837 . 1 1 75 75 VAL H H 1 9.824 0.004 . 1 . . . A 75 VAL H . 18508 1 838 . 1 1 75 75 VAL HA H 1 4.940 0.009 . 1 . . . A 75 VAL HA . 18508 1 839 . 1 1 75 75 VAL HB H 1 2.237 0.007 . 1 . . . A 75 VAL HB . 18508 1 840 . 1 1 75 75 VAL HG11 H 1 0.938 0.007 . 2 . . . A 75 VAL HG11 . 18508 1 841 . 1 1 75 75 VAL HG12 H 1 0.938 0.007 . 2 . . . A 75 VAL HG12 . 18508 1 842 . 1 1 75 75 VAL HG13 H 1 0.938 0.007 . 2 . . . A 75 VAL HG13 . 18508 1 843 . 1 1 75 75 VAL HG21 H 1 0.800 0.005 . 2 . . . A 75 VAL HG21 . 18508 1 844 . 1 1 75 75 VAL HG22 H 1 0.800 0.005 . 2 . . . A 75 VAL HG22 . 18508 1 845 . 1 1 75 75 VAL HG23 H 1 0.800 0.005 . 2 . . . A 75 VAL HG23 . 18508 1 846 . 1 1 75 75 VAL C C 13 172.513 0.015 . 1 . . . A 75 VAL C . 18508 1 847 . 1 1 75 75 VAL CA C 13 61.024 0.047 . 1 . . . A 75 VAL CA . 18508 1 848 . 1 1 75 75 VAL CB C 13 36.364 0.021 . 1 . . . A 75 VAL CB . 18508 1 849 . 1 1 75 75 VAL CG1 C 13 22.496 0.036 . 2 . . . A 75 VAL CG1 . 18508 1 850 . 1 1 75 75 VAL CG2 C 13 20.994 0.024 . 2 . . . A 75 VAL CG2 . 18508 1 851 . 1 1 75 75 VAL N N 15 123.056 0.018 . 1 . . . A 75 VAL N . 18508 1 852 . 1 1 76 76 HIS H H 1 7.732 0.003 . 1 . . . A 76 HIS H . 18508 1 853 . 1 1 76 76 HIS HA H 1 5.581 0.009 . 1 . . . A 76 HIS HA . 18508 1 854 . 1 1 76 76 HIS HB2 H 1 3.243 0.014 . 2 . . . A 76 HIS HB2 . 18508 1 855 . 1 1 76 76 HIS HB3 H 1 2.801 0.009 . 2 . . . A 76 HIS HB3 . 18508 1 856 . 1 1 76 76 HIS HD2 H 1 6.558 0.002 . 1 . . . A 76 HIS HD2 . 18508 1 857 . 1 1 76 76 HIS HE1 H 1 7.791 0.002 . 1 . . . A 76 HIS HE1 . 18508 1 858 . 1 1 76 76 HIS C C 13 173.141 0.015 . 1 . . . A 76 HIS C . 18508 1 859 . 1 1 76 76 HIS CA C 13 54.214 0.070 . 1 . . . A 76 HIS CA . 18508 1 860 . 1 1 76 76 HIS CB C 13 32.942 0.024 . 1 . . . A 76 HIS CB . 18508 1 861 . 1 1 76 76 HIS N N 15 120.174 0.021 . 1 . . . A 76 HIS N . 18508 1 862 . 1 1 77 77 ASP H H 1 10.724 0.005 . 1 . . . A 77 ASP H . 18508 1 863 . 1 1 77 77 ASP HA H 1 5.148 0.008 . 1 . . . A 77 ASP HA . 18508 1 864 . 1 1 77 77 ASP HB2 H 1 3.029 0.009 . 2 . . . A 77 ASP HB2 . 18508 1 865 . 1 1 77 77 ASP HB3 H 1 3.334 0.001 . 2 . . . A 77 ASP HB3 . 18508 1 866 . 1 1 77 77 ASP C C 13 177.178 0.000 . 1 . . . A 77 ASP C . 18508 1 867 . 1 1 77 77 ASP CA C 13 50.586 0.077 . 1 . . . A 77 ASP CA . 18508 1 868 . 1 1 77 77 ASP CB C 13 42.265 0.061 . 1 . . . A 77 ASP CB . 18508 1 869 . 1 1 77 77 ASP N N 15 121.468 0.018 . 1 . . . A 77 ASP N . 18508 1 870 . 1 1 78 78 PRO HA H 1 4.561 0.009 . 1 . . . A 78 PRO HA . 18508 1 871 . 1 1 78 78 PRO HB2 H 1 2.318 0.012 . 2 . . . A 78 PRO HB2 . 18508 1 872 . 1 1 78 78 PRO HB3 H 1 2.118 0.009 . 2 . . . A 78 PRO HB3 . 18508 1 873 . 1 1 78 78 PRO HG2 H 1 1.857 0.011 . 2 . . . A 78 PRO HG2 . 18508 1 874 . 1 1 78 78 PRO HG3 H 1 1.948 0.004 . 2 . . . A 78 PRO HG3 . 18508 1 875 . 1 1 78 78 PRO HD2 H 1 3.866 0.012 . 2 . . . A 78 PRO HD2 . 18508 1 876 . 1 1 78 78 PRO HD3 H 1 4.069 0.003 . 2 . . . A 78 PRO HD3 . 18508 1 877 . 1 1 78 78 PRO C C 13 177.474 0.000 . 1 . . . A 78 PRO C . 18508 1 878 . 1 1 78 78 PRO CA C 13 64.070 0.200 . 1 . . . A 78 PRO CA . 18508 1 879 . 1 1 78 78 PRO CB C 13 32.341 0.068 . 1 . . . A 78 PRO CB . 18508 1 880 . 1 1 78 78 PRO CG C 13 26.834 0.052 . 1 . . . A 78 PRO CG . 18508 1 881 . 1 1 78 78 PRO CD C 13 51.000 0.037 . 1 . . . A 78 PRO CD . 18508 1 882 . 1 1 79 79 SER H H 1 8.891 0.003 . 1 . . . A 79 SER H . 18508 1 883 . 