data_10253 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10253 _Entry.Title ; Solution structure of the PH domain of protein kinase C, D2 type from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-20 _Entry.Accession_date 2008-11-20 _Entry.Last_release_date 2009-11-20 _Entry.Original_release_date 2009-11-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 10253 2 K. Saito . . . 10253 3 S. Koshiba . . . 10253 4 M. Inoue . . . 10253 5 T. Kigawa . . . 10253 6 S. Yokoyama . . . 10253 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 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10253 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10253 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 498 10253 '15N chemical shifts' 120 10253 '1H chemical shifts' 802 10253 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-11-20 2008-11-20 original author . 10253 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2COA 'BMRB Entry Tracking System' 10253 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10253 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the PH domain of protein kinase C, D2 type from human' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 10253 1 2 K. Saito . . . 10253 1 3 S. Koshiba . . . 10253 1 4 M. Inoue . . . 10253 1 5 T. Kigawa . . . 10253 1 6 S. Yokoyama . . . 10253 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10253 _Assembly.ID 1 _Assembly.Name 'Protein kinase C, D2 type' _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 E.C.2.7.1.- _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 'PH domain' 1 $entity_1 . . yes native no no . . . 10253 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2COA . . . . . . 10253 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10253 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGTLREGWVVHYSNK DTLRKRHYWRLDCKCITLFQ NNTTNRYYKEIPLSEILTVE SAQNFSLVPPGTNPHCFEIV TANATYFVGEMPGGTPGGPS GQGAEAARGWETAIRQALMS GPSSG ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2COA . "Solution Structure Of The Ph Domain Of Protein Kinase C, D2 Type From Human" . . . . . 100.00 125 100.00 100.00 7.76e-87 . . . . 10253 1 2 no DBJ BAC11127 . "unnamed protein product [Homo sapiens]" . . . . . 92.00 721 99.13 99.13 3.45e-74 . . . . 10253 1 3 no DBJ BAC11508 . "unnamed protein product [Homo sapiens]" . . . . . 92.00 721 98.26 98.26 5.79e-73 . . . . 10253 1 4 no DBJ BAG53158 . "unnamed protein product [Homo sapiens]" . . . . . 92.00 721 99.13 99.13 3.45e-74 . . . . 10253 1 5 no DBJ BAG62084 . "unnamed protein product [Homo sapiens]" . . . . . 92.00 888 99.13 99.13 5.72e-73 . . . . 10253 1 6 no DBJ BAG64637 . "unnamed protein product [Homo sapiens]" . . . . . 92.00 497 99.13 99.13 5.31e-76 . . . . 10253 1 7 no EMBL CAB43292 . "hypothetical protein [Homo sapiens]" . . . . . 92.00 542 99.13 99.13 9.01e-76 . . . . 10253 1 8 no GB AAI56074 . "Protein kinase D2, partial [synthetic construct]" . . . . . 92.00 878 99.13 99.13 2.85e-73 . . . . 10253 1 9 no GB AAI56947 . "Protein kinase D2 [synthetic construct]" . . . . . 92.00 878 99.13 99.13 2.85e-73 . . . . 10253 1 10 no GB AAK01149 . "protein kinase D2 [Homo sapiens]" . . . . . 92.00 878 99.13 99.13 2.85e-73 . . . . 10253 1 11 no GB EAW57441 . "protein kinase D2 [Homo sapiens]" . . . . . 92.00 878 99.13 99.13 2.85e-73 . . . . 10253 1 12 no GB EHH59714 . "hypothetical protein EGM_09899 [Macaca fascicularis]" . . . . . 92.00 707 98.26 98.26 2.74e-73 . . . . 10253 1 13 no REF NP_001073349 . "serine/threonine-protein kinase D2 isoform A [Homo sapiens]" . . . . . 92.00 878 99.13 99.13 2.85e-73 . . . . 10253 1 14 no REF NP_001073350 . "serine/threonine-protein kinase D2 isoform A [Homo sapiens]" . . . . . 92.00 878 99.13 99.13 2.85e-73 . . . . 10253 1 15 no REF NP_001073351 . "serine/threonine-protein kinase D2 isoform B [Homo sapiens]" . . . . . 92.00 721 99.13 99.13 3.45e-74 . . . . 10253 1 16 no REF NP_057541 . "serine/threonine-protein kinase D2 isoform A [Homo sapiens]" . . . . . 92.00 878 99.13 99.13 2.85e-73 . . . . 10253 1 17 no REF XP_003915810 . "PREDICTED: serine/threonine-protein kinase D2 [Papio anubis]" . . . . . 92.00 878 97.39 98.26 1.36e-72 . . . . 10253 1 18 no SP Q9BZL6 . "RecName: Full=Serine/threonine-protein kinase D2; AltName: Full=nPKC-D2" . . . . . 92.00 878 99.13 99.13 2.91e-73 . . . . 10253 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain' . 10253 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 . 10253 1 2 . SER . 10253 1 3 . SER . 10253 1 4 . GLY . 10253 1 5 . SER . 10253 1 6 . SER . 10253 1 7 . GLY . 10253 1 8 . THR . 10253 1 9 . LEU . 10253 1 10 . ARG . 10253 1 11 . GLU . 10253 1 12 . GLY . 10253 1 13 . TRP . 10253 1 14 . VAL . 10253 1 15 . VAL . 10253 1 16 . HIS . 10253 1 17 . TYR . 10253 1 18 . SER . 10253 1 19 . ASN . 10253 1 20 . LYS . 10253 1 21 . ASP . 10253 1 22 . THR . 10253 1 23 . LEU . 10253 1 24 . ARG . 10253 1 25 . LYS . 10253 1 26 . ARG . 10253 1 27 . HIS . 10253 1 28 . TYR . 10253 1 29 . TRP . 10253 1 30 . ARG . 10253 1 31 . LEU . 10253 1 32 . ASP . 10253 1 33 . CYS . 10253 1 34 . LYS . 10253 1 35 . CYS . 10253 1 36 . ILE . 10253 1 37 . THR . 10253 1 38 . LEU . 10253 1 39 . PHE . 10253 1 40 . GLN . 10253 1 41 . ASN . 10253 1 42 . ASN . 10253 1 43 . THR . 10253 1 44 . THR . 10253 1 45 . ASN . 10253 1 46 . ARG . 10253 1 47 . TYR . 10253 1 48 . TYR . 10253 1 49 . LYS . 10253 1 50 . GLU . 10253 1 51 . ILE . 10253 1 52 . PRO . 10253 1 53 . LEU . 10253 1 54 . SER . 10253 1 55 . GLU . 10253 1 56 . ILE . 10253 1 57 . LEU . 10253 1 58 . THR . 10253 1 59 . VAL . 10253 1 60 . GLU . 10253 1 61 . SER . 10253 1 62 . ALA . 10253 1 63 . GLN . 10253 1 64 . ASN . 10253 1 65 . PHE . 10253 1 66 . SER . 10253 1 67 . LEU . 10253 1 68 . VAL . 10253 1 69 . PRO . 10253 1 70 . PRO . 10253 1 71 . GLY . 10253 1 72 . THR . 10253 1 73 . ASN . 10253 1 74 . PRO . 10253 1 75 . HIS . 10253 1 76 . CYS . 10253 1 77 . PHE . 10253 1 78 . GLU . 10253 1 79 . ILE . 10253 1 80 . VAL . 10253 1 81 . THR . 10253 1 82 . ALA . 10253 1 83 . ASN . 10253 1 84 . ALA . 10253 1 85 . THR . 10253 1 86 . TYR . 10253 1 87 . PHE . 10253 1 88 . VAL . 10253 1 89 . GLY . 10253 1 90 . GLU . 10253 1 91 . MET . 10253 1 92 . PRO . 10253 1 93 . GLY . 10253 1 94 . GLY . 10253 1 95 . THR . 10253 1 96 . PRO . 10253 1 97 . GLY . 10253 1 98 . GLY . 10253 1 99 . PRO . 10253 1 100 . SER . 10253 1 101 . GLY . 10253 1 102 . GLN . 10253 1 103 . GLY . 10253 1 104 . ALA . 10253 1 105 . GLU . 10253 1 106 . ALA . 10253 1 107 . ALA . 10253 1 108 . ARG . 10253 1 109 . GLY . 10253 1 110 . TRP . 10253 1 111 . GLU . 10253 1 112 . THR . 10253 1 113 . ALA . 10253 1 114 . ILE . 10253 1 115 . ARG . 10253 1 116 . GLN . 10253 1 117 . ALA . 10253 1 118 . LEU . 10253 1 119 . MET . 10253 1 120 . SER . 10253 1 121 . GLY . 10253 1 122 . PRO . 10253 1 123 . SER . 10253 1 124 . SER . 10253 1 125 . GLY . 10253 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 10253 1 . SER 2 2 10253 1 . SER 3 3 10253 1 . GLY 4 4 10253 1 . SER 5 5 10253 1 . SER 6 6 10253 1 . GLY 7 7 10253 1 . THR 8 8 10253 1 . LEU 9 9 10253 1 . ARG 10 10 10253 1 . GLU 11 11 10253 1 . GLY 12 12 10253 1 . TRP 13 13 10253 1 . VAL 14 14 10253 1 . VAL 15 15 10253 1 . HIS 16 16 10253 1 . TYR 17 17 10253 1 . SER 18 18 10253 1 . ASN 19 19 10253 1 . LYS 20 20 10253 1 . ASP 21 21 10253 1 . THR 22 22 10253 1 . LEU 23 23 10253 1 . ARG 24 24 10253 1 . LYS 25 25 10253 1 . ARG 26 26 10253 1 . HIS 27 27 10253 1 . TYR 28 28 10253 1 . TRP 29 29 10253 1 . ARG 30 30 10253 1 . LEU 31 31 10253 1 . ASP 32 32 10253 1 . CYS 33 33 10253 1 . LYS 34 34 10253 1 . CYS 35 35 10253 1 . ILE 36 36 10253 1 . THR 37 37 10253 1 . LEU 38 38 10253 1 . PHE 39 39 10253 1 . GLN 40 40 10253 1 . ASN 41 41 10253 1 . ASN 42 42 10253 1 . THR 43 43 10253 1 . THR 44 44 10253 1 . ASN 45 45 10253 1 . ARG 46 46 10253 1 . TYR 47 47 10253 1 . TYR 48 48 10253 1 . LYS 49 49 10253 1 . GLU 50 50 10253 1 . ILE 51 51 10253 1 . PRO 52 52 10253 1 . LEU 53 53 10253 1 . SER 54 54 10253 1 . GLU 55 55 10253 1 . ILE 56 56 10253 1 . LEU 57 57 10253 1 . THR 58 58 10253 1 . VAL 59 59 10253 1 . GLU 60 60 10253 1 . SER 61 61 10253 1 . ALA 62 62 10253 1 . GLN 63 63 10253 1 . ASN 64 64 10253 1 . PHE 65 65 10253 1 . SER 66 66 10253 1 . LEU 67 67 10253 1 . VAL 68 68 10253 1 . PRO 69 69 10253 1 . PRO 70 70 10253 1 . GLY 71 71 10253 1 . THR 72 72 10253 1 . ASN 73 73 10253 1 . PRO 74 74 10253 1 . HIS 75 75 10253 1 . CYS 76 76 10253 1 . PHE 77 77 10253 1 . GLU 78 78 10253 1 . ILE 79 79 10253 1 . VAL 80 80 10253 1 . THR 81 81 10253 1 . ALA 82 82 10253 1 . ASN 83 83 10253 1 . ALA 84 84 10253 1 . THR 85 85 10253 1 . TYR 86 86 10253 1 . PHE 87 87 10253 1 . VAL 88 88 10253 1 . GLY 89 89 10253 1 . GLU 90 90 10253 1 . MET 91 91 10253 1 . PRO 92 92 10253 1 . GLY 93 93 10253 1 . GLY 94 94 10253 1 . THR 95 95 10253 1 . PRO 96 96 10253 1 . GLY 97 97 10253 1 . GLY 98 98 10253 1 . PRO 99 99 10253 1 . SER 100 100 10253 1 . GLY 101 101 10253 1 . GLN 102 102 10253 1 . GLY 103 103 10253 1 . ALA 104 104 10253 1 . GLU 105 105 10253 1 . ALA 106 106 10253 1 . ALA 107 107 10253 1 . ARG 108 108 10253 1 . GLY 109 109 10253 1 . TRP 110 110 10253 1 . GLU 111 111 10253 1 . THR 112 112 10253 1 . ALA 113 113 10253 1 . ILE 114 114 10253 1 . ARG 115 115 10253 1 . GLN 116 116 10253 1 . ALA 117 117 10253 1 . LEU 118 118 10253 1 . MET 119 119 10253 1 . SER 120 120 10253 1 . GLY 121 121 10253 1 . PRO 122 122 10253 1 . SER 123 123 10253 1 . SER 124 124 10253 1 . GLY 125 125 10253 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 10253 _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_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10253 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 10253 _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_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P041129-04 . . . . . . 10253 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10253 _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 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.38 . . mM . . . . 10253 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10253 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10253 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10253 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10253 1 6 H2O . . . . . . solvent 90 . . % . . . . 10253 1 7 D2O . . . . . . solvent 10 . . % . . . . 10253 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10253 _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' 120 0.1 mM 10253 1 pH 7.0 0.05 pH 10253 1 pressure 1 0.001 atm 10253 1 temperature 298 0.1 K 10253 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10253 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10253 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10253 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10253 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 10253 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10253 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10253 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10253 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10253 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10253 _Software.ID 4 _Software.Name Kujira _Software.Version 0.913 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10253 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10253 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10253 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10253 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10253 5 'structure solution' 10253 5 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 10253 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10253 _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 . . . 10253 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 10253 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10253 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10253 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10253 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10253 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10253 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10253 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10253 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 13C-separated NOESY' 1 $sample_1 isotropic 10253 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10253 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 6 6 SER H H 1 8.337 0.030 . 1 . . . . 6 SER H . 10253 1 2 . 1 1 6 6 SER HA H 1 4.597 0.030 . 1 . . . . 6 SER HA . 10253 1 3 . 1 1 6 6 SER HB2 H 1 3.936 0.030 . 1 . . . . 6 SER HB2 . 10253 1 4 . 1 1 6 6 SER HB3 H 1 3.936 0.030 . 1 . . . . 6 SER HB3 . 10253 1 5 . 1 1 6 6 SER C C 13 174.637 0.300 . 1 . . . . 6 SER C . 10253 1 6 . 1 1 6 6 SER CA C 13 58.469 0.300 . 1 . . . . 6 SER CA . 10253 1 7 . 1 1 6 6 SER CB C 13 64.221 0.300 . 1 . . . . 6 SER CB . 10253 1 8 . 1 1 6 6 SER N N 15 117.887 0.300 . 1 . . . . 6 SER N . 10253 1 9 . 1 1 7 7 GLY H H 1 8.280 0.030 . 1 . . . . 7 GLY H . 10253 1 10 . 1 1 7 7 GLY HA2 H 1 4.063 0.030 . 1 . . . . 7 GLY HA2 . 10253 1 11 . 1 1 7 7 GLY HA3 H 1 4.063 0.030 . 1 . . . . 7 GLY HA3 . 10253 1 12 . 1 1 7 7 GLY C C 13 173.724 0.300 . 1 . . . . 7 GLY C . 10253 1 13 . 1 1 7 7 GLY CA C 13 44.941 0.300 . 1 . . . . 7 GLY CA . 10253 1 14 . 1 1 7 7 GLY N N 15 110.151 0.300 . 1 . . . . 7 GLY N . 10253 1 15 . 1 1 8 8 THR H H 1 8.212 0.030 . 1 . . . . 8 THR H . 10253 1 16 . 1 1 8 8 THR HA H 1 4.173 0.030 . 1 . . . . 8 THR HA . 10253 1 17 . 1 1 8 8 THR HB H 1 4.100 0.030 . 1 . . . . 8 THR HB . 10253 1 18 . 1 1 8 8 THR HG21 H 1 1.252 0.030 . 1 . . . . 8 THR HG2 . 10253 1 19 . 1 1 8 8 THR HG22 H 1 1.252 0.030 . 1 . . . . 8 THR HG2 . 10253 1 20 . 1 1 8 8 THR HG23 H 1 1.252 0.030 . 1 . . . . 8 THR HG2 . 10253 1 21 . 1 1 8 8 THR C C 13 174.723 0.300 . 1 . . . . 8 THR C . 10253 1 22 . 1 1 8 8 THR CA C 13 63.622 0.300 . 1 . . . . 8 THR CA . 10253 1 23 . 1 1 8 8 THR CB C 13 69.460 0.300 . 1 . . . . 8 THR CB . 10253 1 24 . 1 1 8 8 THR CG2 C 13 23.353 0.300 . 1 . . . . 8 THR CG2 . 10253 1 25 . 1 1 8 8 THR N N 15 116.817 0.300 . 1 . . . . 8 THR N . 10253 1 26 . 1 1 9 9 LEU H H 1 9.374 0.030 . 1 . . . . 9 LEU H . 10253 1 27 . 1 1 9 9 LEU HA H 1 4.302 0.030 . 1 . . . . 9 LEU HA . 10253 1 28 . 1 1 9 9 LEU HB2 H 1 1.392 0.030 . 2 . . . . 9 LEU HB2 . 10253 1 29 . 1 1 9 9 LEU HB3 H 1 1.443 0.030 . 2 . . . . 9 LEU HB3 . 10253 1 30 . 1 1 9 9 LEU HD11 H 1 0.783 0.030 . 1 . . . . 9 LEU HD1 . 10253 1 31 . 1 1 9 9 LEU HD12 H 1 0.783 0.030 . 1 . . . . 9 LEU HD1 . 10253 1 32 . 1 1 9 9 LEU HD13 H 1 0.783 0.030 . 1 . . . . 9 LEU HD1 . 10253 1 33 . 1 1 9 9 LEU HD21 H 1 0.822 0.030 . 