data_11376 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11376 _Entry.Title ; Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-08 _Entry.Accession_date 2010-09-08 _Entry.Last_release_date 2010-11-30 _Entry.Original_release_date 2010-11-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 M. Takahashi . . . 11376 2 K. Kuwasako . . . 11376 3 C. Abe . . . 11376 4 K. Tsuda . . . 11376 5 M. Inoue . . . 11376 6 T. Terada . . . 11376 7 M. Shirouzu . . . 11376 8 N. Kobayashi . . . 11376 9 T. Kigawa . . . 11376 10 S. Taguchi . . . 11376 11 P. Guntert . . . 11376 12 Y. Hayashizaki . . . 11376 13 A. Tanaka . . . 11376 14 Y. Muto . . . 11376 15 S. Yokoyama . . . 11376 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11376 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11376 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 480 11376 '15N chemical shifts' 109 11376 '1H chemical shifts' 716 11376 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 . . 2010-11-30 2010-09-08 original author . 11376 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11370 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, C terminal truncated' 11376 BMRB 11371 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, D131A mutant' 11376 BMRB 11372 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, K138A mutant' 11376 BMRB 11373 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1, T134A mutant' 11376 BMRB 11374 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 with RNA (CCCCC)' 11376 BMRB 11375 'Assigned chemical shifts of the second RNA recognition motif (RRM) of TIA-1 with RNA (UUUUU)' 11376 PDB 2RNE 'BMRB Entry Tracking System' 11376 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11376 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18500819 _Citation.Full_citation . _Citation.Title 'Solution structure of the second RNA recognition motif (RRM) domain of murine T cell intracellular antigen-1 (TIA-1) and its RNA recognition mode.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 47 _Citation.Journal_issue 24 _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 6437 _Citation.Page_last 6450 _Citation.Year 2008 _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 Kanako Kuwasako . . . 11376 1 2 Mari Takahashi . . . 11376 1 3 Naoya Tochio . . . 11376 1 4 Chikage Abe . . . 11376 1 5 Kengo Tsuda . . . 11376 1 6 Makoto Inoue . . . 11376 1 7 Takaho Terada . . . 11376 1 8 Mikako Shirouzu . . . 11376 1 9 Naohiro Kobayashi . . . 11376 1 10 Takanori Kigawa . . . 11376 1 11 Seiichi Taguchi . . . 11376 1 12 Akiko Tanaka . . . 11376 1 13 Yoshihide Hayashizaki . . . 11376 1 14 Peter Guntert . . . 11376 1 15 Yutaka Muto . . . 11376 1 16 Shigeyuki Yokoyama . . . 11376 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11376 _Assembly.ID 1 _Assembly.Name 'Tia1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RRM domain' 1 $entity_1 A . yes native no no . . . 11376 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 yes PDB 2rne . . . . . . 11376 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11376 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RRM domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGQKKDTSNHFHVFV GDLSPEITTEDIKAAFAPFG RISDARVVKDMATGKSKGYG FVSFFNKWDAENAIQQMGGQ WLGGRQIRTNWATRKPPAPK STYESNTKQSGPSSG ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 BMRB 11370 . "RRM domain C terminal truncated" . . . . . 75.65 87 100.00 100.00 7.66e-57 . . . . 11376 1 2 no BMRB 11371 . "RRM domain D131A mutant" . . . . . 89.57 103 99.03 99.03 2.52e-68 . . . . 11376 1 3 no BMRB 11372 . "RRM domain K138A mutant" . . . . . 89.57 103 99.03 99.03 1.06e-68 . . . . 11376 1 4 no BMRB 11373 . "RRM domain T134A mutant" . . . . . 89.57 103 99.03 99.03 9.22e-69 . . . . 11376 1 5 no BMRB 11374 . "RRM domain" . . . . . 100.00 115 100.00 100.00 2.95e-77 . . . . 11376 1 6 no BMRB 11375 . "RRM domain" . . . . . 100.00 115 100.00 100.00 2.95e-77 . . . . 11376 1 7 no PDB 2DGO . "Solution Structure Of The Rna Binding Domain In Cytotoxic Granule-Associated Rna Binding Protein 1" . . . . . 100.00 115 100.00 100.00 2.95e-77 . . . . 11376 1 8 no PDB 2RNE . "Solution Structure Of The Second Rna Recognition Motif (Rrm) Of Tia-1" . . . . . 100.00 115 100.00 100.00 2.95e-77 . . . . 11376 1 9 no GB EAW99825 . "TIA1 cytotoxic granule-associated RNA binding protein, isoform CRA_c, partial [Homo sapiens]" . . . . . 90.43 144 99.04 99.04 2.33e-69 . . . . 11376 1 10 no REF XP_005430921 . "PREDICTED: nucleolysin TIA-1 isoform p40 [Geospiza fortis]" . . . . . 90.43 367 98.08 99.04 7.29e-66 . . . . 11376 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RRM domain' . 11376 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 . 11376 1 2 . SER . 11376 1 3 . SER . 11376 1 4 . GLY . 11376 1 5 . SER . 11376 1 6 . SER . 11376 1 7 . GLY . 11376 1 8 . GLN . 11376 1 9 . LYS . 11376 1 10 . LYS . 11376 1 11 . ASP . 11376 1 12 . THR . 11376 1 13 . SER . 11376 1 14 . ASN . 11376 1 15 . HIS . 11376 1 16 . PHE . 11376 1 17 . HIS . 11376 1 18 . VAL . 11376 1 19 . PHE . 11376 1 20 . VAL . 11376 1 21 . GLY . 11376 1 22 . ASP . 11376 1 23 . LEU . 11376 1 24 . SER . 11376 1 25 . PRO . 11376 1 26 . GLU . 11376 1 27 . ILE . 11376 1 28 . THR . 11376 1 29 . THR . 11376 1 30 . GLU . 11376 1 31 . ASP . 11376 1 32 . ILE . 11376 1 33 . LYS . 11376 1 34 . ALA . 11376 1 35 . ALA . 11376 1 36 . PHE . 11376 1 37 . ALA . 11376 1 38 . PRO . 11376 1 39 . PHE . 11376 1 40 . GLY . 11376 1 41 . ARG . 11376 1 42 . ILE . 11376 1 43 . SER . 11376 1 44 . ASP . 11376 1 45 . ALA . 11376 1 46 . ARG . 11376 1 47 . VAL . 11376 1 48 . VAL . 11376 1 49 . LYS . 11376 1 50 . ASP . 11376 1 51 . MET . 11376 1 52 . ALA . 11376 1 53 . THR . 11376 1 54 . GLY . 11376 1 55 . LYS . 11376 1 56 . SER . 11376 1 57 . LYS . 11376 1 58 . GLY . 11376 1 59 . TYR . 11376 1 60 . GLY . 11376 1 61 . PHE . 11376 1 62 . VAL . 11376 1 63 . SER . 11376 1 64 . PHE . 11376 1 65 . PHE . 11376 1 66 . ASN . 11376 1 67 . LYS . 11376 1 68 . TRP . 11376 1 69 . ASP . 11376 1 70 . ALA . 11376 1 71 . GLU . 11376 1 72 . ASN . 11376 1 73 . ALA . 11376 1 74 . ILE . 11376 1 75 . GLN . 11376 1 76 . GLN . 11376 1 77 . MET . 11376 1 78 . GLY . 11376 1 79 . GLY . 11376 1 80 . GLN . 11376 1 81 . TRP . 11376 1 82 . LEU . 11376 1 83 . GLY . 11376 1 84 . GLY . 11376 1 85 . ARG . 11376 1 86 . GLN . 11376 1 87 . ILE . 11376 1 88 . ARG . 11376 1 89 . THR . 11376 1 90 . ASN . 11376 1 91 . TRP . 11376 1 92 . ALA . 11376 1 93 . THR . 11376 1 94 . ARG . 11376 1 95 . LYS . 11376 1 96 . PRO . 11376 1 97 . PRO . 11376 1 98 . ALA . 11376 1 99 . PRO . 11376 1 100 . LYS . 11376 1 101 . SER . 11376 1 102 . THR . 11376 1 103 . TYR . 11376 1 104 . GLU . 11376 1 105 . SER . 11376 1 106 . ASN . 11376 1 107 . THR . 11376 1 108 . LYS . 11376 1 109 . GLN . 11376 1 110 . SER . 11376 1 111 . GLY . 11376 1 112 . PRO . 11376 1 113 . SER . 11376 1 114 . SER . 11376 1 115 . GLY . 11376 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 11376 1 . SER 2 2 11376 1 . SER 3 3 11376 1 . GLY 4 4 11376 1 . SER 5 5 11376 1 . SER 6 6 11376 1 . GLY 7 7 11376 1 . GLN 8 8 11376 1 . LYS 9 9 11376 1 . LYS 10 10 11376 1 . ASP 11 11 11376 1 . THR 12 12 11376 1 . SER 13 13 11376 1 . ASN 14 14 11376 1 . HIS 15 15 11376 1 . PHE 16 16 11376 1 . HIS 17 17 11376 1 . VAL 18 18 11376 1 . PHE 19 19 11376 1 . VAL 20 20 11376 1 . GLY 21 21 11376 1 . ASP 22 22 11376 1 . LEU 23 23 11376 1 . SER 24 24 11376 1 . PRO 25 25 11376 1 . GLU 26 26 11376 1 . ILE 27 27 11376 1 . THR 28 28 11376 1 . THR 29 29 11376 1 . GLU 30 30 11376 1 . ASP 31 31 11376 1 . ILE 32 32 11376 1 . LYS 33 33 11376 1 . ALA 34 34 11376 1 . ALA 35 35 11376 1 . PHE 36 36 11376 1 . ALA 37 37 11376 1 . PRO 38 38 11376 1 . PHE 39 39 11376 1 . GLY 40 40 11376 1 . ARG 41 41 11376 1 . ILE 42 42 11376 1 . SER 43 43 11376 1 . ASP 44 44 11376 1 . ALA 45 45 11376 1 . ARG 46 46 11376 1 . VAL 47 47 11376 1 . VAL 48 48 11376 1 . LYS 49 49 11376 1 . ASP 50 50 11376 1 . MET 51 51 11376 1 . ALA 52 52 11376 1 . THR 53 53 11376 1 . GLY 54 54 11376 1 . LYS 55 55 11376 1 . SER 56 56 11376 1 . LYS 57 57 11376 1 . GLY 58 58 11376 1 . TYR 59 59 11376 1 . GLY 60 60 11376 1 . PHE 61 61 11376 1 . VAL 62 62 11376 1 . SER 63 63 11376 1 . PHE 64 64 11376 1 . PHE 65 65 11376 1 . ASN 66 66 11376 1 . LYS 67 67 11376 1 . TRP 68 68 11376 1 . ASP 69 69 11376 1 . ALA 70 70 11376 1 . GLU 71 71 11376 1 . ASN 72 72 11376 1 . ALA 73 73 11376 1 . ILE 74 74 11376 1 . GLN 75 75 11376 1 . GLN 76 76 11376 1 . MET 77 77 11376 1 . GLY 78 78 11376 1 . GLY 79 79 11376 1 . GLN 80 80 11376 1 . TRP 81 81 11376 1 . LEU 82 82 11376 1 . GLY 83 83 11376 1 . GLY 84 84 11376 1 . ARG 85 85 11376 1 . GLN 86 86 11376 1 . ILE 87 87 11376 1 . ARG 88 88 11376 1 . THR 89 89 11376 1 . ASN 90 90 11376 1 . TRP 91 91 11376 1 . ALA 92 92 11376 1 . THR 93 93 11376 1 . ARG 94 94 11376 1 . LYS 95 95 11376 1 . PRO 96 96 11376 1 . PRO 97 97 11376 1 . ALA 98 98 11376 1 . PRO 99 99 11376 1 . LYS 100 100 11376 1 . SER 101 101 11376 1 . THR 102 102 11376 1 . TYR 103 103 11376 1 . GLU 104 104 11376 1 . SER 105 105 11376 1 . ASN 106 106 11376 1 . THR 107 107 11376 1 . LYS 108 108 11376 1 . GLN 109 109 11376 1 . SER 110 110 11376 1 . GLY 111 111 11376 1 . PRO 112 112 11376 1 . SER 113 113 11376 1 . SER 114 114 11376 1 . GLY 115 115 11376 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 11376 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11376 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 11376 _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' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 11376 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11376 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20mM [U-99% 2H] TRIS, 100mM sodium chloride, 1mM [U-98% 2H] DTT, 0.02% sodium azide, 1mM [U-99% 13C; U-99% 15N] protein, 90% H2O/10% D2O ; _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 'RRM domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 11376 1 2 TRIS '[U-99% 2H]' . . . . . buffer 20 . . mM . . . . 11376 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11376 1 4 DTT '[U-98% 2H]' . . . . . salt 1 . . mM . . . . 11376 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11376 1 6 H2O . . . . . . solvent 90 . . % . . . . 11376 1 7 D2O . . . . . . solvent 10 . . % . . . . 11376 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 11376 _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' 100 0.1 mM 11376 1 pH 7.0 0.05 pH 11376 1 pressure 1 0.001 atm 11376 1 temperature 298 0.1 K 11376 1 stop_ save_ ############################ # Computer software used # ############################ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 11376 _Software.ID 1 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 11376 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11376 1 'structure solution' 11376 1 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 11376 _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 11376 _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 . . . 11376 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 11376 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11376 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11376 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 11376 _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 . . . . . . . . . 11376 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11376 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11376 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 11376 _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 1H-15N NOESY' 1 $sample_1 isotropic 11376 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11376 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $OPAL . . 11376 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 7 7 GLY HA2 H 1 3.921 0.030 . 2 . . . . 7 GLY HA2 . 11376 1 2 . 1 1 7 7 GLY C C 13 174.074 0.300 . 1 . . . . 7 GLY C . 11376 1 3 . 1 1 7 7 GLY CA C 13 45.326 0.300 . 1 . . . . 7 GLY CA . 11376 1 4 . 1 1 8 8 GLN H H 1 8.174 0.030 . 1 . . . . 8 GLN H . 11376 1 5 . 1 1 8 8 GLN HA H 1 4.276 0.030 . 1 . . . . 8 GLN HA . 11376 1 6 . 1 1 8 8 GLN HB2 H 1 1.937 0.030 . 2 . . . . 8 GLN HB2 . 11376 1 7 . 1 1 8 8 GLN HB3 H 1 2.068 0.030 . 2 . . . . 8 GLN HB3 . 11376 1 8 . 1 1 8 8 GLN HG2 H 1 2.304 0.030 . 2 . . . . 8 GLN HG2 . 11376 1 9 . 1 1 8 8 GLN C C 13 176.011 0.300 . 1 . . . . 8 GLN C . 11376 1 10 . 1 1 8 8 GLN CA C 13 55.668 0.300 . 1 . . . . 8 GLN CA . 11376 1 11 . 