1 1 79 79 SER HA H 1 4.516 0.006 . 1 . . . A 79 SER HA . 18508 1 884 . 1 1 79 79 SER HB2 H 1 3.900 0.005 . 2 . . . A 79 SER HB2 . 18508 1 885 . 1 1 79 79 SER HB3 H 1 4.031 0.010 . 2 . . . A 79 SER HB3 . 18508 1 886 . 1 1 79 79 SER C C 13 173.815 0.023 . 1 . . . A 79 SER C . 18508 1 887 . 1 1 79 79 SER CA C 13 59.325 0.085 . 1 . . . A 79 SER CA . 18508 1 888 . 1 1 79 79 SER CB C 13 63.859 0.125 . 1 . . . A 79 SER CB . 18508 1 889 . 1 1 79 79 SER N N 15 116.156 0.026 . 1 . . . A 79 SER N . 18508 1 890 . 1 1 80 80 GLU H H 1 7.367 0.005 . 1 . . . A 80 GLU H . 18508 1 891 . 1 1 80 80 GLU HA H 1 5.007 0.005 . 1 . . . A 80 GLU HA . 18508 1 892 . 1 1 80 80 GLU HB2 H 1 1.872 0.008 . 2 . . . A 80 GLU HB2 . 18508 1 893 . 1 1 80 80 GLU HB3 H 1 2.638 0.006 . 2 . . . A 80 GLU HB3 . 18508 1 894 . 1 1 80 80 GLU HG2 H 1 2.254 0.004 . 2 . . . A 80 GLU HG2 . 18508 1 895 . 1 1 80 80 GLU HG3 H 1 2.712 0.006 . 2 . . . A 80 GLU HG3 . 18508 1 896 . 1 1 80 80 GLU CA C 13 53.408 0.082 . 1 . . . A 80 GLU CA . 18508 1 897 . 1 1 80 80 GLU CB C 13 30.595 0.090 . 1 . . . A 80 GLU CB . 18508 1 898 . 1 1 80 80 GLU N N 15 122.460 0.036 . 1 . . . A 80 GLU N . 18508 1 899 . 1 1 81 81 PRO HA H 1 4.481 0.009 . 1 . . . A 81 PRO HA . 18508 1 900 . 1 1 81 81 PRO HB2 H 1 2.500 0.007 . 2 . . . A 81 PRO HB2 . 18508 1 901 . 1 1 81 81 PRO HB3 H 1 2.165 0.012 . 2 . . . A 81 PRO HB3 . 18508 1 902 . 1 1 81 81 PRO HG2 H 1 2.395 0.009 . 2 . . . A 81 PRO HG2 . 18508 1 903 . 1 1 81 81 PRO HG3 H 1 2.087 0.007 . 2 . . . A 81 PRO HG3 . 18508 1 904 . 1 1 81 81 PRO HD2 H 1 4.055 0.006 . 2 . . . A 81 PRO HD2 . 18508 1 905 . 1 1 81 81 PRO HD3 H 1 4.055 0.006 . 2 . . . A 81 PRO HD3 . 18508 1 906 . 1 1 81 81 PRO C C 13 177.067 0.019 . 1 . . . A 81 PRO C . 18508 1 907 . 1 1 81 81 PRO CA C 13 63.751 0.081 . 1 . . . A 81 PRO CA . 18508 1 908 . 1 1 81 81 PRO CB C 13 32.526 0.028 . 1 . . . A 81 PRO CB . 18508 1 909 . 1 1 81 81 PRO CG C 13 28.217 0.022 . 1 . . . A 81 PRO CG . 18508 1 910 . 1 1 81 81 PRO CD C 13 51.118 0.028 . 1 . . . A 81 PRO CD . 18508 1 911 . 1 1 82 82 VAL H H 1 8.192 0.005 . 1 . . . A 82 VAL H . 18508 1 912 . 1 1 82 82 VAL HA H 1 5.595 0.010 . 1 . . . A 82 VAL HA . 18508 1 913 . 1 1 82 82 VAL HB H 1 2.008 0.009 . 1 . . . A 82 VAL HB . 18508 1 914 . 1 1 82 82 VAL HG11 H 1 0.867 0.005 . 2 . . . A 82 VAL HG11 . 18508 1 915 . 1 1 82 82 VAL HG12 H 1 0.867 0.005 . 2 . . . A 82 VAL HG12 . 18508 1 916 . 1 1 82 82 VAL HG13 H 1 0.867 0.005 . 2 . . . A 82 VAL HG13 . 18508 1 917 . 1 1 82 82 VAL HG21 H 1 0.803 0.007 . 2 . . . A 82 VAL HG21 . 18508 1 918 . 1 1 82 82 VAL HG22 H 1 0.803 0.007 . 2 . . . A 82 VAL HG22 . 18508 1 919 . 1 1 82 82 VAL HG23 H 1 0.803 0.007 . 2 . . . A 82 VAL HG23 . 18508 1 920 . 1 1 82 82 VAL C C 13 175.730 0.005 . 1 . . . A 82 VAL C . 18508 1 921 . 1 1 82 82 VAL CA C 13 58.539 0.067 . 1 . . . A 82 VAL CA . 18508 1 922 . 1 1 82 82 VAL CB C 13 36.666 0.019 . 1 . . . A 82 VAL CB . 18508 1 923 . 1 1 82 82 VAL CG1 C 13 22.469 0.022 . 2 . . . A 82 VAL CG1 . 18508 1 924 . 1 1 82 82 VAL CG2 C 13 17.649 0.016 . 2 . . . A 82 VAL CG2 . 18508 1 925 . 1 1 82 82 VAL N N 15 114.124 0.093 . 1 . . . A 82 VAL N . 18508 1 926 . 1 1 83 83 VAL H H 1 8.911 0.003 . 1 . . . A 83 VAL H . 18508 1 927 . 1 1 83 83 VAL HA H 1 4.441 0.006 . 1 . . . A 83 VAL HA . 18508 1 928 . 1 1 83 83 VAL HB H 1 2.035 0.008 . 1 . . . A 83 VAL HB . 18508 1 929 . 