1 . . . . 9 LEU HD2 . 10253 1 34 . 1 1 9 9 LEU HD22 H 1 0.822 0.030 . 1 . . . . 9 LEU HD2 . 10253 1 35 . 1 1 9 9 LEU HD23 H 1 0.822 0.030 . 1 . . . . 9 LEU HD2 . 10253 1 36 . 1 1 9 9 LEU HG H 1 1.713 0.030 . 1 . . . . 9 LEU HG . 10253 1 37 . 1 1 9 9 LEU C C 13 177.468 0.300 . 1 . . . . 9 LEU C . 10253 1 38 . 1 1 9 9 LEU CA C 13 55.936 0.300 . 1 . . . . 9 LEU CA . 10253 1 39 . 1 1 9 9 LEU CB C 13 42.843 0.300 . 1 . . . . 9 LEU CB . 10253 1 40 . 1 1 9 9 LEU CD1 C 13 24.773 0.300 . 2 . . . . 9 LEU CD1 . 10253 1 41 . 1 1 9 9 LEU CD2 C 13 22.443 0.300 . 2 . . . . 9 LEU CD2 . 10253 1 42 . 1 1 9 9 LEU CG C 13 27.623 0.300 . 1 . . . . 9 LEU CG . 10253 1 43 . 1 1 9 9 LEU N N 15 127.798 0.300 . 1 . . . . 9 LEU N . 10253 1 44 . 1 1 10 10 ARG H H 1 7.512 0.030 . 1 . . . . 10 ARG H . 10253 1 45 . 1 1 10 10 ARG HA H 1 4.199 0.030 . 1 . . . . 10 ARG HA . 10253 1 46 . 1 1 10 10 ARG HB2 H 1 1.263 0.030 . 2 . . . . 10 ARG HB2 . 10253 1 47 . 1 1 10 10 ARG HB3 H 1 0.694 0.030 . 2 . . . . 10 ARG HB3 . 10253 1 48 . 1 1 10 10 ARG HD2 H 1 2.253 0.030 . 2 . . . . 10 ARG HD2 . 10253 1 49 . 1 1 10 10 ARG HD3 H 1 1.093 0.030 . 2 . . . . 10 ARG HD3 . 10253 1 50 . 1 1 10 10 ARG HG2 H 1 0.184 0.030 . 2 . . . . 10 ARG HG2 . 10253 1 51 . 1 1 10 10 ARG HG3 H 1 1.052 0.030 . 2 . . . . 10 ARG HG3 . 10253 1 52 . 1 1 10 10 ARG C C 13 172.501 0.300 . 1 . . . . 10 ARG C . 10253 1 53 . 1 1 10 10 ARG CA C 13 56.165 0.300 . 1 . . . . 10 ARG CA . 10253 1 54 . 1 1 10 10 ARG CB C 13 32.442 0.300 . 1 . . . . 10 ARG CB . 10253 1 55 . 1 1 10 10 ARG CD C 13 43.492 0.300 . 1 . . . . 10 ARG CD . 10253 1 56 . 1 1 10 10 ARG CG C 13 28.116 0.300 . 1 . . . . 10 ARG CG . 10253 1 57 . 1 1 10 10 ARG N N 15 117.979 0.300 . 1 . . . . 10 ARG N . 10253 1 58 . 1 1 11 11 GLU H H 1 8.434 0.030 . 1 . . . . 11 GLU H . 10253 1 59 . 1 1 11 11 GLU HA H 1 5.993 0.030 . 1 . . . . 11 GLU HA . 10253 1 60 . 1 1 11 11 GLU HB2 H 1 2.253 0.030 . 2 . . . . 11 GLU HB2 . 10253 1 61 . 1 1 11 11 GLU HB3 H 1 2.183 0.030 . 2 . . . . 11 GLU HB3 . 10253 1 62 . 1 1 11 11 GLU HG2 H 1 2.220 0.030 . 1 . . . . 11 GLU HG2 . 10253 1 63 . 1 1 11 11 GLU HG3 H 1 2.220 0.030 . 1 . . . . 11 GLU HG3 . 10253 1 64 . 1 1 11 11 GLU C C 13 174.800 0.300 . 1 . . . . 11 GLU C . 10253 1 65 . 1 1 11 11 GLU CA C 13 54.570 0.300 . 1 . . . . 11 GLU CA . 10253 1 66 . 1 1 11 11 GLU CB C 13 34.245 0.300 . 1 . . . . 11 GLU CB . 10253 1 67 . 1 1 11 11 GLU CG C 13 35.149 0.300 . 1 . . . . 11 GLU CG . 10253 1 68 . 1 1 11 11 GLU N N 15 120.782 0.300 . 1 . . . . 11 GLU N . 10253 1 69 . 1 1 12 12 GLY H H 1 8.131 0.030 . 1 . . . . 12 GLY H . 10253 1 70 . 1 1 12 12 GLY HA2 H 1 4.714 0.030 . 2 . . . . 12 GLY HA2 . 10253 1 71 . 1 1 12 12 GLY HA3 H 1 3.763 0.030 . 2 . . . . 12 GLY HA3 . 10253 1 72 . 1 1 12 12 GLY C C 13 171.060 0.300 . 1 . . . . 12 GLY C . 10253 1 73 . 1 1 12 12 GLY CA C 13 45.241 0.300 . 1 . . . . 12 GLY CA . 10253 1 74 . 1 1 12 12 GLY N N 15 107.457 0.300 . 1 . . . . 12 GLY N . 10253 1 75 . 1 1 13 13 TRP H H 1 8.783 0.030 . 1 . . . . 13 TRP H . 10253 1 76 . 1 1 13 13 TRP HA H 1 5.152 0.030 . 1 . . . . 13 TRP HA . 10253 1 77 . 1 1 13 13 TRP HB2 H 1 3.235 0.030 . 2 . . . . 13 TRP HB2 . 10253 1 78 . 1 1 13 13 TRP HB3 H 1 3.055 0.030 . 2 . . . . 13 TRP HB3 . 10253 1 79 . 1 1 13 13 TRP HD1 H 1 7.636 0.030 . 1 . . . . 13 TRP HD1 . 10253 1 80 . 1 1 13 13 TRP HE1 H 1 10.443 0.030 . 1 . . . . 13 TRP HE1 . 10253 1 81 . 1 1 13 13 TRP HE3 H 1 7.464 0.030 . 1 . . . . 13 TRP HE3 . 10253 1 82 . 1 1 13 13 TRP HH2 H 1 7.403 0.030 . 1 . . . . 13 TRP HH2 . 10253 1 83 . 1 1 13 13 TRP HZ2 H 1 7.576 0.030 . 1 . . . . 13 TRP HZ2 . 10253 1 84 . 1 1 13 13 TRP HZ3 H 1 7.145 0.030 . 1 . . . . 13 TRP HZ3 . 10253 1 85 . 1 1 13 13 TRP C C 13 177.528 0.300 . 1 . . . . 13 TRP C . 10253 1 86 . 1 1 13 13 TRP CA C 13 57.783 0.300 . 1 . . . . 13 TRP CA . 10253 1 87 . 1 1 13 13 TRP CB C 13 30.222 0.300 . 1 . . . . 13 TRP CB . 10253 1 88 . 1 1 13 13 TRP CD1 C 13 128.243 0.300 . 1 . . . . 13 TRP CD1 . 10253 1 89 . 1 1 13 13 TRP CE3 C 13 120.630 0.300 . 1 . . . . 13 TRP CE3 . 10253 1 90 . 1 1 13 13 TRP CH2 C 13 124.309 0.300 . 1 . . . . 13 TRP CH2 . 10253 1 91 . 1 1 13 13 TRP CZ2 C 13 114.409 0.300 . 1 . . . . 13 TRP CZ2 . 10253 1 92 . 1 1 13 13 TRP CZ3 C 13 121.986 0.300 . 1 . . . . 13 TRP CZ3 . 10253 1 93 . 1 1 13 13 TRP N N 15 120.792 0.300 . 1 . . . . 13 TRP N . 10253 1 94 . 1 1 13 13 TRP NE1 N 15 129.971 0.300 . 1 . . . . 13 TRP NE1 . 10253 1 95 . 1 1 14 14 VAL H H 1 9.179 0.030 . 1 . . . . 14 VAL H . 10253 1 96 . 1 1 14 14 VAL HA H 1 4.072 0.030 . 1 . . . . 14 VAL HA . 10253 1 97 . 1 1 14 14 VAL HB H 1 -0.619 0.030 . 1 . . . . 14 VAL HB . 10253 1 98 . 1 1 14 14 VAL HG11 H 1 -0.667 0.030 . 1 . . . . 14 VAL HG1 . 10253 1 99 . 1 1 14 14 VAL HG12 H 1 -0.667 0.030 . 1 . . . . 14 VAL HG1 . 10253 1 100 . 1 1 14 14 VAL HG13 H 1 -0.667 0.030 . 1 . . . . 14 VAL HG1 . 10253 1 101 . 1 1 14 14 VAL HG21 H 1 -0.756 0.030 . 1 . . . . 14 VAL HG2 . 10253 1 102 . 1 1 14 14 VAL HG22 H 1 -0.756 0.030 . 1 . . . . 14 VAL HG2 . 10253 1 103 . 1 1 14 14 VAL HG23 H 1 -0.756 0.030 . 1 . . . . 14 VAL HG2 . 10253 1 104 . 1 1 14 14 VAL C C 13 174.981 0.300 . 1 . . . . 14 VAL C . 10253 1 105 . 1 1 14 14 VAL CA C 13 61.741 0.300 . 1 . . . . 14 VAL CA . 10253 1 106 . 1 1 14 14 VAL CB C 13 35.143 0.300 . 1 . . . . 14 VAL CB . 10253 1 107 . 1 1 14 14 VAL CG1 C 13 21.943 0.300 . 2 . . . . 14 VAL CG1 . 10253 1 108 . 1 1 14 14 VAL CG2 C 13 20.763 0.300 . 2 . . . . 14 VAL CG2 . 10253 1 109 . 1 1 14 14 VAL N N 15 125.476 0.300 . 1 . . . . 14 VAL N . 10253 1 110 . 1 1 15 15 VAL H H 1 8.403 0.030 . 1 . . . . 15 VAL H . 10253 1 111 . 1 1 15 15 VAL HA H 1 5.532 0.030 . 1 . . . . 15 VAL HA . 10253 1 112 . 1 1 15 15 VAL HB H 1 1.870 0.030 . 1 . . . . 15 VAL HB . 10253 1 113 . 1 1 15 15 VAL HG11 H 1 0.987 0.030 . 1 . . . . 15 VAL HG1 . 10253 1 114 . 1 1 15 15 VAL HG12 H 1 0.987 0.030 . 1 . . . . 15 VAL HG1 . 10253 1 115 . 1 1 15 15 VAL HG13 H 1 0.987 0.030 . 1 . . . . 15 VAL HG1 . 10253 1 116 . 1 1 15 15 VAL HG21 H 1 0.959 0.030 . 1 . . . . 15 VAL HG2 . 10253 1 117 . 1 1 15 15 VAL HG22 H 1 0.959 0.030 . 1 . . . . 15 VAL HG2 . 10253 1 118 . 1 1 15 15 VAL HG23 H 1 0.959 0.030 . 1 . . . . 15 VAL HG2 . 10253 1 119 . 1 1 15 15 VAL C C 13 175.078 0.300 . 1 . . . . 15 VAL C . 10253 1 120 . 1 1 15 15 VAL CA C 13 59.489 0.300 . 1 . . . . 15 VAL CA . 10253 1 121 . 1 1 15 15 VAL CB C 13 34.210 0.300 . 1 . . . . 15 VAL CB . 10253 1 122 . 1 1 15 15 VAL CG1 C 13 21.233 0.300 . 2 . . . . 15 VAL CG1 . 10253 1 123 . 1 1 15 15 VAL CG2 C 13 20.880 0.300 . 2 . . . . 15 VAL CG2 . 10253 1 124 . 1 1 15 15 VAL N N 15 126.189 0.300 . 1 . . . . 15 VAL N . 10253 1 125 . 1 1 16 16 HIS H H 1 9.122 0.030 . 1 . . . . 16 HIS H . 10253 1 126 . 1 1 16 16 HIS HA H 1 5.823 0.030 . 1 . . . . 16 HIS HA . 10253 1 127 . 1 1 16 16 HIS HB2 H 1 3.113 0.030 . 2 . . . . 16 HIS HB2 . 10253 1 128 . 1 1 16 16 HIS HB3 H 1 3.303 0.030 . 2 . . . . 16 HIS HB3 . 10253 1 129 . 1 1 16 16 HIS HD2 H 1 6.680 0.030 . 1 . . . . 16 HIS HD2 . 10253 1 130 . 1 1 16 16 HIS HE1 H 1 7.202 0.030 . 1 . . . . 16 HIS HE1 . 10253 1 131 . 1 1 16 16 HIS C C 13 172.998 0.300 . 1 . . . . 16 HIS C . 10253 1 132 . 1 1 16 16 HIS CA C 13 56.253 0.300 . 1 . . . . 16 HIS CA . 10253 1 133 . 1 1 16 16 HIS CB C 13 34.273 0.300 . 1 . . . . 16 HIS CB . 10253 1 134 . 1 1 16 16 HIS CD2 C 13 118.359 0.300 . 1 . . . . 16 HIS CD2 . 10253 1 135 . 1 1 16 16 HIS CE1 C 13 136.681 0.300 . 1 . . . . 16 HIS CE1 . 10253 1 136 . 1 1 16 16 HIS N N 15 121.152 0.300 . 1 . . . . 16 HIS N . 10253 1 137 . 1 1 17 17 TYR H H 1 8.465 0.030 . 1 . . . . 17 TYR H . 10253 1 138 . 1 1 17 17 TYR HA H 1 5.096 0.030 . 1 . . . . 17 TYR HA . 10253 1 139 . 1 1 17 17 TYR HB2 H 1 3.382 0.030 . 2 . . . . 17 TYR HB2 . 10253 1 140 . 1 1 17 17 TYR HB3 H 1 2.502 0.030 . 2 . . . . 17 TYR HB3 . 10253 1 141 . 1 1 17 17 TYR HD1 H 1 6.912 0.030 . 1 . . . . 17 TYR HD1 . 10253 1 142 . 1 1 17 17 TYR HD2 H 1 6.912 0.030 . 1 . . . . 17 TYR HD2 . 10253 1 143 . 1 1 17 17 TYR HE1 H 1 6.055 0.030 . 1 . . . . 17 TYR HE1 . 10253 1 144 . 1 1 17 17 TYR HE2 H 1 6.055 0.030 . 1 . . . . 17 TYR HE2 . 10253 1 145 . 1 1 17 17 TYR C C 13 173.640 0.300 . 1 . . . . 17 TYR C . 10253 1 146 . 1 1 17 17 TYR CA C 13 56.903 0.300 . 1 . . . . 17 TYR CA . 10253 1 147 . 1 1 17 17 TYR CB C 13 40.103 0.300 . 1 . . . . 17 TYR CB . 10253 1 148 . 1 1 17 17 TYR CD1 C 13 133.480 0.300 . 1 . . . . 17 TYR CD1 . 10253 1 149 . 1 1 17 17 TYR CD2 C 13 133.480 0.300 . 1 . . . . 17 TYR CD2 . 10253 1 150 . 1 1 17 17 TYR CE1 C 13 118.236 0.300 . 1 . . . . 17 TYR CE1 . 10253 1 151 . 1 1 17 17 TYR CE2 C 13 118.236 0.300 . 1 . . . . 17 TYR CE2 . 10253 1 152 . 1 1 17 17 TYR N N 15 115.558 0.300 . 1 . . . . 17 TYR N . 10253 1 153 . 1 1 18 18 SER H H 1 9.122 0.030 . 1 . . . . 18 SER H . 10253 1 154 . 1 1 18 18 SER HA H 1 6.144 0.030 . 1 . . . . 18 SER HA . 10253 1 155 . 1 1 18 18 SER HB2 H 1 4.089 0.030 . 2 . . . . 18 SER HB2 . 10253 1 156 . 1 1 18 18 SER HB3 H 1 3.913 0.030 . 2 . . . . 18 SER HB3 . 10253 1 157 . 1 1 18 18 SER C C 13 173.204 0.300 . 1 . . . . 18 SER C . 10253 1 158 . 1 1 18 18 SER CA C 13 56.640 0.300 . 1 . . . . 18 SER CA . 10253 1 159 . 1 1 18 18 SER CB C 13 68.788 0.300 . 1 . . . . 18 SER CB . 10253 1 160 . 1 1 18 18 SER N N 15 118.846 0.300 . 1 . . . . 18 SER N . 10253 1 161 . 1 1 19 19 ASN H H 1 9.053 0.030 . 1 . . . . 19 ASN H . 10253 1 162 . 1 1 19 19 ASN HA H 1 4.473 0.030 . 1 . . . . 19 ASN HA . 10253 1 163 . 1 1 19 19 ASN HB2 H 1 3.133 0.030 . 2 . . . . 19 ASN HB2 . 10253 1 164 . 1 1 19 19 ASN HB3 H 1 2.741 0.030 . 2 . . . . 19 ASN HB3 . 10253 1 165 . 1 1 19 19 ASN HD21 H 1 7.804 0.030 . 2 . . . . 19 ASN HD21 . 10253 1 166 . 1 1 19 19 ASN HD22 H 1 7.332 0.030 . 2 . . . . 19 ASN HD22 . 10253 1 167 . 1 1 19 19 ASN C C 13 175.396 0.300 . 1 . . . . 19 ASN C . 10253 1 168 . 1 1 19 19 ASN CA C 13 55.373 0.300 . 1 . . . . 19 ASN CA . 10253 1 169 . 1 1 19 19 ASN CB C 13 36.900 0.300 . 1 . . . . 19 ASN CB . 10253 1 170 . 1 1 19 19 ASN N N 15 113.712 0.300 . 1 . . . . 19 ASN N . 10253 1 171 . 1 1 19 19 ASN ND2 N 15 115.382 0.300 . 1 . . . . 19 ASN ND2 . 10253 1 172 . 1 1 20 20 LYS H H 1 7.677 0.030 . 1 . . . . 20 LYS H . 10253 1 173 . 1 1 20 20 LYS HA H 1 4.413 0.030 . 1 . . . . 20 LYS HA . 10253 1 174 . 1 1 20 20 LYS HB2 H 1 1.983 0.030 . 2 . . . . 20 LYS HB2 . 10253 1 175 . 1 1 20 20 LYS HB3 H 1 1.632 0.030 . 2 . . . . 20 LYS HB3 . 10253 1 176 . 1 1 20 20 LYS HD2 H 1 1.673 0.030 . 1 . . . . 20 LYS HD2 . 10253 1 177 . 1 1 20 20 LYS HD3 H 1 1.673 0.030 . 1 . . . . 20 LYS HD3 . 10253 1 178 . 1 1 20 20 LYS HE2 H 1 3.052 0.030 . 1 . . . . 20 LYS HE2 . 10253 1 179 . 1 1 20 20 LYS HE3 H 1 3.052 0.030 . 1 . . . . 20 LYS HE3 . 10253 1 180 . 1 1 20 20 LYS HG2 H 1 1.415 0.030 . 2 . . . . 20 LYS HG2 . 10253 1 181 . 1 1 20 20 LYS HG3 H 1 1.552 0.030 . 2 . . . . 20 LYS HG3 . 10253 1 182 . 1 1 20 20 LYS C C 13 176.078 0.300 . 1 . . . . 20 LYS C . 10253 1 183 . 1 1 20 20 LYS CA C 13 55.679 0.300 . 1 . . . . 20 LYS CA . 10253 1 184 . 1 1 20 20 LYS CB C 13 33.023 0.300 . 1 . . . . 20 LYS CB . 10253 1 185 . 1 1 20 20 LYS CD C 13 28.303 0.300 . 1 . . . . 20 LYS CD . 10253 1 186 . 1 1 20 20 LYS CE C 13 42.223 0.300 . 1 . . . . 20 LYS CE . 10253 1 187 . 1 1 20 20 LYS CG C 13 24.622 0.300 . 1 . . . . 20 LYS CG . 10253 1 188 . 1 1 20 20 LYS N N 15 117.213 0.300 . 1 . . . . 20 LYS N . 10253 1 189 . 1 1 21 21 ASP H H 1 7.395 0.030 . 1 . . . . 21 ASP H . 10253 1 190 . 1 1 21 21 ASP HA H 1 4.808 0.030 . 1 . . . . 21 ASP HA . 10253 1 191 . 1 1 21 21 ASP HB2 H 1 2.834 0.030 . 2 . . . . 21 ASP HB2 . 10253 1 192 . 1 1 21 21 ASP HB3 H 1 2.695 0.030 . 2 . . . . 21 ASP HB3 . 10253 1 193 . 1 1 21 21 ASP C C 13 176.413 0.300 . 1 . . . . 21 ASP C . 10253 1 194 . 1 1 21 21 ASP CA C 13 53.983 0.300 . 1 . . . . 21 ASP CA . 10253 1 195 . 1 1 21 21 ASP CB C 13 41.199 0.300 . 1 . . . . 21 ASP CB . 10253 1 196 . 1 1 21 21 ASP N N 15 119.879 0.300 . 1 . . . . 21 ASP N . 10253 1 197 . 1 1 22 22 THR H H 1 8.593 0.030 . 1 . . . . 22 THR H . 10253 1 198 . 1 1 22 22 THR HA H 1 4.352 0.030 . 1 . . . . 22 THR HA . 10253 1 199 . 1 1 22 22 THR HB H 1 4.203 0.030 . 1 . . . . 22 THR HB . 10253 1 200 . 1 1 22 22 THR HG21 H 1 1.222 0.030 . 1 . . . . 22 THR HG2 . 10253 1 201 . 1 1 22 22 THR HG22 H 1 1.222 0.030 . 1 . . . . 22 THR HG2 . 10253 1 202 . 1 1 22 22 THR HG23 H 1 1.222 0.030 . 1 . . . . 22 THR HG2 . 10253 1 203 . 1 1 22 22 THR C C 13 172.913 0.300 . 1 . . . . 22 THR C . 10253 1 204 . 1 1 22 22 THR CA C 13 62.691 0.300 . 1 . . . . 22 THR CA . 10253 1 205 . 1 1 22 22 THR CB C 13 68.332 0.300 . 1 . . . . 22 THR CB . 10253 1 206 . 1 1 22 22 THR CG2 C 13 22.031 0.300 . 1 . . . . 22 THR CG2 . 10253 1 207 . 1 1 22 22 THR N N 15 116.299 0.300 . 1 . . . . 22 THR N . 10253 1 208 . 1 1 23 23 LEU H H 1 7.645 0.030 . 1 . . . . 23 LEU H . 10253 1 209 . 1 1 23 23 LEU HA H 1 4.318 0.030 . 1 . . . . 23 LEU HA . 10253 1 210 . 1 1 23 23 LEU HB2 H 1 1.663 0.030 . 2 . . . . 23 LEU HB2 . 10253 1 211 . 1 1 23 23 LEU HB3 H 1 1.563 0.030 . 2 . . . . 23 LEU HB3 . 10253 1 212 . 1 1 23 23 LEU HD11 H 1 0.955 0.030 . 1 . . . . 23 LEU HD1 . 10253 1 213 . 1 1 23 23 LEU HD12 H 1 0.955 0.030 . 1 . . . . 23 LEU HD1 . 10253 1 214 . 1 1 23 23 LEU HD13 H 1 0.955 0.030 . 1 . . . . 23 LEU HD1 . 10253 1 215 . 1 1 23 23 LEU HD21 H 1 0.894 0.030 . 1 . . . . 23 LEU HD2 . 10253 1 216 . 1 1 23 23 LEU HD22 H 1 0.894 0.030 . 1 . . . . 23 LEU HD2 . 10253 1 217 . 1 1 23 23 LEU HD23 H 1 0.894 0.030 . 1 . . . . 23 LEU HD2 . 10253 1 218 . 1 1 23 23 LEU HG H 1 1.535 0.030 . 1 . . . . 23 LEU HG . 10253 1 219 . 1 1 23 23 LEU C C 13 176.692 0.300 . 1 . . . . 23 LEU C . 10253 1 220 . 1 1 23 23 LEU CA C 13 54.617 0.300 . 1 . . . . 23 LEU CA . 10253 1 221 . 1 1 23 23 LEU CB C 13 41.939 0.300 . 1 . . . . 23 LEU CB . 10253 1 222 . 1 1 23 23 LEU CD1 C 13 24.227 0.300 . 2 . . . . 23 LEU CD1 . 10253 1 223 . 1 1 23 23 LEU CD2 C 13 25.003 0.300 . 2 . . . . 23 LEU CD2 . 10253 1 224 . 1 1 23 23 LEU CG C 13 26.880 0.300 . 1 . . . . 23 LEU CG . 10253 1 225 . 1 1 23 23 LEU N N 15 123.606 0.300 . 1 . . . . 23 LEU N . 10253 1 226 . 1 1 24 24 ARG H H 1 8.563 0.030 . 1 . . . . 24 ARG H . 10253 1 227 . 1 1 24 24 ARG HA H 1 4.373 0.030 . 1 . . . . 24 ARG HA . 10253 1 228 . 1 1 24 24 ARG HB2 H 1 1.753 0.030 . 2 . . . . 24 ARG HB2 . 10253 1 229 . 1 1 24 24 ARG HB3 H 1 1.575 0.030 . 2 . . . . 24 ARG HB3 . 10253 1 230 . 1 1 24 24 ARG HD2 H 1 2.992 0.030 . 2 . . . . 24 ARG HD2 . 10253 1 231 . 1 1 24 24 ARG HD3 H 1 3.401 0.030 . 2 . . . . 24 ARG HD3 . 10253 1 232 . 1 1 24 24 ARG HE H 1 7.604 0.030 . 1 . . . . 24 ARG HE . 10253 1 233 . 1 1 24 24 ARG HG2 H 1 1.493 0.030 . 2 . . . . 24 ARG HG2 . 10253 1 234 . 1 1 24 24 ARG HG3 H 1 1.865 0.030 . 2 . . . . 24 ARG HG3 . 10253 1 235 . 