1 1 8 8 GLN CB C 13 29.525 0.300 . 1 . . . . 8 GLN CB . 11376 1 12 . 1 1 8 8 GLN CG C 13 33.764 0.300 . 1 . . . . 8 GLN CG . 11376 1 13 . 1 1 8 8 GLN N N 15 119.861 0.300 . 1 . . . . 8 GLN N . 11376 1 14 . 1 1 9 9 LYS H H 1 8.390 0.030 . 1 . . . . 9 LYS H . 11376 1 15 . 1 1 9 9 LYS HA H 1 4.268 0.030 . 1 . . . . 9 LYS HA . 11376 1 16 . 1 1 9 9 LYS HB2 H 1 1.764 0.030 . 1 . . . . 9 LYS HB2 . 11376 1 17 . 1 1 9 9 LYS HB3 H 1 1.764 0.030 . 1 . . . . 9 LYS HB3 . 11376 1 18 . 1 1 9 9 LYS HD2 H 1 1.657 0.030 . 1 . . . . 9 LYS HD2 . 11376 1 19 . 1 1 9 9 LYS HD3 H 1 1.657 0.030 . 1 . . . . 9 LYS HD3 . 11376 1 20 . 1 1 9 9 LYS HE2 H 1 2.950 0.030 . 1 . . . . 9 LYS HE2 . 11376 1 21 . 1 1 9 9 LYS HE3 H 1 2.950 0.030 . 1 . . . . 9 LYS HE3 . 11376 1 22 . 1 1 9 9 LYS HG2 H 1 1.389 0.030 . 1 . . . . 9 LYS HG2 . 11376 1 23 . 1 1 9 9 LYS HG3 H 1 1.389 0.030 . 1 . . . . 9 LYS HG3 . 11376 1 24 . 1 1 9 9 LYS C C 13 176.496 0.300 . 1 . . . . 9 LYS C . 11376 1 25 . 1 1 9 9 LYS CA C 13 56.001 0.300 . 1 . . . . 9 LYS CA . 11376 1 26 . 1 1 9 9 LYS CB C 13 32.931 0.300 . 1 . . . . 9 LYS CB . 11376 1 27 . 1 1 9 9 LYS CD C 13 29.184 0.300 . 1 . . . . 9 LYS CD . 11376 1 28 . 1 1 9 9 LYS CE C 13 42.176 0.300 . 1 . . . . 9 LYS CE . 11376 1 29 . 1 1 9 9 LYS CG C 13 24.686 0.300 . 1 . . . . 9 LYS CG . 11376 1 30 . 1 1 9 9 LYS N N 15 123.239 0.300 . 1 . . . . 9 LYS N . 11376 1 31 . 1 1 10 10 LYS H H 1 8.403 0.030 . 1 . . . . 10 LYS H . 11376 1 32 . 1 1 10 10 LYS HA H 1 4.314 0.030 . 1 . . . . 10 LYS HA . 11376 1 33 . 1 1 10 10 LYS HB2 H 1 1.760 0.030 . 2 . . . . 10 LYS HB2 . 11376 1 34 . 1 1 10 10 LYS HB3 H 1 1.825 0.030 . 2 . . . . 10 LYS HB3 . 11376 1 35 . 1 1 10 10 LYS HD2 H 1 1.666 0.030 . 1 . . . . 10 LYS HD2 . 11376 1 36 . 1 1 10 10 LYS HD3 H 1 1.666 0.030 . 1 . . . . 10 LYS HD3 . 11376 1 37 . 1 1 10 10 LYS HE2 H 1 2.950 0.030 . 1 . . . . 10 LYS HE2 . 11376 1 38 . 1 1 10 10 LYS HE3 H 1 2.950 0.030 . 1 . . . . 10 LYS HE3 . 11376 1 39 . 1 1 10 10 LYS HG2 H 1 1.397 0.030 . 1 . . . . 10 LYS HG2 . 11376 1 40 . 1 1 10 10 LYS HG3 H 1 1.397 0.030 . 1 . . . . 10 LYS HG3 . 11376 1 41 . 1 1 10 10 LYS C C 13 176.008 0.300 . 1 . . . . 10 LYS C . 11376 1 42 . 1 1 10 10 LYS CA C 13 56.202 0.300 . 1 . . . . 10 LYS CA . 11376 1 43 . 1 1 10 10 LYS CB C 13 33.004 0.300 . 1 . . . . 10 LYS CB . 11376 1 44 . 1 1 10 10 LYS CD C 13 29.100 0.300 . 1 . . . . 10 LYS CD . 11376 1 45 . 1 1 10 10 LYS CE C 13 42.176 0.300 . 1 . . . . 10 LYS CE . 11376 1 46 . 1 1 10 10 LYS CG C 13 24.686 0.300 . 1 . . . . 10 LYS CG . 11376 1 47 . 1 1 10 10 LYS N N 15 123.239 0.300 . 1 . . . . 10 LYS N . 11376 1 48 . 1 1 11 11 ASP H H 1 8.410 0.030 . 1 . . . . 11 ASP H . 11376 1 49 . 1 1 11 11 ASP HA H 1 4.656 0.030 . 1 . . . . 11 ASP HA . 11376 1 50 . 1 1 11 11 ASP HB2 H 1 2.749 0.030 . 2 . . . . 11 ASP HB2 . 11376 1 51 . 1 1 11 11 ASP HB3 H 1 2.642 0.030 . 2 . . . . 11 ASP HB3 . 11376 1 52 . 1 1 11 11 ASP C C 13 176.728 0.300 . 1 . . . . 11 ASP C . 11376 1 53 . 1 1 11 11 ASP CA C 13 54.148 0.300 . 1 . . . . 11 ASP CA . 11376 1 54 . 1 1 11 11 ASP CB C 13 41.252 0.300 . 1 . . . . 11 ASP CB . 11376 1 55 . 1 1 11 11 ASP N N 15 122.182 0.300 . 1 . . . . 11 ASP N . 11376 1 56 . 1 1 12 12 THR H H 1 8.202 0.030 . 1 . . . . 12 THR H . 11376 1 57 . 1 1 12 12 THR HA H 1 3.955 0.030 . 1 . . . . 12 THR HA . 11376 1 58 . 1 1 12 12 THR HB H 1 4.309 0.030 . 1 . . . . 12 THR HB . 11376 1 59 . 1 1 12 12 THR HG21 H 1 1.077 0.030 . 1 . . . . 12 THR HG2 . 11376 1 60 . 1 1 12 12 THR HG22 H 1 1.077 0.030 . 1 . . . . 12 THR HG2 . 11376 1 61 . 1 1 12 12 THR HG23 H 1 1.077 0.030 . 1 . . . . 12 THR HG2 . 11376 1 62 . 1 1 12 12 THR C C 13 175.577 0.300 . 1 . . . . 12 THR C . 11376 1 63 . 1 1 12 12 THR CA C 13 61.238 0.300 . 1 . . . . 12 THR CA . 11376 1 64 . 1 1 12 12 THR CB C 13 69.258 0.300 . 1 . . . . 12 THR CB . 11376 1 65 . 1 1 12 12 THR CG2 C 13 21.521 0.300 . 1 . . . . 12 THR CG2 . 11376 1 66 . 1 1 12 12 THR N N 15 114.805 0.300 . 1 . . . . 12 THR N . 11376 1 67 . 1 1 13 13 SER H H 1 8.324 0.030 . 1 . . . . 13 SER H . 11376 1 68 . 1 1 13 13 SER HA H 1 4.208 0.030 . 1 . . . . 13 SER HA . 11376 1 69 . 1 1 13 13 SER HB2 H 1 3.797 0.030 . 1 . . . . 13 SER HB2 . 11376 1 70 . 1 1 13 13 SER HB3 H 1 3.797 0.030 . 1 . . . . 13 SER HB3 . 11376 1 71 . 1 1 13 13 SER C C 13 174.502 0.300 . 1 . . . . 13 SER C . 11376 1 72 . 1 1 13 13 SER CA C 13 60.175 0.300 . 1 . . . . 13 SER CA . 11376 1 73 . 1 1 13 13 SER CB C 13 63.365 0.300 . 1 . . . . 13 SER CB . 11376 1 74 . 1 1 13 13 SER N N 15 118.750 0.300 . 1 . . . . 13 SER N . 11376 1 75 . 1 1 14 14 ASN H H 1 8.233 0.030 . 1 . . . . 14 ASN H . 11376 1 76 . 1 1 14 14 ASN HA H 1 4.695 0.030 . 1 . . . . 14 ASN HA . 11376 1 77 . 1 1 14 14 ASN HB2 H 1 2.738 0.030 . 2 . . . . 14 ASN HB2 . 11376 1 78 . 1 1 14 14 ASN HB3 H 1 2.601 0.030 . 2 . . . . 14 ASN HB3 . 11376 1 79 . 1 1 14 14 ASN HD21 H 1 6.836 0.030 . 2 . . . . 14 ASN HD21 . 11376 1 80 . 1 1 14 14 ASN HD22 H 1 7.504 0.030 . 2 . . . . 14 ASN HD22 . 11376 1 81 . 1 1 14 14 ASN C C 13 174.107 0.300 . 1 . . . . 14 ASN C . 11376 1 82 . 1 1 14 14 ASN CA C 13 52.889 0.300 . 1 . . . . 14 ASN CA . 11376 1 83 . 1 1 14 14 ASN CB C 13 38.733 0.300 . 1 . . . . 14 ASN CB . 11376 1 84 . 1 1 14 14 ASN N N 15 119.368 0.300 . 1 . . . . 14 ASN N . 11376 1 85 . 1 1 14 14 ASN ND2 N 15 113.189 0.300 . 1 . . . . 14 ASN ND2 . 11376 1 86 . 1 1 15 15 HIS H H 1 7.398 0.030 . 1 . . . . 15 HIS H . 11376 1 87 . 1 1 15 15 HIS HA H 1 4.553 0.030 . 1 . . . . 15 HIS HA . 11376 1 88 . 1 1 15 15 HIS HB2 H 1 2.817 0.030 . 2 . . . . 15 HIS HB2 . 11376 1 89 . 1 1 15 15 HIS HB3 H 1 2.614 0.030 . 2 . . . . 15 HIS HB3 . 11376 1 90 . 1 1 15 15 HIS HD2 H 1 6.708 0.030 . 1 . . . . 15 HIS HD2 . 11376 1 91 . 1 1 15 15 HIS HE1 H 1 7.358 0.030 . 1 . . . . 15 HIS HE1 . 11376 1 92 . 1 1 15 15 HIS C C 13 172.182 0.300 . 1 . . . . 15 HIS C . 11376 1 93 . 1 1 15 15 HIS CA C 13 53.820 0.300 . 1 . . . . 15 HIS CA . 11376 1 94 . 1 1 15 15 HIS CB C 13 32.258 0.300 . 1 . . . . 15 HIS CB . 11376 1 95 . 1 1 15 15 HIS CD2 C 13 116.166 0.300 . 1 . . . . 15 HIS CD2 . 11376 1 96 . 1 1 15 15 HIS CE1 C 13 138.313 0.300 . 1 . . . . 15 HIS CE1 . 11376 1 97 . 1 1 15 15 HIS N N 15 119.184 0.300 . 1 . . . . 15 HIS N . 11376 1 98 . 1 1 16 16 PHE H H 1 8.388 0.030 . 1 . . . . 16 PHE H . 11376 1 99 . 1 1 16 16 PHE HA H 1 4.540 0.030 . 1 . . . . 16 PHE HA . 11376 1 100 . 1 1 16 16 PHE HB2 H 1 3.136 0.030 . 2 . . . . 16 PHE HB2 . 11376 1 101 . 1 1 16 16 PHE HB3 H 1 2.757 0.030 . 2 . . . . 16 PHE HB3 . 11376 1 102 . 1 1 16 16 PHE HD1 H 1 7.090 0.030 . 1 . . . . 16 PHE HD1 . 11376 1 103 . 1 1 16 16 PHE HD2 H 1 7.090 0.030 . 1 . . . . 16 PHE HD2 . 11376 1 104 . 1 1 16 16 PHE HE1 H 1 7.406 0.030 . 1 . . . . 16 PHE HE1 . 11376 1 105 . 1 1 16 16 PHE HE2 H 1 7.406 0.030 . 1 . . . . 16 PHE HE2 . 11376 1 106 . 1 1 16 16 PHE HZ H 1 7.356 0.030 . 1 . . . . 16 PHE HZ . 11376 1 107 . 1 1 16 16 PHE C C 13 175.055 0.300 . 1 . . . . 16 PHE C . 11376 1 108 . 1 1 16 16 PHE CA C 13 58.534 0.300 . 1 . . . . 16 PHE CA . 11376 1 109 . 1 1 16 16 PHE CB C 13 40.798 0.300 . 1 . . . . 16 PHE CB . 11376 1 110 . 1 1 16 16 PHE CD1 C 13 131.708 0.300 . 1 . . . . 16 PHE CD1 . 11376 1 111 . 1 1 16 16 PHE CD2 C 13 131.708 0.300 . 1 . . . . 16 PHE CD2 . 11376 1 112 . 1 1 16 16 PHE CE1 C 13 131.677 0.300 . 1 . . . . 16 PHE CE1 . 11376 1 113 . 1 1 16 16 PHE CE2 C 13 131.677 0.300 . 1 . . . . 16 PHE CE2 . 11376 1 114 . 1 1 16 16 PHE CZ C 13 130.144 0.300 . 1 . . . . 16 PHE CZ . 11376 1 115 . 1 1 16 16 PHE N N 15 117.473 0.300 . 1 . . . . 16 PHE N . 11376 1 116 . 1 1 17 17 HIS H H 1 8.860 0.030 . 1 . . . . 17 HIS H . 11376 1 117 . 1 1 17 17 HIS HA H 1 5.155 0.030 . 1 . . . . 17 HIS HA . 11376 1 118 . 1 1 17 17 HIS HB2 H 1 3.290 0.030 . 2 . . . . 17 HIS HB2 . 11376 1 119 . 1 1 17 17 HIS HB3 H 1 2.738 0.030 . 2 . . . . 17 HIS HB3 . 11376 1 120 . 1 1 17 17 HIS HD2 H 1 6.976 0.030 . 1 . . . . 17 HIS HD2 . 11376 1 121 . 1 1 17 17 HIS HE1 H 1 7.605 0.030 . 1 . . . . 17 HIS HE1 . 11376 1 122 . 1 1 17 17 HIS C C 13 174.188 0.300 . 1 . . . . 17 HIS C . 11376 1 123 . 1 1 17 17 HIS CA C 13 56.644 0.300 . 1 . . . . 17 HIS CA . 11376 1 124 . 1 1 17 17 HIS CB C 13 33.248 0.300 . 1 . . . . 17 HIS CB . 11376 1 125 . 1 1 17 17 HIS CD2 C 13 119.720 0.300 . 1 . . . . 17 HIS CD2 . 11376 1 126 . 1 1 17 17 HIS CE1 C 13 138.858 0.300 . 1 . . . . 17 HIS CE1 . 11376 1 127 . 1 1 17 17 HIS N N 15 124.310 0.300 . 1 . . . . 17 HIS N . 11376 1 128 . 1 1 18 18 VAL H H 1 9.808 0.030 . 1 . . . . 18 VAL H . 11376 1 129 . 1 1 18 18 VAL HA H 1 4.366 0.030 . 1 . . . . 18 VAL HA . 11376 1 130 . 1 1 18 18 VAL HB H 1 2.305 0.030 . 1 . . . . 18 VAL HB . 11376 1 131 . 1 1 18 18 VAL HG11 H 1 0.922 0.030 . 1 . . . . 18 VAL HG1 . 11376 1 132 . 1 1 18 18 VAL HG12 H 1 0.922 0.030 . 1 . . . . 18 VAL HG1 . 11376 1 133 . 1 1 18 18 VAL HG13 H 1 0.922 0.030 . 1 . . . . 18 VAL HG1 . 11376 1 134 . 1 1 18 18 VAL HG21 H 1 0.696 0.030 . 1 . . . . 18 VAL HG2 . 11376 1 135 . 1 1 18 18 VAL HG22 H 1 0.696 0.030 . 1 . . . . 18 VAL HG2 . 11376 1 136 . 1 1 18 18 VAL HG23 H 1 0.696 0.030 . 1 . . . . 18 VAL HG2 . 11376 1 137 . 1 1 18 18 VAL C C 13 175.356 0.300 . 1 . . . . 18 VAL C . 11376 1 138 . 1 1 18 18 VAL CA C 13 62.291 0.300 . 1 . . . . 18 VAL CA . 11376 1 139 . 1 1 18 18 VAL CB C 13 34.237 0.300 . 1 . . . . 18 VAL CB . 11376 1 140 . 1 1 18 18 VAL CG1 C 13 21.917 0.300 . 2 . . . . 18 VAL CG1 . 11376 1 141 . 1 1 18 18 VAL CG2 C 13 20.973 0.300 . 2 . . . . 18 VAL CG2 . 11376 1 142 . 1 1 18 18 VAL N N 15 126.484 0.300 . 1 . . . . 18 VAL N . 11376 1 143 . 1 1 19 19 PHE H H 1 9.155 0.030 . 1 . . . . 19 PHE H . 11376 1 144 . 1 1 19 19 PHE HA H 1 4.676 0.030 . 1 . . . . 19 PHE HA . 11376 1 145 . 1 1 19 19 PHE HB2 H 1 2.941 0.030 . 2 . . . . 19 PHE HB2 . 11376 1 146 . 1 1 19 19 PHE HB3 H 1 2.736 0.030 . 2 . . . . 19 PHE HB3 . 11376 1 147 . 1 1 19 19 PHE HD1 H 1 6.909 0.030 . 1 . . . . 19 PHE HD1 . 11376 1 148 . 1 1 19 19 PHE HD2 H 1 6.909 0.030 . 1 . . . . 19 PHE HD2 . 11376 1 149 . 1 1 19 19 PHE HE1 H 1 6.956 0.030 . 1 . . . . 19 PHE HE1 . 11376 1 150 . 1 1 19 19 PHE HE2 H 1 6.956 0.030 . 1 . . . . 19 PHE HE2 . 11376 1 151 . 1 1 19 19 PHE HZ H 1 6.822 0.030 . 1 . . . . 19 PHE HZ . 11376 1 152 . 1 1 19 19 PHE C C 13 172.729 0.300 . 1 . . . . 19 PHE C . 11376 1 153 . 1 1 19 19 PHE CA C 13 57.279 0.300 . 1 . . . . 19 PHE CA . 11376 1 154 . 1 1 19 19 PHE CB C 13 40.898 0.300 . 1 . . . . 19 PHE CB . 11376 1 155 . 1 1 19 19 PHE CD1 C 13 132.119 0.300 . 1 . . . . 19 PHE CD1 . 11376 1 156 . 1 1 19 19 PHE CD2 C 13 132.119 0.300 . 1 . . . . 19 PHE CD2 . 11376 1 157 . 1 1 19 19 PHE CE1 C 13 129.304 0.300 . 1 . . . . 19 PHE CE1 . 11376 1 158 . 1 1 19 19 PHE CE2 C 13 129.304 0.300 . 1 . . . . 19 PHE CE2 . 11376 1 159 . 1 1 19 19 PHE CZ C 13 130.908 0.300 . 1 . . . . 19 PHE CZ . 11376 1 160 . 1 1 19 19 PHE N N 15 127.982 0.300 . 1 . . . . 19 PHE N . 11376 1 161 . 1 1 20 20 VAL H H 1 7.810 0.030 . 1 . . . . 20 VAL H . 11376 1 162 . 1 1 20 20 VAL HA H 1 4.504 0.030 . 1 . . . . 20 VAL HA . 11376 1 163 . 1 1 20 20 VAL HB H 1 1.376 0.030 . 1 . . . . 20 VAL HB . 11376 1 164 . 1 1 20 20 VAL HG11 H 1 0.726 0.030 . 1 . . . . 20 VAL HG1 . 11376 1 165 . 1 1 20 20 VAL HG12 H 1 0.726 0.030 . 1 . . . . 20 VAL HG1 . 11376 1 166 . 1 1 20 20 VAL HG13 H 1 0.726 0.030 . 1 . . . . 20 VAL HG1 . 11376 1 167 . 1 1 20 20 VAL HG21 H 1 0.413 0.030 . 1 . . . . 20 VAL HG2 . 11376 1 168 . 1 1 20 20 VAL HG22 H 1 0.413 0.030 . 1 . . . . 20 VAL HG2 . 11376 1 169 . 1 1 20 20 VAL HG23 H 1 0.413 0.030 . 1 . . . . 20 VAL HG2 . 11376 1 170 . 1 1 20 20 VAL C C 13 173.507 0.300 . 1 . . . . 20 VAL C . 11376 1 171 . 1 1 20 20 VAL CA C 13 59.691 0.300 . 1 . . . . 20 VAL CA . 11376 1 172 . 1 1 20 20 VAL CB C 13 32.809 0.300 . 1 . . . . 20 VAL CB . 11376 1 173 . 1 1 20 20 VAL CG1 C 13 22.796 0.300 . 2 . . . . 20 VAL CG1 . 11376 1 174 . 1 1 20 20 VAL CG2 C 13 21.521 0.300 . 2 . . . . 20 VAL CG2 . 11376 1 175 . 1 1 20 20 VAL N N 15 126.990 0.300 . 1 . . . . 20 VAL N . 11376 1 176 . 1 1 21 21 GLY H H 1 8.807 0.030 . 1 . . . . 21 GLY H . 11376 1 177 . 1 1 21 21 GLY HA2 H 1 4.536 0.030 . 2 . . . . 21 GLY HA2 . 11376 1 178 . 1 1 21 21 GLY HA3 H 1 3.378 0.030 . 2 . . . . 21 GLY HA3 . 11376 1 179 . 1 1 21 21 GLY C C 13 172.293 0.300 . 1 . . . . 21 GLY C . 11376 1 180 . 1 1 21 21 GLY CA C 13 43.531 0.300 . 1 . . . . 21 GLY CA . 11376 1 181 . 1 1 21 21 GLY N N 15 111.299 0.300 . 1 . . . . 21 GLY N . 11376 1 182 . 1 1 22 22 ASP H H 1 8.411 0.030 . 1 . . . . 22 ASP H . 11376 1 183 . 1 1 22 22 ASP HA H 1 4.187 0.030 . 1 . . . . 22 ASP HA . 11376 1 184 . 1 1 22 22 ASP HB2 H 1 2.927 0.030 . 