1 1 83 83 VAL HG11 H 1 0.763 0.002 . 2 . . . A 83 VAL HG11 . 18508 1 930 . 1 1 83 83 VAL HG12 H 1 0.763 0.002 . 2 . . . A 83 VAL HG12 . 18508 1 931 . 1 1 83 83 VAL HG13 H 1 0.763 0.002 . 2 . . . A 83 VAL HG13 . 18508 1 932 . 1 1 83 83 VAL HG21 H 1 0.860 0.001 . 2 . . . A 83 VAL HG21 . 18508 1 933 . 1 1 83 83 VAL HG22 H 1 0.860 0.001 . 2 . . . A 83 VAL HG22 . 18508 1 934 . 1 1 83 83 VAL HG23 H 1 0.860 0.001 . 2 . . . A 83 VAL HG23 . 18508 1 935 . 1 1 83 83 VAL C C 13 172.570 0.005 . 1 . . . A 83 VAL C . 18508 1 936 . 1 1 83 83 VAL CA C 13 59.813 0.049 . 1 . . . A 83 VAL CA . 18508 1 937 . 1 1 83 83 VAL CB C 13 35.576 0.054 . 1 . . . A 83 VAL CB . 18508 1 938 . 1 1 83 83 VAL CG1 C 13 21.213 0.017 . 2 . . . A 83 VAL CG1 . 18508 1 939 . 1 1 83 83 VAL CG2 C 13 20.003 0.035 . 2 . . . A 83 VAL CG2 . 18508 1 940 . 1 1 83 83 VAL N N 15 117.870 0.020 . 1 . . . A 83 VAL N . 18508 1 941 . 1 1 84 84 THR H H 1 8.228 0.003 . 1 . . . A 84 THR H . 18508 1 942 . 1 1 84 84 THR HA H 1 4.783 0.008 . 1 . . . A 84 THR HA . 18508 1 943 . 1 1 84 84 THR HB H 1 3.895 0.005 . 1 . . . A 84 THR HB . 18508 1 944 . 1 1 84 84 THR HG21 H 1 1.161 0.008 . 1 . . . A 84 THR HG21 . 18508 1 945 . 1 1 84 84 THR HG22 H 1 1.161 0.008 . 1 . . . A 84 THR HG22 . 18508 1 946 . 1 1 84 84 THR HG23 H 1 1.161 0.008 . 1 . . . A 84 THR HG23 . 18508 1 947 . 1 1 84 84 THR C C 13 175.257 0.013 . 1 . . . A 84 THR C . 18508 1 948 . 1 1 84 84 THR CA C 13 61.934 0.114 . 1 . . . A 84 THR CA . 18508 1 949 . 1 1 84 84 THR CB C 13 68.748 0.062 . 1 . . . A 84 THR CB . 18508 1 950 . 1 1 84 84 THR CG2 C 13 21.388 0.046 . 1 . . . A 84 THR CG2 . 18508 1 951 . 1 1 84 84 THR N N 15 120.137 0.018 . 1 . . . A 84 THR N . 18508 1 952 . 1 1 85 85 SER H H 1 9.641 0.003 . 1 . . . A 85 SER H . 18508 1 953 . 1 1 85 85 SER HA H 1 4.552 0.008 . 1 . . . A 85 SER HA . 18508 1 954 . 1 1 85 85 SER HB2 H 1 3.813 0.005 . 2 . . . A 85 SER HB2 . 18508 1 955 . 1 1 85 85 SER HB3 H 1 4.238 0.004 . 2 . . . A 85 SER HB3 . 18508 1 956 . 1 1 85 85 SER C C 13 176.875 0.005 . 1 . . . A 85 SER C . 18508 1 957 . 1 1 85 85 SER CA C 13 57.286 0.044 . 1 . . . A 85 SER CA . 18508 1 958 . 1 1 85 85 SER CB C 13 66.744 0.071 . 1 . . . A 85 SER CB . 18508 1 959 . 1 1 85 85 SER N N 15 125.178 0.018 . 1 . . . A 85 SER N . 18508 1 960 . 1 1 86 86 GLN H H 1 9.379 0.009 . 1 . . . A 86 GLN H . 18508 1 961 . 1 1 86 86 GLN HA H 1 4.113 0.007 . 1 . . . A 86 GLN HA . 18508 1 962 . 1 1 86 86 GLN HB2 H 1 2.265 0.012 . 2 . . . A 86 GLN HB2 . 18508 1 963 . 1 1 86 86 GLN HB3 H 1 2.021 0.007 . 2 . . . A 86 GLN HB3 . 18508 1 964 . 1 1 86 86 GLN HG2 H 1 2.505 0.007 . 2 . . . A 86 GLN HG2 . 18508 1 965 . 1 1 86 86 GLN HG3 H 1 2.505 0.007 . 2 . . . A 86 GLN HG3 . 18508 1 966 . 1 1 86 86 GLN HE21 H 1 6.869 0.003 . 2 . . . A 86 GLN HE21 . 18508 1 967 . 1 1 86 86 GLN HE22 H 1 7.579 0.002 . 2 . . . A 86 GLN HE22 . 18508 1 968 . 1 1 86 86 GLN C C 13 176.393 0.050 . 1 . . . A 86 GLN C . 18508 1 969 . 1 1 86 86 GLN CA C 13 58.290 0.088 . 1 . . . A 86 GLN CA . 18508 1 970 . 1 1 86 86 GLN CB C 13 28.443 0.028 . 1 . . . A 86 GLN CB . 18508 1 971 . 1 1 86 86 GLN CG C 13 34.844 0.041 . 1 . . . A 86 GLN CG . 18508 1 972 . 1 1 86 86 GLN N N 15 121.080 0.035 . 1 . . . A 86 GLN N . 18508 1 973 . 1 1 86 86 GLN NE2 N 15 112.944 0.044 . 1 . . . A 86 GLN NE2 . 18508 1 974 . 1 1 87 87 LEU H H 1 7.352 0.004 . 1 . . . A 87 LEU H . 18508 1 975 . 