1 1 24 24 ARG C C 13 176.584 0.300 . 1 . . . . 24 ARG C . 10253 1 236 . 1 1 24 24 ARG CA C 13 57.854 0.300 . 1 . . . . 24 ARG CA . 10253 1 237 . 1 1 24 24 ARG CB C 13 31.126 0.300 . 1 . . . . 24 ARG CB . 10253 1 238 . 1 1 24 24 ARG CD C 13 43.903 0.300 . 1 . . . . 24 ARG CD . 10253 1 239 . 1 1 24 24 ARG CG C 13 31.843 0.300 . 1 . . . . 24 ARG CG . 10253 1 240 . 1 1 24 24 ARG N N 15 127.152 0.300 . 1 . . . . 24 ARG N . 10253 1 241 . 1 1 24 24 ARG NE N 15 86.132 0.300 . 1 . . . . 24 ARG NE . 10253 1 242 . 1 1 25 25 LYS H H 1 8.633 0.030 . 1 . . . . 25 LYS H . 10253 1 243 . 1 1 25 25 LYS HA H 1 4.513 0.030 . 1 . . . . 25 LYS HA . 10253 1 244 . 1 1 25 25 LYS HB2 H 1 1.398 0.030 . 1 . . . . 25 LYS HB2 . 10253 1 245 . 1 1 25 25 LYS HB3 H 1 1.398 0.030 . 1 . . . . 25 LYS HB3 . 10253 1 246 . 1 1 25 25 LYS HD2 H 1 1.586 0.030 . 2 . . . . 25 LYS HD2 . 10253 1 247 . 1 1 25 25 LYS HD3 H 1 1.712 0.030 . 2 . . . . 25 LYS HD3 . 10253 1 248 . 1 1 25 25 LYS HE2 H 1 3.031 0.030 . 2 . . . . 25 LYS HE2 . 10253 1 249 . 1 1 25 25 LYS HG2 H 1 1.444 0.030 . 2 . . . . 25 LYS HG2 . 10253 1 250 . 1 1 25 25 LYS HG3 H 1 1.352 0.030 . 2 . . . . 25 LYS HG3 . 10253 1 251 . 1 1 25 25 LYS C C 13 173.567 0.300 . 1 . . . . 25 LYS C . 10253 1 252 . 1 1 25 25 LYS CA C 13 54.792 0.300 . 1 . . . . 25 LYS CA . 10253 1 253 . 1 1 25 25 LYS CB C 13 37.416 0.300 . 1 . . . . 25 LYS CB . 10253 1 254 . 1 1 25 25 LYS CD C 13 29.253 0.300 . 1 . . . . 25 LYS CD . 10253 1 255 . 1 1 25 25 LYS CE C 13 42.341 0.300 . 1 . . . . 25 LYS CE . 10253 1 256 . 1 1 25 25 LYS CG C 13 24.536 0.300 . 1 . . . . 25 LYS CG . 10253 1 257 . 1 1 25 25 LYS N N 15 122.682 0.300 . 1 . . . . 25 LYS N . 10253 1 258 . 1 1 26 26 ARG H H 1 8.303 0.030 . 1 . . . . 26 ARG H . 10253 1 259 . 1 1 26 26 ARG HA H 1 5.153 0.030 . 1 . . . . 26 ARG HA . 10253 1 260 . 1 1 26 26 ARG HB2 H 1 1.589 0.030 . 2 . . . . 26 ARG HB2 . 10253 1 261 . 1 1 26 26 ARG HB3 H 1 1.821 0.030 . 2 . . . . 26 ARG HB3 . 10253 1 262 . 1 1 26 26 ARG HD2 H 1 2.971 0.030 . 1 . . . . 26 ARG HD2 . 10253 1 263 . 1 1 26 26 ARG HD3 H 1 2.971 0.030 . 1 . . . . 26 ARG HD3 . 10253 1 264 . 1 1 26 26 ARG HG2 H 1 1.523 0.030 . 2 . . . . 26 ARG HG2 . 10253 1 265 . 1 1 26 26 ARG HG3 H 1 1.653 0.030 . 2 . . . . 26 ARG HG3 . 10253 1 266 . 1 1 26 26 ARG C C 13 174.554 0.300 . 1 . . . . 26 ARG C . 10253 1 267 . 1 1 26 26 ARG CA C 13 55.083 0.300 . 1 . . . . 26 ARG CA . 10253 1 268 . 1 1 26 26 ARG CB C 13 32.789 0.300 . 1 . . . . 26 ARG CB . 10253 1 269 . 1 1 26 26 ARG CD C 13 43.315 0.300 . 1 . . . . 26 ARG CD . 10253 1 270 . 1 1 26 26 ARG CG C 13 28.621 0.300 . 1 . . . . 26 ARG CG . 10253 1 271 . 1 1 26 26 ARG N N 15 121.819 0.300 . 1 . . . . 26 ARG N . 10253 1 272 . 1 1 27 27 HIS H H 1 8.793 0.030 . 1 . . . . 27 HIS H . 10253 1 273 . 1 1 27 27 HIS HA H 1 5.155 0.030 . 1 . . . . 27 HIS HA . 10253 1 274 . 1 1 27 27 HIS HB2 H 1 3.153 0.030 . 2 . . . . 27 HIS HB2 . 10253 1 275 . 1 1 27 27 HIS HB3 H 1 3.720 0.030 . 2 . . . . 27 HIS HB3 . 10253 1 276 . 1 1 27 27 HIS HD2 H 1 6.884 0.030 . 1 . . . . 27 HIS HD2 . 10253 1 277 . 1 1 27 27 HIS HE1 H 1 7.553 0.030 . 1 . . . . 27 HIS HE1 . 10253 1 278 . 1 1 27 27 HIS CA C 13 56.904 0.300 . 1 . . . . 27 HIS CA . 10253 1 279 . 1 1 27 27 HIS CB C 13 34.683 0.300 . 1 . . . . 27 HIS CB . 10253 1 280 . 1 1 27 27 HIS CD2 C 13 122.016 0.300 . 1 . . . . 27 HIS CD2 . 10253 1 281 . 1 1 27 27 HIS CE1 C 13 138.642 0.300 . 1 . . . . 27 HIS CE1 . 10253 1 282 . 1 1 27 27 HIS N N 15 122.102 0.300 . 1 . . . . 27 HIS N . 10253 1 283 . 1 1 28 28 TYR H H 1 9.273 0.030 . 1 . . . . 28 TYR H . 10253 1 284 . 1 1 28 28 TYR HA H 1 4.332 0.030 . 1 . . . . 28 TYR HA . 10253 1 285 . 1 1 28 28 TYR HB2 H 1 1.003 0.030 . 2 . . . . 28 TYR HB2 . 10253 1 286 . 1 1 28 28 TYR HB3 H 1 2.474 0.030 . 2 . . . . 28 TYR HB3 . 10253 1 287 . 1 1 28 28 TYR HD1 H 1 5.542 0.030 . 1 . . . . 28 TYR HD1 . 10253 1 288 . 1 1 28 28 TYR HD2 H 1 5.542 0.030 . 1 . . . . 28 TYR HD2 . 10253 1 289 . 1 1 28 28 TYR HE1 H 1 6.475 0.030 . 1 . . . . 28 TYR HE1 . 10253 1 290 . 1 1 28 28 TYR HE2 H 1 6.475 0.030 . 1 . . . . 28 TYR HE2 . 10253 1 291 . 1 1 28 28 TYR C C 13 174.730 0.300 . 1 . . . . 28 TYR C . 10253 1 292 . 1 1 28 28 TYR CA C 13 58.680 0.300 . 1 . . . . 28 TYR CA . 10253 1 293 . 1 1 28 28 TYR CB C 13 38.673 0.300 . 1 . . . . 28 TYR CB . 10253 1 294 . 1 1 28 28 TYR CD1 C 13 132.285 0.300 . 1 . . . . 28 TYR CD1 . 10253 1 295 . 1 1 28 28 TYR CD2 C 13 132.285 0.300 . 1 . . . . 28 TYR CD2 . 10253 1 296 . 1 1 28 28 TYR CE1 C 13 117.607 0.300 . 1 . . . . 28 TYR CE1 . 10253 1 297 . 1 1 28 28 TYR CE2 C 13 117.607 0.300 . 1 . . . . 28 TYR CE2 . 10253 1 298 . 1 1 28 28 TYR N N 15 125.605 0.300 . 1 . . . . 28 TYR N . 10253 1 299 . 1 1 29 29 TRP H H 1 9.273 0.030 . 1 . . . . 29 TRP H . 10253 1 300 . 1 1 29 29 TRP HA H 1 5.543 0.030 . 1 . . . . 29 TRP HA . 10253 1 301 . 1 1 29 29 TRP HB2 H 1 2.783 0.030 . 2 . . . . 29 TRP HB2 . 10253 1 302 . 1 1 29 29 TRP HB3 H 1 2.433 0.030 . 2 . . . . 29 TRP HB3 . 10253 1 303 . 1 1 29 29 TRP HD1 H 1 6.884 0.030 . 1 . . . . 29 TRP HD1 . 10253 1 304 . 1 1 29 29 TRP HE1 H 1 10.763 0.030 . 1 . . . . 29 TRP HE1 . 10253 1 305 . 1 1 29 29 TRP HE3 H 1 6.362 0.030 . 1 . . . . 29 TRP HE3 . 10253 1 306 . 1 1 29 29 TRP HH2 H 1 6.326 0.030 . 1 . . . . 29 TRP HH2 . 10253 1 307 . 1 1 29 29 TRP HZ2 H 1 6.472 0.030 . 1 . . . . 29 TRP HZ2 . 10253 1 308 . 1 1 29 29 TRP HZ3 H 1 6.414 0.030 . 1 . . . . 29 TRP HZ3 . 10253 1 309 . 1 1 29 29 TRP C C 13 176.172 0.300 . 1 . . . . 29 TRP C . 10253 1 310 . 1 1 29 29 TRP CA C 13 56.658 0.300 . 1 . . . . 29 TRP CA . 10253 1 311 . 1 1 29 29 TRP CB C 13 32.154 0.300 . 1 . . . . 29 TRP CB . 10253 1 312 . 1 1 29 29 TRP CD1 C 13 122.016 0.300 . 1 . . . . 29 TRP CD1 . 10253 1 313 . 1 1 29 29 TRP CE3 C 13 121.329 0.300 . 1 . . . . 29 TRP CE3 . 10253 1 314 . 1 1 29 29 TRP CH2 C 13 123.358 0.300 . 1 . . . . 29 TRP CH2 . 10253 1 315 . 1 1 29 29 TRP CZ2 C 13 112.469 0.300 . 1 . . . . 29 TRP CZ2 . 10253 1 316 . 1 1 29 29 TRP CZ3 C 13 118.713 0.300 . 1 . . . . 29 TRP CZ3 . 10253 1 317 . 1 1 29 29 TRP N N 15 131.340 0.300 . 1 . . . . 29 TRP N . 10253 1 318 . 1 1 30 30 ARG H H 1 9.164 0.030 . 1 . . . . 30 ARG H . 10253 1 319 . 1 1 30 30 ARG HA H 1 5.302 0.030 . 1 . . . . 30 ARG HA . 10253 1 320 . 1 1 30 30 ARG HB2 H 1 1.851 0.030 . 2 . . . . 30 ARG HB2 . 10253 1 321 . 1 1 30 30 ARG HB3 H 1 2.103 0.030 . 2 . . . . 30 ARG HB3 . 10253 1 322 . 1 1 30 30 ARG HD2 H 1 3.184 0.030 . 2 . . . . 30 ARG HD2 . 10253 1 323 . 1 1 30 30 ARG HD3 H 1 3.094 0.030 . 2 . . . . 30 ARG HD3 . 10253 1 324 . 1 1 30 30 ARG HE H 1 7.273 0.030 . 1 . . . . 30 ARG HE . 10253 1 325 . 1 1 30 30 ARG HG2 H 1 1.653 0.030 . 2 . . . . 30 ARG HG2 . 10253 1 326 . 1 1 30 30 ARG HG3 H 1 1.873 0.030 . 2 . . . . 30 ARG HG3 . 10253 1 327 . 1 1 30 30 ARG C C 13 174.774 0.300 . 1 . . . . 30 ARG C . 10253 1 328 . 1 1 30 30 ARG CA C 13 56.271 0.300 . 1 . . . . 30 ARG CA . 10253 1 329 . 1 1 30 30 ARG CB C 13 34.203 0.300 . 1 . . . . 30 ARG CB . 10253 1 330 . 1 1 30 30 ARG CD C 13 43.489 0.300 . 1 . . . . 30 ARG CD . 10253 1 331 . 1 1 30 30 ARG CG C 13 29.253 0.300 . 1 . . . . 30 ARG CG . 10253 1 332 . 1 1 30 30 ARG N N 15 116.040 0.300 . 1 . . . . 30 ARG N . 10253 1 333 . 1 1 30 30 ARG NE N 15 84.885 0.300 . 1 . . . . 30 ARG NE . 10253 1 334 . 1 1 31 31 LEU H H 1 9.273 0.030 . 1 . . . . 31 LEU H . 10253 1 335 . 1 1 31 31 LEU HA H 1 5.324 0.030 . 1 . . . . 31 LEU HA . 10253 1 336 . 1 1 31 31 LEU HB2 H 1 2.040 0.030 . 2 . . . . 31 LEU HB2 . 10253 1 337 . 1 1 31 31 LEU HB3 H 1 1.712 0.030 . 2 . . . . 31 LEU HB3 . 10253 1 338 . 1 1 31 31 LEU HD11 H 1 1.097 0.030 . 1 . . . . 31 LEU HD1 . 10253 1 339 . 1 1 31 31 LEU HD12 H 1 1.097 0.030 . 1 . . . . 31 LEU HD1 . 10253 1 340 . 1 1 31 31 LEU HD13 H 1 1.097 0.030 . 1 . . . . 31 LEU HD1 . 10253 1 341 . 1 1 31 31 LEU HD21 H 1 0.743 0.030 . 1 . . . . 31 LEU HD2 . 10253 1 342 . 1 1 31 31 LEU HD22 H 1 0.743 0.030 . 1 . . . . 31 LEU HD2 . 10253 1 343 . 1 1 31 31 LEU HD23 H 1 0.743 0.030 . 1 . . . . 31 LEU HD2 . 10253 1 344 . 1 1 31 31 LEU HG H 1 1.623 0.030 . 1 . . . . 31 LEU HG . 10253 1 345 . 1 1 31 31 LEU C C 13 174.488 0.300 . 1 . . . . 31 LEU C . 10253 1 346 . 1 1 31 31 LEU CA C 13 53.807 0.300 . 1 . . . . 31 LEU CA . 10253 1 347 . 1 1 31 31 LEU CB C 13 46.667 0.300 . 1 . . . . 31 LEU CB . 10253 1 348 . 1 1 31 31 LEU CD1 C 13 25.243 0.300 . 2 . . . . 31 LEU CD1 . 10253 1 349 . 1 1 31 31 LEU CD2 C 13 27.133 0.300 . 2 . . . . 31 LEU CD2 . 10253 1 350 . 1 1 31 31 LEU CG C 13 27.833 0.300 . 1 . . . . 31 LEU CG . 10253 1 351 . 1 1 31 31 LEU N N 15 127.075 0.300 . 1 . . . . 31 LEU N . 10253 1 352 . 1 1 32 32 ASP H H 1 8.854 0.030 . 1 . . . . 32 ASP H . 10253 1 353 . 1 1 32 32 ASP HA H 1 4.902 0.030 . 1 . . . . 32 ASP HA . 10253 1 354 . 1 1 32 32 ASP HB2 H 1 3.253 0.030 . 2 . . . . 32 ASP HB2 . 10253 1 355 . 1 1 32 32 ASP HB3 H 1 2.673 0.030 . 2 . . . . 32 ASP HB3 . 10253 1 356 . 1 1 32 32 ASP C C 13 173.474 0.300 . 1 . . . . 32 ASP C . 10253 1 357 . 1 1 32 32 ASP CA C 13 53.104 0.300 . 1 . . . . 32 ASP CA . 10253 1 358 . 1 1 32 32 ASP CB C 13 42.931 0.300 . 1 . . . . 32 ASP CB . 10253 1 359 . 1 1 32 32 ASP N N 15 129.349 0.300 . 1 . . . . 32 ASP N . 10253 1 360 . 1 1 33 33 CYS H H 1 8.153 0.030 . 1 . . . . 33 CYS H . 10253 1 361 . 1 1 33 33 CYS HA H 1 4.323 0.030 . 1 . . . . 33 CYS HA . 10253 1 362 . 1 1 33 33 CYS HB2 H 1 3.143 0.030 . 2 . . . . 33 CYS HB2 . 10253 1 363 . 1 1 33 33 CYS HB3 H 1 3.023 0.030 . 2 . . . . 33 CYS HB3 . 10253 1 364 . 1 1 33 33 CYS C C 13 174.476 0.300 . 1 . . . . 33 CYS C . 10253 1 365 . 1 1 33 33 CYS CA C 13 59.853 0.300 . 1 . . . . 33 CYS CA . 10253 1 366 . 1 1 33 33 CYS CB C 13 27.508 0.300 . 1 . . . . 33 CYS CB . 10253 1 367 . 1 1 33 33 CYS N N 15 108.439 0.300 . 1 . . . . 33 CYS N . 10253 1 368 . 1 1 34 34 LYS H H 1 9.144 0.030 . 1 . . . . 34 LYS H . 10253 1 369 . 1 1 34 34 LYS HA H 1 4.616 0.030 . 1 . . . . 34 LYS HA . 10253 1 370 . 1 1 34 34 LYS HB2 H 1 1.933 0.030 . 1 . . . . 34 LYS HB2 . 10253 1 371 . 1 1 34 34 LYS HB3 H 1 1.933 0.030 . 1 . . . . 34 LYS HB3 . 10253 1 372 . 1 1 34 34 LYS HD2 H 1 1.693 0.030 . 1 . . . . 34 LYS HD2 . 10253 1 373 . 1 1 34 34 LYS HD3 H 1 1.693 0.030 . 1 . . . . 34 LYS HD3 . 10253 1 374 . 1 1 34 34 LYS HE2 H 1 2.985 0.030 . 1 . . . . 34 LYS HE2 . 10253 1 375 . 1 1 34 34 LYS HE3 H 1 2.985 0.030 . 1 . . . . 34 LYS HE3 . 10253 1 376 . 1 1 34 34 LYS HG2 H 1 1.474 0.030 . 2 . . . . 34 LYS HG2 . 10253 1 377 . 1 1 34 34 LYS HG3 H 1 1.524 0.030 . 2 . . . . 34 LYS HG3 . 10253 1 378 . 1 1 34 34 LYS C C 13 177.601 0.300 . 1 . . . . 34 LYS C . 10253 1 379 . 1 1 34 34 LYS CA C 13 57.185 0.300 . 1 . . . . 34 LYS CA . 10253 1 380 . 1 1 34 34 LYS CB C 13 35.623 0.300 . 1 . . . . 34 LYS CB . 10253 1 381 . 1 1 34 34 LYS CD C 13 29.103 0.300 . 1 . . . . 34 LYS CD . 10253 1 382 . 1 1 34 34 LYS CE C 13 42.176 0.300 . 1 . . . . 34 LYS CE . 10253 1 383 . 1 1 34 34 LYS CG C 13 25.003 0.300 . 1 . . . . 34 LYS CG . 10253 1 384 . 1 1 34 34 LYS N N 15 119.884 0.300 . 1 . . . . 34 LYS N . 10253 1 385 . 1 1 35 35 CYS H H 1 9.102 0.030 . 1 . . . . 35 CYS H . 10253 1 386 . 1 1 35 35 CYS HA H 1 4.935 0.030 . 1 . . . . 35 CYS HA . 10253 1 387 . 1 1 35 35 CYS HB2 H 1 2.933 0.030 . 2 . . . . 35 CYS HB2 . 10253 1 388 . 1 1 35 35 CYS HB3 H 1 2.413 0.030 . 2 . . . . 35 CYS HB3 . 10253 1 389 . 1 1 35 35 CYS C C 13 172.283 0.300 . 1 . . . . 35 CYS C . 10253 1 390 . 1 1 35 35 CYS CA C 13 57.748 0.300 . 1 . . . . 35 CYS CA . 10253 1 391 . 1 1 35 35 CYS CB C 13 31.537 0.300 . 1 . . . . 35 CYS CB . 10253 1 392 . 1 1 35 35 CYS N N 15 120.317 0.300 . 1 . . . . 35 CYS N . 10253 1 393 . 1 1 36 36 ILE H H 1 8.213 0.030 . 1 . . . . 36 ILE H . 10253 1 394 . 1 1 36 36 ILE HA H 1 4.617 0.030 . 1 . . . . 36 ILE HA . 10253 1 395 . 1 1 36 36 ILE HB H 1 1.283 0.030 . 1 . . . . 36 ILE HB . 10253 1 396 . 1 1 36 36 ILE HD11 H 1 0.753 0.030 . 1 . . . . 36 ILE HD1 . 10253 1 397 . 1 1 36 36 ILE HD12 H 1 0.753 0.030 . 1 . . . . 36 ILE HD1 . 10253 1 398 . 1 1 36 36 ILE HD13 H 1 0.753 0.030 . 1 . . . . 36 ILE HD1 . 10253 1 399 . 1 1 36 36 ILE HG12 H 1 0.890 0.030 . 2 . . . . 36 ILE HG12 . 10253 1 400 . 1 1 36 36 ILE HG13 H 1 1.722 0.030 . 2 . . . . 36 ILE HG13 . 10253 1 401 . 1 1 36 36 ILE HG21 H 1 0.194 0.030 . 1 . . . . 36 ILE HG2 . 10253 1 402 . 1 1 36 36 ILE HG22 H 1 0.194 0.030 . 1 . . . . 36 ILE HG2 . 10253 1 403 . 1 1 36 36 ILE HG23 H 1 0.194 0.030 . 1 . . . . 36 ILE HG2 . 10253 1 404 . 1 1 36 36 ILE C C 13 175.312 0.300 . 1 . . . . 36 ILE C . 10253 1 405 . 1 1 36 36 ILE CA C 13 60.967 0.300 . 1 . . . . 36 ILE CA . 10253 1 406 . 1 1 36 36 ILE CB C 13 39.718 0.300 . 1 . . . . 36 ILE CB . 10253 1 407 . 1 1 36 36 ILE CD1 C 13 14.714 0.300 . 1 . . . . 36 ILE CD1 . 10253 1 408 . 1 1 36 36 ILE CG1 C 13 28.795 0.300 . 1 . . . . 36 ILE CG1 . 10253 1 409 . 1 1 36 36 ILE CG2 C 13 19.113 0.300 . 1 . . . . 36 ILE CG2 . 10253 1 410 . 1 1 36 36 ILE N N 15 121.905 0.300 . 1 . . . . 36 ILE N . 10253 1 411 . 1 1 37 37 THR H H 1 9.076 0.030 . 1 . . . . 37 THR H . 10253 1 412 . 1 1 37 37 THR HA H 1 4.364 0.030 . 1 . . . . 37 THR HA . 10253 1 413 . 1 1 37 37 THR HB H 1 3.663 0.030 . 1 . . . . 37 THR HB . 10253 1 414 . 1 1 37 37 THR HG21 H 1 0.241 0.030 . 1 . . . . 37 THR HG2 . 10253 1 415 . 1 1 37 37 THR HG22 H 1 0.241 0.030 . 1 . . . . 37 THR HG2 . 10253 1 416 . 1 1 37 37 THR HG23 H 1 0.241 0.030 . 1 . . . . 37 THR HG2 . 10253 1 417 . 1 1 37 37 THR CA C 13 61.834 0.300 . 1 . . . . 37 THR CA . 10253 1 418 . 1 1 37 37 THR CB C 13 69.237 0.300 . 1 . . . . 37 THR CB . 10253 1 419 . 1 1 37 37 THR CG2 C 13 23.444 0.300 . 1 . . . . 37 THR CG2 . 10253 1 420 . 1 1 37 37 THR N N 15 122.500 0.300 . 1 . . . . 37 THR N . 10253 1 421 . 1 1 38 38 LEU H H 1 8.263 0.030 . 1 . . . . 38 LEU H . 10253 1 422 . 1 1 38 38 LEU HA H 1 4.445 0.030 . 1 . . . . 38 LEU HA . 10253 1 423 . 1 1 38 38 LEU HB2 H 1 1.080 0.030 . 1 . . . . 38 LEU HB2 . 10253 1 424 . 1 1 38 38 LEU HB3 H 1 1.080 0.030 . 1 . . . . 38 LEU HB3 . 10253 1 425 . 1 1 38 38 LEU HD11 H 1 -0.562 0.030 . 1 . . . . 38 LEU HD1 . 10253 1 426 . 1 1 38 38 LEU HD12 H 1 -0.562 0.030 . 1 . . . . 38 LEU HD1 . 10253 1 427 . 1 1 38 38 LEU HD13 H 1 -0.562 0.030 . 1 . . . . 38 LEU HD1 . 10253 1 428 . 1 1 38 38 LEU HD21 H 1 0.064 0.030 . 1 . . . . 38 LEU HD2 . 10253 1 429 . 1 1 38 38 LEU HD22 H 1 0.064 0.030 . 1 . . . . 38 LEU HD2 . 10253 1 430 . 1 1 38 38 LEU HD23 H 1 0.064 0.030 . 1 . . . . 38 LEU HD2 . 10253 1 431 . 1 1 38 38 LEU HG H 1 0.144 0.030 . 1 . . . . 38 LEU HG . 10253 1 432 . 1 1 38 38 LEU CA C 13 55.611 0.300 . 1 . . . . 38 LEU CA . 10253 1 433 . 1 1 38 38 LEU CB C 13 42.702 0.300 . 1 . . . . 38 LEU CB . 10253 1 434 . 1 1 38 38 LEU CD1 C 13 22.795 0.300 . 2 . . . . 38 LEU CD1 . 10253 1 435 . 