2 . . . . 22 ASP HB2 . 11376 1 185 . 1 1 22 22 ASP HB3 H 1 3.058 0.030 . 2 . . . . 22 ASP HB3 . 11376 1 186 . 1 1 22 22 ASP C C 13 173.942 0.300 . 1 . . . . 22 ASP C . 11376 1 187 . 1 1 22 22 ASP CA C 13 55.582 0.300 . 1 . . . . 22 ASP CA . 11376 1 188 . 1 1 22 22 ASP CB C 13 38.950 0.300 . 1 . . . . 22 ASP CB . 11376 1 189 . 1 1 22 22 ASP N N 15 115.446 0.300 . 1 . . . . 22 ASP N . 11376 1 190 . 1 1 23 23 LEU H H 1 7.632 0.030 . 1 . . . . 23 LEU H . 11376 1 191 . 1 1 23 23 LEU HA H 1 4.299 0.030 . 1 . . . . 23 LEU HA . 11376 1 192 . 1 1 23 23 LEU HB2 H 1 1.128 0.030 . 2 . . . . 23 LEU HB2 . 11376 1 193 . 1 1 23 23 LEU HB3 H 1 1.057 0.030 . 2 . . . . 23 LEU HB3 . 11376 1 194 . 1 1 23 23 LEU HD11 H 1 0.597 0.030 . 1 . . . . 23 LEU HD1 . 11376 1 195 . 1 1 23 23 LEU HD12 H 1 0.597 0.030 . 1 . . . . 23 LEU HD1 . 11376 1 196 . 1 1 23 23 LEU HD13 H 1 0.597 0.030 . 1 . . . . 23 LEU HD1 . 11376 1 197 . 1 1 23 23 LEU HD21 H 1 0.413 0.030 . 1 . . . . 23 LEU HD2 . 11376 1 198 . 1 1 23 23 LEU HD22 H 1 0.413 0.030 . 1 . . . . 23 LEU HD2 . 11376 1 199 . 1 1 23 23 LEU HD23 H 1 0.413 0.030 . 1 . . . . 23 LEU HD2 . 11376 1 200 . 1 1 23 23 LEU HG H 1 1.250 0.030 . 1 . . . . 23 LEU HG . 11376 1 201 . 1 1 23 23 LEU C C 13 178.329 0.300 . 1 . . . . 23 LEU C . 11376 1 202 . 1 1 23 23 LEU CA C 13 53.126 0.300 . 1 . . . . 23 LEU CA . 11376 1 203 . 1 1 23 23 LEU CB C 13 42.904 0.300 . 1 . . . . 23 LEU CB . 11376 1 204 . 1 1 23 23 LEU CD1 C 13 23.264 0.300 . 2 . . . . 23 LEU CD1 . 11376 1 205 . 1 1 23 23 LEU CD2 C 13 26.354 0.300 . 2 . . . . 23 LEU CD2 . 11376 1 206 . 1 1 23 23 LEU CG C 13 26.557 0.300 . 1 . . . . 23 LEU CG . 11376 1 207 . 1 1 23 23 LEU N N 15 112.356 0.300 . 1 . . . . 23 LEU N . 11376 1 208 . 1 1 24 24 SER H H 1 8.908 0.030 . 1 . . . . 24 SER H . 11376 1 209 . 1 1 24 24 SER HA H 1 4.438 0.030 . 1 . . . . 24 SER HA . 11376 1 210 . 1 1 24 24 SER HB2 H 1 4.142 0.030 . 2 . . . . 24 SER HB2 . 11376 1 211 . 1 1 24 24 SER HB3 H 1 3.989 0.030 . 2 . . . . 24 SER HB3 . 11376 1 212 . 1 1 24 24 SER C C 13 174.697 0.300 . 1 . . . . 24 SER C . 11376 1 213 . 1 1 24 24 SER CA C 13 56.931 0.300 . 1 . . . . 24 SER CA . 11376 1 214 . 1 1 24 24 SER CB C 13 63.139 0.300 . 1 . . . . 24 SER CB . 11376 1 215 . 1 1 24 24 SER N N 15 120.847 0.300 . 1 . . . . 24 SER N . 11376 1 216 . 1 1 25 25 PRO HA H 1 4.230 0.030 . 1 . . . . 25 PRO HA . 11376 1 217 . 1 1 25 25 PRO HB2 H 1 2.447 0.030 . 2 . . . . 25 PRO HB2 . 11376 1 218 . 1 1 25 25 PRO HB3 H 1 2.018 0.030 . 2 . . . . 25 PRO HB3 . 11376 1 219 . 1 1 25 25 PRO HD2 H 1 3.872 0.030 . 2 . . . . 25 PRO HD2 . 11376 1 220 . 1 1 25 25 PRO HD3 H 1 3.926 0.030 . 2 . . . . 25 PRO HD3 . 11376 1 221 . 1 1 25 25 PRO HG2 H 1 2.122 0.030 . 2 . . . . 25 PRO HG2 . 11376 1 222 . 1 1 25 25 PRO HG3 H 1 2.075 0.030 . 2 . . . . 25 PRO HG3 . 11376 1 223 . 1 1 25 25 PRO C C 13 176.236 0.300 . 1 . . . . 25 PRO C . 11376 1 224 . 1 1 25 25 PRO CA C 13 65.616 0.300 . 1 . . . . 25 PRO CA . 11376 1 225 . 1 1 25 25 PRO CB C 13 32.092 0.300 . 1 . . . . 25 PRO CB . 11376 1 226 . 1 1 25 25 PRO CD C 13 51.190 0.300 . 1 . . . . 25 PRO CD . 11376 1 227 . 1 1 25 25 PRO CG C 13 27.517 0.300 . 1 . . . . 25 PRO CG . 11376 1 228 . 1 1 26 26 GLU H H 1 8.973 0.030 . 1 . . . . 26 GLU H . 11376 1 229 . 1 1 26 26 GLU HA H 1 4.340 0.030 . 1 . . . . 26 GLU HA . 11376 1 230 . 1 1 26 26 GLU HB2 H 1 2.099 0.030 . 2 . . . . 26 GLU HB2 . 11376 1 231 . 1 1 26 26 GLU HB3 H 1 1.978 0.030 . 2 . . . . 26 GLU HB3 . 11376 1 232 . 1 1 26 26 GLU HG2 H 1 2.347 0.030 . 2 . . . . 26 GLU HG2 . 11376 1 233 . 1 1 26 26 GLU HG3 H 1 2.220 0.030 . 2 . . . . 26 GLU HG3 . 11376 1 234 . 1 1 26 26 GLU C C 13 176.769 0.300 . 1 . . . . 26 GLU C . 11376 1 235 . 1 1 26 26 GLU CA C 13 56.684 0.300 . 1 . . . . 26 GLU CA . 11376 1 236 . 1 1 26 26 GLU CB C 13 28.945 0.300 . 1 . . . . 26 GLU CB . 11376 1 237 . 1 1 26 26 GLU CG C 13 35.972 0.300 . 1 . . . . 26 GLU CG . 11376 1 238 . 1 1 26 26 GLU N N 15 116.038 0.300 . 1 . . . . 26 GLU N . 11376 1 239 . 1 1 27 27 ILE H H 1 7.367 0.030 . 1 . . . . 27 ILE H . 11376 1 240 . 1 1 27 27 ILE HA H 1 4.300 0.030 . 1 . . . . 27 ILE HA . 11376 1 241 . 1 1 27 27 ILE HB H 1 2.142 0.030 . 1 . . . . 27 ILE HB . 11376 1 242 . 1 1 27 27 ILE HD11 H 1 0.696 0.030 . 1 . . . . 27 ILE HD1 . 11376 1 243 . 1 1 27 27 ILE HD12 H 1 0.696 0.030 . 1 . . . . 27 ILE HD1 . 11376 1 244 . 1 1 27 27 ILE HD13 H 1 0.696 0.030 . 1 . . . . 27 ILE HD1 . 11376 1 245 . 1 1 27 27 ILE HG12 H 1 1.371 0.030 . 2 . . . . 27 ILE HG12 . 11376 1 246 . 1 1 27 27 ILE HG13 H 1 1.603 0.030 . 2 . . . . 27 ILE HG13 . 11376 1 247 . 1 1 27 27 ILE HG21 H 1 0.913 0.030 . 1 . . . . 27 ILE HG2 . 11376 1 248 . 1 1 27 27 ILE HG22 H 1 0.913 0.030 . 1 . . . . 27 ILE HG2 . 11376 1 249 . 1 1 27 27 ILE HG23 H 1 0.913 0.030 . 1 . . . . 27 ILE HG2 . 11376 1 250 . 1 1 27 27 ILE C C 13 177.082 0.300 . 1 . . . . 27 ILE C . 11376 1 251 . 1 1 27 27 ILE CA C 13 59.428 0.300 . 1 . . . . 27 ILE CA . 11376 1 252 . 1 1 27 27 ILE CB C 13 35.168 0.300 . 1 . . . . 27 ILE CB . 11376 1 253 . 1 1 27 27 ILE CD1 C 13 9.621 0.300 . 1 . . . . 27 ILE CD1 . 11376 1 254 . 1 1 27 27 ILE CG1 C 13 27.137 0.300 . 1 . . . . 27 ILE CG1 . 11376 1 255 . 1 1 27 27 ILE CG2 C 13 18.440 0.300 . 1 . . . . 27 ILE CG2 . 11376 1 256 . 1 1 27 27 ILE N N 15 121.687 0.300 . 1 . . . . 27 ILE N . 11376 1 257 . 1 1 28 28 THR H H 1 9.421 0.030 . 1 . . . . 28 THR H . 11376 1 258 . 1 1 28 28 THR HA H 1 4.736 0.030 . 1 . . . . 28 THR HA . 11376 1 259 . 1 1 28 28 THR HB H 1 4.741 0.030 . 1 . . . . 28 THR HB . 11376 1 260 . 1 1 28 28 THR HG21 H 1 1.361 0.030 . 1 . . . . 28 THR HG2 . 11376 1 261 . 1 1 28 28 THR HG22 H 1 1.361 0.030 . 1 . . . . 28 THR HG2 . 11376 1 262 . 1 1 28 28 THR HG23 H 1 1.361 0.030 . 1 . . . . 28 THR HG2 . 11376 1 263 . 1 1 28 28 THR C C 13 176.279 0.300 . 1 . . . . 28 THR C . 11376 1 264 . 1 1 28 28 THR CA C 13 60.094 0.300 . 1 . . . . 28 THR CA . 11376 1 265 . 1 1 28 28 THR CB C 13 73.457 0.300 . 1 . . . . 28 THR CB . 11376 1 266 . 1 1 28 28 THR CG2 C 13 21.688 0.300 . 1 . . . . 28 THR CG2 . 11376 1 267 . 1 1 28 28 THR N N 15 121.173 0.300 . 1 . . . . 28 THR N . 11376 1 268 . 1 1 29 29 THR H H 1 9.035 0.030 . 1 . . . . 29 THR H . 11376 1 269 . 1 1 29 29 THR HA H 1 3.570 0.030 . 1 . . . . 29 THR HA . 11376 1 270 . 1 1 29 29 THR HB H 1 4.172 0.030 . 1 . . . . 29 THR HB . 11376 1 271 . 1 1 29 29 THR HG21 H 1 1.153 0.030 . 1 . . . . 29 THR HG2 . 11376 1 272 . 1 1 29 29 THR HG22 H 1 1.153 0.030 . 1 . . . . 29 THR HG2 . 11376 1 273 . 1 1 29 29 THR HG23 H 1 1.153 0.030 . 1 . . . . 29 THR HG2 . 11376 1 274 . 1 1 29 29 THR C C 13 175.343 0.300 . 1 . . . . 29 THR C . 11376 1 275 . 1 1 29 29 THR CA C 13 67.106 0.300 . 1 . . . . 29 THR CA . 11376 1 276 . 1 1 29 29 THR CB C 13 69.012 0.300 . 1 . . . . 29 THR CB . 11376 1 277 . 1 1 29 29 THR CG2 C 13 23.432 0.300 . 1 . . . . 29 THR CG2 . 11376 1 278 . 1 1 29 29 THR N N 15 118.426 0.300 . 1 . . . . 29 THR N . 11376 1 279 . 1 1 30 30 GLU H H 1 8.429 0.030 . 1 . . . . 30 GLU H . 11376 1 280 . 1 1 30 30 GLU HA H 1 3.874 0.030 . 1 . . . . 30 GLU HA . 11376 1 281 . 1 1 30 30 GLU HB2 H 1 1.998 0.030 . 1 . . . . 30 GLU HB2 . 11376 1 282 . 1 1 30 30 GLU HB3 H 1 1.998 0.030 . 1 . . . . 30 GLU HB3 . 11376 1 283 . 1 1 30 30 GLU HG2 H 1 2.455 0.030 . 2 . . . . 30 GLU HG2 . 11376 1 284 . 1 1 30 30 GLU HG3 H 1 2.296 0.030 . 2 . . . . 30 GLU HG3 . 11376 1 285 . 1 1 30 30 GLU C C 13 179.196 0.300 . 1 . . . . 30 GLU C . 11376 1 286 . 1 1 30 30 GLU CA C 13 60.557 0.300 . 1 . . . . 30 GLU CA . 11376 1 287 . 1 1 30 30 GLU CB C 13 28.526 0.300 . 1 . . . . 30 GLU CB . 11376 1 288 . 1 1 30 30 GLU CG C 13 37.179 0.300 . 1 . . . . 30 GLU CG . 11376 1 289 . 1 1 30 30 GLU N N 15 119.924 0.300 . 1 . . . . 30 GLU N . 11376 1 290 . 1 1 31 31 ASP H H 1 7.716 0.030 . 1 . . . . 31 ASP H . 11376 1 291 . 1 1 31 31 ASP HA H 1 4.456 0.030 . 1 . . . . 31 ASP HA . 11376 1 292 . 1 1 31 31 ASP HB2 H 1 3.252 0.030 . 2 . . . . 31 ASP HB2 . 11376 1 293 . 1 1 31 31 ASP HB3 H 1 2.583 0.030 . 2 . . . . 31 ASP HB3 . 11376 1 294 . 1 1 31 31 ASP C C 13 179.878 0.300 . 1 . . . . 31 ASP C . 11376 1 295 . 1 1 31 31 ASP CA C 13 57.433 0.300 . 1 . . . . 31 ASP CA . 11376 1 296 . 1 1 31 31 ASP CB C 13 41.621 0.300 . 1 . . . . 31 ASP CB . 11376 1 297 . 1 1 31 31 ASP N N 15 120.092 0.300 . 1 . . . . 31 ASP N . 11376 1 298 . 1 1 32 32 ILE H H 1 7.904 0.030 . 1 . . . . 32 ILE H . 11376 1 299 . 1 1 32 32 ILE HA H 1 4.043 0.030 . 1 . . . . 32 ILE HA . 11376 1 300 . 1 1 32 32 ILE HB H 1 1.851 0.030 . 1 . . . . 32 ILE HB . 11376 1 301 . 1 1 32 32 ILE HD11 H 1 0.505 0.030 . 1 . . . . 32 ILE HD1 . 11376 1 302 . 1 1 32 32 ILE HD12 H 1 0.505 0.030 . 1 . . . . 32 ILE HD1 . 11376 1 303 . 1 1 32 32 ILE HD13 H 1 0.505 0.030 . 1 . . . . 32 ILE HD1 . 11376 1 304 . 1 1 32 32 ILE HG12 H 1 1.260 0.030 . 1 . . . . 32 ILE HG12 . 11376 1 305 . 1 1 32 32 ILE HG13 H 1 1.260 0.030 . 1 . . . . 32 ILE HG13 . 11376 1 306 . 1 1 32 32 ILE HG21 H 1 0.695 0.030 . 1 . . . . 32 ILE HG2 . 11376 1 307 . 1 1 32 32 ILE HG22 H 1 0.695 0.030 . 1 . . . . 32 ILE HG2 . 11376 1 308 . 1 1 32 32 ILE HG23 H 1 0.695 0.030 . 1 . . . . 32 ILE HG2 . 11376 1 309 . 1 1 32 32 ILE C C 13 177.514 0.300 . 1 . . . . 32 ILE C . 11376 1 310 . 1 1 32 32 ILE CA C 13 64.275 0.300 . 1 . . . . 32 ILE CA . 11376 1 311 . 1 1 32 32 ILE CB C 13 37.125 0.300 . 1 . . . . 32 ILE CB . 11376 1 312 . 1 1 32 32 ILE CD1 C 13 12.506 0.300 . 1 . . . . 32 ILE CD1 . 11376 1 313 . 1 1 32 32 ILE CG1 C 13 27.596 0.300 . 1 . . . . 32 ILE CG1 . 11376 1 314 . 1 1 32 32 ILE CG2 C 13 18.273 0.300 . 1 . . . . 32 ILE CG2 . 11376 1 315 . 1 1 32 32 ILE N N 15 118.194 0.300 . 1 . . . . 32 ILE N . 11376 1 316 . 1 1 33 33 LYS H H 1 8.307 0.030 . 1 . . . . 33 LYS H . 11376 1 317 . 1 1 33 33 LYS HA H 1 3.739 0.030 . 1 . . . . 33 LYS HA . 11376 1 318 . 1 1 33 33 LYS HB2 H 1 1.908 0.030 . 2 . . . . 33 LYS HB2 . 11376 1 319 . 1 1 33 33 LYS HB3 H 1 1.767 0.030 . 2 . . . . 33 LYS HB3 . 11376 1 320 . 1 1 33 33 LYS HD2 H 1 1.663 0.030 . 1 . . . . 33 LYS HD2 . 11376 1 321 . 1 1 33 33 LYS HD3 H 1 1.663 0.030 . 1 . . . . 33 LYS HD3 . 11376 1 322 . 1 1 33 33 LYS HE2 H 1 2.791 0.030 . 2 . . . . 33 LYS HE2 . 11376 1 323 . 1 1 33 33 LYS HE3 H 1 2.865 0.030 . 2 . . . . 33 LYS HE3 . 11376 1 324 . 1 1 33 33 LYS HG2 H 1 1.504 0.030 . 2 . . . . 33 LYS HG2 . 11376 1 325 . 1 1 33 33 LYS HG3 H 1 1.225 0.030 . 2 . . . . 33 LYS HG3 . 11376 1 326 . 1 1 33 33 LYS C C 13 177.820 0.300 . 1 . . . . 33 LYS C . 11376 1 327 . 1 1 33 33 LYS CA C 13 61.017 0.300 . 1 . . . . 33 LYS CA . 11376 1 328 . 1 1 33 33 LYS CB C 13 32.270 0.300 . 1 . . . . 33 LYS CB . 11376 1 329 . 1 1 33 33 LYS CD C 13 29.683 0.300 . 1 . . . . 33 LYS CD . 11376 1 330 . 1 1 33 33 LYS CE C 13 41.926 0.300 . 1 . . . . 33 LYS CE . 11376 1 331 . 1 1 33 33 LYS CG C 13 26.893 0.300 . 1 . . . . 33 LYS CG . 11376 1 332 . 1 1 33 33 LYS N N 15 121.645 0.300 . 1 . . . . 33 LYS N . 11376 1 333 . 1 1 34 34 ALA H H 1 7.763 0.030 . 1 . . . . 34 ALA H . 11376 1 334 . 1 1 34 34 ALA HA H 1 4.169 0.030 . 1 . . . . 34 ALA HA . 11376 1 335 . 1 1 34 34 ALA HB1 H 1 1.533 0.030 . 1 . . . . 34 ALA HB . 11376 1 336 . 1 1 34 34 ALA HB2 H 1 1.533 0.030 . 1 . . . . 34 ALA HB . 11376 1 337 . 1 1 34 34 ALA HB3 H 1 1.533 0.030 . 1 . . . . 34 ALA HB . 11376 1 338 . 1 1 34 34 ALA C C 13 180.322 0.300 . 1 . . . . 34 ALA C . 11376 1 339 . 1 1 34 34 ALA CA C 13 54.804 0.300 . 1 . . . . 34 ALA CA . 11376 1 340 . 1 1 34 34 ALA CB C 13 18.164 0.300 . 1 . . . . 34 ALA CB . 11376 1 341 . 1 1 34 34 ALA N N 15 118.259 0.300 . 1 . . . . 34 ALA N . 11376 1 342 . 1 1 35 35 ALA H H 1 7.845 0.030 . 1 . . . . 35 ALA H . 11376 1 343 . 1 1 35 35 ALA HA H 1 4.199 0.030 . 1 . . . . 35 ALA HA . 11376 1 344 . 1 1 35 35 ALA HB1 H 1 1.477 0.030 . 1 . . . . 35 ALA HB . 11376 1 345 . 1 1 35 35 ALA HB2 H 1 1.477 0.030 . 1 . . . . 35 ALA HB . 11376 1 346 . 1 1 35 35 ALA HB3 H 1 1.477 0.030 . 1 . . . . 35 ALA HB . 11376 1 347 . 1 1 35 35 ALA C C 13 177.786 0.300 . 1 . . . . 35 ALA C . 11376 1 348 . 1 1 35 35 ALA CA C 13 53.898 0.300 . 1 . . . . 35 ALA CA . 11376 1 349 . 1 1 35 35 ALA CB C 13 19.050 0.300 . 1 . . . . 35 ALA CB . 11376 1 350 . 1 1 35 35 ALA N N 15 117.995 0.300 . 1 . . . . 35 ALA N . 11376 1 351 . 1 1 36 36 PHE H H 1 7.994 0.030 . 1 . . . . 36 PHE H . 11376 1 352 . 1 1 36 36 PHE HA H 1 4.854 0.030 . 1 . . . . 36 PHE HA . 11376 1 353 . 1 1 36 36 PHE HB2 H 1 3.387 0.030 . 2 . . . . 36 PHE HB2 . 11376 1 354 . 1 1 36 36 PHE HB3 H 1 3.091 0.030 . 2 . . . . 36 PHE HB3 . 11376 1 355 . 1 1 36 36 PHE HD1 H 1 7.733 0.030 . 1 . . . . 36 PHE HD1 . 