1 1 87 87 LEU HA H 1 4.290 0.008 . 1 . . . A 87 LEU HA . 18508 1 976 . 1 1 87 87 LEU HB2 H 1 1.187 0.006 . 2 . . . A 87 LEU HB2 . 18508 1 977 . 1 1 87 87 LEU HB3 H 1 1.636 0.007 . 2 . . . A 87 LEU HB3 . 18508 1 978 . 1 1 87 87 LEU HG H 1 1.776 0.005 . 1 . . . A 87 LEU HG . 18508 1 979 . 1 1 87 87 LEU HD11 H 1 0.874 0.009 . 1 . . . A 87 LEU HD11 . 18508 1 980 . 1 1 87 87 LEU HD12 H 1 0.874 0.009 . 1 . . . A 87 LEU HD12 . 18508 1 981 . 1 1 87 87 LEU HD13 H 1 0.874 0.009 . 1 . . . A 87 LEU HD13 . 18508 1 982 . 1 1 87 87 LEU HD21 H 1 0.668 0.008 . 1 . . . A 87 LEU HD21 . 18508 1 983 . 1 1 87 87 LEU HD22 H 1 0.668 0.008 . 1 . . . A 87 LEU HD22 . 18508 1 984 . 1 1 87 87 LEU HD23 H 1 0.668 0.008 . 1 . . . A 87 LEU HD23 . 18508 1 985 . 1 1 87 87 LEU C C 13 175.023 0.018 . 1 . . . A 87 LEU C . 18508 1 986 . 1 1 87 87 LEU CA C 13 54.320 0.056 . 1 . . . A 87 LEU CA . 18508 1 987 . 1 1 87 87 LEU CB C 13 44.277 0.061 . 1 . . . A 87 LEU CB . 18508 1 988 . 1 1 87 87 LEU CG C 13 27.500 0.046 . 1 . . . A 87 LEU CG . 18508 1 989 . 1 1 87 87 LEU CD1 C 13 24.595 0.244 . 2 . . . A 87 LEU CD1 . 18508 1 990 . 1 1 87 87 LEU CD2 C 13 25.745 0.044 . 2 . . . A 87 LEU CD2 . 18508 1 991 . 1 1 87 87 LEU N N 15 117.582 0.026 . 1 . . . A 87 LEU N . 18508 1 992 . 1 1 88 88 GLY H H 1 7.942 0.004 . 1 . . . A 88 GLY H . 18508 1 993 . 1 1 88 88 GLY HA2 H 1 3.485 0.009 . 2 . . . A 88 GLY HA2 . 18508 1 994 . 1 1 88 88 GLY HA3 H 1 4.133 0.006 . 2 . . . A 88 GLY HA3 . 18508 1 995 . 1 1 88 88 GLY C C 13 174.437 0.023 . 1 . . . A 88 GLY C . 18508 1 996 . 1 1 88 88 GLY CA C 13 44.892 0.040 . 1 . . . A 88 GLY CA . 18508 1 997 . 1 1 88 88 GLY N N 15 106.852 0.069 . 1 . . . A 88 GLY N . 18508 1 998 . 1 1 89 89 THR H H 1 7.086 0.003 . 1 . . . A 89 THR H . 18508 1 999 . 1 1 89 89 THR HA H 1 4.520 0.004 . 1 . . . A 89 THR HA . 18508 1 1000 . 1 1 89 89 THR HB H 1 4.033 0.002 . 1 . . . A 89 THR HB . 18508 1 1001 . 1 1 89 89 THR HG21 H 1 1.020 0.001 . 1 . . . A 89 THR HG21 . 18508 1 1002 . 1 1 89 89 THR HG22 H 1 1.020 0.001 . 1 . . . A 89 THR HG22 . 18508 1 1003 . 1 1 89 89 THR HG23 H 1 1.020 0.001 . 1 . . . A 89 THR HG23 . 18508 1 1004 . 1 1 89 89 THR C C 13 172.232 0.000 . 1 . . . A 89 THR C . 18508 1 1005 . 1 1 89 89 THR CA C 13 58.639 0.082 . 1 . . . A 89 THR CA . 18508 1 1006 . 1 1 89 89 THR CB C 13 70.922 0.070 . 1 . . . A 89 THR CB . 18508 1 1007 . 1 1 89 89 THR CG2 C 13 23.553 0.040 . 1 . . . A 89 THR CG2 . 18508 1 1008 . 1 1 89 89 THR N N 15 109.212 0.006 . 1 . . . A 89 THR N . 18508 1 1009 . 1 1 90 90 ILE H H 1 8.529 0.003 . 1 . . . A 90 ILE H . 18508 1 1010 . 1 1 90 90 ILE HA H 1 4.346 0.006 . 1 . . . A 90 ILE HA . 18508 1 1011 . 1 1 90 90 ILE HB H 1 1.468 0.004 . 1 . . . A 90 ILE HB . 18508 1 1012 . 1 1 90 90 ILE HG12 H 1 1.363 0.004 . 2 . . . A 90 ILE HG12 . 18508 1 1013 . 1 1 90 90 ILE HG13 H 1 1.033 0.002 . 2 . . . A 90 ILE HG13 . 18508 1 1014 . 1 1 90 90 ILE HG21 H 1 0.158 0.004 . 1 . . . A 90 ILE HG21 . 18508 1 1015 . 1 1 90 90 ILE HG22 H 1 0.158 0.004 . 1 . . . A 90 ILE HG22 . 18508 1 1016 . 1 1 90 90 ILE HG23 H 1 0.158 0.004 . 1 . . . A 90 ILE HG23 . 18508 1 1017 . 1 1 90 90 ILE HD11 H 1 0.623 0.006 . 1 . . . A 90 ILE HD11 . 18508 1 1018 . 1 1 90 90 ILE HD12 H 1 0.623 0.006 . 1 . . . A 90 ILE HD12 . 18508 1 1019 . 1 1 90 90 ILE HD13 H 1 0.623 0.006 . 1 . . . A 90 ILE HD13 . 18508 1 1020 . 1 1 90 90 ILE CA C 13 60.578 0.114 . 