1 1 38 38 LEU CD2 C 13 26.883 0.300 . 2 . . . . 38 LEU CD2 . 10253 1 436 . 1 1 38 38 LEU CG C 13 29.317 0.300 . 1 . . . . 38 LEU CG . 10253 1 437 . 1 1 38 38 LEU N N 15 126.987 0.300 . 1 . . . . 38 LEU N . 10253 1 438 . 1 1 39 39 PHE H H 1 9.520 0.030 . 1 . . . . 39 PHE H . 10253 1 439 . 1 1 39 39 PHE HA H 1 4.998 0.030 . 1 . . . . 39 PHE HA . 10253 1 440 . 1 1 39 39 PHE HB2 H 1 3.438 0.030 . 2 . . . . 39 PHE HB2 . 10253 1 441 . 1 1 39 39 PHE HB3 H 1 3.603 0.030 . 2 . . . . 39 PHE HB3 . 10253 1 442 . 1 1 39 39 PHE HD1 H 1 7.554 0.030 . 1 . . . . 39 PHE HD1 . 10253 1 443 . 1 1 39 39 PHE HD2 H 1 7.554 0.030 . 1 . . . . 39 PHE HD2 . 10253 1 444 . 1 1 39 39 PHE HE1 H 1 7.360 0.030 . 1 . . . . 39 PHE HE1 . 10253 1 445 . 1 1 39 39 PHE HE2 H 1 7.360 0.030 . 1 . . . . 39 PHE HE2 . 10253 1 446 . 1 1 39 39 PHE HZ H 1 7.492 0.030 . 1 . . . . 39 PHE HZ . 10253 1 447 . 1 1 39 39 PHE CA C 13 57.331 0.300 . 1 . . . . 39 PHE CA . 10253 1 448 . 1 1 39 39 PHE CB C 13 42.453 0.300 . 1 . . . . 39 PHE CB . 10253 1 449 . 1 1 39 39 PHE CD1 C 13 133.714 0.300 . 1 . . . . 39 PHE CD1 . 10253 1 450 . 1 1 39 39 PHE CD2 C 13 133.714 0.300 . 1 . . . . 39 PHE CD2 . 10253 1 451 . 1 1 39 39 PHE CE1 C 13 130.944 0.300 . 1 . . . . 39 PHE CE1 . 10253 1 452 . 1 1 39 39 PHE CE2 C 13 130.944 0.300 . 1 . . . . 39 PHE CE2 . 10253 1 453 . 1 1 39 39 PHE CZ C 13 130.914 0.300 . 1 . . . . 39 PHE CZ . 10253 1 454 . 1 1 39 39 PHE N N 15 120.545 0.300 . 1 . . . . 39 PHE N . 10253 1 455 . 1 1 40 40 GLN H H 1 9.878 0.030 . 1 . . . . 40 GLN H . 10253 1 456 . 1 1 40 40 GLN HA H 1 4.376 0.030 . 1 . . . . 40 GLN HA . 10253 1 457 . 1 1 40 40 GLN HB2 H 1 2.273 0.030 . 1 . . . . 40 GLN HB2 . 10253 1 458 . 1 1 40 40 GLN HB3 H 1 2.273 0.030 . 1 . . . . 40 GLN HB3 . 10253 1 459 . 1 1 40 40 GLN HE21 H 1 7.493 0.030 . 2 . . . . 40 GLN HE21 . 10253 1 460 . 1 1 40 40 GLN HE22 H 1 6.899 0.030 . 2 . . . . 40 GLN HE22 . 10253 1 461 . 1 1 40 40 GLN HG2 H 1 2.518 0.030 . 2 . . . . 40 GLN HG2 . 10253 1 462 . 1 1 40 40 GLN HG3 H 1 2.563 0.030 . 2 . . . . 40 GLN HG3 . 10253 1 463 . 1 1 40 40 GLN CA C 13 59.513 0.300 . 1 . . . . 40 GLN CA . 10253 1 464 . 1 1 40 40 GLN CB C 13 29.317 0.300 . 1 . . . . 40 GLN CB . 10253 1 465 . 1 1 40 40 GLN CG C 13 33.857 0.300 . 1 . . . . 40 GLN CG . 10253 1 466 . 1 1 40 40 GLN NE2 N 15 111.399 0.300 . 1 . . . . 40 GLN NE2 . 10253 1 467 . 1 1 41 41 ASN H H 1 7.732 0.030 . 1 . . . . 41 ASN H . 10253 1 468 . 1 1 41 41 ASN HA H 1 4.812 0.030 . 1 . . . . 41 ASN HA . 10253 1 469 . 1 1 41 41 ASN HB2 H 1 3.313 0.030 . 2 . . . . 41 ASN HB2 . 10253 1 470 . 1 1 41 41 ASN HB3 H 1 3.499 0.030 . 2 . . . . 41 ASN HB3 . 10253 1 471 . 1 1 41 41 ASN HD21 H 1 7.103 0.030 . 2 . . . . 41 ASN HD21 . 10253 1 472 . 1 1 41 41 ASN HD22 H 1 7.993 0.030 . 2 . . . . 41 ASN HD22 . 10253 1 473 . 1 1 41 41 ASN CA C 13 52.618 0.300 . 1 . . . . 41 ASN CA . 10253 1 474 . 1 1 41 41 ASN CB C 13 39.362 0.300 . 1 . . . . 41 ASN CB . 10253 1 475 . 1 1 41 41 ASN N N 15 107.613 0.300 . 1 . . . . 41 ASN N . 10253 1 476 . 1 1 41 41 ASN ND2 N 15 115.832 0.300 . 1 . . . . 41 ASN ND2 . 10253 1 477 . 1 1 42 42 ASN HA H 1 3.476 0.030 . 1 . . . . 42 ASN HA . 10253 1 478 . 1 1 42 42 ASN HB2 H 1 0.924 0.030 . 2 . . . . 42 ASN HB2 . 10253 1 479 . 1 1 42 42 ASN HB3 H 1 2.093 0.030 . 2 . . . . 42 ASN HB3 . 10253 1 480 . 1 1 42 42 ASN HD21 H 1 7.503 0.030 . 2 . . . . 42 ASN HD21 . 10253 1 481 . 1 1 42 42 ASN HD22 H 1 7.095 0.030 . 2 . . . . 42 ASN HD22 . 10253 1 482 . 1 1 42 42 ASN C C 13 173.607 0.300 . 1 . . . . 42 ASN C . 10253 1 483 . 1 1 42 42 ASN CA C 13 54.888 0.300 . 1 . . . . 42 ASN CA . 10253 1 484 . 1 1 42 42 ASN CB C 13 35.613 0.300 . 1 . . . . 42 ASN CB . 10253 1 485 . 1 1 42 42 ASN ND2 N 15 114.602 0.300 . 1 . . . . 42 ASN ND2 . 10253 1 486 . 1 1 43 43 THR H H 1 8.394 0.030 . 1 . . . . 43 THR H . 10253 1 487 . 1 1 43 43 THR HA H 1 4.403 0.030 . 1 . . . . 43 THR HA . 10253 1 488 . 1 1 43 43 THR HB H 1 4.192 0.030 . 1 . . . . 43 THR HB . 10253 1 489 . 1 1 43 43 THR HG21 H 1 1.049 0.030 . 1 . . . . 43 THR HG2 . 10253 1 490 . 1 1 43 43 THR HG22 H 1 1.049 0.030 . 1 . . . . 43 THR HG2 . 10253 1 491 . 1 1 43 43 THR HG23 H 1 1.049 0.030 . 1 . . . . 43 THR HG2 . 10253 1 492 . 1 1 43 43 THR C C 13 174.464 0.300 . 1 . . . . 43 THR C . 10253 1 493 . 1 1 43 43 THR CA C 13 61.978 0.300 . 1 . . . . 43 THR CA . 10253 1 494 . 1 1 43 43 THR CB C 13 70.036 0.300 . 1 . . . . 43 THR CB . 10253 1 495 . 1 1 43 43 THR CG2 C 13 21.233 0.300 . 1 . . . . 43 THR CG2 . 10253 1 496 . 1 1 43 43 THR N N 15 111.795 0.300 . 1 . . . . 43 THR N . 10253 1 497 . 1 1 44 44 THR H H 1 8.058 0.030 . 1 . . . . 44 THR H . 10253 1 498 . 1 1 44 44 THR HA H 1 4.464 0.030 . 1 . . . . 44 THR HA . 10253 1 499 . 1 1 44 44 THR HB H 1 4.439 0.030 . 1 . . . . 44 THR HB . 10253 1 500 . 1 1 44 44 THR HG21 H 1 1.519 0.030 . 1 . . . . 44 THR HG2 . 10253 1 501 . 1 1 44 44 THR HG22 H 1 1.519 0.030 . 1 . . . . 44 THR HG2 . 10253 1 502 . 1 1 44 44 THR HG23 H 1 1.519 0.030 . 1 . . . . 44 THR HG2 . 10253 1 503 . 1 1 44 44 THR CA C 13 61.599 0.300 . 1 . . . . 44 THR CA . 10253 1 504 . 1 1 44 44 THR CB C 13 69.137 0.300 . 1 . . . . 44 THR CB . 10253 1 505 . 1 1 44 44 THR CG2 C 13 20.797 0.300 . 1 . . . . 44 THR CG2 . 10253 1 506 . 1 1 44 44 THR N N 15 116.514 0.300 . 1 . . . . 44 THR N . 10253 1 507 . 1 1 45 45 ASN H H 1 6.653 0.030 . 1 . . . . 45 ASN H . 10253 1 508 . 1 1 45 45 ASN HA H 1 4.945 0.030 . 1 . . . . 45 ASN HA . 10253 1 509 . 1 1 45 45 ASN HB2 H 1 3.033 0.030 . 2 . . . . 45 ASN HB2 . 10253 1 510 . 1 1 45 45 ASN HB3 H 1 2.943 0.030 . 2 . . . . 45 ASN HB3 . 10253 1 511 . 1 1 45 45 ASN HD21 H 1 7.603 0.030 . 2 . . . . 45 ASN HD21 . 10253 1 512 . 1 1 45 45 ASN HD22 H 1 6.894 0.030 . 2 . . . . 45 ASN HD22 . 10253 1 513 . 1 1 45 45 ASN CA C 13 53.227 0.300 . 1 . . . . 45 ASN CA . 10253 1 514 . 1 1 45 45 ASN CB C 13 38.483 0.300 . 1 . . . . 45 ASN CB . 10253 1 515 . 1 1 45 45 ASN ND2 N 15 111.932 0.300 . 1 . . . . 45 ASN ND2 . 10253 1 516 . 1 1 46 46 ARG H H 1 8.213 0.030 . 1 . . . . 46 ARG H . 10253 1 517 . 1 1 46 46 ARG HA H 1 4.583 0.030 . 1 . . . . 46 ARG HA . 10253 1 518 . 1 1 46 46 ARG HB2 H 1 1.771 0.030 . 2 . . . . 46 ARG HB2 . 10253 1 519 . 1 1 46 46 ARG HB3 H 1 1.820 0.030 . 2 . . . . 46 ARG HB3 . 10253 1 520 . 1 1 46 46 ARG HD2 H 1 3.192 0.030 . 1 . . . . 46 ARG HD2 . 10253 1 521 . 1 1 46 46 ARG HD3 H 1 3.192 0.030 . 1 . . . . 46 ARG HD3 . 10253 1 522 . 1 1 46 46 ARG HG2 H 1 1.665 0.030 . 2 . . . . 46 ARG HG2 . 10253 1 523 . 1 1 46 46 ARG HG3 H 1 1.582 0.030 . 2 . . . . 46 ARG HG3 . 10253 1 524 . 1 1 46 46 ARG CA C 13 55.487 0.300 . 1 . . . . 46 ARG CA . 10253 1 525 . 1 1 46 46 ARG CB C 13 31.153 0.300 . 1 . . . . 46 ARG CB . 10253 1 526 . 1 1 46 46 ARG CD C 13 43.315 0.300 . 1 . . . . 46 ARG CD . 10253 1 527 . 1 1 46 46 ARG CG C 13 26.853 0.300 . 1 . . . . 46 ARG CG . 10253 1 528 . 1 1 46 46 ARG N N 15 121.652 0.300 . 1 . . . . 46 ARG N . 10253 1 529 . 1 1 47 47 TYR H H 1 7.973 0.030 . 1 . . . . 47 TYR H . 10253 1 530 . 1 1 47 47 TYR HB2 H 1 1.893 0.030 . 2 . . . . 47 TYR HB2 . 10253 1 531 . 1 1 47 47 TYR HB3 H 1 2.472 0.030 . 2 . . . . 47 TYR HB3 . 10253 1 532 . 1 1 47 47 TYR HD1 H 1 6.615 0.030 . 1 . . . . 47 TYR HD1 . 10253 1 533 . 1 1 47 47 TYR HD2 H 1 6.615 0.030 . 1 . . . . 47 TYR HD2 . 10253 1 534 . 1 1 47 47 TYR HE1 H 1 6.680 0.030 . 1 . . . . 47 TYR HE1 . 10253 1 535 . 1 1 47 47 TYR HE2 H 1 6.680 0.030 . 1 . . . . 47 TYR HE2 . 10253 1 536 . 1 1 47 47 TYR CB C 13 39.356 0.300 . 1 . . . . 47 TYR CB . 10253 1 537 . 1 1 47 47 TYR CD1 C 13 133.407 0.300 . 1 . . . . 47 TYR CD1 . 10253 1 538 . 1 1 47 47 TYR CD2 C 13 133.407 0.300 . 1 . . . . 47 TYR CD2 . 10253 1 539 . 1 1 47 47 TYR CE1 C 13 118.359 0.300 . 1 . . . . 47 TYR CE1 . 10253 1 540 . 1 1 47 47 TYR CE2 C 13 118.359 0.300 . 1 . . . . 47 TYR CE2 . 10253 1 541 . 1 1 48 48 TYR H H 1 9.023 0.030 . 1 . . . . 48 TYR H . 10253 1 542 . 1 1 48 48 TYR HA H 1 4.662 0.030 . 1 . . . . 48 TYR HA . 10253 1 543 . 1 1 48 48 TYR HB2 H 1 2.343 0.030 . 2 . . . . 48 TYR HB2 . 10253 1 544 . 1 1 48 48 TYR HB3 H 1 3.258 0.030 . 2 . . . . 48 TYR HB3 . 10253 1 545 . 1 1 48 48 TYR HD1 H 1 6.783 0.030 . 1 . . . . 48 TYR HD1 . 10253 1 546 . 1 1 48 48 TYR HD2 H 1 6.783 0.030 . 1 . . . . 48 TYR HD2 . 10253 1 547 . 1 1 48 48 TYR HE1 H 1 6.686 0.030 . 1 . . . . 48 TYR HE1 . 10253 1 548 . 1 1 48 48 TYR HE2 H 1 6.686 0.030 . 1 . . . . 48 TYR HE2 . 10253 1 549 . 1 1 48 48 TYR CB C 13 39.863 0.300 . 1 . . . . 48 TYR CB . 10253 1 550 . 1 1 48 48 TYR CD1 C 13 133.606 0.300 . 1 . . . . 48 TYR CD1 . 10253 1 551 . 1 1 48 48 TYR CD2 C 13 133.606 0.300 . 1 . . . . 48 TYR CD2 . 10253 1 552 . 1 1 48 48 TYR CE1 C 13 117.802 0.300 . 1 . . . . 48 TYR CE1 . 10253 1 553 . 1 1 48 48 TYR CE2 C 13 117.802 0.300 . 1 . . . . 48 TYR CE2 . 10253 1 554 . 1 1 48 48 TYR N N 15 121.223 0.300 . 1 . . . . 48 TYR N . 10253 1 555 . 1 1 49 49 LYS H H 1 7.134 0.030 . 1 . . . . 49 LYS H . 10253 1 556 . 1 1 49 49 LYS HA H 1 4.283 0.030 . 1 . . . . 49 LYS HA . 10253 1 557 . 1 1 49 49 LYS HB2 H 1 1.193 0.030 . 2 . . . . 49 LYS HB2 . 10253 1 558 . 1 1 49 49 LYS HB3 H 1 1.072 0.030 . 2 . . . . 49 LYS HB3 . 10253 1 559 . 1 1 49 49 LYS HD2 H 1 1.523 0.030 . 2 . . . . 49 LYS HD2 . 10253 1 560 . 1 1 49 49 LYS HD3 H 1 1.313 0.030 . 2 . . . . 49 LYS HD3 . 10253 1 561 . 1 1 49 49 LYS HE2 H 1 2.774 0.030 . 2 . . . . 49 LYS HE2 . 10253 1 562 . 1 1 49 49 LYS HE3 H 1 2.873 0.030 . 2 . . . . 49 LYS HE3 . 10253 1 563 . 1 1 49 49 LYS HG2 H 1 0.913 0.030 . 1 . . . . 49 LYS HG2 . 10253 1 564 . 1 1 49 49 LYS HG3 H 1 0.913 0.030 . 1 . . . . 49 LYS HG3 . 10253 1 565 . 1 1 49 49 LYS CA C 13 55.167 0.300 . 1 . . . . 49 LYS CA . 10253 1 566 . 1 1 49 49 LYS CB C 13 36.699 0.300 . 1 . . . . 49 LYS CB . 10253 1 567 . 1 1 49 49 LYS CD C 13 28.445 0.300 . 1 . . . . 49 LYS CD . 10253 1 568 . 1 1 49 49 LYS CE C 13 41.354 0.300 . 1 . . . . 49 LYS CE . 10253 1 569 . 1 1 49 49 LYS CG C 13 24.005 0.300 . 1 . . . . 49 LYS CG . 10253 1 570 . 1 1 49 49 LYS N N 15 117.339 0.300 . 1 . . . . 49 LYS N . 10253 1 571 . 1 1 50 50 GLU H H 1 8.411 0.030 . 1 . . . . 50 GLU H . 10253 1 572 . 1 1 50 50 GLU HA H 1 4.583 0.030 . 1 . . . . 50 GLU HA . 10253 1 573 . 1 1 50 50 GLU HB2 H 1 1.552 0.030 . 2 . . . . 50 GLU HB2 . 10253 1 574 . 1 1 50 50 GLU HB3 H 1 1.426 0.030 . 2 . . . . 50 GLU HB3 . 10253 1 575 . 1 1 50 50 GLU HG2 H 1 1.626 0.030 . 2 . . . . 50 GLU HG2 . 10253 1 576 . 1 1 50 50 GLU HG3 H 1 1.573 0.030 . 2 . . . . 50 GLU HG3 . 10253 1 577 . 1 1 50 50 GLU CA C 13 54.592 0.300 . 1 . . . . 50 GLU CA . 10253 1 578 . 1 1 50 50 GLU CB C 13 33.263 0.300 . 1 . . . . 50 GLU CB . 10253 1 579 . 1 1 50 50 GLU CG C 13 36.585 0.300 . 1 . . . . 50 GLU CG . 10253 1 580 . 1 1 50 50 GLU N N 15 123.825 0.300 . 1 . . . . 50 GLU N . 10253 1 581 . 1 1 51 51 ILE H H 1 9.225 0.030 . 1 . . . . 51 ILE H . 10253 1 582 . 1 1 51 51 ILE HA H 1 4.277 0.030 . 1 . . . . 51 ILE HA . 10253 1 583 . 1 1 51 51 ILE HB H 1 1.442 0.030 . 1 . . . . 51 ILE HB . 10253 1 584 . 1 1 51 51 ILE HD11 H 1 -0.427 0.030 . 1 . . . . 51 ILE HD1 . 10253 1 585 . 1 1 51 51 ILE HD12 H 1 -0.427 0.030 . 1 . . . . 51 ILE HD1 . 10253 1 586 . 1 1 51 51 ILE HD13 H 1 -0.427 0.030 . 1 . . . . 51 ILE HD1 . 10253 1 587 . 1 1 51 51 ILE HG12 H 1 0.733 0.030 . 2 . . . . 51 ILE HG12 . 10253 1 588 . 1 1 51 51 ILE HG13 H 1 0.393 0.030 . 2 . . . . 51 ILE HG13 . 10253 1 589 . 1 1 51 51 ILE HG21 H 1 0.521 0.030 . 1 . . . . 51 ILE HG2 . 10253 1 590 . 1 1 51 51 ILE HG22 H 1 0.521 0.030 . 1 . . . . 51 ILE HG2 . 10253 1 591 . 1 1 51 51 ILE HG23 H 1 0.521 0.030 . 1 . . . . 51 ILE HG2 . 10253 1 592 . 1 1 51 51 ILE CA C 13 58.182 0.300 . 1 . . . . 51 ILE CA . 10253 1 593 . 1 1 51 51 ILE CB C 13 39.663 0.300 . 1 . . . . 51 ILE CB . 10253 1 594 . 1 1 51 51 ILE CD1 C 13 12.240 0.300 . 1 . . . . 51 ILE CD1 . 10253 1 595 . 1 1 51 51 ILE CG1 C 13 25.953 0.300 . 1 . . . . 51 ILE CG1 . 10253 1 596 . 1 1 51 51 ILE CG2 C 13 16.425 0.300 . 1 . . . . 51 ILE CG2 . 10253 1 597 . 1 1 51 51 ILE N N 15 125.271 0.300 . 1 . . . . 51 ILE N . 10253 1 598 . 1 1 52 52 PRO HA H 1 4.543 0.030 . 1 . . . . 52 PRO HA . 10253 1 599 . 1 1 52 52 PRO HB2 H 1 2.425 0.030 . 2 . . . . 52 PRO HB2 . 10253 1 600 . 1 1 52 52 PRO HB3 H 1 1.863 0.030 . 2 . . . . 52 PRO HB3 . 10253 1 601 . 1 1 52 52 PRO HD2 H 1 3.653 0.030 . 2 . . . . 52 PRO HD2 . 10253 1 602 . 1 1 52 52 PRO HD3 H 1 3.544 0.030 . 2 . . . . 52 PRO HD3 . 10253 1 603 . 1 1 52 52 PRO HG2 H 1 2.054 0.030 . 2 . . . . 52 PRO HG2 . 10253 1 604 . 1 1 52 52 PRO HG3 H 1 1.854 0.030 . 2 . . . . 52 PRO HG3 . 10253 1 605 . 1 1 52 52 PRO C C 13 178.340 0.300 . 1 . . . . 52 PRO C . 10253 1 606 . 1 1 52 52 PRO CA C 13 62.726 0.300 . 1 . . . . 52 PRO CA . 10253 1 607 . 1 1 52 52 PRO CB C 13 32.003 0.300 . 1 . . . . 52 PRO CB . 10253 1 608 . 1 1 52 52 PRO CD C 13 51.243 0.300 . 1 . . . . 52 PRO CD . 10253 1 609 . 1 1 52 52 PRO CG C 13 28.116 0.300 . 1 . . . . 52 PRO CG . 10253 1 610 . 1 1 53 53 LEU H H 1 8.723 0.030 . 1 . . . . 53 LEU H . 10253 1 611 . 1 1 53 53 LEU HA H 1 3.891 0.030 . 1 . . . . 53 LEU HA . 10253 1 612 . 1 1 53 53 LEU HB2 H 1 1.653 0.030 . 2 . . . . 53 LEU HB2 . 10253 1 613 . 1 1 53 53 LEU HB3 H 1 1.482 0.030 . 2 . . . . 53 LEU HB3 . 10253 1 614 . 1 1 53 53 LEU HD11 H 1 0.815 0.030 . 1 . . . . 53 LEU HD1 . 10253 1 615 . 1 1 53 53 LEU HD12 H 1 0.815 0.030 . 1 . . . . 53 LEU HD1 . 10253 1 616 . 1 1 53 53 LEU HD13 H 1 0.815 0.030 . 1 . . . . 53 LEU HD1 . 10253 1 617 . 1 1 53 53 LEU HD21 H 1 0.752 0.030 . 1 . . . . 53 LEU HD2 . 10253 1 618 . 1 1 53 53 LEU HD22 H 1 0.752 0.030 . 1 . . . . 53 LEU HD2 . 10253 1 619 . 1 1 53 53 LEU HD23 H 1 0.752 0.030 . 1 . . . . 53 LEU HD2 . 10253 1 620 . 1 1 53 53 LEU HG H 1 1.364 0.030 . 1 . . . . 53 LEU HG . 10253 1 621 . 1 1 53 53 LEU C C 13 179.673 0.300 . 1 . . . . 53 LEU C . 10253 1 622 . 1 1 53 53 LEU CA C 13 58.205 0.300 . 1 . . . . 53 LEU CA . 10253 1 623 . 1 1 53 53 LEU CB C 13 40.171 0.300 . 1 . . . . 53 LEU CB . 10253 1 624 . 1 1 53 53 LEU CD1 C 13 25.978 0.300 . 2 . . . . 53 LEU CD1 . 10253 1 625 . 1 1 53 53 LEU CD2 C 13 22.413 0.300 . 2 . . . . 53 LEU CD2 . 10253 1 626 . 1 1 53 53 LEU CG C 13 27.875 0.300 . 1 . . . . 53 LEU CG . 10253 1 627 . 1 1 53 53 LEU N N 15 125.150 0.300 . 1 . . . . 53 LEU N . 10253 1 628 . 1 1 54 54 SER H H 1 8.360 0.030 . 1 . . . . 54 SER H . 10253 1 629 . 1 1 54 54 SER HA H 1 4.164 0.030 . 1 . . . . 54 SER HA . 10253 1 630 . 1 1 54 54 SER HB2 H 1 4.043 0.030 . 2 . . . . 54 SER HB2 . 10253 1 631 . 1 1 54 54 SER HB3 H 1 3.864 0.030 . 2 . . . . 54 SER HB3 . 10253 1 632 . 1 1 54 54 SER C C 13 175.517 0.300 . 1 . . . . 54 SER C . 10253 1 633 . 1 1 54 54 SER CA C 13 60.193 0.300 . 1 . . . . 54 SER CA . 10253 1 634 . 1 1 54 54 SER CB C 13 62.617 0.300 . 1 . . . . 54 SER CB . 