11376 1 356 . 1 1 36 36 PHE HD2 H 1 7.733 0.030 . 1 . . . . 36 PHE HD2 . 11376 1 357 . 1 1 36 36 PHE HE1 H 1 6.838 0.030 . 1 . . . . 36 PHE HE1 . 11376 1 358 . 1 1 36 36 PHE HE2 H 1 6.838 0.030 . 1 . . . . 36 PHE HE2 . 11376 1 359 . 1 1 36 36 PHE HZ H 1 6.774 0.030 . 1 . . . . 36 PHE HZ . 11376 1 360 . 1 1 36 36 PHE C C 13 175.387 0.300 . 1 . . . . 36 PHE C . 11376 1 361 . 1 1 36 36 PHE CA C 13 59.609 0.300 . 1 . . . . 36 PHE CA . 11376 1 362 . 1 1 36 36 PHE CB C 13 40.385 0.300 . 1 . . . . 36 PHE CB . 11376 1 363 . 1 1 36 36 PHE CD1 C 13 131.976 0.300 . 1 . . . . 36 PHE CD1 . 11376 1 364 . 1 1 36 36 PHE CD2 C 13 131.976 0.300 . 1 . . . . 36 PHE CD2 . 11376 1 365 . 1 1 36 36 PHE CE1 C 13 130.026 0.300 . 1 . . . . 36 PHE CE1 . 11376 1 366 . 1 1 36 36 PHE CE2 C 13 130.026 0.300 . 1 . . . . 36 PHE CE2 . 11376 1 367 . 1 1 36 36 PHE CZ C 13 129.185 0.300 . 1 . . . . 36 PHE CZ . 11376 1 368 . 1 1 36 36 PHE N N 15 112.030 0.300 . 1 . . . . 36 PHE N . 11376 1 369 . 1 1 37 37 ALA H H 1 8.045 0.030 . 1 . . . . 37 ALA H . 11376 1 370 . 1 1 37 37 ALA HA H 1 4.557 0.030 . 1 . . . . 37 ALA HA . 11376 1 371 . 1 1 37 37 ALA HB1 H 1 1.595 0.030 . 1 . . . . 37 ALA HB . 11376 1 372 . 1 1 37 37 ALA HB2 H 1 1.595 0.030 . 1 . . . . 37 ALA HB . 11376 1 373 . 1 1 37 37 ALA HB3 H 1 1.595 0.030 . 1 . . . . 37 ALA HB . 11376 1 374 . 1 1 37 37 ALA C C 13 176.367 0.300 . 1 . . . . 37 ALA C . 11376 1 375 . 1 1 37 37 ALA CA C 13 55.668 0.300 . 1 . . . . 37 ALA CA . 11376 1 376 . 1 1 37 37 ALA CB C 13 16.788 0.300 . 1 . . . . 37 ALA CB . 11376 1 377 . 1 1 37 37 ALA N N 15 125.047 0.300 . 1 . . . . 37 ALA N . 11376 1 378 . 1 1 38 38 PRO HA H 1 4.155 0.030 . 1 . . . . 38 PRO HA . 11376 1 379 . 1 1 38 38 PRO HB2 H 1 2.009 0.030 . 2 . . . . 38 PRO HB2 . 11376 1 380 . 1 1 38 38 PRO HB3 H 1 0.525 0.030 . 2 . . . . 38 PRO HB3 . 11376 1 381 . 1 1 38 38 PRO HD2 H 1 3.102 0.030 . 2 . . . . 38 PRO HD2 . 11376 1 382 . 1 1 38 38 PRO HD3 H 1 3.682 0.030 . 2 . . . . 38 PRO HD3 . 11376 1 383 . 1 1 38 38 PRO HG2 H 1 1.720 0.030 . 1 . . . . 38 PRO HG2 . 11376 1 384 . 1 1 38 38 PRO HG3 H 1 1.720 0.030 . 1 . . . . 38 PRO HG3 . 11376 1 385 . 1 1 38 38 PRO C C 13 177.362 0.300 . 1 . . . . 38 PRO C . 11376 1 386 . 1 1 38 38 PRO CA C 13 65.185 0.300 . 1 . . . . 38 PRO CA . 11376 1 387 . 1 1 38 38 PRO CB C 13 31.276 0.300 . 1 . . . . 38 PRO CB . 11376 1 388 . 1 1 38 38 PRO CD C 13 51.837 0.300 . 1 . . . . 38 PRO CD . 11376 1 389 . 1 1 38 38 PRO CG C 13 28.018 0.300 . 1 . . . . 38 PRO CG . 11376 1 390 . 1 1 39 39 PHE H H 1 7.719 0.030 . 1 . . . . 39 PHE H . 11376 1 391 . 1 1 39 39 PHE HA H 1 4.257 0.030 . 1 . . . . 39 PHE HA . 11376 1 392 . 1 1 39 39 PHE HB2 H 1 3.321 0.030 . 2 . . . . 39 PHE HB2 . 11376 1 393 . 1 1 39 39 PHE HB3 H 1 3.020 0.030 . 2 . . . . 39 PHE HB3 . 11376 1 394 . 1 1 39 39 PHE HD1 H 1 7.388 0.030 . 1 . . . . 39 PHE HD1 . 11376 1 395 . 1 1 39 39 PHE HD2 H 1 7.388 0.030 . 1 . . . . 39 PHE HD2 . 11376 1 396 . 1 1 39 39 PHE HE1 H 1 7.256 0.030 . 1 . . . . 39 PHE HE1 . 11376 1 397 . 1 1 39 39 PHE HE2 H 1 7.256 0.030 . 1 . . . . 39 PHE HE2 . 11376 1 398 . 1 1 39 39 PHE HZ H 1 7.049 0.030 . 1 . . . . 39 PHE HZ . 11376 1 399 . 1 1 39 39 PHE C C 13 174.496 0.300 . 1 . . . . 39 PHE C . 11376 1 400 . 1 1 39 39 PHE CA C 13 59.593 0.300 . 1 . . . . 39 PHE CA . 11376 1 401 . 1 1 39 39 PHE CB C 13 39.051 0.300 . 1 . . . . 39 PHE CB . 11376 1 402 . 1 1 39 39 PHE CD1 C 13 130.894 0.300 . 1 . . . . 39 PHE CD1 . 11376 1 403 . 1 1 39 39 PHE CD2 C 13 130.894 0.300 . 1 . . . . 39 PHE CD2 . 11376 1 404 . 1 1 39 39 PHE CE1 C 13 131.907 0.300 . 1 . . . . 39 PHE CE1 . 11376 1 405 . 1 1 39 39 PHE CE2 C 13 131.907 0.300 . 1 . . . . 39 PHE CE2 . 11376 1 406 . 1 1 39 39 PHE CZ C 13 129.311 0.300 . 1 . . . . 39 PHE CZ . 11376 1 407 . 1 1 39 39 PHE N N 15 112.601 0.300 . 1 . . . . 39 PHE N . 11376 1 408 . 1 1 40 40 GLY H H 1 7.622 0.030 . 1 . . . . 40 GLY H . 11376 1 409 . 1 1 40 40 GLY HA2 H 1 4.808 0.030 . 2 . . . . 40 GLY HA2 . 11376 1 410 . 1 1 40 40 GLY HA3 H 1 3.873 0.030 . 2 . . . . 40 GLY HA3 . 11376 1 411 . 1 1 40 40 GLY C C 13 171.591 0.300 . 1 . . . . 40 GLY C . 11376 1 412 . 1 1 40 40 GLY CA C 13 44.412 0.300 . 1 . . . . 40 GLY CA . 11376 1 413 . 1 1 40 40 GLY N N 15 104.629 0.300 . 1 . . . . 40 GLY N . 11376 1 414 . 1 1 41 41 ARG H H 1 8.256 0.030 . 1 . . . . 41 ARG H . 11376 1 415 . 1 1 41 41 ARG HA H 1 4.327 0.030 . 1 . . . . 41 ARG HA . 11376 1 416 . 1 1 41 41 ARG HB2 H 1 1.956 0.030 . 1 . . . . 41 ARG HB2 . 11376 1 417 . 1 1 41 41 ARG HB3 H 1 1.956 0.030 . 1 . . . . 41 ARG HB3 . 11376 1 418 . 1 1 41 41 ARG HD2 H 1 2.961 0.030 . 2 . . . . 41 ARG HD2 . 11376 1 419 . 1 1 41 41 ARG HD3 H 1 3.106 0.030 . 2 . . . . 41 ARG HD3 . 11376 1 420 . 1 1 41 41 ARG HG2 H 1 1.656 0.030 . 2 . . . . 41 ARG HG2 . 11376 1 421 . 1 1 41 41 ARG HG3 H 1 1.855 0.030 . 2 . . . . 41 ARG HG3 . 11376 1 422 . 1 1 41 41 ARG C C 13 177.002 0.300 . 1 . . . . 41 ARG C . 11376 1 423 . 1 1 41 41 ARG CA C 13 57.806 0.300 . 1 . . . . 41 ARG CA . 11376 1 424 . 1 1 41 41 ARG CB C 13 30.998 0.300 . 1 . . . . 41 ARG CB . 11376 1 425 . 1 1 41 41 ARG CD C 13 43.509 0.300 . 1 . . . . 41 ARG CD . 11376 1 426 . 1 1 41 41 ARG CG C 13 27.674 0.300 . 1 . . . . 41 ARG CG . 11376 1 427 . 1 1 41 41 ARG N N 15 117.026 0.300 . 1 . . . . 41 ARG N . 11376 1 428 . 1 1 42 42 ILE H H 1 8.513 0.030 . 1 . . . . 42 ILE H . 11376 1 429 . 1 1 42 42 ILE HA H 1 4.247 0.030 . 1 . . . . 42 ILE HA . 11376 1 430 . 1 1 42 42 ILE HB H 1 1.605 0.030 . 1 . . . . 42 ILE HB . 11376 1 431 . 1 1 42 42 ILE HD11 H 1 0.690 0.030 . 1 . . . . 42 ILE HD1 . 11376 1 432 . 1 1 42 42 ILE HD12 H 1 0.690 0.030 . 1 . . . . 42 ILE HD1 . 11376 1 433 . 1 1 42 42 ILE HD13 H 1 0.690 0.030 . 1 . . . . 42 ILE HD1 . 11376 1 434 . 1 1 42 42 ILE HG12 H 1 1.754 0.030 . 2 . . . . 42 ILE HG12 . 11376 1 435 . 1 1 42 42 ILE HG13 H 1 0.211 0.030 . 2 . . . . 42 ILE HG13 . 11376 1 436 . 1 1 42 42 ILE HG21 H 1 0.599 0.030 . 1 . . . . 42 ILE HG2 . 11376 1 437 . 1 1 42 42 ILE HG22 H 1 0.599 0.030 . 1 . . . . 42 ILE HG2 . 11376 1 438 . 1 1 42 42 ILE HG23 H 1 0.599 0.030 . 1 . . . . 42 ILE HG2 . 11376 1 439 . 1 1 42 42 ILE C C 13 176.706 0.300 . 1 . . . . 42 ILE C . 11376 1 440 . 1 1 42 42 ILE CA C 13 60.488 0.300 . 1 . . . . 42 ILE CA . 11376 1 441 . 1 1 42 42 ILE CB C 13 40.887 0.300 . 1 . . . . 42 ILE CB . 11376 1 442 . 1 1 42 42 ILE CD1 C 13 14.359 0.300 . 1 . . . . 42 ILE CD1 . 11376 1 443 . 1 1 42 42 ILE CG1 C 13 27.868 0.300 . 1 . . . . 42 ILE CG1 . 11376 1 444 . 1 1 42 42 ILE CG2 C 13 17.438 0.300 . 1 . . . . 42 ILE CG2 . 11376 1 445 . 1 1 42 42 ILE N N 15 128.046 0.300 . 1 . . . . 42 ILE N . 11376 1 446 . 1 1 43 43 SER H H 1 8.853 0.030 . 1 . . . . 43 SER H . 11376 1 447 . 1 1 43 43 SER HA H 1 4.210 0.030 . 1 . . . . 43 SER HA . 11376 1 448 . 1 1 43 43 SER HB2 H 1 2.986 0.030 . 2 . . . . 43 SER HB2 . 11376 1 449 . 1 1 43 43 SER HB3 H 1 2.060 0.030 . 2 . . . . 43 SER HB3 . 11376 1 450 . 1 1 43 43 SER C C 13 174.628 0.300 . 1 . . . . 43 SER C . 11376 1 451 . 1 1 43 43 SER CA C 13 58.011 0.300 . 1 . . . . 43 SER CA . 11376 1 452 . 1 1 43 43 SER CB C 13 63.215 0.300 . 1 . . . . 43 SER CB . 11376 1 453 . 1 1 43 43 SER N N 15 123.312 0.300 . 1 . . . . 43 SER N . 11376 1 454 . 1 1 44 44 ASP H H 1 7.291 0.030 . 1 . . . . 44 ASP H . 11376 1 455 . 1 1 44 44 ASP HA H 1 4.661 0.030 . 1 . . . . 44 ASP HA . 11376 1 456 . 1 1 44 44 ASP HB2 H 1 2.752 0.030 . 2 . . . . 44 ASP HB2 . 11376 1 457 . 1 1 44 44 ASP HB3 H 1 2.266 0.030 . 2 . . . . 44 ASP HB3 . 11376 1 458 . 1 1 44 44 ASP C C 13 172.702 0.300 . 1 . . . . 44 ASP C . 11376 1 459 . 1 1 44 44 ASP CA C 13 53.690 0.300 . 1 . . . . 44 ASP CA . 11376 1 460 . 1 1 44 44 ASP CB C 13 43.814 0.300 . 1 . . . . 44 ASP CB . 11376 1 461 . 1 1 44 44 ASP N N 15 119.599 0.300 . 1 . . . . 44 ASP N . 11376 1 462 . 1 1 45 45 ALA H H 1 7.990 0.030 . 1 . . . . 45 ALA H . 11376 1 463 . 1 1 45 45 ALA HA H 1 4.946 0.030 . 1 . . . . 45 ALA HA . 11376 1 464 . 1 1 45 45 ALA HB1 H 1 1.221 0.030 . 1 . . . . 45 ALA HB . 11376 1 465 . 1 1 45 45 ALA HB2 H 1 1.221 0.030 . 1 . . . . 45 ALA HB . 11376 1 466 . 1 1 45 45 ALA HB3 H 1 1.221 0.030 . 1 . . . . 45 ALA HB . 11376 1 467 . 1 1 45 45 ALA C C 13 175.242 0.300 . 1 . . . . 45 ALA C . 11376 1 468 . 1 1 45 45 ALA CA C 13 51.736 0.300 . 1 . . . . 45 ALA CA . 11376 1 469 . 1 1 45 45 ALA CB C 13 22.543 0.300 . 1 . . . . 45 ALA CB . 11376 1 470 . 1 1 45 45 ALA N N 15 121.427 0.300 . 1 . . . . 45 ALA N . 11376 1 471 . 1 1 46 46 ARG H H 1 8.658 0.030 . 1 . . . . 46 ARG H . 11376 1 472 . 1 1 46 46 ARG HA H 1 4.679 0.030 . 1 . . . . 46 ARG HA . 11376 1 473 . 1 1 46 46 ARG HB2 H 1 1.854 0.030 . 2 . . . . 46 ARG HB2 . 11376 1 474 . 1 1 46 46 ARG HB3 H 1 1.672 0.030 . 2 . . . . 46 ARG HB3 . 11376 1 475 . 1 1 46 46 ARG HD2 H 1 3.169 0.030 . 1 . . . . 46 ARG HD2 . 11376 1 476 . 1 1 46 46 ARG HD3 H 1 3.169 0.030 . 1 . . . . 46 ARG HD3 . 11376 1 477 . 1 1 46 46 ARG HG2 H 1 1.492 0.030 . 2 . . . . 46 ARG HG2 . 11376 1 478 . 1 1 46 46 ARG HG3 H 1 1.416 0.030 . 2 . . . . 46 ARG HG3 . 11376 1 479 . 1 1 46 46 ARG C C 13 174.368 0.300 . 1 . . . . 46 ARG C . 11376 1 480 . 1 1 46 46 ARG CA C 13 55.894 0.300 . 1 . . . . 46 ARG CA . 11376 1 481 . 1 1 46 46 ARG CB C 13 32.868 0.300 . 1 . . . . 46 ARG CB . 11376 1 482 . 1 1 46 46 ARG CD C 13 43.425 0.300 . 1 . . . . 46 ARG CD . 11376 1 483 . 1 1 46 46 ARG CG C 13 26.505 0.300 . 1 . . . . 46 ARG CG . 11376 1 484 . 1 1 46 46 ARG N N 15 115.616 0.300 . 1 . . . . 46 ARG N . 11376 1 485 . 1 1 47 47 VAL H H 1 7.653 0.030 . 1 . . . . 47 VAL H . 11376 1 486 . 1 1 47 47 VAL HA H 1 3.879 0.030 . 1 . . . . 47 VAL HA . 11376 1 487 . 1 1 47 47 VAL HB H 1 1.710 0.030 . 1 . . . . 47 VAL HB . 11376 1 488 . 1 1 47 47 VAL HG11 H 1 0.598 0.030 . 1 . . . . 47 VAL HG1 . 11376 1 489 . 1 1 47 47 VAL HG12 H 1 0.598 0.030 . 1 . . . . 47 VAL HG1 . 11376 1 490 . 1 1 47 47 VAL HG13 H 1 0.598 0.030 . 1 . . . . 47 VAL HG1 . 11376 1 491 . 1 1 47 47 VAL HG21 H 1 0.725 0.030 . 1 . . . . 47 VAL HG2 . 11376 1 492 . 1 1 47 47 VAL HG22 H 1 0.725 0.030 . 1 . . . . 47 VAL HG2 . 11376 1 493 . 1 1 47 47 VAL HG23 H 1 0.725 0.030 . 1 . . . . 47 VAL HG2 . 11376 1 494 . 1 1 47 47 VAL C C 13 175.892 0.300 . 1 . . . . 47 VAL C . 11376 1 495 . 1 1 47 47 VAL CA C 13 63.046 0.300 . 1 . . . . 47 VAL CA . 11376 1 496 . 1 1 47 47 VAL CB C 13 33.075 0.300 . 1 . . . . 47 VAL CB . 11376 1 497 . 1 1 47 47 VAL CG1 C 13 22.771 0.300 . 2 . . . . 47 VAL CG1 . 11376 1 498 . 1 1 47 47 VAL CG2 C 13 20.706 0.300 . 2 . . . . 47 VAL CG2 . 11376 1 499 . 1 1 47 47 VAL N N 15 123.653 0.300 . 1 . . . . 47 VAL N . 11376 1 500 . 1 1 48 48 VAL H H 1 8.465 0.030 . 1 . . . . 48 VAL H . 11376 1 501 . 1 1 48 48 VAL HA H 1 3.654 0.030 . 1 . . . . 48 VAL HA . 11376 1 502 . 1 1 48 48 VAL HB H 1 1.039 0.030 . 1 . . . . 48 VAL HB . 11376 1 503 . 1 1 48 48 VAL HG11 H 1 0.881 0.030 . 1 . . . . 48 VAL HG1 . 11376 1 504 . 1 1 48 48 VAL HG12 H 1 0.881 0.030 . 1 . . . . 48 VAL HG1 . 11376 1 505 . 1 1 48 48 VAL HG13 H 1 0.881 0.030 . 1 . . . . 48 VAL HG1 . 11376 1 506 . 1 1 48 48 VAL HG21 H 1 0.806 0.030 . 1 . . . . 48 VAL HG2 . 11376 1 507 . 1 1 48 48 VAL HG22 H 1 0.806 0.030 . 1 . . . . 48 VAL HG2 . 11376 1 508 . 1 1 48 48 VAL HG23 H 1 0.806 0.030 . 1 . . . . 48 VAL HG2 . 11376 1 509 . 1 1 48 48 VAL C C 13 173.982 0.300 . 1 . . . . 48 VAL C . 11376 1 510 . 1 1 48 48 VAL CA C 13 64.305 0.300 . 1 . . . . 48 VAL CA . 11376 1 511 . 1 1 48 48 VAL CB C 13 30.668 0.300 . 1 . . . . 48 VAL CB . 11376 1 512 . 1 1 48 48 VAL CG1 C 13 22.521 0.300 . 2 . . . . 48 VAL CG1 . 11376 1 513 . 1 1 48 48 VAL CG2 C 13 21.272 0.300 . 2 . . . . 48 VAL CG2 . 11376 1 514 . 1 1 48 48 VAL N N 15 130.505 0.300 . 1 . . . . 48 VAL N . 11376 1 515 . 1 1 49 49 LYS H H 1 8.123 0.030 . 1 . . . . 49 LYS H . 11376 1 516 . 1 1 49 49 LYS HA H 1 4.752 0.030 . 1 . . . . 49 LYS HA . 11376 1 517 . 1 1 49 49 LYS HB2 H 1 1.493 0.030 . 2 . . . . 49 LYS HB2 . 11376 1 518 . 1 1 49 49 LYS HB3 H 1 1.343 0.030 . 2 . . . . 49 LYS HB3 . 11376 1 519 . 1 1 49 49 LYS HD2 H 1 1.549 0.030 . 1 . . . . 49 LYS HD2 . 11376 1 520 . 1 1 49 49 LYS HD3 H 1 1.549 0.030 . 1 . . . . 49 LYS HD3 . 11376 1 521 . 1 1 49 49 LYS HE2 H 1 2.932 0.030 . 1 . . . . 49 LYS HE2 . 11376 1 522 . 1 1 49 49 LYS HE3 H 1 2.932 0.030 . 1 . . . . 49 LYS HE3 . 11376 1 523 . 1 1 49 49 LYS HG2 H 1 1.092 0.030 . 2 . . . . 49 LYS HG2 . 11376 1 524 . 1 1 49 49 LYS HG3 H 1 1.320 0.030 . 2 . . . . 49 LYS HG3 . 11376 1 525 . 1 1 49 49 LYS C C 13 175.861 0.300 . 1 . . . . 49 LYS C . 11376 1 526 . 1 1 49 49 LYS CA C 13 53.905 0.300 . 1 . . . . 49 LYS CA . 11376 1 527 . 