1 . . . A 90 ILE CA . 18508 1 1021 . 1 1 90 90 ILE CB C 13 38.022 0.039 . 1 . . . A 90 ILE CB . 18508 1 1022 . 1 1 90 90 ILE CG1 C 13 27.314 0.021 . 1 . . . A 90 ILE CG1 . 18508 1 1023 . 1 1 90 90 ILE CG2 C 13 16.369 0.079 . 1 . . . A 90 ILE CG2 . 18508 1 1024 . 1 1 90 90 ILE CD1 C 13 11.697 0.031 . 1 . . . A 90 ILE CD1 . 18508 1 1025 . 1 1 90 90 ILE N N 15 121.192 0.032 . 1 . . . A 90 ILE N . 18508 1 1026 . 1 1 91 91 ASN H H 1 8.813 0.008 . 1 . . . A 91 ASN H . 18508 1 1027 . 1 1 91 91 ASN HA H 1 5.331 0.008 . 1 . . . A 91 ASN HA . 18508 1 1028 . 1 1 91 91 ASN HB2 H 1 2.280 0.008 . 2 . . . A 91 ASN HB2 . 18508 1 1029 . 1 1 91 91 ASN HB3 H 1 3.301 0.008 . 2 . . . A 91 ASN HB3 . 18508 1 1030 . 1 1 91 91 ASN HD22 H 1 8.113 0.002 . 2 . . . A 91 ASN HD22 . 18508 1 1031 . 1 1 91 91 ASN C C 13 175.606 0.005 . 1 . . . A 91 ASN C . 18508 1 1032 . 1 1 91 91 ASN CA C 13 50.679 0.101 . 1 . . . A 91 ASN CA . 18508 1 1033 . 1 1 91 91 ASN CB C 13 42.029 0.043 . 1 . . . A 91 ASN CB . 18508 1 1034 . 1 1 91 91 ASN N N 15 123.832 0.032 . 1 . . . A 91 ASN N . 18508 1 1035 . 1 1 91 91 ASN ND2 N 15 114.493 0.037 . 1 . . . A 91 ASN ND2 . 18508 1 1036 . 1 1 92 92 ASN H H 1 8.693 0.004 . 1 . . . A 92 ASN H . 18508 1 1037 . 1 1 92 92 ASN HA H 1 5.730 0.014 . 1 . . . A 92 ASN HA . 18508 1 1038 . 1 1 92 92 ASN HB2 H 1 2.459 0.008 . 2 . . . A 92 ASN HB2 . 18508 1 1039 . 1 1 92 92 ASN HB3 H 1 1.078 0.008 . 2 . . . A 92 ASN HB3 . 18508 1 1040 . 1 1 92 92 ASN HD21 H 1 7.026 0.003 . 2 . . . A 92 ASN HD21 . 18508 1 1041 . 1 1 92 92 ASN HD22 H 1 8.147 0.003 . 2 . . . A 92 ASN HD22 . 18508 1 1042 . 1 1 92 92 ASN C C 13 173.714 0.011 . 1 . . . A 92 ASN C . 18508 1 1043 . 1 1 92 92 ASN CA C 13 54.557 0.095 . 1 . . . A 92 ASN CA . 18508 1 1044 . 1 1 92 92 ASN CB C 13 42.275 0.048 . 1 . . . A 92 ASN CB . 18508 1 1045 . 1 1 92 92 ASN N N 15 114.977 0.016 . 1 . . . A 92 ASN N . 18508 1 1046 . 1 1 92 92 ASN ND2 N 15 108.483 0.054 . 1 . . . A 92 ASN ND2 . 18508 1 1047 . 1 1 93 93 LEU H H 1 7.589 0.003 . 1 . . . A 93 LEU H . 18508 1 1048 . 1 1 93 93 LEU HA H 1 5.339 0.008 . 1 . . . A 93 LEU HA . 18508 1 1049 . 1 1 93 93 LEU HB2 H 1 1.201 0.006 . 2 . . . A 93 LEU HB2 . 18508 1 1050 . 1 1 93 93 LEU HB3 H 1 1.460 0.010 . 2 . . . A 93 LEU HB3 . 18508 1 1051 . 1 1 93 93 LEU HG H 1 1.306 0.005 . 1 . . . A 93 LEU HG . 18508 1 1052 . 1 1 93 93 LEU HD11 H 1 0.802 0.000 . 1 . . . A 93 LEU HD11 . 18508 1 1053 . 1 1 93 93 LEU HD12 H 1 0.802 0.000 . 1 . . . A 93 LEU HD12 . 18508 1 1054 . 1 1 93 93 LEU HD13 H 1 0.802 0.000 . 1 . . . A 93 LEU HD13 . 18508 1 1055 . 1 1 93 93 LEU HD21 H 1 0.794 0.003 . 1 . . . A 93 LEU HD21 . 18508 1 1056 . 1 1 93 93 LEU HD22 H 1 0.794 0.003 . 1 . . . A 93 LEU HD22 . 18508 1 1057 . 1 1 93 93 LEU HD23 H 1 0.794 0.003 . 1 . . . A 93 LEU HD23 . 18508 1 1058 . 1 1 93 93 LEU C C 13 175.937 0.001 . 1 . . . A 93 LEU C . 18508 1 1059 . 1 1 93 93 LEU CA C 13 53.394 0.061 . 1 . . . A 93 LEU CA . 18508 1 1060 . 1 1 93 93 LEU CB C 13 47.237 0.020 . 1 . . . A 93 LEU CB . 18508 1 1061 . 1 1 93 93 LEU CG C 13 27.170 0.053 . 1 . . . A 93 LEU CG . 18508 1 1062 . 1 1 93 93 LEU CD1 C 13 24.440 0.000 . 2 . . . A 93 LEU CD1 . 18508 1 1063 . 1 1 93 93 LEU CD2 C 13 25.699 0.026 . 2 . . . A 93 LEU CD2 . 18508 1 1064 . 1 1 93 93 LEU N N 15 120.049 0.014 . 1 . . . A 93 LEU N . 18508 1 1065 . 1 1 94 94 ILE H H 1 9.266 0.003 . 1 . . . A 94 ILE H . 