10253 1 635 . 1 1 54 54 SER N N 15 111.266 0.300 . 1 . . . . 54 SER N . 10253 1 636 . 1 1 55 55 GLU H H 1 7.666 0.030 . 1 . . . . 55 GLU H . 10253 1 637 . 1 1 55 55 GLU HA H 1 4.363 0.030 . 1 . . . . 55 GLU HA . 10253 1 638 . 1 1 55 55 GLU HB2 H 1 2.322 0.030 . 2 . . . . 55 GLU HB2 . 10253 1 639 . 1 1 55 55 GLU HB3 H 1 2.043 0.030 . 2 . . . . 55 GLU HB3 . 10253 1 640 . 1 1 55 55 GLU HG2 H 1 2.313 0.030 . 1 . . . . 55 GLU HG2 . 10253 1 641 . 1 1 55 55 GLU HG3 H 1 2.313 0.030 . 1 . . . . 55 GLU HG3 . 10253 1 642 . 1 1 55 55 GLU C C 13 176.753 0.300 . 1 . . . . 55 GLU C . 10253 1 643 . 1 1 55 55 GLU CA C 13 56.200 0.300 . 1 . . . . 55 GLU CA . 10253 1 644 . 1 1 55 55 GLU CB C 13 30.526 0.300 . 1 . . . . 55 GLU CB . 10253 1 645 . 1 1 55 55 GLU CG C 13 37.160 0.300 . 1 . . . . 55 GLU CG . 10253 1 646 . 1 1 55 55 GLU N N 15 119.485 0.300 . 1 . . . . 55 GLU N . 10253 1 647 . 1 1 56 56 ILE H H 1 7.601 0.030 . 1 . . . . 56 ILE H . 10253 1 648 . 1 1 56 56 ILE HA H 1 3.793 0.030 . 1 . . . . 56 ILE HA . 10253 1 649 . 1 1 56 56 ILE HB H 1 2.091 0.030 . 1 . . . . 56 ILE HB . 10253 1 650 . 1 1 56 56 ILE HD11 H 1 0.783 0.030 . 1 . . . . 56 ILE HD1 . 10253 1 651 . 1 1 56 56 ILE HD12 H 1 0.783 0.030 . 1 . . . . 56 ILE HD1 . 10253 1 652 . 1 1 56 56 ILE HD13 H 1 0.783 0.030 . 1 . . . . 56 ILE HD1 . 10253 1 653 . 1 1 56 56 ILE HG12 H 1 0.485 0.030 . 2 . . . . 56 ILE HG12 . 10253 1 654 . 1 1 56 56 ILE HG13 H 1 1.883 0.030 . 2 . . . . 56 ILE HG13 . 10253 1 655 . 1 1 56 56 ILE HG21 H 1 0.743 0.030 . 1 . . . . 56 ILE HG2 . 10253 1 656 . 1 1 56 56 ILE HG22 H 1 0.743 0.030 . 1 . . . . 56 ILE HG2 . 10253 1 657 . 1 1 56 56 ILE HG23 H 1 0.743 0.030 . 1 . . . . 56 ILE HG2 . 10253 1 658 . 1 1 56 56 ILE C C 13 175.142 0.300 . 1 . . . . 56 ILE C . 10253 1 659 . 1 1 56 56 ILE CA C 13 63.518 0.300 . 1 . . . . 56 ILE CA . 10253 1 660 . 1 1 56 56 ILE CB C 13 37.169 0.300 . 1 . . . . 56 ILE CB . 10253 1 661 . 1 1 56 56 ILE CD1 C 13 14.303 0.300 . 1 . . . . 56 ILE CD1 . 10253 1 662 . 1 1 56 56 ILE CG1 C 13 27.404 0.300 . 1 . . . . 56 ILE CG1 . 10253 1 663 . 1 1 56 56 ILE CG2 C 13 17.933 0.300 . 1 . . . . 56 ILE CG2 . 10253 1 664 . 1 1 56 56 ILE N N 15 120.430 0.300 . 1 . . . . 56 ILE N . 10253 1 665 . 1 1 57 57 LEU H H 1 9.263 0.030 . 1 . . . . 57 LEU H . 10253 1 666 . 1 1 57 57 LEU HA H 1 4.343 0.030 . 1 . . . . 57 LEU HA . 10253 1 667 . 1 1 57 57 LEU HB2 H 1 1.553 0.030 . 1 . . . . 57 LEU HB2 . 10253 1 668 . 1 1 57 57 LEU HB3 H 1 1.553 0.030 . 1 . . . . 57 LEU HB3 . 10253 1 669 . 1 1 57 57 LEU HD11 H 1 0.811 0.030 . 1 . . . . 57 LEU HD1 . 10253 1 670 . 1 1 57 57 LEU HD12 H 1 0.811 0.030 . 1 . . . . 57 LEU HD1 . 10253 1 671 . 1 1 57 57 LEU HD13 H 1 0.811 0.030 . 1 . . . . 57 LEU HD1 . 10253 1 672 . 1 1 57 57 LEU HD21 H 1 0.853 0.030 . 1 . . . . 57 LEU HD2 . 10253 1 673 . 1 1 57 57 LEU HD22 H 1 0.853 0.030 . 1 . . . . 57 LEU HD2 . 10253 1 674 . 1 1 57 57 LEU HD23 H 1 0.853 0.030 . 1 . . . . 57 LEU HD2 . 10253 1 675 . 1 1 57 57 LEU HG H 1 1.693 0.030 . 1 . . . . 57 LEU HG . 10253 1 676 . 1 1 57 57 LEU C C 13 177.898 0.300 . 1 . . . . 57 LEU C . 10253 1 677 . 1 1 57 57 LEU CA C 13 56.569 0.300 . 1 . . . . 57 LEU CA . 10253 1 678 . 1 1 57 57 LEU CB C 13 41.980 0.300 . 1 . . . . 57 LEU CB . 10253 1 679 . 1 1 57 57 LEU CD1 C 13 25.320 0.300 . 2 . . . . 57 LEU CD1 . 10253 1 680 . 1 1 57 57 LEU CD2 C 13 22.525 0.300 . 2 . . . . 57 LEU CD2 . 10253 1 681 . 1 1 57 57 LEU CG C 13 27.623 0.300 . 1 . . . . 57 LEU CG . 10253 1 682 . 1 1 57 57 LEU N N 15 129.464 0.300 . 1 . . . . 57 LEU N . 10253 1 683 . 1 1 58 58 THR H H 1 7.414 0.030 . 1 . . . . 58 THR H . 10253 1 684 . 1 1 58 58 THR HA H 1 4.512 0.030 . 1 . . . . 58 THR HA . 10253 1 685 . 1 1 58 58 THR HB H 1 4.203 0.030 . 1 . . . . 58 THR HB . 10253 1 686 . 1 1 58 58 THR HG21 H 1 1.093 0.030 . 1 . . . . 58 THR HG2 . 10253 1 687 . 1 1 58 58 THR HG22 H 1 1.093 0.030 . 1 . . . . 58 THR HG2 . 10253 1 688 . 1 1 58 58 THR HG23 H 1 1.093 0.030 . 1 . . . . 58 THR HG2 . 10253 1 689 . 1 1 58 58 THR C C 13 171.314 0.300 . 1 . . . . 58 THR C . 10253 1 690 . 1 1 58 58 THR CA C 13 60.562 0.300 . 1 . . . . 58 THR CA . 10253 1 691 . 1 1 58 58 THR CB C 13 70.803 0.300 . 1 . . . . 58 THR CB . 10253 1 692 . 1 1 58 58 THR CG2 C 13 21.209 0.300 . 1 . . . . 58 THR CG2 . 10253 1 693 . 1 1 58 58 THR N N 15 109.129 0.300 . 1 . . . . 58 THR N . 10253 1 694 . 1 1 59 59 VAL H H 1 8.152 0.030 . 1 . . . . 59 VAL H . 10253 1 695 . 1 1 59 59 VAL HA H 1 5.061 0.030 . 1 . . . . 59 VAL HA . 10253 1 696 . 1 1 59 59 VAL HB H 1 1.893 0.030 . 1 . . . . 59 VAL HB . 10253 1 697 . 1 1 59 59 VAL HG11 H 1 0.990 0.030 . 1 . . . . 59 VAL HG1 . 10253 1 698 . 1 1 59 59 VAL HG12 H 1 0.990 0.030 . 1 . . . . 59 VAL HG1 . 10253 1 699 . 1 1 59 59 VAL HG13 H 1 0.990 0.030 . 1 . . . . 59 VAL HG1 . 10253 1 700 . 1 1 59 59 VAL HG21 H 1 0.983 0.030 . 1 . . . . 59 VAL HG2 . 10253 1 701 . 1 1 59 59 VAL HG22 H 1 0.983 0.030 . 1 . . . . 59 VAL HG2 . 10253 1 702 . 1 1 59 59 VAL HG23 H 1 0.983 0.030 . 1 . . . . 59 VAL HG2 . 10253 1 703 . 1 1 59 59 VAL C C 13 174.985 0.300 . 1 . . . . 59 VAL C . 10253 1 704 . 1 1 59 59 VAL CA C 13 61.354 0.300 . 1 . . . . 59 VAL CA . 10253 1 705 . 1 1 59 59 VAL CB C 13 33.855 0.300 . 1 . . . . 59 VAL CB . 10253 1 706 . 1 1 59 59 VAL CG1 C 13 21.703 0.300 . 2 . . . . 59 VAL CG1 . 10253 1 707 . 1 1 59 59 VAL CG2 C 13 22.643 0.300 . 2 . . . . 59 VAL CG2 . 10253 1 708 . 1 1 59 59 VAL N N 15 123.676 0.300 . 1 . . . . 59 VAL N . 10253 1 709 . 1 1 60 60 GLU H H 1 9.074 0.030 . 1 . . . . 60 GLU H . 10253 1 710 . 1 1 60 60 GLU HA H 1 4.977 0.030 . 1 . . . . 60 GLU HA . 10253 1 711 . 1 1 60 60 GLU HB2 H 1 2.203 0.030 . 2 . . . . 60 GLU HB2 . 10253 1 712 . 1 1 60 60 GLU HB3 H 1 1.743 0.030 . 2 . . . . 60 GLU HB3 . 10253 1 713 . 1 1 60 60 GLU HG2 H 1 2.343 0.030 . 2 . . . . 60 GLU HG2 . 10253 1 714 . 1 1 60 60 GLU HG3 H 1 2.166 0.030 . 2 . . . . 60 GLU HG3 . 10253 1 715 . 1 1 60 60 GLU C C 13 176.063 0.300 . 1 . . . . 60 GLU C . 10253 1 716 . 1 1 60 60 GLU CA C 13 53.807 0.300 . 1 . . . . 60 GLU CA . 10253 1 717 . 1 1 60 60 GLU CB C 13 33.739 0.300 . 1 . . . . 60 GLU CB . 10253 1 718 . 1 1 60 60 GLU CG C 13 35.149 0.300 . 1 . . . . 60 GLU CG . 10253 1 719 . 1 1 60 60 GLU N N 15 125.125 0.300 . 1 . . . . 60 GLU N . 10253 1 720 . 1 1 61 61 SER H H 1 8.763 0.030 . 1 . . . . 61 SER H . 10253 1 721 . 1 1 61 61 SER HA H 1 4.452 0.030 . 1 . . . . 61 SER HA . 10253 1 722 . 1 1 61 61 SER HB2 H 1 4.052 0.030 . 2 . . . . 61 SER HB2 . 10253 1 723 . 1 1 61 61 SER HB3 H 1 3.913 0.030 . 2 . . . . 61 SER HB3 . 10253 1 724 . 1 1 61 61 SER C C 13 173.288 0.300 . 1 . . . . 61 SER C . 10253 1 725 . 1 1 61 61 SER CA C 13 59.384 0.300 . 1 . . . . 61 SER CA . 10253 1 726 . 1 1 61 61 SER CB C 13 63.390 0.300 . 1 . . . . 61 SER CB . 10253 1 727 . 1 1 61 61 SER N N 15 117.523 0.300 . 1 . . . . 61 SER N . 10253 1 728 . 1 1 62 62 ALA H H 1 7.293 0.030 . 1 . . . . 62 ALA H . 10253 1 729 . 1 1 62 62 ALA HA H 1 3.817 0.030 . 1 . . . . 62 ALA HA . 10253 1 730 . 1 1 62 62 ALA HB1 H 1 0.652 0.030 . 1 . . . . 62 ALA HB . 10253 1 731 . 1 1 62 62 ALA HB2 H 1 0.652 0.030 . 1 . . . . 62 ALA HB . 10253 1 732 . 1 1 62 62 ALA HB3 H 1 0.652 0.030 . 1 . . . . 62 ALA HB . 10253 1 733 . 1 1 62 62 ALA C C 13 176.717 0.300 . 1 . . . . 62 ALA C . 10253 1 734 . 1 1 62 62 ALA CA C 13 53.966 0.300 . 1 . . . . 62 ALA CA . 10253 1 735 . 1 1 62 62 ALA CB C 13 18.640 0.300 . 1 . . . . 62 ALA CB . 10253 1 736 . 1 1 62 62 ALA N N 15 122.650 0.300 . 1 . . . . 62 ALA N . 10253 1 737 . 1 1 63 63 GLN H H 1 8.736 0.030 . 1 . . . . 63 GLN H . 10253 1 738 . 1 1 63 63 GLN HA H 1 4.445 0.030 . 1 . . . . 63 GLN HA . 10253 1 739 . 1 1 63 63 GLN HB2 H 1 2.055 0.030 . 1 . . . . 63 GLN HB2 . 10253 1 740 . 1 1 63 63 GLN HB3 H 1 2.055 0.030 . 1 . . . . 63 GLN HB3 . 10253 1 741 . 1 1 63 63 GLN HE21 H 1 6.839 0.030 . 2 . . . . 63 GLN HE21 . 10253 1 742 . 1 1 63 63 GLN HE22 H 1 7.773 0.030 . 2 . . . . 63 GLN HE22 . 10253 1 743 . 1 1 63 63 GLN HG2 H 1 2.374 0.030 . 2 . . . . 63 GLN HG2 . 10253 1 744 . 1 1 63 63 GLN HG3 H 1 2.328 0.030 . 2 . . . . 63 GLN HG3 . 10253 1 745 . 1 1 63 63 GLN C C 13 173.700 0.300 . 1 . . . . 63 GLN C . 10253 1 746 . 1 1 63 63 GLN CA C 13 56.376 0.300 . 1 . . . . 63 GLN CA . 10253 1 747 . 1 1 63 63 GLN CB C 13 31.515 0.300 . 1 . . . . 63 GLN CB . 10253 1 748 . 1 1 63 63 GLN CG C 13 32.885 0.300 . 1 . . . . 63 GLN CG . 10253 1 749 . 1 1 63 63 GLN N N 15 120.251 0.300 . 1 . . . . 63 GLN N . 10253 1 750 . 1 1 63 63 GLN NE2 N 15 112.930 0.300 . 1 . . . . 63 GLN NE2 . 10253 1 751 . 1 1 64 64 ASN H H 1 9.272 0.030 . 1 . . . . 64 ASN H . 10253 1 752 . 1 1 64 64 ASN HA H 1 4.906 0.030 . 1 . . . . 64 ASN HA . 10253 1 753 . 1 1 64 64 ASN HB2 H 1 3.311 0.030 . 2 . . . . 64 ASN HB2 . 10253 1 754 . 1 1 64 64 ASN HB3 H 1 2.893 0.030 . 2 . . . . 64 ASN HB3 . 10253 1 755 . 1 1 64 64 ASN HD21 H 1 8.087 0.030 . 2 . . . . 64 ASN HD21 . 10253 1 756 . 1 1 64 64 ASN HD22 H 1 6.889 0.030 . 2 . . . . 64 ASN HD22 . 10253 1 757 . 1 1 64 64 ASN C C 13 174.754 0.300 . 1 . . . . 64 ASN C . 10253 1 758 . 1 1 64 64 ASN CA C 13 51.837 0.300 . 1 . . . . 64 ASN CA . 10253 1 759 . 1 1 64 64 ASN CB C 13 38.156 0.300 . 1 . . . . 64 ASN CB . 10253 1 760 . 1 1 64 64 ASN N N 15 122.346 0.300 . 1 . . . . 64 ASN N . 10253 1 761 . 1 1 64 64 ASN ND2 N 15 110.842 0.300 . 1 . . . . 64 ASN ND2 . 10253 1 762 . 1 1 65 65 PHE H H 1 8.854 0.030 . 1 . . . . 65 PHE H . 10253 1 763 . 1 1 65 65 PHE HA H 1 4.947 0.030 . 1 . . . . 65 PHE HA . 10253 1 764 . 1 1 65 65 PHE HB2 H 1 3.563 0.030 . 2 . . . . 65 PHE HB2 . 10253 1 765 . 1 1 65 65 PHE HB3 H 1 2.733 0.030 . 2 . . . . 65 PHE HB3 . 10253 1 766 . 1 1 65 65 PHE HD1 H 1 7.333 0.030 . 1 . . . . 65 PHE HD1 . 10253 1 767 . 1 1 65 65 PHE HD2 H 1 7.333 0.030 . 1 . . . . 65 PHE HD2 . 10253 1 768 . 1 1 65 65 PHE HE1 H 1 7.086 0.030 . 1 . . . . 65 PHE HE1 . 10253 1 769 . 1 1 65 65 PHE HE2 H 1 7.086 0.030 . 1 . . . . 65 PHE HE2 . 10253 1 770 . 1 1 65 65 PHE HZ H 1 6.964 0.030 . 1 . . . . 65 PHE HZ . 10253 1 771 . 1 1 65 65 PHE C C 13 177.274 0.300 . 1 . . . . 65 PHE C . 10253 1 772 . 1 1 65 65 PHE CA C 13 57.519 0.300 . 1 . . . . 65 PHE CA . 10253 1 773 . 1 1 65 65 PHE CB C 13 38.485 0.300 . 1 . . . . 65 PHE CB . 10253 1 774 . 1 1 65 65 PHE CD1 C 13 132.185 0.300 . 1 . . . . 65 PHE CD1 . 10253 1 775 . 1 1 65 65 PHE CD2 C 13 132.185 0.300 . 1 . . . . 65 PHE CD2 . 10253 1 776 . 1 1 65 65 PHE CE1 C 13 131.149 0.300 . 1 . . . . 65 PHE CE1 . 10253 1 777 . 1 1 65 65 PHE CE2 C 13 131.149 0.300 . 1 . . . . 65 PHE CE2 . 10253 1 778 . 1 1 65 65 PHE CZ C 13 129.440 0.300 . 1 . . . . 65 PHE CZ . 10253 1 779 . 1 1 65 65 PHE N N 15 123.638 0.300 . 1 . . . . 65 PHE N . 10253 1 780 . 1 1 66 66 SER H H 1 8.163 0.030 . 1 . . . . 66 SER H . 10253 1 781 . 1 1 66 66 SER HA H 1 4.393 0.030 . 1 . . . . 66 SER HA . 10253 1 782 . 1 1 66 66 SER HB2 H 1 4.063 0.030 . 1 . . . . 66 SER HB2 . 10253 1 783 . 1 1 66 66 SER HB3 H 1 4.063 0.030 . 1 . . . . 66 SER HB3 . 10253 1 784 . 1 1 66 66 SER C C 13 175.699 0.300 . 1 . . . . 66 SER C . 10253 1 785 . 1 1 66 66 SER CA C 13 60.791 0.300 . 1 . . . . 66 SER CA . 10253 1 786 . 1 1 66 66 SER CB C 13 64.591 0.300 . 1 . . . . 66 SER CB . 10253 1 787 . 1 1 66 66 SER N N 15 113.913 0.300 . 1 . . . . 66 SER N . 10253 1 788 . 1 1 67 67 LEU H H 1 8.574 0.030 . 1 . . . . 67 LEU H . 10253 1 789 . 1 1 67 67 LEU HA H 1 4.302 0.030 . 1 . . . . 67 LEU HA . 10253 1 790 . 1 1 67 67 LEU HB2 H 1 1.473 0.030 . 2 . . . . 67 LEU HB2 . 10253 1 791 . 1 1 67 67 LEU HB3 H 1 1.542 0.030 . 2 . . . . 67 LEU HB3 . 10253 1 792 . 1 1 67 67 LEU HD11 H 1 0.788 0.030 . 1 . . . . 67 LEU HD1 . 10253 1 793 . 1 1 67 67 LEU HD12 H 1 0.788 0.030 . 1 . . . . 67 LEU HD1 . 10253 1 794 . 1 1 67 67 LEU HD13 H 1 0.788 0.030 . 1 . . . . 67 LEU HD1 . 10253 1 795 . 1 1 67 67 LEU HD21 H 1 0.823 0.030 . 1 . . . . 67 LEU HD2 . 10253 1 796 . 1 1 67 67 LEU HD22 H 1 0.823 0.030 . 1 . . . . 67 LEU HD2 . 10253 1 797 . 1 1 67 67 LEU HD23 H 1 0.823 0.030 . 1 . . . . 67 LEU HD2 . 10253 1 798 . 1 1 67 67 LEU HG H 1 1.532 0.030 . 1 . . . . 67 LEU HG . 10253 1 799 . 1 1 67 67 LEU C C 13 176.269 0.300 . 1 . . . . 67 LEU C . 10253 1 800 . 1 1 67 67 LEU CA C 13 55.601 0.300 . 1 . . . . 67 LEU CA . 10253 1 801 . 1 1 67 67 LEU CB C 13 42.021 0.300 . 1 . . . . 67 LEU CB . 10253 1 802 . 1 1 67 67 LEU CD1 C 13 26.183 0.300 . 2 . . . . 67 LEU CD1 . 10253 1 803 . 1 1 67 67 LEU CD2 C 13 22.936 0.300 . 2 . . . . 67 LEU CD2 . 10253 1 804 . 1 1 67 67 LEU CG C 13 27.307 0.300 . 1 . . . . 67 LEU CG . 10253 1 805 . 1 1 67 67 LEU N N 15 121.264 0.300 . 1 . . . . 67 LEU N . 10253 1 806 . 1 1 68 68 VAL H H 1 6.921 0.030 . 1 . . . . 68 VAL H . 10253 1 807 . 1 1 68 68 VAL HA H 1 4.473 0.030 . 1 . . . . 68 VAL HA . 10253 1 808 . 1 1 68 68 VAL HB H 1 2.143 0.030 . 1 . . . . 68 VAL HB . 10253 1 809 . 1 1 68 68 VAL HG11 H 1 0.455 0.030 . 1 . . . . 68 VAL HG1 . 10253 1 810 . 1 1 68 68 VAL HG12 H 1 0.455 0.030 . 1 . . . . 68 VAL HG1 . 10253 1 811 . 1 1 68 68 VAL HG13 H 1 0.455 0.030 . 1 . . . . 68 VAL HG1 . 10253 1 812 . 1 1 68 68 VAL HG21 H 1 0.913 0.030 . 1 . . . . 68 VAL HG2 . 10253 1 813 . 1 1 68 68 VAL HG22 H 1 0.913 0.030 . 1 . . . . 68 VAL HG2 . 10253 1 814 . 1 1 68 68 VAL HG23 H 1 0.913 0.030 . 1 . . . . 68 VAL HG2 . 10253 1 815 . 1 1 68 68 VAL C C 13 173.809 0.300 . 1 . . . . 68 VAL C . 10253 1 816 . 1 1 68 68 VAL CA C 13 58.047 0.300 . 1 . . . . 68 VAL CA . 10253 1 817 . 1 1 68 68 VAL CB C 13 32.295 0.300 . 1 . . . . 68 VAL CB . 10253 1 818 . 1 1 68 68 VAL CG1 C 13 21.943 0.300 . 2 . . . . 68 VAL CG1 . 10253 1 819 . 1 1 68 68 VAL CG2 C 13 18.636 0.300 . 2 . . . . 68 VAL CG2 . 10253 1 820 . 1 1 68 68 VAL N N 15 111.287 0.300 . 1 . . . . 68 VAL N . 10253 1 821 . 1 1 69 69 PRO HA H 1 4.658 0.030 . 1 . . . . 69 PRO HA . 10253 1 822 . 1 1 69 69 PRO HB2 H 1 1.723 0.030 . 2 . . . . 69 PRO HB2 . 10253 1 823 . 1 1 69 69 PRO HB3 H 1 2.392 0.030 . 2 . . . . 69 PRO HB3 . 10253 1 824 . 1 1 69 69 PRO HD2 H 1 3.700 0.030 . 2 . . . . 69 PRO HD2 . 10253 1 825 . 1 1 69 69 PRO HD3 H 1 3.433 0.030 . 2 . . . . 69 PRO HD3 . 10253 1 826 . 1 1 69 69 PRO HG2 H 1 1.923 0.030 . 1 . . . . 69 PRO HG2 . 10253 1 827 . 1 1 69 69 PRO HG3 H 1 1.923 0.030 . 1 . . . . 69 PRO HG3 . 10253 1 828 . 1 1 69 69 PRO CA C 13 61.747 0.300 . 1 . . . . 69 PRO CA . 10253 1 829 . 1 1 69 69 PRO CB C 13 30.693 0.300 . 1 . . . . 69 PRO CB . 10253 1 830 . 1 1 69 69 PRO CD C 13 50.576 0.300 . 1 . . . . 69 PRO CD . 10253 1 831 . 1 1 69 69 PRO CG C 13 27.604 0.300 . 1 . . . . 69 PRO CG . 10253 1 832 . 1 1 70 70 PRO HA H 1 4.414 0.030 . 1 . . . . 70 PRO HA . 10253 1 833 . 1 1 70 70 PRO HB2 H 1 2.362 0.030 . 2 . . . . 70 PRO HB2 . 10253 1 834 . 1 1 70 70 PRO HB3 H 1 1.898 0.030 . 2 . . . . 70 PRO HB3 . 10253 1 835 . 