1 1 49 49 LYS CB C 13 35.544 0.300 . 1 . . . . 49 LYS CB . 11376 1 528 . 1 1 49 49 LYS CD C 13 29.184 0.300 . 1 . . . . 49 LYS CD . 11376 1 529 . 1 1 49 49 LYS CE C 13 42.093 0.300 . 1 . . . . 49 LYS CE . 11376 1 530 . 1 1 49 49 LYS CG C 13 24.686 0.300 . 1 . . . . 49 LYS CG . 11376 1 531 . 1 1 49 49 LYS N N 15 125.202 0.300 . 1 . . . . 49 LYS N . 11376 1 532 . 1 1 50 50 ASP H H 1 8.668 0.030 . 1 . . . . 50 ASP H . 11376 1 533 . 1 1 50 50 ASP HA H 1 4.535 0.030 . 1 . . . . 50 ASP HA . 11376 1 534 . 1 1 50 50 ASP HB2 H 1 3.078 0.030 . 2 . . . . 50 ASP HB2 . 11376 1 535 . 1 1 50 50 ASP HB3 H 1 2.424 0.030 . 2 . . . . 50 ASP HB3 . 11376 1 536 . 1 1 50 50 ASP C C 13 177.414 0.300 . 1 . . . . 50 ASP C . 11376 1 537 . 1 1 50 50 ASP CA C 13 53.725 0.300 . 1 . . . . 50 ASP CA . 11376 1 538 . 1 1 50 50 ASP CB C 13 42.689 0.300 . 1 . . . . 50 ASP CB . 11376 1 539 . 1 1 50 50 ASP N N 15 121.918 0.300 . 1 . . . . 50 ASP N . 11376 1 540 . 1 1 51 51 MET H H 1 9.019 0.030 . 1 . . . . 51 MET H . 11376 1 541 . 1 1 51 51 MET HA H 1 4.235 0.030 . 1 . . . . 51 MET HA . 11376 1 542 . 1 1 51 51 MET HB2 H 1 2.121 0.030 . 1 . . . . 51 MET HB2 . 11376 1 543 . 1 1 51 51 MET HB3 H 1 2.121 0.030 . 1 . . . . 51 MET HB3 . 11376 1 544 . 1 1 51 51 MET HE1 H 1 2.112 0.030 . 1 . . . . 51 MET HE . 11376 1 545 . 1 1 51 51 MET HE2 H 1 2.112 0.030 . 1 . . . . 51 MET HE . 11376 1 546 . 1 1 51 51 MET HE3 H 1 2.112 0.030 . 1 . . . . 51 MET HE . 11376 1 547 . 1 1 51 51 MET HG2 H 1 2.746 0.030 . 2 . . . . 51 MET HG2 . 11376 1 548 . 1 1 51 51 MET HG3 H 1 2.610 0.030 . 2 . . . . 51 MET HG3 . 11376 1 549 . 1 1 51 51 MET C C 13 177.419 0.300 . 1 . . . . 51 MET C . 11376 1 550 . 1 1 51 51 MET CA C 13 57.378 0.300 . 1 . . . . 51 MET CA . 11376 1 551 . 1 1 51 51 MET CB C 13 31.677 0.300 . 1 . . . . 51 MET CB . 11376 1 552 . 1 1 51 51 MET CE C 13 16.800 0.300 . 1 . . . . 51 MET CE . 11376 1 553 . 1 1 51 51 MET CG C 13 32.238 0.300 . 1 . . . . 51 MET CG . 11376 1 554 . 1 1 51 51 MET N N 15 127.036 0.300 . 1 . . . . 51 MET N . 11376 1 555 . 1 1 52 52 ALA H H 1 8.571 0.030 . 1 . . . . 52 ALA H . 11376 1 556 . 1 1 52 52 ALA HA H 1 4.358 0.030 . 1 . . . . 52 ALA HA . 11376 1 557 . 1 1 52 52 ALA HB1 H 1 1.532 0.030 . 1 . . . . 52 ALA HB . 11376 1 558 . 1 1 52 52 ALA HB2 H 1 1.532 0.030 . 1 . . . . 52 ALA HB . 11376 1 559 . 1 1 52 52 ALA HB3 H 1 1.532 0.030 . 1 . . . . 52 ALA HB . 11376 1 560 . 1 1 52 52 ALA C C 13 179.656 0.300 . 1 . . . . 52 ALA C . 11376 1 561 . 1 1 52 52 ALA CA C 13 54.397 0.300 . 1 . . . . 52 ALA CA . 11376 1 562 . 1 1 52 52 ALA CB C 13 19.306 0.300 . 1 . . . . 52 ALA CB . 11376 1 563 . 1 1 52 52 ALA N N 15 120.755 0.300 . 1 . . . . 52 ALA N . 11376 1 564 . 1 1 53 53 THR H H 1 7.780 0.030 . 1 . . . . 53 THR H . 11376 1 565 . 1 1 53 53 THR HA H 1 4.452 0.030 . 1 . . . . 53 THR HA . 11376 1 566 . 1 1 53 53 THR HB H 1 4.334 0.030 . 1 . . . . 53 THR HB . 11376 1 567 . 1 1 53 53 THR HG21 H 1 1.215 0.030 . 1 . . . . 53 THR HG2 . 11376 1 568 . 1 1 53 53 THR HG22 H 1 1.215 0.030 . 1 . . . . 53 THR HG2 . 11376 1 569 . 1 1 53 53 THR HG23 H 1 1.215 0.030 . 1 . . . . 53 THR HG2 . 11376 1 570 . 1 1 53 53 THR C C 13 176.579 0.300 . 1 . . . . 53 THR C . 11376 1 571 . 1 1 53 53 THR CA C 13 61.465 0.300 . 1 . . . . 53 THR CA . 11376 1 572 . 1 1 53 53 THR CB C 13 71.431 0.300 . 1 . . . . 53 THR CB . 11376 1 573 . 1 1 53 53 THR CG2 C 13 21.131 0.300 . 1 . . . . 53 THR CG2 . 11376 1 574 . 1 1 53 53 THR N N 15 104.905 0.300 . 1 . . . . 53 THR N . 11376 1 575 . 1 1 54 54 GLY H H 1 8.440 0.030 . 1 . . . . 54 GLY H . 11376 1 576 . 1 1 54 54 GLY HA2 H 1 4.203 0.030 . 2 . . . . 54 GLY HA2 . 11376 1 577 . 1 1 54 54 GLY HA3 H 1 3.765 0.030 . 2 . . . . 54 GLY HA3 . 11376 1 578 . 1 1 54 54 GLY C C 13 173.614 0.300 . 1 . . . . 54 GLY C . 11376 1 579 . 1 1 54 54 GLY CA C 13 45.793 0.300 . 1 . . . . 54 GLY CA . 11376 1 580 . 1 1 54 54 GLY N N 15 111.364 0.300 . 1 . . . . 54 GLY N . 11376 1 581 . 1 1 55 55 LYS H H 1 7.720 0.030 . 1 . . . . 55 LYS H . 11376 1 582 . 1 1 55 55 LYS HA H 1 4.311 0.030 . 1 . . . . 55 LYS HA . 11376 1 583 . 1 1 55 55 LYS HB2 H 1 1.851 0.030 . 2 . . . . 55 LYS HB2 . 11376 1 584 . 1 1 55 55 LYS HB3 H 1 1.688 0.030 . 2 . . . . 55 LYS HB3 . 11376 1 585 . 1 1 55 55 LYS HD2 H 1 1.670 0.030 . 1 . . . . 55 LYS HD2 . 11376 1 586 . 1 1 55 55 LYS HD3 H 1 1.670 0.030 . 1 . . . . 55 LYS HD3 . 11376 1 587 . 1 1 55 55 LYS HE2 H 1 2.997 0.030 . 1 . . . . 55 LYS HE2 . 11376 1 588 . 1 1 55 55 LYS HE3 H 1 2.997 0.030 . 1 . . . . 55 LYS HE3 . 11376 1 589 . 1 1 55 55 LYS HG2 H 1 1.424 0.030 . 1 . . . . 55 LYS HG2 . 11376 1 590 . 1 1 55 55 LYS HG3 H 1 1.424 0.030 . 1 . . . . 55 LYS HG3 . 11376 1 591 . 1 1 55 55 LYS C C 13 176.356 0.300 . 1 . . . . 55 LYS C . 11376 1 592 . 1 1 55 55 LYS CA C 13 55.665 0.300 . 1 . . . . 55 LYS CA . 11376 1 593 . 1 1 55 55 LYS CB C 13 33.743 0.300 . 1 . . . . 55 LYS CB . 11376 1 594 . 1 1 55 55 LYS CD C 13 29.100 0.300 . 1 . . . . 55 LYS CD . 11376 1 595 . 1 1 55 55 LYS CE C 13 42.093 0.300 . 1 . . . . 55 LYS CE . 11376 1 596 . 1 1 55 55 LYS CG C 13 24.936 0.300 . 1 . . . . 55 LYS CG . 11376 1 597 . 1 1 55 55 LYS N N 15 119.196 0.300 . 1 . . . . 55 LYS N . 11376 1 598 . 1 1 56 56 SER H H 1 8.763 0.030 . 1 . . . . 56 SER H . 11376 1 599 . 1 1 56 56 SER HA H 1 4.246 0.030 . 1 . . . . 56 SER HA . 11376 1 600 . 1 1 56 56 SER HB2 H 1 3.736 0.030 . 2 . . . . 56 SER HB2 . 11376 1 601 . 1 1 56 56 SER HB3 H 1 4.088 0.030 . 2 . . . . 56 SER HB3 . 11376 1 602 . 1 1 56 56 SER C C 13 177.161 0.300 . 1 . . . . 56 SER C . 11376 1 603 . 1 1 56 56 SER CA C 13 58.442 0.300 . 1 . . . . 56 SER CA . 11376 1 604 . 1 1 56 56 SER CB C 13 64.022 0.300 . 1 . . . . 56 SER CB . 11376 1 605 . 1 1 56 56 SER N N 15 115.359 0.300 . 1 . . . . 56 SER N . 11376 1 606 . 1 1 57 57 LYS H H 1 9.305 0.030 . 1 . . . . 57 LYS H . 11376 1 607 . 1 1 57 57 LYS HA H 1 4.397 0.030 . 1 . . . . 57 LYS HA . 11376 1 608 . 1 1 57 57 LYS HB2 H 1 2.043 0.030 . 2 . . . . 57 LYS HB2 . 11376 1 609 . 1 1 57 57 LYS HB3 H 1 1.165 0.030 . 2 . . . . 57 LYS HB3 . 11376 1 610 . 1 1 57 57 LYS HD2 H 1 1.713 0.030 . 2 . . . . 57 LYS HD2 . 11376 1 611 . 1 1 57 57 LYS HD3 H 1 1.663 0.030 . 2 . . . . 57 LYS HD3 . 11376 1 612 . 1 1 57 57 LYS HE2 H 1 3.029 0.030 . 1 . . . . 57 LYS HE2 . 11376 1 613 . 1 1 57 57 LYS HE3 H 1 3.029 0.030 . 1 . . . . 57 LYS HE3 . 11376 1 614 . 1 1 57 57 LYS HG2 H 1 1.368 0.030 . 1 . . . . 57 LYS HG2 . 11376 1 615 . 1 1 57 57 LYS HG3 H 1 1.368 0.030 . 1 . . . . 57 LYS HG3 . 11376 1 616 . 1 1 57 57 LYS C C 13 177.349 0.300 . 1 . . . . 57 LYS C . 11376 1 617 . 1 1 57 57 LYS CA C 13 56.559 0.300 . 1 . . . . 57 LYS CA . 11376 1 618 . 1 1 57 57 LYS CB C 13 32.455 0.300 . 1 . . . . 57 LYS CB . 11376 1 619 . 1 1 57 57 LYS CD C 13 29.056 0.300 . 1 . . . . 57 LYS CD . 11376 1 620 . 1 1 57 57 LYS CE C 13 41.843 0.300 . 1 . . . . 57 LYS CE . 11376 1 621 . 1 1 57 57 LYS CG C 13 26.083 0.300 . 1 . . . . 57 LYS CG . 11376 1 622 . 1 1 57 57 LYS N N 15 125.906 0.300 . 1 . . . . 57 LYS N . 11376 1 623 . 1 1 58 58 GLY H H 1 9.249 0.030 . 1 . . . . 58 GLY H . 11376 1 624 . 1 1 58 58 GLY HA2 H 1 4.214 0.030 . 2 . . . . 58 GLY HA2 . 11376 1 625 . 1 1 58 58 GLY HA3 H 1 3.626 0.030 . 2 . . . . 58 GLY HA3 . 11376 1 626 . 1 1 58 58 GLY C C 13 172.727 0.300 . 1 . . . . 58 GLY C . 11376 1 627 . 1 1 58 58 GLY CA C 13 45.874 0.300 . 1 . . . . 58 GLY CA . 11376 1 628 . 1 1 58 58 GLY N N 15 107.172 0.300 . 1 . . . . 58 GLY N . 11376 1 629 . 1 1 59 59 TYR H H 1 7.096 0.030 . 1 . . . . 59 TYR H . 11376 1 630 . 1 1 59 59 TYR HA H 1 5.055 0.030 . 1 . . . . 59 TYR HA . 11376 1 631 . 1 1 59 59 TYR HB2 H 1 3.134 0.030 . 2 . . . . 59 TYR HB2 . 11376 1 632 . 1 1 59 59 TYR HB3 H 1 2.804 0.030 . 2 . . . . 59 TYR HB3 . 11376 1 633 . 1 1 59 59 TYR HD1 H 1 6.681 0.030 . 1 . . . . 59 TYR HD1 . 11376 1 634 . 1 1 59 59 TYR HD2 H 1 6.681 0.030 . 1 . . . . 59 TYR HD2 . 11376 1 635 . 1 1 59 59 TYR HE1 H 1 6.837 0.030 . 1 . . . . 59 TYR HE1 . 11376 1 636 . 1 1 59 59 TYR HE2 H 1 6.837 0.030 . 1 . . . . 59 TYR HE2 . 11376 1 637 . 1 1 59 59 TYR C C 13 172.212 0.300 . 1 . . . . 59 TYR C . 11376 1 638 . 1 1 59 59 TYR CA C 13 55.186 0.300 . 1 . . . . 59 TYR CA . 11376 1 639 . 1 1 59 59 TYR CB C 13 40.468 0.300 . 1 . . . . 59 TYR CB . 11376 1 640 . 1 1 59 59 TYR CD1 C 13 133.992 0.300 . 1 . . . . 59 TYR CD1 . 11376 1 641 . 1 1 59 59 TYR CD2 C 13 133.992 0.300 . 1 . . . . 59 TYR CD2 . 11376 1 642 . 1 1 59 59 TYR CE1 C 13 117.944 0.300 . 1 . . . . 59 TYR CE1 . 11376 1 643 . 1 1 59 59 TYR CE2 C 13 117.944 0.300 . 1 . . . . 59 TYR CE2 . 11376 1 644 . 1 1 59 59 TYR N N 15 112.882 0.300 . 1 . . . . 59 TYR N . 11376 1 645 . 1 1 60 60 GLY H H 1 8.843 0.030 . 1 . . . . 60 GLY H . 11376 1 646 . 1 1 60 60 GLY HA2 H 1 4.096 0.030 . 2 . . . . 60 GLY HA2 . 11376 1 647 . 1 1 60 60 GLY HA3 H 1 3.802 0.030 . 2 . . . . 60 GLY HA3 . 11376 1 648 . 1 1 60 60 GLY C C 13 179.440 0.300 . 1 . . . . 60 GLY C . 11376 1 649 . 1 1 60 60 GLY CA C 13 45.292 0.300 . 1 . . . . 60 GLY CA . 11376 1 650 . 1 1 60 60 GLY N N 15 106.295 0.300 . 1 . . . . 60 GLY N . 11376 1 651 . 1 1 61 61 PHE H H 1 8.477 0.030 . 1 . . . . 61 PHE H . 11376 1 652 . 1 1 61 61 PHE HA H 1 5.806 0.030 . 1 . . . . 61 PHE HA . 11376 1 653 . 1 1 61 61 PHE HB2 H 1 2.990 0.030 . 2 . . . . 61 PHE HB2 . 11376 1 654 . 1 1 61 61 PHE HB3 H 1 2.534 0.030 . 2 . . . . 61 PHE HB3 . 11376 1 655 . 1 1 61 61 PHE HD1 H 1 7.000 0.030 . 1 . . . . 61 PHE HD1 . 11376 1 656 . 1 1 61 61 PHE HD2 H 1 7.000 0.030 . 1 . . . . 61 PHE HD2 . 11376 1 657 . 1 1 61 61 PHE HE1 H 1 7.480 0.030 . 1 . . . . 61 PHE HE1 . 11376 1 658 . 1 1 61 61 PHE HE2 H 1 7.480 0.030 . 1 . . . . 61 PHE HE2 . 11376 1 659 . 1 1 61 61 PHE HZ H 1 7.480 0.030 . 1 . . . . 61 PHE HZ . 11376 1 660 . 1 1 61 61 PHE C C 13 174.521 0.300 . 1 . . . . 61 PHE C . 11376 1 661 . 1 1 61 61 PHE CA C 13 55.859 0.300 . 1 . . . . 61 PHE CA . 11376 1 662 . 1 1 61 61 PHE CB C 13 44.643 0.300 . 1 . . . . 61 PHE CB . 11376 1 663 . 1 1 61 61 PHE CD1 C 13 131.612 0.300 . 1 . . . . 61 PHE CD1 . 11376 1 664 . 1 1 61 61 PHE CD2 C 13 131.612 0.300 . 1 . . . . 61 PHE CD2 . 11376 1 665 . 1 1 61 61 PHE CE1 C 13 131.397 0.300 . 1 . . . . 61 PHE CE1 . 11376 1 666 . 1 1 61 61 PHE CE2 C 13 131.397 0.300 . 1 . . . . 61 PHE CE2 . 11376 1 667 . 1 1 61 61 PHE CZ C 13 129.516 0.300 . 1 . . . . 61 PHE CZ . 11376 1 668 . 1 1 61 61 PHE N N 15 113.800 0.300 . 1 . . . . 61 PHE N . 11376 1 669 . 1 1 62 62 VAL H H 1 8.975 0.030 . 1 . . . . 62 VAL H . 11376 1 670 . 1 1 62 62 VAL HA H 1 4.287 0.030 . 1 . . . . 62 VAL HA . 11376 1 671 . 1 1 62 62 VAL HB H 1 1.326 0.030 . 1 . . . . 62 VAL HB . 11376 1 672 . 1 1 62 62 VAL HG11 H 1 0.270 0.030 . 1 . . . . 62 VAL HG1 . 11376 1 673 . 1 1 62 62 VAL HG12 H 1 0.270 0.030 . 1 . . . . 62 VAL HG1 . 11376 1 674 . 1 1 62 62 VAL HG13 H 1 0.270 0.030 . 1 . . . . 62 VAL HG1 . 11376 1 675 . 1 1 62 62 VAL HG21 H 1 0.153 0.030 . 1 . . . . 62 VAL HG2 . 11376 1 676 . 1 1 62 62 VAL HG22 H 1 0.153 0.030 . 1 . . . . 62 VAL HG2 . 11376 1 677 . 1 1 62 62 VAL HG23 H 1 0.153 0.030 . 1 . . . . 62 VAL HG2 . 11376 1 678 . 1 1 62 62 VAL C C 13 173.690 0.300 . 1 . . . . 62 VAL C . 11376 1 679 . 1 1 62 62 VAL CA C 13 61.354 0.300 . 1 . . . . 62 VAL CA . 11376 1 680 . 1 1 62 62 VAL CB C 13 34.892 0.300 . 1 . . . . 62 VAL CB . 11376 1 681 . 1 1 62 62 VAL CG1 C 13 22.188 0.300 . 2 . . . . 62 VAL CG1 . 11376 1 682 . 1 1 62 62 VAL CG2 C 13 20.837 0.300 . 2 . . . . 62 VAL CG2 . 11376 1 683 . 1 1 62 62 VAL N N 15 119.925 0.300 . 1 . . . . 62 VAL N . 11376 1 684 . 1 1 63 63 SER H H 1 8.781 0.030 . 1 . . . . 63 SER H . 11376 1 685 . 1 1 63 63 SER HA H 1 5.525 0.030 . 1 . . . . 63 SER HA . 11376 1 686 . 1 1 63 63 SER HB2 H 1 3.454 0.030 . 1 . . . . 63 SER HB2 . 11376 1 687 . 1 1 63 63 SER HB3 H 1 3.454 0.030 . 1 . . . . 63 SER HB3 . 11376 1 688 . 1 1 63 63 SER C C 13 172.763 0.300 . 1 . . . . 63 SER C . 11376 1 689 . 1 1 63 63 SER CA C 13 57.453 0.300 . 1 . . . . 63 SER CA . 11376 1 690 . 1 1 63 63 SER CB C 13 64.156 0.300 . 1 . . . . 63 SER CB . 11376 1 691 . 1 1 63 63 SER N N 15 122.342 0.300 . 1 . . . . 63 SER N . 11376 1 692 . 1 1 64 64 PHE H H 1 9.269 0.030 . 1 . . . . 64 PHE H . 11376 1 693 . 1 1 64 64 PHE HA H 1 5.023 0.030 . 1 . . . . 64 PHE HA . 11376 1 694 . 1 1 64 64 PHE HB2 H 1 2.798 0.030 . 2 . . . . 64 PHE HB2 . 11376 1 695 . 1 1 64 64 PHE HB3 H 1 3.885 0.030 . 2 . . . . 64 PHE HB3 . 11376 1 696 . 1 1 64 64 PHE HD1 H 1 7.223 0.030 . 1 . . . . 64 PHE HD1 . 11376 1 697 . 1 1 64 64 PHE HD2 H 1 7.223 0.030 . 1 . . . . 64 PHE HD2 . 11376 1 698 . 1 1 64 64 PHE HE1 H 1 7.060 0.030 . 