18508 1 1066 . 1 1 94 94 ILE HA H 1 4.893 0.007 . 1 . . . A 94 ILE HA . 18508 1 1067 . 1 1 94 94 ILE HB H 1 2.117 0.010 . 1 . . . A 94 ILE HB . 18508 1 1068 . 1 1 94 94 ILE HG12 H 1 1.718 0.004 . 2 . . . A 94 ILE HG12 . 18508 1 1069 . 1 1 94 94 ILE HG13 H 1 1.027 0.003 . 2 . . . A 94 ILE HG13 . 18508 1 1070 . 1 1 94 94 ILE HG21 H 1 0.972 0.005 . 1 . . . A 94 ILE HG21 . 18508 1 1071 . 1 1 94 94 ILE HG22 H 1 0.972 0.005 . 1 . . . A 94 ILE HG22 . 18508 1 1072 . 1 1 94 94 ILE HG23 H 1 0.972 0.005 . 1 . . . A 94 ILE HG23 . 18508 1 1073 . 1 1 94 94 ILE HD11 H 1 0.792 0.004 . 1 . . . A 94 ILE HD11 . 18508 1 1074 . 1 1 94 94 ILE HD12 H 1 0.792 0.004 . 1 . . . A 94 ILE HD12 . 18508 1 1075 . 1 1 94 94 ILE HD13 H 1 0.792 0.004 . 1 . . . A 94 ILE HD13 . 18508 1 1076 . 1 1 94 94 ILE C C 13 172.070 0.017 . 1 . . . A 94 ILE C . 18508 1 1077 . 1 1 94 94 ILE CA C 13 59.250 0.027 . 1 . . . A 94 ILE CA . 18508 1 1078 . 1 1 94 94 ILE CB C 13 42.095 0.042 . 1 . . . A 94 ILE CB . 18508 1 1079 . 1 1 94 94 ILE CG1 C 13 29.482 0.110 . 1 . . . A 94 ILE CG1 . 18508 1 1080 . 1 1 94 94 ILE CG2 C 13 16.263 0.019 . 1 . . . A 94 ILE CG2 . 18508 1 1081 . 1 1 94 94 ILE CD1 C 13 14.460 0.025 . 1 . . . A 94 ILE CD1 . 18508 1 1082 . 1 1 94 94 ILE N N 15 124.644 0.024 . 1 . . . A 94 ILE N . 18508 1 1083 . 1 1 95 95 HIS H H 1 8.704 0.004 . 1 . . . A 95 HIS H . 18508 1 1084 . 1 1 95 95 HIS HA H 1 5.137 0.013 . 1 . . . A 95 HIS HA . 18508 1 1085 . 1 1 95 95 HIS HB2 H 1 2.976 0.014 . 2 . . . A 95 HIS HB2 . 18508 1 1086 . 1 1 95 95 HIS HB3 H 1 3.133 0.013 . 2 . . . A 95 HIS HB3 . 18508 1 1087 . 1 1 95 95 HIS HD2 H 1 6.880 0.002 . 1 . . . A 95 HIS HD2 . 18508 1 1088 . 1 1 95 95 HIS HE1 H 1 7.977 0.002 . 1 . . . A 95 HIS HE1 . 18508 1 1089 . 1 1 95 95 HIS C C 13 174.569 0.003 . 1 . . . A 95 HIS C . 18508 1 1090 . 1 1 95 95 HIS CA C 13 54.357 0.088 . 1 . . . A 95 HIS CA . 18508 1 1091 . 1 1 95 95 HIS CB C 13 31.183 0.121 . 1 . . . A 95 HIS CB . 18508 1 1092 . 1 1 95 95 HIS N N 15 126.857 0.056 . 1 . . . A 95 HIS N . 18508 1 1093 . 1 1 96 96 VAL H H 1 9.101 0.003 . 1 . . . A 96 VAL H . 18508 1 1094 . 1 1 96 96 VAL HA H 1 4.149 0.009 . 1 . . . A 96 VAL HA . 18508 1 1095 . 1 1 96 96 VAL HB H 1 2.410 0.006 . 1 . . . A 96 VAL HB . 18508 1 1096 . 1 1 96 96 VAL HG11 H 1 0.811 0.007 . 2 . . . A 96 VAL HG11 . 18508 1 1097 . 1 1 96 96 VAL HG12 H 1 0.811 0.007 . 2 . . . A 96 VAL HG12 . 18508 1 1098 . 1 1 96 96 VAL HG13 H 1 0.811 0.007 . 2 . . . A 96 VAL HG13 . 18508 1 1099 . 1 1 96 96 VAL HG21 H 1 0.986 0.008 . 2 . . . A 96 VAL HG21 . 18508 1 1100 . 1 1 96 96 VAL HG22 H 1 0.986 0.008 . 2 . . . A 96 VAL HG22 . 18508 1 1101 . 1 1 96 96 VAL HG23 H 1 0.986 0.008 . 2 . . . A 96 VAL HG23 . 18508 1 1102 . 1 1 96 96 VAL C C 13 175.533 0.058 . 1 . . . A 96 VAL C . 18508 1 1103 . 1 1 96 96 VAL CA C 13 62.493 0.046 . 1 . . . A 96 VAL CA . 18508 1 1104 . 1 1 96 96 VAL CB C 13 32.371 0.032 . 1 . . . A 96 VAL CB . 18508 1 1105 . 1 1 96 96 VAL CG1 C 13 20.906 0.021 . 2 . . . A 96 VAL CG1 . 18508 1 1106 . 1 1 96 96 VAL CG2 C 13 22.148 0.015 . 2 . . . A 96 VAL CG2 . 18508 1 1107 . 1 1 96 96 VAL N N 15 128.553 0.015 . 1 . . . A 96 VAL N . 18508 1 1108 . 1 1 97 97 LYS H H 1 8.715 0.003 . 1 . . . A 97 LYS H . 18508 1 1109 . 1 1 97 97 LYS HA H 1 4.581 0.010 . 1 . . . A 97 LYS HA . 18508 1 1110 . 1 1 97 97 LYS HB2 H 1 1.643 0.008 . 2 . . . A 97 LYS HB2 . 