1 1 70 70 PRO HD2 H 1 3.633 0.030 . 2 . . . . 70 PRO HD2 . 10253 1 836 . 1 1 70 70 PRO HD3 H 1 3.915 0.030 . 2 . . . . 70 PRO HD3 . 10253 1 837 . 1 1 70 70 PRO HG2 H 1 2.130 0.030 . 2 . . . . 70 PRO HG2 . 10253 1 838 . 1 1 70 70 PRO HG3 H 1 2.073 0.030 . 2 . . . . 70 PRO HG3 . 10253 1 839 . 1 1 70 70 PRO CA C 13 63.997 0.300 . 1 . . . . 70 PRO CA . 10253 1 840 . 1 1 70 70 PRO CB C 13 31.602 0.300 . 1 . . . . 70 PRO CB . 10253 1 841 . 1 1 70 70 PRO CD C 13 50.974 0.300 . 1 . . . . 70 PRO CD . 10253 1 842 . 1 1 70 70 PRO CG C 13 27.665 0.300 . 1 . . . . 70 PRO CG . 10253 1 843 . 1 1 71 71 GLY H H 1 8.824 0.030 . 1 . . . . 71 GLY H . 10253 1 844 . 1 1 71 71 GLY HA2 H 1 3.703 0.030 . 2 . . . . 71 GLY HA2 . 10253 1 845 . 1 1 71 71 GLY HA3 H 1 4.193 0.030 . 2 . . . . 71 GLY HA3 . 10253 1 846 . 1 1 71 71 GLY C C 13 174.052 0.300 . 1 . . . . 71 GLY C . 10253 1 847 . 1 1 71 71 GLY CA C 13 45.065 0.300 . 1 . . . . 71 GLY CA . 10253 1 848 . 1 1 71 71 GLY N N 15 111.845 0.300 . 1 . . . . 71 GLY N . 10253 1 849 . 1 1 72 72 THR H H 1 7.597 0.030 . 1 . . . . 72 THR H . 10253 1 850 . 1 1 72 72 THR HA H 1 4.133 0.030 . 1 . . . . 72 THR HA . 10253 1 851 . 1 1 72 72 THR HB H 1 3.974 0.030 . 1 . . . . 72 THR HB . 10253 1 852 . 1 1 72 72 THR HG21 H 1 1.204 0.030 . 1 . . . . 72 THR HG2 . 10253 1 853 . 1 1 72 72 THR HG22 H 1 1.204 0.030 . 1 . . . . 72 THR HG2 . 10253 1 854 . 1 1 72 72 THR HG23 H 1 1.204 0.030 . 1 . . . . 72 THR HG2 . 10253 1 855 . 1 1 72 72 THR CA C 13 63.129 0.300 . 1 . . . . 72 THR CA . 10253 1 856 . 1 1 72 72 THR CB C 13 69.560 0.300 . 1 . . . . 72 THR CB . 10253 1 857 . 1 1 72 72 THR CG2 C 13 21.233 0.300 . 1 . . . . 72 THR CG2 . 10253 1 858 . 1 1 72 72 THR N N 15 117.485 0.300 . 1 . . . . 72 THR N . 10253 1 859 . 1 1 73 73 ASN H H 1 9.280 0.030 . 1 . . . . 73 ASN H . 10253 1 860 . 1 1 73 73 ASN HA H 1 4.786 0.030 . 1 . . . . 73 ASN HA . 10253 1 861 . 1 1 73 73 ASN HB2 H 1 2.789 0.030 . 2 . . . . 73 ASN HB2 . 10253 1 862 . 1 1 73 73 ASN HB3 H 1 2.953 0.030 . 2 . . . . 73 ASN HB3 . 10253 1 863 . 1 1 73 73 ASN HD21 H 1 7.153 0.030 . 2 . . . . 73 ASN HD21 . 10253 1 864 . 1 1 73 73 ASN HD22 H 1 8.393 0.030 . 2 . . . . 73 ASN HD22 . 10253 1 865 . 1 1 73 73 ASN CA C 13 52.009 0.300 . 1 . . . . 73 ASN CA . 10253 1 866 . 1 1 73 73 ASN CB C 13 37.553 0.300 . 1 . . . . 73 ASN CB . 10253 1 867 . 1 1 73 73 ASN N N 15 127.641 0.300 . 1 . . . . 73 ASN N . 10253 1 868 . 1 1 73 73 ASN ND2 N 15 113.832 0.300 . 1 . . . . 73 ASN ND2 . 10253 1 869 . 1 1 74 74 PRO HA H 1 4.752 0.030 . 1 . . . . 74 PRO HA . 10253 1 870 . 1 1 74 74 PRO HB2 H 1 2.306 0.030 . 2 . . . . 74 PRO HB2 . 10253 1 871 . 1 1 74 74 PRO HB3 H 1 2.133 0.030 . 2 . . . . 74 PRO HB3 . 10253 1 872 . 1 1 74 74 PRO HD2 H 1 3.871 0.030 . 1 . . . . 74 PRO HD2 . 10253 1 873 . 1 1 74 74 PRO HD3 H 1 3.871 0.030 . 1 . . . . 74 PRO HD3 . 10253 1 874 . 1 1 74 74 PRO HG2 H 1 1.982 0.030 . 1 . . . . 74 PRO HG2 . 10253 1 875 . 1 1 74 74 PRO HG3 H 1 1.982 0.030 . 1 . . . . 74 PRO HG3 . 10253 1 876 . 1 1 74 74 PRO C C 13 175.190 0.300 . 1 . . . . 74 PRO C . 10253 1 877 . 1 1 74 74 PRO CA C 13 63.395 0.300 . 1 . . . . 74 PRO CA . 10253 1 878 . 1 1 74 74 PRO CB C 13 33.164 0.300 . 1 . . . . 74 PRO CB . 10253 1 879 . 1 1 74 74 PRO CD C 13 51.038 0.300 . 1 . . . . 74 PRO CD . 10253 1 880 . 1 1 74 74 PRO CG C 13 27.294 0.300 . 1 . . . . 74 PRO CG . 10253 1 881 . 1 1 75 75 HIS H H 1 8.025 0.030 . 1 . . . . 75 HIS H . 10253 1 882 . 1 1 75 75 HIS HA H 1 5.047 0.030 . 1 . . . . 75 HIS HA . 10253 1 883 . 1 1 75 75 HIS HB2 H 1 3.073 0.030 . 2 . . . . 75 HIS HB2 . 10253 1 884 . 1 1 75 75 HIS HB3 H 1 2.910 0.030 . 2 . . . . 75 HIS HB3 . 10253 1 885 . 1 1 75 75 HIS HD2 H 1 6.813 0.030 . 1 . . . . 75 HIS HD2 . 10253 1 886 . 1 1 75 75 HIS HE1 H 1 7.365 0.030 . 1 . . . . 75 HIS HE1 . 10253 1 887 . 1 1 75 75 HIS C C 13 172.562 0.300 . 1 . . . . 75 HIS C . 10253 1 888 . 1 1 75 75 HIS CA C 13 54.336 0.300 . 1 . . . . 75 HIS CA . 10253 1 889 . 1 1 75 75 HIS CB C 13 30.956 0.300 . 1 . . . . 75 HIS CB . 10253 1 890 . 1 1 75 75 HIS CD2 C 13 116.599 0.300 . 1 . . . . 75 HIS CD2 . 10253 1 891 . 1 1 75 75 HIS CE1 C 13 142.401 0.300 . 1 . . . . 75 HIS CE1 . 10253 1 892 . 1 1 75 75 HIS N N 15 116.198 0.300 . 1 . . . . 75 HIS N . 10253 1 893 . 1 1 76 76 CYS H H 1 8.343 0.030 . 1 . . . . 76 CYS H . 10253 1 894 . 1 1 76 76 CYS HA H 1 4.594 0.030 . 1 . . . . 76 CYS HA . 10253 1 895 . 1 1 76 76 CYS HB2 H 1 3.483 0.030 . 2 . . . . 76 CYS HB2 . 10253 1 896 . 1 1 76 76 CYS HB3 H 1 2.939 0.030 . 2 . . . . 76 CYS HB3 . 10253 1 897 . 1 1 76 76 CYS C C 13 175.651 0.300 . 1 . . . . 76 CYS C . 10253 1 898 . 1 1 76 76 CYS CA C 13 61.066 0.300 . 1 . . . . 76 CYS CA . 10253 1 899 . 1 1 76 76 CYS CB C 13 30.193 0.300 . 1 . . . . 76 CYS CB . 10253 1 900 . 1 1 76 76 CYS N N 15 113.289 0.300 . 1 . . . . 76 CYS N . 10253 1 901 . 1 1 77 77 PHE H H 1 8.433 0.030 . 1 . . . . 77 PHE H . 10253 1 902 . 1 1 77 77 PHE HA H 1 5.105 0.030 . 1 . . . . 77 PHE HA . 10253 1 903 . 1 1 77 77 PHE HB2 H 1 3.233 0.030 . 2 . . . . 77 PHE HB2 . 10253 1 904 . 1 1 77 77 PHE HB3 H 1 3.392 0.030 . 2 . . . . 77 PHE HB3 . 10253 1 905 . 1 1 77 77 PHE HD1 H 1 7.083 0.030 . 1 . . . . 77 PHE HD1 . 10253 1 906 . 1 1 77 77 PHE HD2 H 1 7.083 0.030 . 1 . . . . 77 PHE HD2 . 10253 1 907 . 1 1 77 77 PHE HE1 H 1 7.233 0.030 . 1 . . . . 77 PHE HE1 . 10253 1 908 . 1 1 77 77 PHE HE2 H 1 7.233 0.030 . 1 . . . . 77 PHE HE2 . 10253 1 909 . 1 1 77 77 PHE HZ H 1 6.990 0.030 . 1 . . . . 77 PHE HZ . 10253 1 910 . 1 1 77 77 PHE C C 13 171.822 0.300 . 1 . . . . 77 PHE C . 10253 1 911 . 1 1 77 77 PHE CA C 13 56.874 0.300 . 1 . . . . 77 PHE CA . 10253 1 912 . 1 1 77 77 PHE CB C 13 39.393 0.300 . 1 . . . . 77 PHE CB . 10253 1 913 . 1 1 77 77 PHE CD1 C 13 133.102 0.300 . 1 . . . . 77 PHE CD1 . 10253 1 914 . 1 1 77 77 PHE CD2 C 13 133.102 0.300 . 1 . . . . 77 PHE CD2 . 10253 1 915 . 1 1 77 77 PHE CE1 C 13 130.890 0.300 . 1 . . . . 77 PHE CE1 . 10253 1 916 . 1 1 77 77 PHE CE2 C 13 130.890 0.300 . 1 . . . . 77 PHE CE2 . 10253 1 917 . 1 1 77 77 PHE CZ C 13 128.966 0.300 . 1 . . . . 77 PHE CZ . 10253 1 918 . 1 1 77 77 PHE N N 15 114.874 0.300 . 1 . . . . 77 PHE N . 10253 1 919 . 1 1 78 78 GLU H H 1 9.823 0.030 . 1 . . . . 78 GLU H . 10253 1 920 . 1 1 78 78 GLU HA H 1 5.333 0.030 . 1 . . . . 78 GLU HA . 10253 1 921 . 1 1 78 78 GLU HB2 H 1 1.673 0.030 . 2 . . . . 78 GLU HB2 . 10253 1 922 . 1 1 78 78 GLU HB3 H 1 1.407 0.030 . 2 . . . . 78 GLU HB3 . 10253 1 923 . 1 1 78 78 GLU HG2 H 1 1.992 0.030 . 1 . . . . 78 GLU HG2 . 10253 1 924 . 1 1 78 78 GLU HG3 H 1 1.992 0.030 . 1 . . . . 78 GLU HG3 . 10253 1 925 . 1 1 78 78 GLU C C 13 175.602 0.300 . 1 . . . . 78 GLU C . 10253 1 926 . 1 1 78 78 GLU CA C 13 54.212 0.300 . 1 . . . . 78 GLU CA . 10253 1 927 . 1 1 78 78 GLU CB C 13 31.702 0.300 . 1 . . . . 78 GLU CB . 10253 1 928 . 1 1 78 78 GLU CG C 13 37.243 0.300 . 1 . . . . 78 GLU CG . 10253 1 929 . 1 1 78 78 GLU N N 15 121.074 0.300 . 1 . . . . 78 GLU N . 10253 1 930 . 1 1 79 79 ILE H H 1 9.093 0.030 . 1 . . . . 79 ILE H . 10253 1 931 . 1 1 79 79 ILE HA H 1 4.637 0.030 . 1 . . . . 79 ILE HA . 10253 1 932 . 1 1 79 79 ILE HB H 1 2.024 0.030 . 1 . . . . 79 ILE HB . 10253 1 933 . 1 1 79 79 ILE HD11 H 1 1.012 0.030 . 1 . . . . 79 ILE HD1 . 10253 1 934 . 1 1 79 79 ILE HD12 H 1 1.012 0.030 . 1 . . . . 79 ILE HD1 . 10253 1 935 . 1 1 79 79 ILE HD13 H 1 1.012 0.030 . 1 . . . . 79 ILE HD1 . 10253 1 936 . 1 1 79 79 ILE HG12 H 1 1.143 0.030 . 2 . . . . 79 ILE HG12 . 10253 1 937 . 1 1 79 79 ILE HG13 H 1 1.953 0.030 . 2 . . . . 79 ILE HG13 . 10253 1 938 . 1 1 79 79 ILE HG21 H 1 0.933 0.030 . 1 . . . . 79 ILE HG2 . 10253 1 939 . 1 1 79 79 ILE HG22 H 1 0.933 0.030 . 1 . . . . 79 ILE HG2 . 10253 1 940 . 1 1 79 79 ILE HG23 H 1 0.933 0.030 . 1 . . . . 79 ILE HG2 . 10253 1 941 . 1 1 79 79 ILE C C 13 174.476 0.300 . 1 . . . . 79 ILE C . 10253 1 942 . 1 1 79 79 ILE CA C 13 60.932 0.300 . 1 . . . . 79 ILE CA . 10253 1 943 . 1 1 79 79 ILE CB C 13 40.803 0.300 . 1 . . . . 79 ILE CB . 10253 1 944 . 1 1 79 79 ILE CD1 C 13 14.303 0.300 . 1 . . . . 79 ILE CD1 . 10253 1 945 . 1 1 79 79 ILE CG1 C 13 27.317 0.300 . 1 . . . . 79 ILE CG1 . 10253 1 946 . 1 1 79 79 ILE CG2 C 13 18.660 0.300 . 1 . . . . 79 ILE CG2 . 10253 1 947 . 1 1 79 79 ILE N N 15 121.382 0.300 . 1 . . . . 79 ILE N . 10253 1 948 . 1 1 80 80 VAL H H 1 8.841 0.030 . 1 . . . . 80 VAL H . 10253 1 949 . 1 1 80 80 VAL HA H 1 4.425 0.030 . 1 . . . . 80 VAL HA . 10253 1 950 . 1 1 80 80 VAL HB H 1 2.187 0.030 . 1 . . . . 80 VAL HB . 10253 1 951 . 1 1 80 80 VAL HG11 H 1 0.882 0.030 . 1 . . . . 80 VAL HG1 . 10253 1 952 . 1 1 80 80 VAL HG12 H 1 0.882 0.030 . 1 . . . . 80 VAL HG1 . 10253 1 953 . 1 1 80 80 VAL HG13 H 1 0.882 0.030 . 1 . . . . 80 VAL HG1 . 10253 1 954 . 1 1 80 80 VAL HG21 H 1 0.904 0.030 . 1 . . . . 80 VAL HG2 . 10253 1 955 . 1 1 80 80 VAL HG22 H 1 0.904 0.030 . 1 . . . . 80 VAL HG2 . 10253 1 956 . 1 1 80 80 VAL HG23 H 1 0.904 0.030 . 1 . . . . 80 VAL HG2 . 10253 1 957 . 1 1 80 80 VAL C C 13 175.930 0.300 . 1 . . . . 80 VAL C . 10253 1 958 . 1 1 80 80 VAL CA C 13 63.324 0.300 . 1 . . . . 80 VAL CA . 10253 1 959 . 1 1 80 80 VAL CB C 13 32.783 0.300 . 1 . . . . 80 VAL CB . 10253 1 960 . 1 1 80 80 VAL CG1 C 13 21.045 0.300 . 2 . . . . 80 VAL CG1 . 10253 1 961 . 1 1 80 80 VAL CG2 C 13 21.045 0.300 . 2 . . . . 80 VAL CG2 . 10253 1 962 . 1 1 80 80 VAL N N 15 128.970 0.300 . 1 . . . . 80 VAL N . 10253 1 963 . 1 1 81 81 THR H H 1 8.303 0.030 . 1 . . . . 81 THR H . 10253 1 964 . 1 1 81 81 THR HA H 1 5.264 0.030 . 1 . . . . 81 THR HA . 10253 1 965 . 1 1 81 81 THR HB H 1 4.653 0.030 . 1 . . . . 81 THR HB . 10253 1 966 . 1 1 81 81 THR HG21 H 1 1.283 0.030 . 1 . . . . 81 THR HG2 . 10253 1 967 . 1 1 81 81 THR HG22 H 1 1.283 0.030 . 1 . . . . 81 THR HG2 . 10253 1 968 . 1 1 81 81 THR HG23 H 1 1.283 0.030 . 1 . . . . 81 THR HG2 . 10253 1 969 . 1 1 81 81 THR C C 13 173.664 0.300 . 1 . . . . 81 THR C . 10253 1 970 . 1 1 81 81 THR CA C 13 59.540 0.300 . 1 . . . . 81 THR CA . 10253 1 971 . 1 1 81 81 THR CB C 13 72.197 0.300 . 1 . . . . 81 THR CB . 10253 1 972 . 1 1 81 81 THR CG2 C 13 21.703 0.300 . 1 . . . . 81 THR CG2 . 10253 1 973 . 1 1 81 81 THR N N 15 118.077 0.300 . 1 . . . . 81 THR N . 10253 1 974 . 1 1 82 82 ALA H H 1 9.586 0.030 . 1 . . . . 82 ALA H . 10253 1 975 . 1 1 82 82 ALA HA H 1 4.093 0.030 . 1 . . . . 82 ALA HA . 10253 1 976 . 1 1 82 82 ALA HB1 H 1 1.463 0.030 . 1 . . . . 82 ALA HB . 10253 1 977 . 1 1 82 82 ALA HB2 H 1 1.463 0.030 . 1 . . . . 82 ALA HB . 10253 1 978 . 1 1 82 82 ALA HB3 H 1 1.463 0.030 . 1 . . . . 82 ALA HB . 10253 1 979 . 1 1 82 82 ALA C C 13 178.667 0.300 . 1 . . . . 82 ALA C . 10253 1 980 . 1 1 82 82 ALA CA C 13 55.321 0.300 . 1 . . . . 82 ALA CA . 10253 1 981 . 1 1 82 82 ALA CB C 13 18.094 0.300 . 1 . . . . 82 ALA CB . 10253 1 982 . 1 1 82 82 ALA N N 15 122.493 0.300 . 1 . . . . 82 ALA N . 10253 1 983 . 1 1 83 83 ASN H H 1 7.923 0.030 . 1 . . . . 83 ASN H . 10253 1 984 . 1 1 83 83 ASN HA H 1 4.808 0.030 . 1 . . . . 83 ASN HA . 10253 1 985 . 1 1 83 83 ASN HB2 H 1 2.810 0.030 . 2 . . . . 83 ASN HB2 . 10253 1 986 . 1 1 83 83 ASN HB3 H 1 2.735 0.030 . 2 . . . . 83 ASN HB3 . 10253 1 987 . 1 1 83 83 ASN HD21 H 1 7.677 0.030 . 2 . . . . 83 ASN HD21 . 10253 1 988 . 1 1 83 83 ASN HD22 H 1 7.013 0.030 . 2 . . . . 83 ASN HD22 . 10253 1 989 . 1 1 83 83 ASN C C 13 174.766 0.300 . 1 . . . . 83 ASN C . 10253 1 990 . 1 1 83 83 ASN CA C 13 53.333 0.300 . 1 . . . . 83 ASN CA . 10253 1 991 . 1 1 83 83 ASN CB C 13 40.335 0.300 . 1 . . . . 83 ASN CB . 10253 1 992 . 1 1 83 83 ASN N N 15 110.765 0.300 . 1 . . . . 83 ASN N . 10253 1 993 . 1 1 83 83 ASN ND2 N 15 113.916 0.300 . 1 . . . . 83 ASN ND2 . 10253 1 994 . 1 1 84 84 ALA H H 1 7.352 0.030 . 1 . . . . 84 ALA H . 10253 1 995 . 1 1 84 84 ALA HA H 1 4.625 0.030 . 1 . . . . 84 ALA HA . 10253 1 996 . 1 1 84 84 ALA HB1 H 1 1.040 0.030 . 1 . . . . 84 ALA HB . 10253 1 997 . 1 1 84 84 ALA HB2 H 1 1.040 0.030 . 1 . . . . 84 ALA HB . 10253 1 998 . 1 1 84 84 ALA HB3 H 1 1.040 0.030 . 1 . . . . 84 ALA HB . 10253 1 999 . 1 1 84 84 ALA C C 13 176.547 0.300 . 1 . . . . 84 ALA C . 10253 1 1000 . 1 1 84 84 ALA CA C 13 52.858 0.300 . 1 . . . . 84 ALA CA . 10253 1 1001 . 1 1 84 84 ALA CB C 13 21.233 0.300 . 1 . . . . 84 ALA CB . 10253 1 1002 . 1 1 84 84 ALA N N 15 119.599 0.300 . 1 . . . . 84 ALA N . 10253 1 1003 . 1 1 85 85 THR H H 1 8.374 0.030 . 1 . . . . 85 THR H . 10253 1 1004 . 1 1 85 85 THR HA H 1 5.014 0.030 . 1 . . . . 85 THR HA . 10253 1 1005 . 1 1 85 85 THR HB H 1 3.563 0.030 . 1 . . . . 85 THR HB . 10253 1 1006 . 1 1 85 85 THR HG21 H 1 0.342 0.030 . 1 . . . . 85 THR HG2 . 10253 1 1007 . 1 1 85 85 THR HG22 H 1 0.342 0.030 . 1 . . . . 85 THR HG2 . 10253 1 1008 . 1 1 85 85 THR HG23 H 1 0.342 0.030 . 1 . . . . 85 THR HG2 . 10253 1 1009 . 1 1 85 85 THR C C 13 171.568 0.300 . 1 . . . . 85 THR C . 10253 1 1010 . 1 1 85 85 THR CA C 13 61.618 0.300 . 1 . . . . 85 THR CA . 10253 1 1011 . 1 1 85 85 THR CB C 13 70.850 0.300 . 1 . . . . 85 THR CB . 10253 1 1012 . 1 1 85 85 THR CG2 C 13 21.867 0.300 . 1 . . . . 85 THR CG2 . 10253 1 1013 . 1 1 85 85 THR N N 15 119.032 0.300 . 1 . . . . 85 THR N . 10253 1 1014 . 1 1 86 86 TYR H H 1 9.006 0.030 . 1 . . . . 86 TYR H . 10253 1 1015 . 1 1 86 86 TYR HA H 1 4.658 0.030 . 1 . . . . 86 TYR HA . 10253 1 1016 . 1 1 86 86 TYR HB2 H 1 2.713 0.030 . 2 . . . . 86 TYR HB2 . 10253 1 1017 . 1 1 86 86 TYR HB3 H 1 2.553 0.030 . 2 . . . . 86 TYR HB3 . 10253 1 1018 . 1 1 86 86 TYR HD1 H 1 6.918 0.030 . 1 . . . . 86 TYR HD1 . 10253 1 1019 . 1 1 86 86 TYR HD2 H 1 6.918 0.030 . 1 . . . . 86 TYR HD2 . 10253 1 1020 . 1 1 86 86 TYR HE1 H 1 6.557 0.030 . 1 . . . . 86 TYR HE1 . 10253 1 1021 . 1 1 86 86 TYR HE2 H 1 6.557 0.030 . 1 . . . . 86 TYR HE2 . 10253 1 1022 . 1 1 86 86 TYR C C 13 173.773 0.300 . 1 . . . . 86 TYR C . 10253 1 1023 . 1 1 86 86 TYR CA C 13 56.938 0.300 . 1 . . . . 86 TYR CA . 10253 1 1024 . 1 1 86 86 TYR CB C 13 39.513 0.300 . 1 . . . . 86 TYR CB . 10253 1 1025 . 1 1 86 86 TYR CD1 C 13 132.564 0.300 . 1 . . . . 86 TYR CD1 . 10253 1 1026 . 1 1 86 86 TYR CD2 C 13 132.564 0.300 . 1 . . . . 86 TYR CD2 . 10253 1 1027 . 1 1 86 86 TYR CE1 C 13 117.176 0.300 . 1 . . . . 86 TYR CE1 . 10253 1 1028 . 1 1 86 86 TYR CE2 C 13 117.176 0.300 . 1 . . . . 86 TYR CE2 . 10253 1 1029 . 1 1 86 86 TYR N N 15 123.494 0.300 . 1 . . . . 86 TYR N . 10253 1 1030 . 1 1 87 87 PHE H H 1 9.263 0.030 . 1 . . . . 87 PHE H . 10253 1 1031 . 1 1 87 87 PHE HA H 1 4.127 0.030 . 1 . . . . 87 PHE HA . 10253 1 1032 . 1 1 87 87 PHE HB2 H 1 1.242 0.030 . 2 . . . . 87 PHE HB2 . 10253 1 1033 . 1 1 87 87 PHE HB3 H 1 0.953 0.030 . 2 . . . . 87 PHE HB3 . 10253 1 1034 . 1 1 87 87 PHE HD1 H 1 5.912 0.030 . 1 . . . . 87 PHE HD1 . 10253 1 1035 . 