1 . . . . 64 PHE HE1 . 11376 1 699 . 1 1 64 64 PHE HE2 H 1 7.060 0.030 . 1 . . . . 64 PHE HE2 . 11376 1 700 . 1 1 64 64 PHE HZ H 1 7.372 0.030 . 1 . . . . 64 PHE HZ . 11376 1 701 . 1 1 64 64 PHE C C 13 175.760 0.300 . 1 . . . . 64 PHE C . 11376 1 702 . 1 1 64 64 PHE CA C 13 57.048 0.300 . 1 . . . . 64 PHE CA . 11376 1 703 . 1 1 64 64 PHE CB C 13 42.575 0.300 . 1 . . . . 64 PHE CB . 11376 1 704 . 1 1 64 64 PHE CD1 C 13 131.928 0.300 . 1 . . . . 64 PHE CD1 . 11376 1 705 . 1 1 64 64 PHE CD2 C 13 131.928 0.300 . 1 . . . . 64 PHE CD2 . 11376 1 706 . 1 1 64 64 PHE CE1 C 13 130.977 0.300 . 1 . . . . 64 PHE CE1 . 11376 1 707 . 1 1 64 64 PHE CE2 C 13 130.977 0.300 . 1 . . . . 64 PHE CE2 . 11376 1 708 . 1 1 64 64 PHE CZ C 13 129.125 0.300 . 1 . . . . 64 PHE CZ . 11376 1 709 . 1 1 64 64 PHE N N 15 121.974 0.300 . 1 . . . . 64 PHE N . 11376 1 710 . 1 1 65 65 PHE H H 1 7.742 0.030 . 1 . . . . 65 PHE H . 11376 1 711 . 1 1 65 65 PHE HA H 1 3.954 0.030 . 1 . . . . 65 PHE HA . 11376 1 712 . 1 1 65 65 PHE HB2 H 1 3.163 0.030 . 2 . . . . 65 PHE HB2 . 11376 1 713 . 1 1 65 65 PHE HB3 H 1 2.954 0.030 . 2 . . . . 65 PHE HB3 . 11376 1 714 . 1 1 65 65 PHE HD1 H 1 7.160 0.030 . 1 . . . . 65 PHE HD1 . 11376 1 715 . 1 1 65 65 PHE HD2 H 1 7.160 0.030 . 1 . . . . 65 PHE HD2 . 11376 1 716 . 1 1 65 65 PHE HE1 H 1 7.237 0.030 . 1 . . . . 65 PHE HE1 . 11376 1 717 . 1 1 65 65 PHE HE2 H 1 7.237 0.030 . 1 . . . . 65 PHE HE2 . 11376 1 718 . 1 1 65 65 PHE HZ H 1 7.324 0.030 . 1 . . . . 65 PHE HZ . 11376 1 719 . 1 1 65 65 PHE C C 13 175.877 0.300 . 1 . . . . 65 PHE C . 11376 1 720 . 1 1 65 65 PHE CA C 13 61.424 0.300 . 1 . . . . 65 PHE CA . 11376 1 721 . 1 1 65 65 PHE CB C 13 40.097 0.300 . 1 . . . . 65 PHE CB . 11376 1 722 . 1 1 65 65 PHE CD1 C 13 131.640 0.300 . 1 . . . . 65 PHE CD1 . 11376 1 723 . 1 1 65 65 PHE CD2 C 13 131.640 0.300 . 1 . . . . 65 PHE CD2 . 11376 1 724 . 1 1 65 65 PHE CE1 C 13 131.430 0.300 . 1 . . . . 65 PHE CE1 . 11376 1 725 . 1 1 65 65 PHE CE2 C 13 131.430 0.300 . 1 . . . . 65 PHE CE2 . 11376 1 726 . 1 1 65 65 PHE CZ C 13 129.808 0.300 . 1 . . . . 65 PHE CZ . 11376 1 727 . 1 1 65 65 PHE N N 15 117.919 0.300 . 1 . . . . 65 PHE N . 11376 1 728 . 1 1 66 66 ASN H H 1 8.660 0.030 . 1 . . . . 66 ASN H . 11376 1 729 . 1 1 66 66 ASN HA H 1 5.004 0.030 . 1 . . . . 66 ASN HA . 11376 1 730 . 1 1 66 66 ASN HB2 H 1 2.539 0.030 . 2 . . . . 66 ASN HB2 . 11376 1 731 . 1 1 66 66 ASN HB3 H 1 2.140 0.030 . 2 . . . . 66 ASN HB3 . 11376 1 732 . 1 1 66 66 ASN HD21 H 1 7.061 0.030 . 2 . . . . 66 ASN HD21 . 11376 1 733 . 1 1 66 66 ASN HD22 H 1 7.624 0.030 . 2 . . . . 66 ASN HD22 . 11376 1 734 . 1 1 66 66 ASN C C 13 174.797 0.300 . 1 . . . . 66 ASN C . 11376 1 735 . 1 1 66 66 ASN CA C 13 51.736 0.300 . 1 . . . . 66 ASN CA . 11376 1 736 . 1 1 66 66 ASN CB C 13 40.796 0.300 . 1 . . . . 66 ASN CB . 11376 1 737 . 1 1 66 66 ASN N N 15 114.192 0.300 . 1 . . . . 66 ASN N . 11376 1 738 . 1 1 66 66 ASN ND2 N 15 114.481 0.300 . 1 . . . . 66 ASN ND2 . 11376 1 739 . 1 1 67 67 LYS H H 1 8.177 0.030 . 1 . . . . 67 LYS H . 11376 1 740 . 1 1 67 67 LYS HA H 1 2.870 0.030 . 1 . . . . 67 LYS HA . 11376 1 741 . 1 1 67 67 LYS HB2 H 1 0.900 0.030 . 2 . . . . 67 LYS HB2 . 11376 1 742 . 1 1 67 67 LYS HB3 H 1 0.398 0.030 . 2 . . . . 67 LYS HB3 . 11376 1 743 . 1 1 67 67 LYS HD2 H 1 1.319 0.030 . 1 . . . . 67 LYS HD2 . 11376 1 744 . 1 1 67 67 LYS HD3 H 1 1.319 0.030 . 1 . . . . 67 LYS HD3 . 11376 1 745 . 1 1 67 67 LYS HE2 H 1 2.586 0.030 . 2 . . . . 67 LYS HE2 . 11376 1 746 . 1 1 67 67 LYS HE3 H 1 2.657 0.030 . 2 . . . . 67 LYS HE3 . 11376 1 747 . 1 1 67 67 LYS HG2 H 1 0.826 0.030 . 2 . . . . 67 LYS HG2 . 11376 1 748 . 1 1 67 67 LYS HG3 H 1 1.091 0.030 . 2 . . . . 67 LYS HG3 . 11376 1 749 . 1 1 67 67 LYS C C 13 177.129 0.300 . 1 . . . . 67 LYS C . 11376 1 750 . 1 1 67 67 LYS CA C 13 60.196 0.300 . 1 . . . . 67 LYS CA . 11376 1 751 . 1 1 67 67 LYS CB C 13 32.205 0.300 . 1 . . . . 67 LYS CB . 11376 1 752 . 1 1 67 67 LYS CD C 13 29.350 0.300 . 1 . . . . 67 LYS CD . 11376 1 753 . 1 1 67 67 LYS CE C 13 42.010 0.300 . 1 . . . . 67 LYS CE . 11376 1 754 . 1 1 67 67 LYS CG C 13 25.078 0.300 . 1 . . . . 67 LYS CG . 11376 1 755 . 1 1 67 67 LYS N N 15 126.632 0.300 . 1 . . . . 67 LYS N . 11376 1 756 . 1 1 68 68 TRP H H 1 7.591 0.030 . 1 . . . . 68 TRP H . 11376 1 757 . 1 1 68 68 TRP HA H 1 4.473 0.030 . 1 . . . . 68 TRP HA . 11376 1 758 . 1 1 68 68 TRP HB2 H 1 3.284 0.030 . 2 . . . . 68 TRP HB2 . 11376 1 759 . 1 1 68 68 TRP HB3 H 1 3.346 0.030 . 2 . . . . 68 TRP HB3 . 11376 1 760 . 1 1 68 68 TRP HD1 H 1 7.346 0.030 . 1 . . . . 68 TRP HD1 . 11376 1 761 . 1 1 68 68 TRP HE1 H 1 10.204 0.030 . 1 . . . . 68 TRP HE1 . 11376 1 762 . 1 1 68 68 TRP HE3 H 1 7.756 0.030 . 1 . . . . 68 TRP HE3 . 11376 1 763 . 1 1 68 68 TRP HH2 H 1 7.254 0.030 . 1 . . . . 68 TRP HH2 . 11376 1 764 . 1 1 68 68 TRP HZ2 H 1 7.497 0.030 . 1 . . . . 68 TRP HZ2 . 11376 1 765 . 1 1 68 68 TRP HZ3 H 1 7.228 0.030 . 1 . . . . 68 TRP HZ3 . 11376 1 766 . 1 1 68 68 TRP C C 13 177.882 0.300 . 1 . . . . 68 TRP C . 11376 1 767 . 1 1 68 68 TRP CA C 13 59.386 0.300 . 1 . . . . 68 TRP CA . 11376 1 768 . 1 1 68 68 TRP CB C 13 27.882 0.300 . 1 . . . . 68 TRP CB . 11376 1 769 . 1 1 68 68 TRP CD1 C 13 128.266 0.300 . 1 . . . . 68 TRP CD1 . 11376 1 770 . 1 1 68 68 TRP CE3 C 13 120.815 0.300 . 1 . . . . 68 TRP CE3 . 11376 1 771 . 1 1 68 68 TRP CH2 C 13 124.737 0.300 . 1 . . . . 68 TRP CH2 . 11376 1 772 . 1 1 68 68 TRP CZ2 C 13 114.693 0.300 . 1 . . . . 68 TRP CZ2 . 11376 1 773 . 1 1 68 68 TRP CZ3 C 13 122.418 0.300 . 1 . . . . 68 TRP CZ3 . 11376 1 774 . 1 1 68 68 TRP N N 15 116.640 0.300 . 1 . . . . 68 TRP N . 11376 1 775 . 1 1 68 68 TRP NE1 N 15 130.153 0.300 . 1 . . . . 68 TRP NE1 . 11376 1 776 . 1 1 69 69 ASP H H 1 6.919 0.030 . 1 . . . . 69 ASP H . 11376 1 777 . 1 1 69 69 ASP HA H 1 4.387 0.030 . 1 . . . . 69 ASP HA . 11376 1 778 . 1 1 69 69 ASP HB2 H 1 2.627 0.030 . 2 . . . . 69 ASP HB2 . 11376 1 779 . 1 1 69 69 ASP HB3 H 1 2.686 0.030 . 2 . . . . 69 ASP HB3 . 11376 1 780 . 1 1 69 69 ASP C C 13 176.492 0.300 . 1 . . . . 69 ASP C . 11376 1 781 . 1 1 69 69 ASP CA C 13 56.892 0.300 . 1 . . . . 69 ASP CA . 11376 1 782 . 1 1 69 69 ASP CB C 13 40.674 0.300 . 1 . . . . 69 ASP CB . 11376 1 783 . 1 1 69 69 ASP N N 15 121.269 0.300 . 1 . . . . 69 ASP N . 11376 1 784 . 1 1 70 70 ALA H H 1 6.618 0.030 . 1 . . . . 70 ALA H . 11376 1 785 . 1 1 70 70 ALA HA H 1 2.982 0.030 . 1 . . . . 70 ALA HA . 11376 1 786 . 1 1 70 70 ALA HB1 H 1 1.316 0.030 . 1 . . . . 70 ALA HB . 11376 1 787 . 1 1 70 70 ALA HB2 H 1 1.316 0.030 . 1 . . . . 70 ALA HB . 11376 1 788 . 1 1 70 70 ALA HB3 H 1 1.316 0.030 . 1 . . . . 70 ALA HB . 11376 1 789 . 1 1 70 70 ALA C C 13 177.961 0.300 . 1 . . . . 70 ALA C . 11376 1 790 . 1 1 70 70 ALA CA C 13 54.502 0.300 . 1 . . . . 70 ALA CA . 11376 1 791 . 1 1 70 70 ALA CB C 13 19.270 0.300 . 1 . . . . 70 ALA CB . 11376 1 792 . 1 1 70 70 ALA N N 15 119.710 0.300 . 1 . . . . 70 ALA N . 11376 1 793 . 1 1 71 71 GLU H H 1 8.324 0.030 . 1 . . . . 71 GLU H . 11376 1 794 . 1 1 71 71 GLU HA H 1 3.488 0.030 . 1 . . . . 71 GLU HA . 11376 1 795 . 1 1 71 71 GLU HB2 H 1 2.263 0.030 . 2 . . . . 71 GLU HB2 . 11376 1 796 . 1 1 71 71 GLU HB3 H 1 2.073 0.030 . 2 . . . . 71 GLU HB3 . 11376 1 797 . 1 1 71 71 GLU HG2 H 1 2.455 0.030 . 2 . . . . 71 GLU HG2 . 11376 1 798 . 1 1 71 71 GLU HG3 H 1 2.365 0.030 . 2 . . . . 71 GLU HG3 . 11376 1 799 . 1 1 71 71 GLU C C 13 178.966 0.300 . 1 . . . . 71 GLU C . 11376 1 800 . 1 1 71 71 GLU CA C 13 59.734 0.300 . 1 . . . . 71 GLU CA . 11376 1 801 . 1 1 71 71 GLU CB C 13 30.142 0.300 . 1 . . . . 71 GLU CB . 11376 1 802 . 1 1 71 71 GLU CG C 13 37.012 0.300 . 1 . . . . 71 GLU CG . 11376 1 803 . 1 1 71 71 GLU N N 15 117.148 0.300 . 1 . . . . 71 GLU N . 11376 1 804 . 1 1 72 72 ASN H H 1 7.942 0.030 . 1 . . . . 72 ASN H . 11376 1 805 . 1 1 72 72 ASN HA H 1 4.302 0.030 . 1 . . . . 72 ASN HA . 11376 1 806 . 1 1 72 72 ASN HB2 H 1 2.733 0.030 . 2 . . . . 72 ASN HB2 . 11376 1 807 . 1 1 72 72 ASN HB3 H 1 2.672 0.030 . 2 . . . . 72 ASN HB3 . 11376 1 808 . 1 1 72 72 ASN HD21 H 1 6.745 0.030 . 2 . . . . 72 ASN HD21 . 11376 1 809 . 1 1 72 72 ASN HD22 H 1 8.022 0.030 . 2 . . . . 72 ASN HD22 . 11376 1 810 . 1 1 72 72 ASN C C 13 176.298 0.300 . 1 . . . . 72 ASN C . 11376 1 811 . 1 1 72 72 ASN CA C 13 55.770 0.300 . 1 . . . . 72 ASN CA . 11376 1 812 . 1 1 72 72 ASN CB C 13 38.320 0.300 . 1 . . . . 72 ASN CB . 11376 1 813 . 1 1 72 72 ASN N N 15 117.921 0.300 . 1 . . . . 72 ASN N . 11376 1 814 . 1 1 72 72 ASN ND2 N 15 113.509 0.300 . 1 . . . . 72 ASN ND2 . 11376 1 815 . 1 1 73 73 ALA H H 1 7.894 0.030 . 1 . . . . 73 ALA H . 11376 1 816 . 1 1 73 73 ALA HA H 1 2.430 0.030 . 1 . . . . 73 ALA HA . 11376 1 817 . 1 1 73 73 ALA HB1 H 1 1.200 0.030 . 1 . . . . 73 ALA HB . 11376 1 818 . 1 1 73 73 ALA HB2 H 1 1.200 0.030 . 1 . . . . 73 ALA HB . 11376 1 819 . 1 1 73 73 ALA HB3 H 1 1.200 0.030 . 1 . . . . 73 ALA HB . 11376 1 820 . 1 1 73 73 ALA C C 13 179.391 0.300 . 1 . . . . 73 ALA C . 11376 1 821 . 1 1 73 73 ALA CA C 13 54.980 0.300 . 1 . . . . 73 ALA CA . 11376 1 822 . 1 1 73 73 ALA CB C 13 19.110 0.300 . 1 . . . . 73 ALA CB . 11376 1 823 . 1 1 73 73 ALA N N 15 121.657 0.300 . 1 . . . . 73 ALA N . 11376 1 824 . 1 1 74 74 ILE H H 1 8.100 0.030 . 1 . . . . 74 ILE H . 11376 1 825 . 1 1 74 74 ILE HA H 1 3.012 0.030 . 1 . . . . 74 ILE HA . 11376 1 826 . 1 1 74 74 ILE HB H 1 1.454 0.030 . 1 . . . . 74 ILE HB . 11376 1 827 . 1 1 74 74 ILE HD11 H 1 -0.659 0.030 . 1 . . . . 74 ILE HD1 . 11376 1 828 . 1 1 74 74 ILE HD12 H 1 -0.659 0.030 . 1 . . . . 74 ILE HD1 . 11376 1 829 . 1 1 74 74 ILE HD13 H 1 -0.659 0.030 . 1 . . . . 74 ILE HD1 . 11376 1 830 . 1 1 74 74 ILE HG12 H 1 1.410 0.030 . 2 . . . . 74 ILE HG12 . 11376 1 831 . 1 1 74 74 ILE HG13 H 1 0.176 0.030 . 2 . . . . 74 ILE HG13 . 11376 1 832 . 1 1 74 74 ILE HG21 H 1 0.559 0.030 . 1 . . . . 74 ILE HG2 . 11376 1 833 . 1 1 74 74 ILE HG22 H 1 0.559 0.030 . 1 . . . . 74 ILE HG2 . 11376 1 834 . 1 1 74 74 ILE HG23 H 1 0.559 0.030 . 1 . . . . 74 ILE HG2 . 11376 1 835 . 1 1 74 74 ILE C C 13 179.084 0.300 . 1 . . . . 74 ILE C . 11376 1 836 . 1 1 74 74 ILE CA C 13 66.483 0.300 . 1 . . . . 74 ILE CA . 11376 1 837 . 1 1 74 74 ILE CB C 13 38.333 0.300 . 1 . . . . 74 ILE CB . 11376 1 838 . 1 1 74 74 ILE CD1 C 13 11.194 0.300 . 1 . . . . 74 ILE CD1 . 11376 1 839 . 1 1 74 74 ILE CG1 C 13 32.023 0.300 . 1 . . . . 74 ILE CG1 . 11376 1 840 . 1 1 74 74 ILE CG2 C 13 16.858 0.300 . 1 . . . . 74 ILE CG2 . 11376 1 841 . 1 1 74 74 ILE N N 15 116.550 0.300 . 1 . . . . 74 ILE N . 11376 1 842 . 1 1 75 75 GLN H H 1 7.650 0.030 . 1 . . . . 75 GLN H . 11376 1 843 . 1 1 75 75 GLN HA H 1 3.924 0.030 . 1 . . . . 75 GLN HA . 11376 1 844 . 1 1 75 75 GLN HB2 H 1 2.148 0.030 . 2 . . . . 75 GLN HB2 . 11376 1 845 . 1 1 75 75 GLN HB3 H 1 2.116 0.030 . 2 . . . . 75 GLN HB3 . 11376 1 846 . 1 1 75 75 GLN HE21 H 1 6.883 0.030 . 2 . . . . 75 GLN HE21 . 11376 1 847 . 1 1 75 75 GLN HE22 H 1 7.648 0.030 . 2 . . . . 75 GLN HE22 . 11376 1 848 . 1 1 75 75 GLN HG2 H 1 2.419 0.030 . 2 . . . . 75 GLN HG2 . 11376 1 849 . 1 1 75 75 GLN HG3 H 1 2.454 0.030 . 2 . . . . 75 GLN HG3 . 11376 1 850 . 1 1 75 75 GLN C C 13 178.500 0.300 . 1 . . . . 75 GLN C . 11376 1 851 . 1 1 75 75 GLN CA C 13 58.465 0.300 . 1 . . . . 75 GLN CA . 11376 1 852 . 1 1 75 75 GLN CB C 13 28.778 0.300 . 1 . . . . 75 GLN CB . 11376 1 853 . 1 1 75 75 GLN CG C 13 33.546 0.300 . 1 . . . . 75 GLN CG . 11376 1 854 . 1 1 75 75 GLN N N 15 117.099 0.300 . 1 . . . . 75 GLN N . 11376 1 855 . 1 1 75 75 GLN NE2 N 15 112.983 0.300 . 1 . . . . 75 GLN NE2 . 11376 1 856 . 1 1 76 76 GLN H H 1 8.434 0.030 . 1 . . . . 76 GLN H . 11376 1 857 . 1 1 76 76 GLN HA H 1 4.125 0.030 . 1 . . . . 76 GLN HA . 11376 1 858 . 1 1 76 76 GLN HB2 H 1 2.021 0.030 . 2 . . . . 76 GLN HB2 . 11376 1 859 . 1 1 76 76 GLN HB3 H 1 1.502 0.030 . 2 . . . . 76 GLN HB3 . 11376 1 860 . 1 1 76 76 GLN HG2 H 1 2.460 0.030 . 2 . . . . 76 GLN HG2 . 11376 1 861 . 1 1 76 76 GLN HG3 H 1 2.429 0.030 . 2 . . . . 76 GLN HG3 . 11376 1 862 . 1 1 76 76 GLN C C 13 178.303 0.300 . 1 . . . . 76 GLN C . 11376 1 863 . 1 1 76 76 GLN CA C 13 57.516 0.300 . 1 . . . . 76 GLN CA . 11376 1 864 . 1 1 76 76 GLN CB C 13 29.193 0.300 . 1 . . . . 76 GLN CB . 11376 1 865 . 1 1 76 76 GLN CG C 13 34.034 0.300 . 1 . . . . 76 GLN CG . 11376 1 866 . 1 1 76 76 GLN N N 15 114.704 0.300 . 1 . . . . 76 GLN N . 11376 1 867 . 1 1 77 77 MET H H 1 7.704 0.030 . 1 . . . . 77 MET H . 11376 1 868 . 1 1 77 77 MET HA H 1 4.733 0.030 . 1 . . . . 77 MET HA . 11376 1 869 . 1 1 77 77 MET HB2 H 1 1.984 0.030 . 