18508 1 1111 . 1 1 97 97 LYS HB3 H 1 1.808 0.006 . 2 . . . A 97 LYS HB3 . 18508 1 1112 . 1 1 97 97 LYS HG2 H 1 1.441 0.006 . 2 . . . A 97 LYS HG2 . 18508 1 1113 . 1 1 97 97 LYS HG3 H 1 1.282 0.008 . 2 . . . A 97 LYS HG3 . 18508 1 1114 . 1 1 97 97 LYS HD2 H 1 1.681 0.002 . 2 . . . A 97 LYS HD2 . 18508 1 1115 . 1 1 97 97 LYS HD3 H 1 1.575 0.015 . 2 . . . A 97 LYS HD3 . 18508 1 1116 . 1 1 97 97 LYS HE2 H 1 2.862 0.006 . 2 . . . A 97 LYS HE2 . 18508 1 1117 . 1 1 97 97 LYS C C 13 176.045 0.009 . 1 . . . A 97 LYS C . 18508 1 1118 . 1 1 97 97 LYS CA C 13 55.149 0.083 . 1 . . . A 97 LYS CA . 18508 1 1119 . 1 1 97 97 LYS CB C 13 34.664 0.049 . 1 . . . A 97 LYS CB . 18508 1 1120 . 1 1 97 97 LYS CG C 13 24.418 0.250 . 1 . . . A 97 LYS CG . 18508 1 1121 . 1 1 97 97 LYS CD C 13 29.073 0.054 . 1 . . . A 97 LYS CD . 18508 1 1122 . 1 1 97 97 LYS CE C 13 41.752 0.084 . 1 . . . A 97 LYS CE . 18508 1 1123 . 1 1 97 97 LYS N N 15 128.639 0.023 . 1 . . . A 97 LYS N . 18508 1 1124 . 1 1 98 98 LYS H H 1 8.736 0.004 . 1 . . . A 98 LYS H . 18508 1 1125 . 1 1 98 98 LYS HA H 1 4.150 0.006 . 1 . . . A 98 LYS HA . 18508 1 1126 . 1 1 98 98 LYS HB2 H 1 1.779 0.008 . 2 . . . A 98 LYS HB2 . 18508 1 1127 . 1 1 98 98 LYS HB3 H 1 1.413 0.005 . 2 . . . A 98 LYS HB3 . 18508 1 1128 . 1 1 98 98 LYS HG2 H 1 1.422 0.009 . 2 . . . A 98 LYS HG2 . 18508 1 1129 . 1 1 98 98 LYS HG3 H 1 1.422 0.009 . 2 . . . A 98 LYS HG3 . 18508 1 1130 . 1 1 98 98 LYS HD2 H 1 1.678 0.006 . 2 . . . A 98 LYS HD2 . 18508 1 1131 . 1 1 98 98 LYS HD3 H 1 1.678 0.006 . 2 . . . A 98 LYS HD3 . 18508 1 1132 . 1 1 98 98 LYS HE2 H 1 2.979 0.005 . 2 . . . A 98 LYS HE2 . 18508 1 1133 . 1 1 98 98 LYS HE3 H 1 2.979 0.005 . 2 . . . A 98 LYS HE3 . 18508 1 1134 . 1 1 98 98 LYS C C 13 176.953 0.005 . 1 . . . A 98 LYS C . 18508 1 1135 . 1 1 98 98 LYS CA C 13 57.297 0.066 . 1 . . . A 98 LYS CA . 18508 1 1136 . 1 1 98 98 LYS CB C 13 32.857 0.059 . 1 . . . A 98 LYS CB . 18508 1 1137 . 1 1 98 98 LYS CG C 13 24.780 0.000 . 1 . . . A 98 LYS CG . 18508 1 1138 . 1 1 98 98 LYS CD C 13 29.193 0.076 . 1 . . . A 98 LYS CD . 18508 1 1139 . 1 1 98 98 LYS CE C 13 41.805 0.089 . 1 . . . A 98 LYS CE . 18508 1 1140 . 1 1 98 98 LYS N N 15 122.779 0.015 . 1 . . . A 98 LYS N . 18508 1 1141 . 1 1 99 99 SER H H 1 8.394 0.005 . 1 . . . A 99 SER H . 18508 1 1142 . 1 1 99 99 SER HA H 1 4.378 0.007 . 1 . . . A 99 SER HA . 18508 1 1143 . 1 1 99 99 SER HB2 H 1 3.759 0.007 . 2 . . . A 99 SER HB2 . 18508 1 1144 . 1 1 99 99 SER HB3 H 1 3.854 0.007 . 2 . . . A 99 SER HB3 . 18508 1 1145 . 1 1 99 99 SER C C 13 174.365 0.023 . 1 . . . A 99 SER C . 18508 1 1146 . 1 1 99 99 SER CA C 13 58.599 0.136 . 1 . . . A 99 SER CA . 18508 1 1147 . 1 1 99 99 SER CB C 13 63.763 0.091 . 1 . . . A 99 SER CB . 18508 1 1148 . 1 1 99 99 SER N N 15 116.779 0.029 . 1 . . . A 99 SER N . 18508 1 1149 . 1 1 100 100 ASP H H 1 8.289 0.005 . 1 . . . A 100 ASP H . 18508 1 1150 . 1 1 100 100 ASP HA H 1 4.542 0.009 . 1 . . . A 100 ASP HA . 18508 1 1151 . 1 1 100 100 ASP HB2 H 1 2.529 0.010 . 2 . . . A 100 ASP HB2 . 18508 1 1152 . 1 1 100 100 ASP HB3 H 1 2.529 0.010 . 2 . . . A 100 ASP HB3 . 18508 1 1153 . 1 1 100 100 ASP C C 13 175.829 0.012 . 1 . . . A 100 ASP C . 18508 1 1154 . 1 1 100 100 ASP CA C 13 54.888 0.051 . 1 . . . A 100 ASP CA . 18508 1 1155 . 1 1 100 100 ASP CB C 13 40.971 0.020 . 1 . . . A 100 ASP CB . 18508 1 1156 . 