1 1 87 87 PHE HD2 H 1 5.912 0.030 . 1 . . . . 87 PHE HD2 . 10253 1 1036 . 1 1 87 87 PHE HE1 H 1 6.983 0.030 . 1 . . . . 87 PHE HE1 . 10253 1 1037 . 1 1 87 87 PHE HE2 H 1 6.983 0.030 . 1 . . . . 87 PHE HE2 . 10253 1 1038 . 1 1 87 87 PHE HZ H 1 6.987 0.030 . 1 . . . . 87 PHE HZ . 10253 1 1039 . 1 1 87 87 PHE C C 13 176.369 0.300 . 1 . . . . 87 PHE C . 10253 1 1040 . 1 1 87 87 PHE CA C 13 57.238 0.300 . 1 . . . . 87 PHE CA . 10253 1 1041 . 1 1 87 87 PHE CB C 13 37.086 0.300 . 1 . . . . 87 PHE CB . 10253 1 1042 . 1 1 87 87 PHE CD1 C 13 131.946 0.300 . 1 . . . . 87 PHE CD1 . 10253 1 1043 . 1 1 87 87 PHE CD2 C 13 131.946 0.300 . 1 . . . . 87 PHE CD2 . 10253 1 1044 . 1 1 87 87 PHE CE1 C 13 129.987 0.300 . 1 . . . . 87 PHE CE1 . 10253 1 1045 . 1 1 87 87 PHE CE2 C 13 129.987 0.300 . 1 . . . . 87 PHE CE2 . 10253 1 1046 . 1 1 87 87 PHE CZ C 13 129.783 0.300 . 1 . . . . 87 PHE CZ . 10253 1 1047 . 1 1 87 87 PHE N N 15 125.384 0.300 . 1 . . . . 87 PHE N . 10253 1 1048 . 1 1 88 88 VAL H H 1 9.023 0.030 . 1 . . . . 88 VAL H . 10253 1 1049 . 1 1 88 88 VAL HA H 1 4.162 0.030 . 1 . . . . 88 VAL HA . 10253 1 1050 . 1 1 88 88 VAL HB H 1 0.145 0.030 . 1 . . . . 88 VAL HB . 10253 1 1051 . 1 1 88 88 VAL HG11 H 1 0.274 0.030 . 1 . . . . 88 VAL HG1 . 10253 1 1052 . 1 1 88 88 VAL HG12 H 1 0.274 0.030 . 1 . . . . 88 VAL HG1 . 10253 1 1053 . 1 1 88 88 VAL HG13 H 1 0.274 0.030 . 1 . . . . 88 VAL HG1 . 10253 1 1054 . 1 1 88 88 VAL HG21 H 1 0.562 0.030 . 1 . . . . 88 VAL HG2 . 10253 1 1055 . 1 1 88 88 VAL HG22 H 1 0.562 0.030 . 1 . . . . 88 VAL HG2 . 10253 1 1056 . 1 1 88 88 VAL HG23 H 1 0.562 0.030 . 1 . . . . 88 VAL HG2 . 10253 1 1057 . 1 1 88 88 VAL C C 13 176.390 0.300 . 1 . . . . 88 VAL C . 10253 1 1058 . 1 1 88 88 VAL CA C 13 63.975 0.300 . 1 . . . . 88 VAL CA . 10253 1 1059 . 1 1 88 88 VAL CB C 13 32.378 0.300 . 1 . . . . 88 VAL CB . 10253 1 1060 . 1 1 88 88 VAL CG1 C 13 24.533 0.300 . 2 . . . . 88 VAL CG1 . 10253 1 1061 . 1 1 88 88 VAL CG2 C 13 21.703 0.300 . 2 . . . . 88 VAL CG2 . 10253 1 1062 . 1 1 88 88 VAL N N 15 127.348 0.300 . 1 . . . . 88 VAL N . 10253 1 1063 . 1 1 89 89 GLY H H 1 9.233 0.030 . 1 . . . . 89 GLY H . 10253 1 1064 . 1 1 89 89 GLY HA2 H 1 4.293 0.030 . 2 . . . . 89 GLY HA2 . 10253 1 1065 . 1 1 89 89 GLY HA3 H 1 4.186 0.030 . 2 . . . . 89 GLY HA3 . 10253 1 1066 . 1 1 89 89 GLY C C 13 172.378 0.300 . 1 . . . . 89 GLY C . 10253 1 1067 . 1 1 89 89 GLY CA C 13 43.798 0.300 . 1 . . . . 89 GLY CA . 10253 1 1068 . 1 1 89 89 GLY N N 15 116.041 0.300 . 1 . . . . 89 GLY N . 10253 1 1069 . 1 1 90 90 GLU H H 1 8.532 0.030 . 1 . . . . 90 GLU H . 10253 1 1070 . 1 1 90 90 GLU HA H 1 4.794 0.030 . 1 . . . . 90 GLU HA . 10253 1 1071 . 1 1 90 90 GLU HB2 H 1 1.769 0.030 . 2 . . . . 90 GLU HB2 . 10253 1 1072 . 1 1 90 90 GLU HB3 H 1 1.811 0.030 . 2 . . . . 90 GLU HB3 . 10253 1 1073 . 1 1 90 90 GLU HG2 H 1 1.951 0.030 . 1 . . . . 90 GLU HG2 . 10253 1 1074 . 1 1 90 90 GLU HG3 H 1 1.951 0.030 . 1 . . . . 90 GLU HG3 . 10253 1 1075 . 1 1 90 90 GLU C C 13 174.221 0.300 . 1 . . . . 90 GLU C . 10253 1 1076 . 1 1 90 90 GLU CA C 13 56.393 0.300 . 1 . . . . 90 GLU CA . 10253 1 1077 . 1 1 90 90 GLU CB C 13 33.182 0.300 . 1 . . . . 90 GLU CB . 10253 1 1078 . 1 1 90 90 GLU CG C 13 36.680 0.300 . 1 . . . . 90 GLU CG . 10253 1 1079 . 1 1 90 90 GLU N N 15 120.905 0.300 . 1 . . . . 90 GLU N . 10253 1 1080 . 1 1 91 91 MET H H 1 8.450 0.030 . 1 . . . . 91 MET H . 10253 1 1081 . 1 1 91 91 MET HA H 1 4.904 0.030 . 1 . . . . 91 MET HA . 10253 1 1082 . 1 1 91 91 MET HB2 H 1 1.853 0.030 . 2 . . . . 91 MET HB2 . 10253 1 1083 . 1 1 91 91 MET HB3 H 1 2.042 0.030 . 2 . . . . 91 MET HB3 . 10253 1 1084 . 1 1 91 91 MET HE1 H 1 2.174 0.030 . 1 . . . . 91 MET HE . 10253 1 1085 . 1 1 91 91 MET HE2 H 1 2.174 0.030 . 1 . . . . 91 MET HE . 10253 1 1086 . 1 1 91 91 MET HE3 H 1 2.174 0.030 . 1 . . . . 91 MET HE . 10253 1 1087 . 1 1 91 91 MET HG2 H 1 2.493 0.030 . 2 . . . . 91 MET HG2 . 10253 1 1088 . 1 1 91 91 MET HG3 H 1 2.396 0.030 . 2 . . . . 91 MET HG3 . 10253 1 1089 . 1 1 91 91 MET C C 13 173.373 0.300 . 1 . . . . 91 MET C . 10253 1 1090 . 1 1 91 91 MET CA C 13 52.277 0.300 . 1 . . . . 91 MET CA . 10253 1 1091 . 1 1 91 91 MET CB C 13 32.789 0.300 . 1 . . . . 91 MET CB . 10253 1 1092 . 1 1 91 91 MET CE C 13 17.351 0.300 . 1 . . . . 91 MET CE . 10253 1 1093 . 1 1 91 91 MET CG C 13 32.083 0.300 . 1 . . . . 91 MET CG . 10253 1 1094 . 1 1 91 91 MET N N 15 125.173 0.300 . 1 . . . . 91 MET N . 10253 1 1095 . 1 1 92 92 PRO HA H 1 4.358 0.030 . 1 . . . . 92 PRO HA . 10253 1 1096 . 1 1 92 92 PRO HB2 H 1 2.309 0.030 . 2 . . . . 92 PRO HB2 . 10253 1 1097 . 1 1 92 92 PRO HB3 H 1 1.993 0.030 . 2 . . . . 92 PRO HB3 . 10253 1 1098 . 1 1 92 92 PRO HD2 H 1 3.833 0.030 . 2 . . . . 92 PRO HD2 . 10253 1 1099 . 1 1 92 92 PRO HD3 H 1 3.764 0.030 . 2 . . . . 92 PRO HD3 . 10253 1 1100 . 1 1 92 92 PRO HG2 H 1 1.973 0.030 . 2 . . . . 92 PRO HG2 . 10253 1 1101 . 1 1 92 92 PRO HG3 H 1 2.113 0.030 . 2 . . . . 92 PRO HG3 . 10253 1 1102 . 1 1 92 92 PRO C C 13 177.589 0.300 . 1 . . . . 92 PRO C . 10253 1 1103 . 1 1 92 92 PRO CA C 13 63.143 0.300 . 1 . . . . 92 PRO CA . 10253 1 1104 . 1 1 92 92 PRO CB C 13 32.083 0.300 . 1 . . . . 92 PRO CB . 10253 1 1105 . 1 1 92 92 PRO CD C 13 50.645 0.300 . 1 . . . . 92 PRO CD . 10253 1 1106 . 1 1 92 92 PRO CG C 13 27.623 0.300 . 1 . . . . 92 PRO CG . 10253 1 1107 . 1 1 93 93 GLY H H 1 8.330 0.030 . 1 . . . . 93 GLY H . 10253 1 1108 . 1 1 93 93 GLY HA2 H 1 3.943 0.030 . 2 . . . . 93 GLY HA2 . 10253 1 1109 . 1 1 93 93 GLY HA3 H 1 4.045 0.030 . 2 . . . . 93 GLY HA3 . 10253 1 1110 . 1 1 93 93 GLY C C 13 174.730 0.300 . 1 . . . . 93 GLY C . 10253 1 1111 . 1 1 93 93 GLY CA C 13 45.276 0.300 . 1 . . . . 93 GLY CA . 10253 1 1112 . 1 1 93 93 GLY N N 15 109.420 0.300 . 1 . . . . 93 GLY N . 10253 1 1113 . 1 1 94 94 GLY H H 1 8.331 0.030 . 1 . . . . 94 GLY H . 10253 1 1114 . 1 1 94 94 GLY HA2 H 1 3.973 0.030 . 1 . . . . 94 GLY HA2 . 10253 1 1115 . 1 1 94 94 GLY HA3 H 1 3.973 0.030 . 1 . . . . 94 GLY HA3 . 10253 1 1116 . 1 1 94 94 GLY C C 13 174.100 0.300 . 1 . . . . 94 GLY C . 10253 1 1117 . 1 1 94 94 GLY CA C 13 45.333 0.300 . 1 . . . . 94 GLY CA . 10253 1 1118 . 1 1 94 94 GLY N N 15 108.483 0.300 . 1 . . . . 94 GLY N . 10253 1 1119 . 1 1 95 95 THR H H 1 8.095 0.030 . 1 . . . . 95 THR H . 10253 1 1120 . 1 1 95 95 THR HA H 1 4.643 0.030 . 1 . . . . 95 THR HA . 10253 1 1121 . 1 1 95 95 THR HB H 1 4.172 0.030 . 1 . . . . 95 THR HB . 10253 1 1122 . 1 1 95 95 THR HG21 H 1 1.233 0.030 . 1 . . . . 95 THR HG2 . 10253 1 1123 . 1 1 95 95 THR HG22 H 1 1.233 0.030 . 1 . . . . 95 THR HG2 . 10253 1 1124 . 1 1 95 95 THR HG23 H 1 1.233 0.030 . 1 . . . . 95 THR HG2 . 10253 1 1125 . 1 1 95 95 THR C C 13 173.155 0.300 . 1 . . . . 95 THR C . 10253 1 1126 . 1 1 95 95 THR CA C 13 59.922 0.300 . 1 . . . . 95 THR CA . 10253 1 1127 . 1 1 95 95 THR CB C 13 69.871 0.300 . 1 . . . . 95 THR CB . 10253 1 1128 . 1 1 95 95 THR CG2 C 13 21.405 0.300 . 1 . . . . 95 THR CG2 . 10253 1 1129 . 1 1 95 95 THR N N 15 115.860 0.300 . 1 . . . . 95 THR N . 10253 1 1130 . 1 1 96 96 PRO HA H 1 4.400 0.030 . 1 . . . . 96 PRO HA . 10253 1 1131 . 1 1 96 96 PRO HB2 H 1 2.221 0.030 . 2 . . . . 96 PRO HB2 . 10253 1 1132 . 1 1 96 96 PRO HB3 H 1 1.926 0.030 . 2 . . . . 96 PRO HB3 . 10253 1 1133 . 1 1 96 96 PRO HD2 H 1 3.893 0.030 . 2 . . . . 96 PRO HD2 . 10253 1 1134 . 1 1 96 96 PRO HD3 H 1 3.723 0.030 . 2 . . . . 96 PRO HD3 . 10253 1 1135 . 1 1 96 96 PRO HG2 H 1 2.073 0.030 . 1 . . . . 96 PRO HG2 . 10253 1 1136 . 1 1 96 96 PRO HG3 H 1 2.073 0.030 . 1 . . . . 96 PRO HG3 . 10253 1 1137 . 1 1 96 96 PRO C C 13 177.565 0.300 . 1 . . . . 96 PRO C . 10253 1 1138 . 1 1 96 96 PRO CA C 13 64.047 0.300 . 1 . . . . 96 PRO CA . 10253 1 1139 . 1 1 96 96 PRO CB C 13 31.816 0.300 . 1 . . . . 96 PRO CB . 10253 1 1140 . 1 1 96 96 PRO CD C 13 51.138 0.300 . 1 . . . . 96 PRO CD . 10253 1 1141 . 1 1 96 96 PRO CG C 13 27.623 0.300 . 1 . . . . 96 PRO CG . 10253 1 1142 . 1 1 97 97 GLY H H 1 8.572 0.030 . 1 . . . . 97 GLY H . 10253 1 1143 . 1 1 97 97 GLY HA2 H 1 4.007 0.030 . 1 . . . . 97 GLY HA2 . 10253 1 1144 . 1 1 97 97 GLY HA3 H 1 4.007 0.030 . 1 . . . . 97 GLY HA3 . 10253 1 1145 . 1 1 97 97 GLY C C 13 174.609 0.300 . 1 . . . . 97 GLY C . 10253 1 1146 . 1 1 97 97 GLY CA C 13 45.276 0.300 . 1 . . . . 97 GLY CA . 10253 1 1147 . 1 1 97 97 GLY N N 15 110.233 0.300 . 1 . . . . 97 GLY N . 10253 1 1148 . 1 1 98 98 GLY H H 1 8.119 0.030 . 1 . . . . 98 GLY H . 10253 1 1149 . 1 1 98 98 GLY HA2 H 1 4.086 0.030 . 2 . . . . 98 GLY HA2 . 10253 1 1150 . 1 1 98 98 GLY HA3 H 1 4.200 0.030 . 2 . . . . 98 GLY HA3 . 10253 1 1151 . 1 1 98 98 GLY CA C 13 44.876 0.300 . 1 . . . . 98 GLY CA . 10253 1 1152 . 1 1 98 98 GLY N N 15 108.845 0.300 . 1 . . . . 98 GLY N . 10253 1 1153 . 1 1 99 99 PRO HA H 1 4.494 0.030 . 1 . . . . 99 PRO HA . 10253 1 1154 . 1 1 99 99 PRO HB2 H 1 2.323 0.030 . 2 . . . . 99 PRO HB2 . 10253 1 1155 . 1 1 99 99 PRO HB3 H 1 1.992 0.030 . 2 . . . . 99 PRO HB3 . 10253 1 1156 . 1 1 99 99 PRO HD2 H 1 3.683 0.030 . 1 . . . . 99 PRO HD2 . 10253 1 1157 . 1 1 99 99 PRO HD3 H 1 3.683 0.030 . 1 . . . . 99 PRO HD3 . 10253 1 1158 . 1 1 99 99 PRO HG2 H 1 2.044 0.030 . 1 . . . . 99 PRO HG2 . 10253 1 1159 . 1 1 99 99 PRO HG3 H 1 2.044 0.030 . 1 . . . . 99 PRO HG3 . 10253 1 1160 . 1 1 99 99 PRO C C 13 177.468 0.300 . 1 . . . . 99 PRO C . 10253 1 1161 . 1 1 99 99 PRO CA C 13 63.500 0.300 . 1 . . . . 99 PRO CA . 10253 1 1162 . 1 1 99 99 PRO CB C 13 32.013 0.300 . 1 . . . . 99 PRO CB . 10253 1 1163 . 1 1 99 99 PRO CD C 13 50.069 0.300 . 1 . . . . 99 PRO CD . 10253 1 1164 . 1 1 99 99 PRO CG C 13 27.363 0.300 . 1 . . . . 99 PRO CG . 10253 1 1165 . 1 1 100 100 SER H H 1 8.472 0.030 . 1 . . . . 100 SER H . 10253 1 1166 . 1 1 100 100 SER HA H 1 4.513 0.030 . 1 . . . . 100 SER HA . 10253 1 1167 . 1 1 100 100 SER HB2 H 1 3.953 0.030 . 1 . . . . 100 SER HB2 . 10253 1 1168 . 1 1 100 100 SER HB3 H 1 3.953 0.030 . 1 . . . . 100 SER HB3 . 10253 1 1169 . 1 1 100 100 SER C C 13 175.408 0.300 . 1 . . . . 100 SER C . 10253 1 1170 . 1 1 100 100 SER CA C 13 58.557 0.300 . 1 . . . . 100 SER CA . 10253 1 1171 . 1 1 100 100 SER CB C 13 63.918 0.300 . 1 . . . . 100 SER CB . 10253 1 1172 . 1 1 100 100 SER N N 15 116.038 0.300 . 1 . . . . 100 SER N . 10253 1 1173 . 1 1 101 101 GLY H H 1 8.427 0.030 . 1 . . . . 101 GLY H . 10253 1 1174 . 1 1 101 101 GLY HA2 H 1 4.064 0.030 . 1 . . . . 101 GLY HA2 . 10253 1 1175 . 1 1 101 101 GLY HA3 H 1 4.064 0.030 . 1 . . . . 101 GLY HA3 . 10253 1 1176 . 1 1 101 101 GLY C C 13 174.730 0.300 . 1 . . . . 101 GLY C . 10253 1 1177 . 1 1 101 101 GLY CA C 13 45.575 0.300 . 1 . . . . 101 GLY CA . 10253 1 1178 . 1 1 101 101 GLY N N 15 110.558 0.300 . 1 . . . . 101 GLY N . 10253 1 1179 . 1 1 102 102 GLN H H 1 8.416 0.030 . 1 . . . . 102 GLN H . 10253 1 1180 . 1 1 102 102 GLN HA H 1 4.383 0.030 . 1 . . . . 102 GLN HA . 10253 1 1181 . 1 1 102 102 GLN HB2 H 1 2.083 0.030 . 2 . . . . 102 GLN HB2 . 10253 1 1182 . 1 1 102 102 GLN HB3 H 1 2.213 0.030 . 2 . . . . 102 GLN HB3 . 10253 1 1183 . 1 1 102 102 GLN HE21 H 1 6.895 0.030 . 2 . . . . 102 GLN HE21 . 10253 1 1184 . 1 1 102 102 GLN HE22 H 1 7.593 0.030 . 2 . . . . 102 GLN HE22 . 10253 1 1185 . 1 1 102 102 GLN HG2 H 1 2.453 0.030 . 1 . . . . 102 GLN HG2 . 10253 1 1186 . 1 1 102 102 GLN HG3 H 1 2.453 0.030 . 1 . . . . 102 GLN HG3 . 10253 1 1187 . 1 1 102 102 GLN C C 13 177.346 0.300 . 1 . . . . 102 GLN C . 10253 1 1188 . 1 1 102 102 GLN CA C 13 57.080 0.300 . 1 . . . . 102 GLN CA . 10253 1 1189 . 1 1 102 102 GLN CB C 13 29.235 0.300 . 1 . . . . 102 GLN CB . 10253 1 1190 . 1 1 102 102 GLN CG C 13 34.036 0.300 . 1 . . . . 102 GLN CG . 10253 1 1191 . 1 1 102 102 GLN N N 15 120.112 0.300 . 1 . . . . 102 GLN N . 10253 1 1192 . 1 1 102 102 GLN NE2 N 15 112.335 0.300 . 1 . . . . 102 GLN NE2 . 10253 1 1193 . 1 1 103 103 GLY H H 1 8.713 0.030 . 1 . . . . 103 GLY H . 10253 1 1194 . 1 1 103 103 GLY HA2 H 1 4.193 0.030 . 2 . . . . 103 GLY HA2 . 10253 1 1195 . 1 1 103 103 GLY HA3 H 1 4.078 0.030 . 2 . . . . 103 GLY HA3 . 10253 1 1196 . 1 1 103 103 GLY C C 13 175.602 0.300 . 1 . . . . 103 GLY C . 10253 1 1197 . 1 1 103 103 GLY CA C 13 46.120 0.300 . 1 . . . . 103 GLY CA . 10253 1 1198 . 1 1 103 103 GLY N N 15 109.817 0.300 . 1 . . . . 103 GLY N . 10253 1 1199 . 1 1 104 104 ALA H H 1 8.366 0.030 . 1 . . . . 104 ALA H . 10253 1 1200 . 1 1 104 104 ALA HA H 1 4.449 0.030 . 1 . . . . 104 ALA HA . 10253 1 1201 . 1 1 104 104 ALA HB1 H 1 1.573 0.030 . 1 . . . . 104 ALA HB . 10253 1 1202 . 1 1 104 104 ALA HB2 H 1 1.573 0.030 . 1 . . . . 104 ALA HB . 10253 1 1203 . 1 1 104 104 ALA HB3 H 1 1.573 0.030 . 1 . . . . 104 ALA HB . 10253 1 1204 . 1 1 104 104 ALA C C 13 179.188 0.300 . 1 . . . . 104 ALA C . 10253 1 1205 . 1 1 104 104 ALA CA C 13 54.230 0.300 . 1 . . . . 104 ALA CA . 10253 1 1206 . 1 1 104 104 ALA CB C 13 19.080 0.300 . 1 . . . . 104 ALA CB . 10253 1 1207 . 1 1 104 104 ALA N N 15 124.808 0.300 . 1 . . . . 104 ALA N . 10253 1 1208 . 1 1 105 105 GLU H H 1 8.576 0.030 . 1 . . . . 105 GLU H . 10253 1 1209 . 1 1 105 105 GLU HA H 1 4.161 0.030 . 1 . . . . 105 GLU HA . 10253 1 1210 . 1 1 105 105 GLU HB2 H 1 2.156 0.030 . 1 . . . . 105 GLU HB2 . 10253 1 1211 . 1 1 105 105 GLU HB3 H 1 2.156 0.030 . 1 . . . . 105 GLU HB3 . 10253 1 1212 . 1 1 105 105 GLU HG2 H 1 2.383 0.030 . 1 . . . . 105 GLU HG2 . 10253 1 1213 . 1 1 105 105 GLU HG3 H 1 2.383 0.030 . 1 . . . . 105 GLU HG3 . 10253 1 1214 . 1 1 105 105 GLU C C 13 179.200 0.300 . 1 . . . . 105 GLU C . 10253 1 1215 . 1 1 105 105 GLU CA C 13 59.173 0.300 . 1 . . . . 105 GLU CA . 10253 1 1216 . 1 1 105 105 GLU CB C 13 29.194 0.300 . 1 . . . . 105 GLU CB . 10253 1 1217 . 1 1 105 105 GLU CG C 13 36.420 0.300 . 1 . . . . 105 GLU CG . 10253 1 1218 . 1 1 105 105 GLU N N 15 119.238 0.300 . 1 . . . . 105 GLU N . 10253 1 1219 . 1 1 106 106 ALA H H 1 8.381 0.030 . 1 . . . . 106 ALA H . 10253 1 1220 . 1 1 106 106 ALA HA H 1 4.283 0.030 . 1 . . . . 106 ALA HA . 10253 1 1221 . 1 1 106 106 ALA HB1 H 1 1.665 0.030 . 1 . . . . 106 ALA HB . 10253 1 1222 . 1 1 106 106 ALA HB2 H 1 1.665 0.030 . 1 . . . . 106 ALA HB . 10253 1 1223 . 1 1 106 106 ALA HB3 H 1 1.665 0.030 . 1 . . . . 106 ALA HB . 10253 1 1224 . 1 1 106 106 ALA C C 13 180.048 0.300 . 1 . . . . 106 ALA C . 10253 1 1225 . 1 1 106 106 ALA CA C 13 54.687 0.300 . 1 . . . . 106 ALA CA . 10253 1 1226 . 1 1 106 106 ALA CB C 13 18.341 0.300 . 1 . . . . 106 ALA CB . 10253 1 1227 . 1 1 106 106 ALA N N 15 123.327 0.300 . 1 . . . . 106 ALA N . 10253 1 1228 . 1 1 107 107 ALA H H 1 8.123 0.030 . 1 . . . . 107 ALA H . 10253 1 1229 . 1 1 107 107 ALA HA H 1 4.554 0.030 . 1 . . . . 107 ALA HA . 10253 1 1230 . 1 1 107 107 ALA HB1 H 1 1.797 0.030 . 1 . . . . 107 ALA HB . 