2 . . . . 77 MET HB2 . 11376 1 870 . 1 1 77 77 MET HB3 H 1 1.587 0.030 . 2 . . . . 77 MET HB3 . 11376 1 871 . 1 1 77 77 MET HE1 H 1 1.494 0.030 . 1 . . . . 77 MET HE . 11376 1 872 . 1 1 77 77 MET HE2 H 1 1.494 0.030 . 1 . . . . 77 MET HE . 11376 1 873 . 1 1 77 77 MET HE3 H 1 1.494 0.030 . 1 . . . . 77 MET HE . 11376 1 874 . 1 1 77 77 MET HG2 H 1 1.338 0.030 . 2 . . . . 77 MET HG2 . 11376 1 875 . 1 1 77 77 MET HG3 H 1 1.688 0.030 . 2 . . . . 77 MET HG3 . 11376 1 876 . 1 1 77 77 MET C C 13 177.439 0.300 . 1 . . . . 77 MET C . 11376 1 877 . 1 1 77 77 MET CA C 13 53.607 0.300 . 1 . . . . 77 MET CA . 11376 1 878 . 1 1 77 77 MET CB C 13 30.650 0.300 . 1 . . . . 77 MET CB . 11376 1 879 . 1 1 77 77 MET CE C 13 15.777 0.300 . 1 . . . . 77 MET CE . 11376 1 880 . 1 1 77 77 MET CG C 13 33.500 0.300 . 1 . . . . 77 MET CG . 11376 1 881 . 1 1 77 77 MET N N 15 113.099 0.300 . 1 . . . . 77 MET N . 11376 1 882 . 1 1 78 78 GLY H H 1 7.059 0.030 . 1 . . . . 78 GLY H . 11376 1 883 . 1 1 78 78 GLY HA2 H 1 3.691 0.030 . 2 . . . . 78 GLY HA2 . 11376 1 884 . 1 1 78 78 GLY HA3 H 1 3.845 0.030 . 2 . . . . 78 GLY HA3 . 11376 1 885 . 1 1 78 78 GLY C C 13 175.546 0.300 . 1 . . . . 78 GLY C . 11376 1 886 . 1 1 78 78 GLY CA C 13 48.950 0.300 . 1 . . . . 78 GLY CA . 11376 1 887 . 1 1 78 78 GLY N N 15 106.985 0.300 . 1 . . . . 78 GLY N . 11376 1 888 . 1 1 79 79 GLY H H 1 8.473 0.030 . 1 . . . . 79 GLY H . 11376 1 889 . 1 1 79 79 GLY HA2 H 1 4.192 0.030 . 2 . . . . 79 GLY HA2 . 11376 1 890 . 1 1 79 79 GLY HA3 H 1 3.626 0.030 . 2 . . . . 79 GLY HA3 . 11376 1 891 . 1 1 79 79 GLY C C 13 174.455 0.300 . 1 . . . . 79 GLY C . 11376 1 892 . 1 1 79 79 GLY CA C 13 45.757 0.300 . 1 . . . . 79 GLY CA . 11376 1 893 . 1 1 79 79 GLY N N 15 115.374 0.300 . 1 . . . . 79 GLY N . 11376 1 894 . 1 1 80 80 GLN H H 1 7.627 0.030 . 1 . . . . 80 GLN H . 11376 1 895 . 1 1 80 80 GLN HA H 1 4.324 0.030 . 1 . . . . 80 GLN HA . 11376 1 896 . 1 1 80 80 GLN HB2 H 1 2.188 0.030 . 2 . . . . 80 GLN HB2 . 11376 1 897 . 1 1 80 80 GLN HB3 H 1 1.975 0.030 . 2 . . . . 80 GLN HB3 . 11376 1 898 . 1 1 80 80 GLN HE21 H 1 6.991 0.030 . 2 . . . . 80 GLN HE21 . 11376 1 899 . 1 1 80 80 GLN HE22 H 1 7.563 0.030 . 2 . . . . 80 GLN HE22 . 11376 1 900 . 1 1 80 80 GLN HG2 H 1 2.292 0.030 . 2 . . . . 80 GLN HG2 . 11376 1 901 . 1 1 80 80 GLN HG3 H 1 2.786 0.030 . 2 . . . . 80 GLN HG3 . 11376 1 902 . 1 1 80 80 GLN C C 13 175.007 0.300 . 1 . . . . 80 GLN C . 11376 1 903 . 1 1 80 80 GLN CA C 13 55.290 0.300 . 1 . . . . 80 GLN CA . 11376 1 904 . 1 1 80 80 GLN CB C 13 28.709 0.300 . 1 . . . . 80 GLN CB . 11376 1 905 . 1 1 80 80 GLN CG C 13 34.604 0.300 . 1 . . . . 80 GLN CG . 11376 1 906 . 1 1 80 80 GLN N N 15 119.029 0.300 . 1 . . . . 80 GLN N . 11376 1 907 . 1 1 80 80 GLN NE2 N 15 114.727 0.300 . 1 . . . . 80 GLN NE2 . 11376 1 908 . 1 1 81 81 TRP H H 1 8.636 0.030 . 1 . . . . 81 TRP H . 11376 1 909 . 1 1 81 81 TRP HA H 1 4.505 0.030 . 1 . . . . 81 TRP HA . 11376 1 910 . 1 1 81 81 TRP HB2 H 1 3.095 0.030 . 2 . . . . 81 TRP HB2 . 11376 1 911 . 1 1 81 81 TRP HB3 H 1 3.031 0.030 . 2 . . . . 81 TRP HB3 . 11376 1 912 . 1 1 81 81 TRP HD1 H 1 7.353 0.030 . 1 . . . . 81 TRP HD1 . 11376 1 913 . 1 1 81 81 TRP HE1 H 1 10.154 0.030 . 1 . . . . 81 TRP HE1 . 11376 1 914 . 1 1 81 81 TRP HE3 H 1 7.209 0.030 . 1 . . . . 81 TRP HE3 . 11376 1 915 . 1 1 81 81 TRP HH2 H 1 7.193 0.030 . 1 . . . . 81 TRP HH2 . 11376 1 916 . 1 1 81 81 TRP HZ2 H 1 7.401 0.030 . 1 . . . . 81 TRP HZ2 . 11376 1 917 . 1 1 81 81 TRP HZ3 H 1 7.046 0.030 . 1 . . . . 81 TRP HZ3 . 11376 1 918 . 1 1 81 81 TRP C C 13 176.536 0.300 . 1 . . . . 81 TRP C . 11376 1 919 . 1 1 81 81 TRP CA C 13 57.641 0.300 . 1 . . . . 81 TRP CA . 11376 1 920 . 1 1 81 81 TRP CB C 13 29.074 0.300 . 1 . . . . 81 TRP CB . 11376 1 921 . 1 1 81 81 TRP CD1 C 13 127.213 0.300 . 1 . . . . 81 TRP CD1 . 11376 1 922 . 1 1 81 81 TRP CE3 C 13 119.726 0.300 . 1 . . . . 81 TRP CE3 . 11376 1 923 . 1 1 81 81 TRP CH2 C 13 124.584 0.300 . 1 . . . . 81 TRP CH2 . 11376 1 924 . 1 1 81 81 TRP CZ2 C 13 114.738 0.300 . 1 . . . . 81 TRP CZ2 . 11376 1 925 . 1 1 81 81 TRP CZ3 C 13 121.870 0.300 . 1 . . . . 81 TRP CZ3 . 11376 1 926 . 1 1 81 81 TRP N N 15 120.979 0.300 . 1 . . . . 81 TRP N . 11376 1 927 . 1 1 81 81 TRP NE1 N 15 129.536 0.300 . 1 . . . . 81 TRP NE1 . 11376 1 928 . 1 1 82 82 LEU H H 1 8.609 0.030 . 1 . . . . 82 LEU H . 11376 1 929 . 1 1 82 82 LEU HA H 1 4.688 0.030 . 1 . . . . 82 LEU HA . 11376 1 930 . 1 1 82 82 LEU HB2 H 1 1.707 0.030 . 2 . . . . 82 LEU HB2 . 11376 1 931 . 1 1 82 82 LEU HB3 H 1 1.387 0.030 . 2 . . . . 82 LEU HB3 . 11376 1 932 . 1 1 82 82 LEU HD11 H 1 0.864 0.030 . 1 . . . . 82 LEU HD1 . 11376 1 933 . 1 1 82 82 LEU HD12 H 1 0.864 0.030 . 1 . . . . 82 LEU HD1 . 11376 1 934 . 1 1 82 82 LEU HD13 H 1 0.864 0.030 . 1 . . . . 82 LEU HD1 . 11376 1 935 . 1 1 82 82 LEU HD21 H 1 0.795 0.030 . 1 . . . . 82 LEU HD2 . 11376 1 936 . 1 1 82 82 LEU HD22 H 1 0.795 0.030 . 1 . . . . 82 LEU HD2 . 11376 1 937 . 1 1 82 82 LEU HD23 H 1 0.795 0.030 . 1 . . . . 82 LEU HD2 . 11376 1 938 . 1 1 82 82 LEU HG H 1 1.508 0.030 . 1 . . . . 82 LEU HG . 11376 1 939 . 1 1 82 82 LEU C C 13 176.712 0.300 . 1 . . . . 82 LEU C . 11376 1 940 . 1 1 82 82 LEU CA C 13 54.813 0.300 . 1 . . . . 82 LEU CA . 11376 1 941 . 1 1 82 82 LEU CB C 13 44.114 0.300 . 1 . . . . 82 LEU CB . 11376 1 942 . 1 1 82 82 LEU CD1 C 13 24.456 0.300 . 2 . . . . 82 LEU CD1 . 11376 1 943 . 1 1 82 82 LEU CD2 C 13 25.283 0.300 . 2 . . . . 82 LEU CD2 . 11376 1 944 . 1 1 82 82 LEU CG C 13 27.549 0.300 . 1 . . . . 82 LEU CG . 11376 1 945 . 1 1 82 82 LEU N N 15 125.881 0.300 . 1 . . . . 82 LEU N . 11376 1 946 . 1 1 83 83 GLY H H 1 9.331 0.030 . 1 . . . . 83 GLY H . 11376 1 947 . 1 1 83 83 GLY HA2 H 1 3.858 0.030 . 1 . . . . 83 GLY HA2 . 11376 1 948 . 1 1 83 83 GLY HA3 H 1 3.858 0.030 . 1 . . . . 83 GLY HA3 . 11376 1 949 . 1 1 83 83 GLY C C 13 175.658 0.300 . 1 . . . . 83 GLY C . 11376 1 950 . 1 1 83 83 GLY CA C 13 47.245 0.300 . 1 . . . . 83 GLY CA . 11376 1 951 . 1 1 83 83 GLY N N 15 115.425 0.300 . 1 . . . . 83 GLY N . 11376 1 952 . 1 1 84 84 GLY H H 1 8.756 0.030 . 1 . . . . 84 GLY H . 11376 1 953 . 1 1 84 84 GLY HA2 H 1 4.156 0.030 . 2 . . . . 84 GLY HA2 . 11376 1 954 . 1 1 84 84 GLY HA3 H 1 4.020 0.030 . 2 . . . . 84 GLY HA3 . 11376 1 955 . 1 1 84 84 GLY C C 13 173.687 0.300 . 1 . . . . 84 GLY C . 11376 1 956 . 1 1 84 84 GLY CA C 13 45.832 0.300 . 1 . . . . 84 GLY CA . 11376 1 957 . 1 1 84 84 GLY N N 15 107.647 0.300 . 1 . . . . 84 GLY N . 11376 1 958 . 1 1 85 85 ARG H H 1 7.644 0.030 . 1 . . . . 85 ARG H . 11376 1 959 . 1 1 85 85 ARG HA H 1 4.703 0.030 . 1 . . . . 85 ARG HA . 11376 1 960 . 1 1 85 85 ARG HB2 H 1 1.951 0.030 . 2 . . . . 85 ARG HB2 . 11376 1 961 . 1 1 85 85 ARG HB3 H 1 1.788 0.030 . 2 . . . . 85 ARG HB3 . 11376 1 962 . 1 1 85 85 ARG HD2 H 1 3.023 0.030 . 2 . . . . 85 ARG HD2 . 11376 1 963 . 1 1 85 85 ARG HD3 H 1 3.080 0.030 . 2 . . . . 85 ARG HD3 . 11376 1 964 . 1 1 85 85 ARG HG2 H 1 1.622 0.030 . 2 . . . . 85 ARG HG2 . 11376 1 965 . 1 1 85 85 ARG HG3 H 1 1.723 0.030 . 2 . . . . 85 ARG HG3 . 11376 1 966 . 1 1 85 85 ARG C C 13 173.689 0.300 . 1 . . . . 85 ARG C . 11376 1 967 . 1 1 85 85 ARG CA C 13 55.058 0.300 . 1 . . . . 85 ARG CA . 11376 1 968 . 1 1 85 85 ARG CB C 13 34.148 0.300 . 1 . . . . 85 ARG CB . 11376 1 969 . 1 1 85 85 ARG CD C 13 43.365 0.300 . 1 . . . . 85 ARG CD . 11376 1 970 . 1 1 85 85 ARG CG C 13 26.852 0.300 . 1 . . . . 85 ARG CG . 11376 1 971 . 1 1 85 85 ARG N N 15 118.515 0.300 . 1 . . . . 85 ARG N . 11376 1 972 . 1 1 86 86 GLN H H 1 7.822 0.030 . 1 . . . . 86 GLN H . 11376 1 973 . 1 1 86 86 GLN HA H 1 3.956 0.030 . 1 . . . . 86 GLN HA . 11376 1 974 . 1 1 86 86 GLN HB2 H 1 1.184 0.030 . 2 . . . . 86 GLN HB2 . 11376 1 975 . 1 1 86 86 GLN HB3 H 1 0.958 0.030 . 2 . . . . 86 GLN HB3 . 11376 1 976 . 1 1 86 86 GLN HE21 H 1 6.763 0.030 . 2 . . . . 86 GLN HE21 . 11376 1 977 . 1 1 86 86 GLN HE22 H 1 7.451 0.030 . 2 . . . . 86 GLN HE22 . 11376 1 978 . 1 1 86 86 GLN HG2 H 1 0.801 0.030 . 2 . . . . 86 GLN HG2 . 11376 1 979 . 1 1 86 86 GLN HG3 H 1 0.351 0.030 . 2 . . . . 86 GLN HG3 . 11376 1 980 . 1 1 86 86 GLN C C 13 176.124 0.300 . 1 . . . . 86 GLN C . 11376 1 981 . 1 1 86 86 GLN CA C 13 55.105 0.300 . 1 . . . . 86 GLN CA . 11376 1 982 . 1 1 86 86 GLN CB C 13 29.736 0.300 . 1 . . . . 86 GLN CB . 11376 1 983 . 1 1 86 86 GLN CG C 13 33.348 0.300 . 1 . . . . 86 GLN CG . 11376 1 984 . 1 1 86 86 GLN N N 15 121.709 0.300 . 1 . . . . 86 GLN N . 11376 1 985 . 1 1 86 86 GLN NE2 N 15 112.313 0.300 . 1 . . . . 86 GLN NE2 . 11376 1 986 . 1 1 87 87 ILE H H 1 8.176 0.030 . 1 . . . . 87 ILE H . 11376 1 987 . 1 1 87 87 ILE HA H 1 4.650 0.030 . 1 . . . . 87 ILE HA . 11376 1 988 . 1 1 87 87 ILE HB H 1 2.059 0.030 . 1 . . . . 87 ILE HB . 11376 1 989 . 1 1 87 87 ILE HD11 H 1 0.754 0.030 . 1 . . . . 87 ILE HD1 . 11376 1 990 . 1 1 87 87 ILE HD12 H 1 0.754 0.030 . 1 . . . . 87 ILE HD1 . 11376 1 991 . 1 1 87 87 ILE HD13 H 1 0.754 0.030 . 1 . . . . 87 ILE HD1 . 11376 1 992 . 1 1 87 87 ILE HG12 H 1 1.370 0.030 . 1 . . . . 87 ILE HG12 . 11376 1 993 . 1 1 87 87 ILE HG13 H 1 1.370 0.030 . 1 . . . . 87 ILE HG13 . 11376 1 994 . 1 1 87 87 ILE HG21 H 1 0.908 0.030 . 1 . . . . 87 ILE HG2 . 11376 1 995 . 1 1 87 87 ILE HG22 H 1 0.908 0.030 . 1 . . . . 87 ILE HG2 . 11376 1 996 . 1 1 87 87 ILE HG23 H 1 0.908 0.030 . 1 . . . . 87 ILE HG2 . 11376 1 997 . 1 1 87 87 ILE C C 13 176.067 0.300 . 1 . . . . 87 ILE C . 11376 1 998 . 1 1 87 87 ILE CA C 13 61.069 0.300 . 1 . . . . 87 ILE CA . 11376 1 999 . 1 1 87 87 ILE CB C 13 39.996 0.300 . 1 . . . . 87 ILE CB . 11376 1 1000 . 1 1 87 87 ILE CD1 C 13 14.665 0.300 . 1 . . . . 87 ILE CD1 . 11376 1 1001 . 1 1 87 87 ILE CG1 C 13 24.907 0.300 . 1 . . . . 87 ILE CG1 . 11376 1 1002 . 1 1 87 87 ILE CG2 C 13 19.939 0.300 . 1 . . . . 87 ILE CG2 . 11376 1 1003 . 1 1 87 87 ILE N N 15 118.136 0.300 . 1 . . . . 87 ILE N . 11376 1 1004 . 1 1 88 88 ARG H H 1 7.937 0.030 . 1 . . . . 88 ARG H . 11376 1 1005 . 1 1 88 88 ARG HA H 1 4.956 0.030 . 1 . . . . 88 ARG HA . 11376 1 1006 . 1 1 88 88 ARG HB2 H 1 1.752 0.030 . 2 . . . . 88 ARG HB2 . 11376 1 1007 . 1 1 88 88 ARG HB3 H 1 1.603 0.030 . 2 . . . . 88 ARG HB3 . 11376 1 1008 . 1 1 88 88 ARG HD2 H 1 3.204 0.030 . 1 . . . . 88 ARG HD2 . 11376 1 1009 . 1 1 88 88 ARG HD3 H 1 3.204 0.030 . 1 . . . . 88 ARG HD3 . 11376 1 1010 . 1 1 88 88 ARG HG2 H 1 1.499 0.030 . 2 . . . . 88 ARG HG2 . 11376 1 1011 . 1 1 88 88 ARG HG3 H 1 1.577 0.030 . 2 . . . . 88 ARG HG3 . 11376 1 1012 . 1 1 88 88 ARG C C 13 175.180 0.300 . 1 . . . . 88 ARG C . 11376 1 1013 . 1 1 88 88 ARG CA C 13 53.876 0.300 . 1 . . . . 88 ARG CA . 11376 1 1014 . 1 1 88 88 ARG CB C 13 33.521 0.300 . 1 . . . . 88 ARG CB . 11376 1 1015 . 1 1 88 88 ARG CD C 13 43.509 0.300 . 1 . . . . 88 ARG CD . 11376 1 1016 . 1 1 88 88 ARG CG C 13 27.268 0.300 . 1 . . . . 88 ARG CG . 11376 1 1017 . 1 1 88 88 ARG N N 15 119.712 0.300 . 1 . . . . 88 ARG N . 11376 1 1018 . 1 1 89 89 THR H H 1 8.432 0.030 . 1 . . . . 89 THR H . 11376 1 1019 . 1 1 89 89 THR HA H 1 5.662 0.030 . 1 . . . . 89 THR HA . 11376 1 1020 . 1 1 89 89 THR HB H 1 3.934 0.030 . 1 . . . . 89 THR HB . 11376 1 1021 . 1 1 89 89 THR HG21 H 1 1.069 0.030 . 1 . . . . 89 THR HG2 . 11376 1 1022 . 1 1 89 89 THR HG22 H 1 1.069 0.030 . 1 . . . . 89 THR HG2 . 11376 1 1023 . 1 1 89 89 THR HG23 H 1 1.069 0.030 . 1 . . . . 89 THR HG2 . 11376 1 1024 . 1 1 89 89 THR C C 13 174.170 0.300 . 1 . . . . 89 THR C . 11376 1 1025 . 1 1 89 89 THR CA C 13 58.361 0.300 . 1 . . . . 89 THR CA . 11376 1 1026 . 1 1 89 89 THR CB C 13 71.376 0.300 . 1 . . . . 89 THR CB . 11376 1 1027 . 1 1 89 89 THR CG2 C 13 23.288 0.300 . 1 . . . . 89 THR CG2 . 11376 1 1028 . 1 1 89 89 THR N N 15 110.638 0.300 . 1 . . . . 89 THR N . 11376 1 1029 . 1 1 90 90 ASN H H 1 8.649 0.030 . 1 . . . . 90 ASN H . 11376 1 1030 . 1 1 90 90 ASN HA H 1 4.695 0.030 . 1 . . . . 90 ASN HA . 11376 1 1031 . 1 1 90 90 ASN HB2 H 1 2.973 0.030 . 2 . . . . 90 ASN HB2 . 11376 1 1032 . 1 1 90 90 ASN HB3 H 1 2.908 0.030 . 2 . . . . 90 ASN HB3 . 11376 1 1033 . 1 1 90 90 ASN C C 13 174.253 0.300 . 1 . . . . 90 ASN C . 11376 1 1034 . 1 1 90 90 ASN CA C 13 52.670 0.300 . 1 . . . . 90 ASN CA . 11376 1 1035 . 1 1 90 90 ASN CB C 13 42.113 0.300 . 1 . . . . 90 ASN CB . 11376 1 1036 . 1 1 90 90 ASN N N 15 114.907 0.300 . 1 . . . . 90 ASN N . 11376 1 1037 . 1 1 91 91 TRP H H 1 8.781 0.030 . 1 . . . . 91 TRP H . 11376 1 1038 . 1 1 91 91 TRP HA H 1 4.884 0.030 . 1 . . . . 91 TRP HA . 11376 1 1039 . 1 1 91 91 TRP HB2 H 1 3.065 0.030 . 2 . . . . 91 TRP HB2 . 11376 1 1040 . 