1 1 100 100 ASP N N 15 122.456 0.019 . 1 . . . A 100 ASP N . 18508 1 1157 . 1 1 101 101 PHE H H 1 7.920 0.003 . 1 . . . A 101 PHE H . 18508 1 1158 . 1 1 101 101 PHE HA H 1 4.605 0.011 . 1 . . . A 101 PHE HA . 18508 1 1159 . 1 1 101 101 PHE HB2 H 1 3.159 0.007 . 2 . . . A 101 PHE HB2 . 18508 1 1160 . 1 1 101 101 PHE HB3 H 1 2.978 0.007 . 2 . . . A 101 PHE HB3 . 18508 1 1161 . 1 1 101 101 PHE C C 13 175.336 0.027 . 1 . . . A 101 PHE C . 18508 1 1162 . 1 1 101 101 PHE CA C 13 57.475 0.039 . 1 . . . A 101 PHE CA . 18508 1 1163 . 1 1 101 101 PHE CB C 13 39.632 0.047 . 1 . . . A 101 PHE CB . 18508 1 1164 . 1 1 101 101 PHE N N 15 118.610 0.009 . 1 . . . A 101 PHE N . 18508 1 1165 . 1 1 102 102 GLU H H 1 8.133 0.003 . 1 . . . A 102 GLU H . 18508 1 1166 . 1 1 102 102 GLU HA H 1 4.210 0.008 . 1 . . . A 102 GLU HA . 18508 1 1167 . 1 1 102 102 GLU HB2 H 1 1.842 0.007 . 2 . . . A 102 GLU HB2 . 18508 1 1168 . 1 1 102 102 GLU HB3 H 1 1.845 0.007 . 2 . . . A 102 GLU HB3 . 18508 1 1169 . 1 1 102 102 GLU HG2 H 1 2.056 0.000 . 2 . . . A 102 GLU HG2 . 18508 1 1170 . 1 1 102 102 GLU HG3 H 1 2.114 0.018 . 2 . . . A 102 GLU HG3 . 18508 1 1171 . 1 1 102 102 GLU CA C 13 56.356 0.075 . 1 . . . A 102 GLU CA . 18508 1 1172 . 1 1 102 102 GLU CB C 13 30.629 0.010 . 1 . . . A 102 GLU CB . 18508 1 1173 . 1 1 102 102 GLU CG C 13 36.425 0.111 . 1 . . . A 102 GLU CG . 18508 1 1174 . 1 1 102 102 GLU N N 15 122.036 0.008 . 1 . . . A 102 GLU N . 18508 1 1175 . 1 1 103 103 VAL H H 1 7.929 0.004 . 1 . . . A 103 VAL H . 18508 1 1176 . 1 1 103 103 VAL HA H 1 4.050 0.008 . 1 . . . A 103 VAL HA . 18508 1 1177 . 1 1 103 103 VAL HB H 1 1.948 0.007 . 1 . . . A 103 VAL HB . 18508 1 1178 . 1 1 103 103 VAL HG11 H 1 0.843 0.005 . 2 . . . A 103 VAL HG11 . 18508 1 1179 . 1 1 103 103 VAL HG12 H 1 0.843 0.005 . 2 . . . A 103 VAL HG12 . 18508 1 1180 . 1 1 103 103 VAL HG13 H 1 0.843 0.005 . 2 . . . A 103 VAL HG13 . 18508 1 1181 . 1 1 103 103 VAL CA C 13 61.837 0.078 . 1 . . . A 103 VAL CA . 18508 1 1182 . 1 1 103 103 VAL CB C 13 33.191 0.044 . 1 . . . A 103 VAL CB . 18508 1 1183 . 1 1 103 103 VAL CG1 C 13 20.870 0.248 . 2 . . . A 103 VAL CG1 . 18508 1 1184 . 1 1 103 103 VAL N N 15 120.634 0.011 . 1 . . . A 103 VAL N . 18508 1 1185 . 1 1 104 104 PHE H H 1 8.343 0.002 . 1 . . . A 104 PHE H . 18508 1 1186 . 1 1 104 104 PHE HA H 1 4.727 0.006 . 1 . . . A 104 PHE HA . 18508 1 1187 . 1 1 104 104 PHE HB2 H 1 3.232 0.007 . 2 . . . A 104 PHE HB2 . 18508 1 1188 . 1 1 104 104 PHE HB3 H 1 2.898 0.006 . 2 . . . A 104 PHE HB3 . 18508 1 1189 . 1 1 104 104 PHE C C 13 174.547 0.010 . 1 . . . A 104 PHE C . 18508 1 1190 . 1 1 104 104 PHE CA C 13 57.194 0.067 . 1 . . . A 104 PHE CA . 18508 1 1191 . 1 1 104 104 PHE CB C 13 39.987 0.068 . 1 . . . A 104 PHE CB . 18508 1 1192 . 1 1 104 104 PHE N N 15 124.373 0.035 . 1 . . . A 104 PHE N . 18508 1 1193 . 1 1 105 105 ASP H H 1 7.949 0.003 . 1 . . . A 105 ASP H . 18508 1 1194 . 1 1 105 105 ASP HA H 1 4.388 0.005 . 1 . . . A 105 ASP HA . 18508 1 1195 . 1 1 105 105 ASP HB2 H 1 2.648 0.000 . 2 . . . A 105 ASP HB2 . 18508 1 1196 . 1 1 105 105 ASP HB3 H 1 2.571 0.001 . 2 . . . A 105 ASP HB3 . 18508 1 1197 . 1 1 105 105 ASP CA C 13 55.764 0.035 . 1 . . . A 105 ASP CA . 18508 1 1198 . 1 1 105 105 ASP CB C 13 42.308 0.013 . 1 . . . A 105 ASP CB . 18508 1 1199 . 1 1 105 105 ASP N N 15 127.110 0.014 . 1 . . . A 105 ASP N . 18508 1 stop_ save_