10253 1 1231 . 1 1 107 107 ALA HB2 H 1 1.797 0.030 . 1 . . . . 107 ALA HB . 10253 1 1232 . 1 1 107 107 ALA HB3 H 1 1.797 0.030 . 1 . . . . 107 ALA HB . 10253 1 1233 . 1 1 107 107 ALA C C 13 179.757 0.300 . 1 . . . . 107 ALA C . 10253 1 1234 . 1 1 107 107 ALA CA C 13 55.355 0.300 . 1 . . . . 107 ALA CA . 10253 1 1235 . 1 1 107 107 ALA CB C 13 18.939 0.300 . 1 . . . . 107 ALA CB . 10253 1 1236 . 1 1 107 107 ALA N N 15 120.740 0.300 . 1 . . . . 107 ALA N . 10253 1 1237 . 1 1 108 108 ARG H H 1 8.403 0.030 . 1 . . . . 108 ARG H . 10253 1 1238 . 1 1 108 108 ARG HA H 1 4.254 0.030 . 1 . . . . 108 ARG HA . 10253 1 1239 . 1 1 108 108 ARG HB2 H 1 1.996 0.030 . 1 . . . . 108 ARG HB2 . 10253 1 1240 . 1 1 108 108 ARG HB3 H 1 1.996 0.030 . 1 . . . . 108 ARG HB3 . 10253 1 1241 . 1 1 108 108 ARG HD2 H 1 3.262 0.030 . 1 . . . . 108 ARG HD2 . 10253 1 1242 . 1 1 108 108 ARG HD3 H 1 3.262 0.030 . 1 . . . . 108 ARG HD3 . 10253 1 1243 . 1 1 108 108 ARG HG2 H 1 1.846 0.030 . 2 . . . . 108 ARG HG2 . 10253 1 1244 . 1 1 108 108 ARG HG3 H 1 1.744 0.030 . 2 . . . . 108 ARG HG3 . 10253 1 1245 . 1 1 108 108 ARG C C 13 179.111 0.300 . 1 . . . . 108 ARG C . 10253 1 1246 . 1 1 108 108 ARG CA C 13 59.015 0.300 . 1 . . . . 108 ARG CA . 10253 1 1247 . 1 1 108 108 ARG CB C 13 29.752 0.300 . 1 . . . . 108 ARG CB . 10253 1 1248 . 1 1 108 108 ARG CD C 13 43.315 0.300 . 1 . . . . 108 ARG CD . 10253 1 1249 . 1 1 108 108 ARG CG C 13 27.705 0.300 . 1 . . . . 108 ARG CG . 10253 1 1250 . 1 1 108 108 ARG N N 15 119.531 0.300 . 1 . . . . 108 ARG N . 10253 1 1251 . 1 1 109 109 GLY H H 1 8.182 0.030 . 1 . . . . 109 GLY H . 10253 1 1252 . 1 1 109 109 GLY HA2 H 1 3.822 0.030 . 1 . . . . 109 GLY HA2 . 10253 1 1253 . 1 1 109 109 GLY HA3 H 1 3.822 0.030 . 1 . . . . 109 GLY HA3 . 10253 1 1254 . 1 1 109 109 GLY C C 13 177.020 0.300 . 1 . . . . 109 GLY C . 10253 1 1255 . 1 1 109 109 GLY CA C 13 46.718 0.300 . 1 . . . . 109 GLY CA . 10253 1 1256 . 1 1 109 109 GLY N N 15 107.331 0.300 . 1 . . . . 109 GLY N . 10253 1 1257 . 1 1 110 110 TRP H H 1 7.925 0.030 . 1 . . . . 110 TRP H . 10253 1 1258 . 1 1 110 110 TRP HA H 1 3.963 0.030 . 1 . . . . 110 TRP HA . 10253 1 1259 . 1 1 110 110 TRP HB2 H 1 3.633 0.030 . 2 . . . . 110 TRP HB2 . 10253 1 1260 . 1 1 110 110 TRP HB3 H 1 3.293 0.030 . 2 . . . . 110 TRP HB3 . 10253 1 1261 . 1 1 110 110 TRP HD1 H 1 7.373 0.030 . 1 . . . . 110 TRP HD1 . 10253 1 1262 . 1 1 110 110 TRP HE1 H 1 10.523 0.030 . 1 . . . . 110 TRP HE1 . 10253 1 1263 . 1 1 110 110 TRP HE3 H 1 7.609 0.030 . 1 . . . . 110 TRP HE3 . 10253 1 1264 . 1 1 110 110 TRP HH2 H 1 6.923 0.030 . 1 . . . . 110 TRP HH2 . 10253 1 1265 . 1 1 110 110 TRP HZ2 H 1 6.972 0.030 . 1 . . . . 110 TRP HZ2 . 10253 1 1266 . 1 1 110 110 TRP HZ3 H 1 7.092 0.030 . 1 . . . . 110 TRP HZ3 . 10253 1 1267 . 1 1 110 110 TRP C C 13 176.691 0.300 . 1 . . . . 110 TRP C . 10253 1 1268 . 1 1 110 110 TRP CA C 13 62.041 0.300 . 1 . . . . 110 TRP CA . 10253 1 1269 . 1 1 110 110 TRP CB C 13 28.989 0.300 . 1 . . . . 110 TRP CB . 10253 1 1270 . 1 1 110 110 TRP CD1 C 13 126.662 0.300 . 1 . . . . 110 TRP CD1 . 10253 1 1271 . 1 1 110 110 TRP CE3 C 13 118.931 0.300 . 1 . . . . 110 TRP CE3 . 10253 1 1272 . 1 1 110 110 TRP CH2 C 13 125.074 0.300 . 1 . . . . 110 TRP CH2 . 10253 1 1273 . 1 1 110 110 TRP CZ2 C 13 115.272 0.300 . 1 . . . . 110 TRP CZ2 . 10253 1 1274 . 1 1 110 110 TRP CZ3 C 13 121.242 0.300 . 1 . . . . 110 TRP CZ3 . 10253 1 1275 . 1 1 110 110 TRP N N 15 122.304 0.300 . 1 . . . . 110 TRP N . 10253 1 1276 . 1 1 110 110 TRP NE1 N 15 131.483 0.300 . 1 . . . . 110 TRP NE1 . 10253 1 1277 . 1 1 111 111 GLU H H 1 7.946 0.030 . 1 . . . . 111 GLU H . 10253 1 1278 . 1 1 111 111 GLU HA H 1 2.594 0.030 . 1 . . . . 111 GLU HA . 10253 1 1279 . 1 1 111 111 GLU HB2 H 1 1.772 0.030 . 2 . . . . 111 GLU HB2 . 10253 1 1280 . 1 1 111 111 GLU HB3 H 1 1.022 0.030 . 2 . . . . 111 GLU HB3 . 10253 1 1281 . 1 1 111 111 GLU HG2 H 1 1.442 0.030 . 2 . . . . 111 GLU HG2 . 10253 1 1282 . 1 1 111 111 GLU HG3 H 1 1.663 0.030 . 2 . . . . 111 GLU HG3 . 10253 1 1283 . 1 1 111 111 GLU C C 13 177.976 0.300 . 1 . . . . 111 GLU C . 10253 1 1284 . 1 1 111 111 GLU CA C 13 60.193 0.300 . 1 . . . . 111 GLU CA . 10253 1 1285 . 1 1 111 111 GLU CB C 13 29.277 0.300 . 1 . . . . 111 GLU CB . 10253 1 1286 . 1 1 111 111 GLU CG C 13 35.143 0.300 . 1 . . . . 111 GLU CG . 10253 1 1287 . 1 1 111 111 GLU N N 15 121.755 0.300 . 1 . . . . 111 GLU N . 10253 1 1288 . 1 1 112 112 THR H H 1 7.993 0.030 . 1 . . . . 112 THR H . 10253 1 1289 . 1 1 112 112 THR HA H 1 3.722 0.030 . 1 . . . . 112 THR HA . 10253 1 1290 . 1 1 112 112 THR HB H 1 4.063 0.030 . 1 . . . . 112 THR HB . 10253 1 1291 . 1 1 112 112 THR HG21 H 1 1.170 0.030 . 1 . . . . 112 THR HG2 . 10253 1 1292 . 1 1 112 112 THR HG22 H 1 1.170 0.030 . 1 . . . . 112 THR HG2 . 10253 1 1293 . 1 1 112 112 THR HG23 H 1 1.170 0.030 . 1 . . . . 112 THR HG2 . 10253 1 1294 . 1 1 112 112 THR C C 13 176.038 0.300 . 1 . . . . 112 THR C . 10253 1 1295 . 1 1 112 112 THR CA C 13 66.104 0.300 . 1 . . . . 112 THR CA . 10253 1 1296 . 1 1 112 112 THR CB C 13 68.885 0.300 . 1 . . . . 112 THR CB . 10253 1 1297 . 1 1 112 112 THR CG2 C 13 21.703 0.300 . 1 . . . . 112 THR CG2 . 10253 1 1298 . 1 1 112 112 THR N N 15 112.247 0.300 . 1 . . . . 112 THR N . 10253 1 1299 . 1 1 113 113 ALA H H 1 7.742 0.030 . 1 . . . . 113 ALA H . 10253 1 1300 . 1 1 113 113 ALA HA H 1 4.029 0.030 . 1 . . . . 113 ALA HA . 10253 1 1301 . 1 1 113 113 ALA HB1 H 1 1.183 0.030 . 1 . . . . 113 ALA HB . 10253 1 1302 . 1 1 113 113 ALA HB2 H 1 1.183 0.030 . 1 . . . . 113 ALA HB . 10253 1 1303 . 1 1 113 113 ALA HB3 H 1 1.183 0.030 . 1 . . . . 113 ALA HB . 10253 1 1304 . 1 1 113 113 ALA C C 13 180.545 0.300 . 1 . . . . 113 ALA C . 10253 1 1305 . 1 1 113 113 ALA CA C 13 55.127 0.300 . 1 . . . . 113 ALA CA . 10253 1 1306 . 1 1 113 113 ALA CB C 13 18.854 0.300 . 1 . . . . 113 ALA CB . 10253 1 1307 . 1 1 113 113 ALA N N 15 123.134 0.300 . 1 . . . . 113 ALA N . 10253 1 1308 . 1 1 114 114 ILE H H 1 8.472 0.030 . 1 . . . . 114 ILE H . 10253 1 1309 . 1 1 114 114 ILE HA H 1 3.613 0.030 . 1 . . . . 114 ILE HA . 10253 1 1310 . 1 1 114 114 ILE HB H 1 1.863 0.030 . 1 . . . . 114 ILE HB . 10253 1 1311 . 1 1 114 114 ILE HD11 H 1 1.370 0.030 . 1 . . . . 114 ILE HD1 . 10253 1 1312 . 1 1 114 114 ILE HD12 H 1 1.370 0.030 . 1 . . . . 114 ILE HD1 . 10253 1 1313 . 1 1 114 114 ILE HD13 H 1 1.370 0.030 . 1 . . . . 114 ILE HD1 . 10253 1 1314 . 1 1 114 114 ILE HG12 H 1 1.129 0.030 . 2 . . . . 114 ILE HG12 . 10253 1 1315 . 1 1 114 114 ILE HG13 H 1 2.412 0.030 . 2 . . . . 114 ILE HG13 . 10253 1 1316 . 1 1 114 114 ILE HG21 H 1 0.931 0.030 . 1 . . . . 114 ILE HG2 . 10253 1 1317 . 1 1 114 114 ILE HG22 H 1 0.931 0.030 . 1 . . . . 114 ILE HG2 . 10253 1 1318 . 1 1 114 114 ILE HG23 H 1 0.931 0.030 . 1 . . . . 114 ILE HG2 . 10253 1 1319 . 1 1 114 114 ILE C C 13 176.947 0.300 . 1 . . . . 114 ILE C . 10253 1 1320 . 1 1 114 114 ILE CA C 13 66.016 0.300 . 1 . . . . 114 ILE CA . 10253 1 1321 . 1 1 114 114 ILE CB C 13 38.335 0.300 . 1 . . . . 114 ILE CB . 10253 1 1322 . 1 1 114 114 ILE CD1 C 13 15.043 0.300 . 1 . . . . 114 ILE CD1 . 10253 1 1323 . 1 1 114 114 ILE CG1 C 13 30.663 0.300 . 1 . . . . 114 ILE CG1 . 10253 1 1324 . 1 1 114 114 ILE CG2 C 13 17.933 0.300 . 1 . . . . 114 ILE CG2 . 10253 1 1325 . 1 1 114 114 ILE N N 15 118.276 0.300 . 1 . . . . 114 ILE N . 10253 1 1326 . 1 1 115 115 ARG H H 1 8.181 0.030 . 1 . . . . 115 ARG H . 10253 1 1327 . 1 1 115 115 ARG HA H 1 3.835 0.030 . 1 . . . . 115 ARG HA . 10253 1 1328 . 1 1 115 115 ARG HB2 H 1 1.843 0.030 . 2 . . . . 115 ARG HB2 . 10253 1 1329 . 1 1 115 115 ARG HB3 H 1 1.806 0.030 . 2 . . . . 115 ARG HB3 . 10253 1 1330 . 1 1 115 115 ARG HD2 H 1 3.255 0.030 . 2 . . . . 115 ARG HD2 . 10253 1 1331 . 1 1 115 115 ARG HD3 H 1 3.116 0.030 . 2 . . . . 115 ARG HD3 . 10253 1 1332 . 1 1 115 115 ARG HG2 H 1 1.596 0.030 . 2 . . . . 115 ARG HG2 . 10253 1 1333 . 1 1 115 115 ARG HG3 H 1 1.802 0.030 . 2 . . . . 115 ARG HG3 . 10253 1 1334 . 1 1 115 115 ARG C C 13 179.588 0.300 . 1 . . . . 115 ARG C . 10253 1 1335 . 1 1 115 115 ARG CA C 13 61.072 0.300 . 1 . . . . 115 ARG CA . 10253 1 1336 . 1 1 115 115 ARG CB C 13 29.975 0.300 . 1 . . . . 115 ARG CB . 10253 1 1337 . 1 1 115 115 ARG CD C 13 43.327 0.300 . 1 . . . . 115 ARG CD . 10253 1 1338 . 1 1 115 115 ARG CG C 13 29.312 0.300 . 1 . . . . 115 ARG CG . 10253 1 1339 . 1 1 115 115 ARG N N 15 117.921 0.300 . 1 . . . . 115 ARG N . 10253 1 1340 . 1 1 116 116 GLN H H 1 8.395 0.030 . 1 . . . . 116 GLN H . 10253 1 1341 . 1 1 116 116 GLN HA H 1 4.030 0.030 . 1 . . . . 116 GLN HA . 10253 1 1342 . 1 1 116 116 GLN HB2 H 1 2.164 0.030 . 2 . . . . 116 GLN HB2 . 10253 1 1343 . 1 1 116 116 GLN HB3 H 1 2.062 0.030 . 2 . . . . 116 GLN HB3 . 10253 1 1344 . 1 1 116 116 GLN HE21 H 1 6.773 0.030 . 2 . . . . 116 GLN HE21 . 10253 1 1345 . 1 1 116 116 GLN HE22 H 1 7.364 0.030 . 2 . . . . 116 GLN HE22 . 10253 1 1346 . 1 1 116 116 GLN HG2 H 1 2.384 0.030 . 2 . . . . 116 GLN HG2 . 10253 1 1347 . 1 1 116 116 GLN HG3 H 1 2.512 0.030 . 2 . . . . 116 GLN HG3 . 10253 1 1348 . 1 1 116 116 GLN C C 13 178.716 0.300 . 1 . . . . 116 GLN C . 10253 1 1349 . 1 1 116 116 GLN CA C 13 58.790 0.300 . 1 . . . . 116 GLN CA . 10253 1 1350 . 1 1 116 116 GLN CB C 13 28.248 0.300 . 1 . . . . 116 GLN CB . 10253 1 1351 . 1 1 116 116 GLN CG C 13 34.283 0.300 . 1 . . . . 116 GLN CG . 10253 1 1352 . 1 1 116 116 GLN N N 15 116.842 0.300 . 1 . . . . 116 GLN N . 10253 1 1353 . 1 1 116 116 GLN NE2 N 15 111.537 0.300 . 1 . . . . 116 GLN NE2 . 10253 1 1354 . 1 1 117 117 ALA H H 1 7.902 0.030 . 1 . . . . 117 ALA H . 10253 1 1355 . 1 1 117 117 ALA HA H 1 4.143 0.030 . 1 . . . . 117 ALA HA . 10253 1 1356 . 1 1 117 117 ALA HB1 H 1 1.468 0.030 . 1 . . . . 117 ALA HB . 10253 1 1357 . 1 1 117 117 ALA HB2 H 1 1.468 0.030 . 1 . . . . 117 ALA HB . 10253 1 1358 . 1 1 117 117 ALA HB3 H 1 1.468 0.030 . 1 . . . . 117 ALA HB . 10253 1 1359 . 1 1 117 117 ALA C C 13 179.685 0.300 . 1 . . . . 117 ALA C . 10253 1 1360 . 1 1 117 117 ALA CA C 13 54.476 0.300 . 1 . . . . 117 ALA CA . 10253 1 1361 . 1 1 117 117 ALA CB C 13 18.300 0.300 . 1 . . . . 117 ALA CB . 10253 1 1362 . 1 1 117 117 ALA N N 15 122.828 0.300 . 1 . . . . 117 ALA N . 10253 1 1363 . 1 1 118 118 LEU H H 1 7.904 0.030 . 1 . . . . 118 LEU H . 10253 1 1364 . 1 1 118 118 LEU HA H 1 4.119 0.030 . 1 . . . . 118 LEU HA . 10253 1 1365 . 1 1 118 118 LEU HB2 H 1 1.874 0.030 . 2 . . . . 118 LEU HB2 . 10253 1 1366 . 1 1 118 118 LEU HB3 H 1 1.683 0.030 . 2 . . . . 118 LEU HB3 . 10253 1 1367 . 1 1 118 118 LEU HD11 H 1 0.922 0.030 . 1 . . . . 118 LEU HD1 . 10253 1 1368 . 1 1 118 118 LEU HD12 H 1 0.922 0.030 . 1 . . . . 118 LEU HD1 . 10253 1 1369 . 1 1 118 118 LEU HD13 H 1 0.922 0.030 . 1 . . . . 118 LEU HD1 . 10253 1 1370 . 1 1 118 118 LEU HD21 H 1 0.885 0.030 . 1 . . . . 118 LEU HD2 . 10253 1 1371 . 1 1 118 118 LEU HD22 H 1 0.885 0.030 . 1 . . . . 118 LEU HD2 . 10253 1 1372 . 1 1 118 118 LEU HD23 H 1 0.885 0.030 . 1 . . . . 118 LEU HD2 . 10253 1 1373 . 1 1 118 118 LEU HG H 1 1.933 0.030 . 1 . . . . 118 LEU HG . 10253 1 1374 . 1 1 118 118 LEU C C 13 178.437 0.300 . 1 . . . . 118 LEU C . 10253 1 1375 . 1 1 118 118 LEU CA C 13 56.781 0.300 . 1 . . . . 118 LEU CA . 10253 1 1376 . 1 1 118 118 LEU CB C 13 42.371 0.300 . 1 . . . . 118 LEU CB . 10253 1 1377 . 1 1 118 118 LEU CD1 C 13 24.773 0.300 . 2 . . . . 118 LEU CD1 . 10253 1 1378 . 1 1 118 118 LEU CD2 C 13 26.143 0.300 . 2 . . . . 118 LEU CD2 . 10253 1 1379 . 1 1 118 118 LEU CG C 13 26.443 0.300 . 1 . . . . 118 LEU CG . 10253 1 1380 . 1 1 118 118 LEU N N 15 117.632 0.300 . 1 . . . . 118 LEU N . 10253 1 1381 . 1 1 119 119 MET H H 1 7.673 0.030 . 1 . . . . 119 MET H . 10253 1 1382 . 1 1 119 119 MET HA H 1 4.442 0.030 . 1 . . . . 119 MET HA . 10253 1 1383 . 1 1 119 119 MET HB2 H 1 2.223 0.030 . 2 . . . . 119 MET HB2 . 10253 1 1384 . 1 1 119 119 MET HB3 H 1 2.143 0.030 . 2 . . . . 119 MET HB3 . 10253 1 1385 . 1 1 119 119 MET HE1 H 1 2.124 0.030 . 1 . . . . 119 MET HE . 10253 1 1386 . 1 1 119 119 MET HE2 H 1 2.124 0.030 . 1 . . . . 119 MET HE . 10253 1 1387 . 1 1 119 119 MET HE3 H 1 2.124 0.030 . 1 . . . . 119 MET HE . 10253 1 1388 . 1 1 119 119 MET HG2 H 1 2.773 0.030 . 2 . . . . 119 MET HG2 . 10253 1 1389 . 1 1 119 119 MET HG3 H 1 2.655 0.030 . 2 . . . . 119 MET HG3 . 10253 1 1390 . 1 1 119 119 MET C C 13 176.680 0.300 . 1 . . . . 119 MET C . 10253 1 1391 . 1 1 119 119 MET CA C 13 56.432 0.300 . 1 . . . . 119 MET CA . 10253 1 1392 . 1 1 119 119 MET CB C 13 32.769 0.300 . 1 . . . . 119 MET CB . 10253 1 1393 . 1 1 119 119 MET CE C 13 16.908 0.300 . 1 . . . . 119 MET CE . 10253 1 1394 . 1 1 119 119 MET CG C 13 32.083 0.300 . 1 . . . . 119 MET CG . 10253 1 1395 . 1 1 119 119 MET N N 15 117.286 0.300 . 1 . . . . 119 MET N . 10253 1 1396 . 1 1 120 120 SER H H 1 7.878 0.030 . 1 . . . . 120 SER H . 10253 1 1397 . 1 1 120 120 SER HA H 1 4.500 0.030 . 1 . . . . 120 SER HA . 10253 1 1398 . 1 1 120 120 SER HB2 H 1 3.960 0.030 . 1 . . . . 120 SER HB2 . 10253 1 1399 . 1 1 120 120 SER HB3 H 1 3.960 0.030 . 1 . . . . 120 SER HB3 . 10253 1 1400 . 1 1 120 120 SER C C 13 174.742 0.300 . 1 . . . . 120 SER C . 10253 1 1401 . 1 1 120 120 SER CA C 13 58.962 0.300 . 1 . . . . 120 SER CA . 10253 1 1402 . 1 1 120 120 SER CB C 13 63.853 0.300 . 1 . . . . 120 SER CB . 10253 1 1403 . 1 1 120 120 SER N N 15 115.064 0.300 . 1 . . . . 120 SER N . 10253 1 1404 . 1 1 121 121 GLY H H 1 8.059 0.030 . 1 . . . . 121 GLY H . 10253 1 1405 . 1 1 121 121 GLY HA2 H 1 4.231 0.030 . 2 . . . . 121 GLY HA2 . 10253 1 1406 . 1 1 121 121 GLY HA3 H 1 4.112 0.030 . 2 . . . . 121 GLY HA3 . 10253 1 1407 . 1 1 121 121 GLY C C 13 172.065 0.300 . 1 . . . . 121 GLY C . 10253 1 1408 . 1 1 121 121 GLY CA C 13 45.030 0.300 . 1 . . . . 121 GLY CA . 10253 1 1409 . 1 1 121 121 GLY N N 15 110.271 0.300 . 1 . . . . 121 GLY N . 10253 1 1410 . 1 1 122 122 PRO HA H 1 4.496 0.030 . 1 . . . . 122 PRO HA . 10253 1 1411 . 1 1 122 122 PRO HB2 H 1 2.322 0.030 . 1 . . . . 122 PRO HB2 . 10253 1 1412 . 1 1 122 122 PRO HB3 H 1 2.322 0.030 . 1 . . . . 122 PRO HB3 . 10253 1 1413 . 1 1 122 122 PRO HD2 H 1 3.683 0.030 . 1 . . . . 122 PRO HD2 . 10253 1 1414 . 1 1 122 122 PRO HD3 H 1 3.683 0.030 . 1 . . . . 122 PRO HD3 . 10253 1 1415 . 1 1 122 122 PRO HG2 H 1 2.041 0.030 . 1 . . . . 122 PRO HG2 . 10253 1 1416 . 1 1 122 122 PRO HG3 H 1 2.041 0.030 . 1 . . . . 122 PRO HG3 . 10253 1 1417 . 1 1 122 122 PRO CA C 13 63.399 0.300 . 1 . . . . 122 PRO CA . 10253 1 1418 . 1 1 122 122 PRO CB C 13 32.186 0.300 . 1 . . . . 122 PRO CB . 10253 1 1419 . 1 1 122 122 PRO CD C 13 49.956 0.300 . 1 . . . . 122 PRO CD . 10253 1 1420 . 1 1 122 122 PRO CG C 13 27.404 0.300 . 1 . . . . 122 PRO CG . 10253 1 stop_ save_