1 1 91 91 TRP HB3 H 1 3.509 0.030 . 2 . . . . 91 TRP HB3 . 11376 1 1041 . 1 1 91 91 TRP HD1 H 1 7.412 0.030 . 1 . . . . 91 TRP HD1 . 11376 1 1042 . 1 1 91 91 TRP HE1 H 1 10.362 0.030 . 1 . . . . 91 TRP HE1 . 11376 1 1043 . 1 1 91 91 TRP HE3 H 1 8.084 0.030 . 1 . . . . 91 TRP HE3 . 11376 1 1044 . 1 1 91 91 TRP HH2 H 1 7.166 0.030 . 1 . . . . 91 TRP HH2 . 11376 1 1045 . 1 1 91 91 TRP HZ2 H 1 7.439 0.030 . 1 . . . . 91 TRP HZ2 . 11376 1 1046 . 1 1 91 91 TRP HZ3 H 1 7.059 0.030 . 1 . . . . 91 TRP HZ3 . 11376 1 1047 . 1 1 91 91 TRP C C 13 177.330 0.300 . 1 . . . . 91 TRP C . 11376 1 1048 . 1 1 91 91 TRP CA C 13 58.417 0.300 . 1 . . . . 91 TRP CA . 11376 1 1049 . 1 1 91 91 TRP CB C 13 30.350 0.300 . 1 . . . . 91 TRP CB . 11376 1 1050 . 1 1 91 91 TRP CD1 C 13 127.415 0.300 . 1 . . . . 91 TRP CD1 . 11376 1 1051 . 1 1 91 91 TRP CE3 C 13 121.685 0.300 . 1 . . . . 91 TRP CE3 . 11376 1 1052 . 1 1 91 91 TRP CH2 C 13 123.806 0.300 . 1 . . . . 91 TRP CH2 . 11376 1 1053 . 1 1 91 91 TRP CZ2 C 13 114.086 0.300 . 1 . . . . 91 TRP CZ2 . 11376 1 1054 . 1 1 91 91 TRP CZ3 C 13 121.331 0.300 . 1 . . . . 91 TRP CZ3 . 11376 1 1055 . 1 1 91 91 TRP N N 15 122.030 0.300 . 1 . . . . 91 TRP N . 11376 1 1056 . 1 1 91 91 TRP NE1 N 15 129.256 0.300 . 1 . . . . 91 TRP NE1 . 11376 1 1057 . 1 1 92 92 ALA H H 1 8.937 0.030 . 1 . . . . 92 ALA H . 11376 1 1058 . 1 1 92 92 ALA HA H 1 4.721 0.030 . 1 . . . . 92 ALA HA . 11376 1 1059 . 1 1 92 92 ALA HB1 H 1 1.605 0.030 . 1 . . . . 92 ALA HB . 11376 1 1060 . 1 1 92 92 ALA HB2 H 1 1.605 0.030 . 1 . . . . 92 ALA HB . 11376 1 1061 . 1 1 92 92 ALA HB3 H 1 1.605 0.030 . 1 . . . . 92 ALA HB . 11376 1 1062 . 1 1 92 92 ALA C C 13 177.525 0.300 . 1 . . . . 92 ALA C . 11376 1 1063 . 1 1 92 92 ALA CA C 13 52.379 0.300 . 1 . . . . 92 ALA CA . 11376 1 1064 . 1 1 92 92 ALA CB C 13 19.825 0.300 . 1 . . . . 92 ALA CB . 11376 1 1065 . 1 1 92 92 ALA N N 15 125.688 0.300 . 1 . . . . 92 ALA N . 11376 1 1066 . 1 1 93 93 THR HA H 1 4.335 0.030 . 1 . . . . 93 THR HA . 11376 1 1067 . 1 1 93 93 THR HB H 1 4.216 0.030 . 1 . . . . 93 THR HB . 11376 1 1068 . 1 1 93 93 THR HG21 H 1 1.207 0.030 . 1 . . . . 93 THR HG2 . 11376 1 1069 . 1 1 93 93 THR HG22 H 1 1.207 0.030 . 1 . . . . 93 THR HG2 . 11376 1 1070 . 1 1 93 93 THR HG23 H 1 1.207 0.030 . 1 . . . . 93 THR HG2 . 11376 1 1071 . 1 1 93 93 THR C C 13 174.204 0.300 . 1 . . . . 93 THR C . 11376 1 1072 . 1 1 93 93 THR CA C 13 62.115 0.300 . 1 . . . . 93 THR CA . 11376 1 1073 . 1 1 93 93 THR CB C 13 69.662 0.300 . 1 . . . . 93 THR CB . 11376 1 1074 . 1 1 93 93 THR CG2 C 13 21.938 0.300 . 1 . . . . 93 THR CG2 . 11376 1 1075 . 1 1 94 94 ARG H H 1 8.182 0.030 . 1 . . . . 94 ARG H . 11376 1 1076 . 1 1 94 94 ARG HA H 1 4.305 0.030 . 1 . . . . 94 ARG HA . 11376 1 1077 . 1 1 94 94 ARG HB2 H 1 1.613 0.030 . 2 . . . . 94 ARG HB2 . 11376 1 1078 . 1 1 94 94 ARG HB3 H 1 1.750 0.030 . 2 . . . . 94 ARG HB3 . 11376 1 1079 . 1 1 94 94 ARG HD2 H 1 2.994 0.030 . 1 . . . . 94 ARG HD2 . 11376 1 1080 . 1 1 94 94 ARG HD3 H 1 2.994 0.030 . 1 . . . . 94 ARG HD3 . 11376 1 1081 . 1 1 94 94 ARG HG2 H 1 1.439 0.030 . 1 . . . . 94 ARG HG2 . 11376 1 1082 . 1 1 94 94 ARG HG3 H 1 1.439 0.030 . 1 . . . . 94 ARG HG3 . 11376 1 1083 . 1 1 94 94 ARG C C 13 175.198 0.300 . 1 . . . . 94 ARG C . 11376 1 1084 . 1 1 94 94 ARG CA C 13 55.335 0.300 . 1 . . . . 94 ARG CA . 11376 1 1085 . 1 1 94 94 ARG CB C 13 31.207 0.300 . 1 . . . . 94 ARG CB . 11376 1 1086 . 1 1 94 94 ARG CD C 13 43.259 0.300 . 1 . . . . 94 ARG CD . 11376 1 1087 . 1 1 94 94 ARG CG C 13 26.641 0.300 . 1 . . . . 94 ARG CG . 11376 1 1088 . 1 1 94 94 ARG N N 15 122.332 0.300 . 1 . . . . 94 ARG N . 11376 1 1089 . 1 1 95 95 LYS H H 1 8.235 0.030 . 1 . . . . 95 LYS H . 11376 1 1090 . 1 1 95 95 LYS HA H 1 4.268 0.030 . 1 . . . . 95 LYS HA . 11376 1 1091 . 1 1 95 95 LYS HB2 H 1 1.577 0.030 . 2 . . . . 95 LYS HB2 . 11376 1 1092 . 1 1 95 95 LYS HB3 H 1 1.459 0.030 . 2 . . . . 95 LYS HB3 . 11376 1 1093 . 1 1 95 95 LYS HD2 H 1 1.479 0.030 . 1 . . . . 95 LYS HD2 . 11376 1 1094 . 1 1 95 95 LYS HD3 H 1 1.479 0.030 . 1 . . . . 95 LYS HD3 . 11376 1 1095 . 1 1 95 95 LYS HE2 H 1 2.851 0.030 . 1 . . . . 95 LYS HE2 . 11376 1 1096 . 1 1 95 95 LYS HE3 H 1 2.851 0.030 . 1 . . . . 95 LYS HE3 . 11376 1 1097 . 1 1 95 95 LYS HG2 H 1 1.216 0.030 . 1 . . . . 95 LYS HG2 . 11376 1 1098 . 1 1 95 95 LYS HG3 H 1 1.216 0.030 . 1 . . . . 95 LYS HG3 . 11376 1 1099 . 1 1 95 95 LYS C C 13 173.742 0.300 . 1 . . . . 95 LYS C . 11376 1 1100 . 1 1 95 95 LYS CA C 13 53.972 0.300 . 1 . . . . 95 LYS CA . 11376 1 1101 . 1 1 95 95 LYS CB C 13 32.359 0.300 . 1 . . . . 95 LYS CB . 11376 1 1102 . 1 1 95 95 LYS CD C 13 29.176 0.300 . 1 . . . . 95 LYS CD . 11376 1 1103 . 1 1 95 95 LYS CE C 13 42.036 0.300 . 1 . . . . 95 LYS CE . 11376 1 1104 . 1 1 95 95 LYS CG C 13 24.312 0.300 . 1 . . . . 95 LYS CG . 11376 1 1105 . 1 1 95 95 LYS N N 15 123.743 0.300 . 1 . . . . 95 LYS N . 11376 1 1106 . 1 1 96 96 PRO HA H 1 4.412 0.030 . 1 . . . . 96 PRO HA . 11376 1 1107 . 1 1 96 96 PRO HB2 H 1 2.110 0.030 . 2 . . . . 96 PRO HB2 . 11376 1 1108 . 1 1 96 96 PRO HB3 H 1 1.722 0.030 . 2 . . . . 96 PRO HB3 . 11376 1 1109 . 1 1 96 96 PRO HD2 H 1 3.249 0.030 . 2 . . . . 96 PRO HD2 . 11376 1 1110 . 1 1 96 96 PRO HD3 H 1 3.500 0.030 . 2 . . . . 96 PRO HD3 . 11376 1 1111 . 1 1 96 96 PRO HG2 H 1 1.782 0.030 . 2 . . . . 96 PRO HG2 . 11376 1 1112 . 1 1 96 96 PRO HG3 H 1 1.866 0.030 . 2 . . . . 96 PRO HG3 . 11376 1 1113 . 1 1 96 96 PRO CA C 13 61.292 0.300 . 1 . . . . 96 PRO CA . 11376 1 1114 . 1 1 96 96 PRO CB C 13 30.631 0.300 . 1 . . . . 96 PRO CB . 11376 1 1115 . 1 1 96 96 PRO CD C 13 50.307 0.300 . 1 . . . . 96 PRO CD . 11376 1 1116 . 1 1 96 96 PRO CG C 13 27.289 0.300 . 1 . . . . 96 PRO CG . 11376 1 1117 . 1 1 97 97 PRO HA H 1 4.323 0.030 . 1 . . . . 97 PRO HA . 11376 1 1118 . 1 1 97 97 PRO HB2 H 1 1.828 0.030 . 2 . . . . 97 PRO HB2 . 11376 1 1119 . 1 1 97 97 PRO HB3 H 1 2.202 0.030 . 2 . . . . 97 PRO HB3 . 11376 1 1120 . 1 1 97 97 PRO HD2 H 1 3.459 0.030 . 2 . . . . 97 PRO HD2 . 11376 1 1121 . 1 1 97 97 PRO HD3 H 1 3.639 0.030 . 2 . . . . 97 PRO HD3 . 11376 1 1122 . 1 1 97 97 PRO HG2 H 1 1.934 0.030 . 1 . . . . 97 PRO HG2 . 11376 1 1123 . 1 1 97 97 PRO HG3 H 1 1.934 0.030 . 1 . . . . 97 PRO HG3 . 11376 1 1124 . 1 1 97 97 PRO C C 13 176.065 0.300 . 1 . . . . 97 PRO C . 11376 1 1125 . 1 1 97 97 PRO CA C 13 62.586 0.300 . 1 . . . . 97 PRO CA . 11376 1 1126 . 1 1 97 97 PRO CB C 13 31.926 0.300 . 1 . . . . 97 PRO CB . 11376 1 1127 . 1 1 97 97 PRO CD C 13 50.338 0.300 . 1 . . . . 97 PRO CD . 11376 1 1128 . 1 1 97 97 PRO CG C 13 27.332 0.300 . 1 . . . . 97 PRO CG . 11376 1 1129 . 1 1 98 98 ALA H H 1 8.302 0.030 . 1 . . . . 98 ALA H . 11376 1 1130 . 1 1 98 98 ALA HA H 1 4.522 0.030 . 1 . . . . 98 ALA HA . 11376 1 1131 . 1 1 98 98 ALA HB1 H 1 1.318 0.030 . 1 . . . . 98 ALA HB . 11376 1 1132 . 1 1 98 98 ALA HB2 H 1 1.318 0.030 . 1 . . . . 98 ALA HB . 11376 1 1133 . 1 1 98 98 ALA HB3 H 1 1.318 0.030 . 1 . . . . 98 ALA HB . 11376 1 1134 . 1 1 98 98 ALA C C 13 175.510 0.300 . 1 . . . . 98 ALA C . 11376 1 1135 . 1 1 98 98 ALA CA C 13 50.338 0.300 . 1 . . . . 98 ALA CA . 11376 1 1136 . 1 1 98 98 ALA CB C 13 18.089 0.300 . 1 . . . . 98 ALA CB . 11376 1 1137 . 1 1 98 98 ALA N N 15 125.542 0.300 . 1 . . . . 98 ALA N . 11376 1 1138 . 1 1 99 99 PRO HA H 1 4.409 0.030 . 1 . . . . 99 PRO HA . 11376 1 1139 . 1 1 99 99 PRO HB2 H 1 2.286 0.030 . 2 . . . . 99 PRO HB2 . 11376 1 1140 . 1 1 99 99 PRO HB3 H 1 1.899 0.030 . 2 . . . . 99 PRO HB3 . 11376 1 1141 . 1 1 99 99 PRO HD2 H 1 3.612 0.030 . 2 . . . . 99 PRO HD2 . 11376 1 1142 . 1 1 99 99 PRO HD3 H 1 3.761 0.030 . 2 . . . . 99 PRO HD3 . 11376 1 1143 . 1 1 99 99 PRO HG2 H 1 2.002 0.030 . 1 . . . . 99 PRO HG2 . 11376 1 1144 . 1 1 99 99 PRO HG3 H 1 2.002 0.030 . 1 . . . . 99 PRO HG3 . 11376 1 1145 . 1 1 99 99 PRO C C 13 176.871 0.300 . 1 . . . . 99 PRO C . 11376 1 1146 . 1 1 99 99 PRO CA C 13 62.963 0.300 . 1 . . . . 99 PRO CA . 11376 1 1147 . 1 1 99 99 PRO CB C 13 32.175 0.300 . 1 . . . . 99 PRO CB . 11376 1 1148 . 1 1 99 99 PRO CD C 13 50.505 0.300 . 1 . . . . 99 PRO CD . 11376 1 1149 . 1 1 99 99 PRO CG C 13 27.435 0.300 . 1 . . . . 99 PRO CG . 11376 1 1150 . 1 1 100 100 LYS H H 1 8.416 0.030 . 1 . . . . 100 LYS H . 11376 1 1151 . 1 1 100 100 LYS HA H 1 4.268 0.030 . 1 . . . . 100 LYS HA . 11376 1 1152 . 1 1 100 100 LYS HB2 H 1 1.764 0.030 . 1 . . . . 100 LYS HB2 . 11376 1 1153 . 1 1 100 100 LYS HB3 H 1 1.764 0.030 . 1 . . . . 100 LYS HB3 . 11376 1 1154 . 1 1 100 100 LYS HD2 H 1 1.649 0.030 . 1 . . . . 100 LYS HD2 . 11376 1 1155 . 1 1 100 100 LYS HD3 H 1 1.649 0.030 . 1 . . . . 100 LYS HD3 . 11376 1 1156 . 1 1 100 100 LYS HE2 H 1 2.942 0.030 . 1 . . . . 100 LYS HE2 . 11376 1 1157 . 1 1 100 100 LYS HE3 H 1 2.942 0.030 . 1 . . . . 100 LYS HE3 . 11376 1 1158 . 1 1 100 100 LYS HG2 H 1 1.406 0.030 . 1 . . . . 100 LYS HG2 . 11376 1 1159 . 1 1 100 100 LYS HG3 H 1 1.406 0.030 . 1 . . . . 100 LYS HG3 . 11376 1 1160 . 1 1 100 100 LYS C C 13 176.668 0.300 . 1 . . . . 100 LYS C . 11376 1 1161 . 1 1 100 100 LYS CA C 13 56.393 0.300 . 1 . . . . 100 LYS CA . 11376 1 1162 . 1 1 100 100 LYS CB C 13 32.992 0.300 . 1 . . . . 100 LYS CB . 11376 1 1163 . 1 1 100 100 LYS CD C 13 29.184 0.300 . 1 . . . . 100 LYS CD . 11376 1 1164 . 1 1 100 100 LYS CE C 13 42.176 0.300 . 1 . . . . 100 LYS CE . 11376 1 1165 . 1 1 100 100 LYS CG C 13 24.770 0.300 . 1 . . . . 100 LYS CG . 11376 1 1166 . 1 1 100 100 LYS N N 15 121.643 0.300 . 1 . . . . 100 LYS N . 11376 1 1167 . 1 1 101 101 SER H H 1 8.359 0.030 . 1 . . . . 101 SER H . 11376 1 1168 . 1 1 101 101 SER HA H 1 4.444 0.030 . 1 . . . . 101 SER HA . 11376 1 1169 . 1 1 101 101 SER HB2 H 1 3.811 0.030 . 2 . . . . 101 SER HB2 . 11376 1 1170 . 1 1 101 101 SER C C 13 174.661 0.300 . 1 . . . . 101 SER C . 11376 1 1171 . 1 1 101 101 SER CA C 13 58.222 0.300 . 1 . . . . 101 SER CA . 11376 1 1172 . 1 1 101 101 SER CB C 13 63.803 0.300 . 1 . . . . 101 SER CB . 11376 1 1173 . 1 1 101 101 SER N N 15 117.008 0.300 . 1 . . . . 101 SER N . 11376 1 1174 . 1 1 102 102 THR H H 1 8.137 0.030 . 1 . . . . 102 THR H . 11376 1 1175 . 1 1 102 102 THR HA H 1 4.260 0.030 . 1 . . . . 102 THR HA . 11376 1 1176 . 1 1 102 102 THR HB H 1 4.175 0.030 . 1 . . . . 102 THR HB . 11376 1 1177 . 1 1 102 102 THR HG21 H 1 1.124 0.030 . 1 . . . . 102 THR HG2 . 11376 1 1178 . 1 1 102 102 THR HG22 H 1 1.124 0.030 . 1 . . . . 102 THR HG2 . 11376 1 1179 . 1 1 102 102 THR HG23 H 1 1.124 0.030 . 1 . . . . 102 THR HG2 . 11376 1 1180 . 1 1 102 102 THR C C 13 174.222 0.300 . 1 . . . . 102 THR C . 11376 1 1181 . 1 1 102 102 THR CA C 13 61.965 0.300 . 1 . . . . 102 THR CA . 11376 1 1182 . 1 1 102 102 THR CB C 13 69.627 0.300 . 1 . . . . 102 THR CB . 11376 1 1183 . 1 1 102 102 THR CG2 C 13 21.584 0.300 . 1 . . . . 102 THR CG2 . 11376 1 1184 . 1 1 102 102 THR N N 15 115.639 0.300 . 1 . . . . 102 THR N . 11376 1 1185 . 1 1 103 103 TYR H H 1 8.138 0.030 . 1 . . . . 103 TYR H . 11376 1 1186 . 1 1 103 103 TYR HA H 1 4.553 0.030 . 1 . . . . 103 TYR HA . 11376 1 1187 . 1 1 103 103 TYR HB2 H 1 2.936 0.030 . 2 . . . . 103 TYR HB2 . 11376 1 1188 . 1 1 103 103 TYR HB3 H 1 3.039 0.030 . 2 . . . . 103 TYR HB3 . 11376 1 1189 . 1 1 103 103 TYR HD1 H 1 7.094 0.030 . 1 . . . . 103 TYR HD1 . 11376 1 1190 . 1 1 103 103 TYR HD2 H 1 7.094 0.030 . 1 . . . . 103 TYR HD2 . 11376 1 1191 . 1 1 103 103 TYR HE1 H 1 6.800 0.030 . 1 . . . . 103 TYR HE1 . 11376 1 1192 . 1 1 103 103 TYR HE2 H 1 6.800 0.030 . 1 . . . . 103 TYR HE2 . 11376 1 1193 . 1 1 103 103 TYR C C 13 175.715 0.300 . 1 . . . . 103 TYR C . 11376 1 1194 . 1 1 103 103 TYR CA C 13 58.098 0.300 . 1 . . . . 103 TYR CA . 11376 1 1195 . 1 1 103 103 TYR CB C 13 38.759 0.300 . 1 . . . . 103 TYR CB . 11376 1 1196 . 1 1 103 103 TYR CD1 C 13 133.200 0.300 . 1 . . . . 103 TYR CD1 . 11376 1 1197 . 1 1 103 103 TYR CD2 C 13 133.200 0.300 . 1 . . . . 103 TYR CD2 . 11376 1 1198 . 1 1 103 103 TYR CE1 C 13 118.210 0.300 . 1 . . . . 103 TYR CE1 . 11376 1 1199 . 1 1 103 103 TYR CE2 C 13 118.210 0.300 . 1 . . . . 103 TYR CE2 . 11376 1 1200 . 1 1 103 103 TYR N N 15 121.861 0.300 . 1 . . . . 103 TYR N . 11376 1 1201 . 1 1 104 104 GLU H H 1 8.229 0.030 . 1 . . . . 104 GLU H . 11376 1 1202 . 1 1 104 104 GLU HA H 1 4.269 0.030 . 1 . . . . 104 GLU HA . 11376 1 1203 . 1 1 104 104 GLU HB2 H 1 2.010 0.030 . 2 . . . . 104 GLU HB2 . 11376 1 1204 . 1 1 104 104 GLU HB3 H 1 1.895 0.030 . 2 . . . . 104 GLU HB3 . 11376 1 1205 . 1 1 104 104 GLU HG2 H 1 2.210 0.030 . 1 . . . . 104 GLU HG2 . 11376 1 1206 . 1 1 104 104 GLU HG3 H 1 2.210 0.030 . 1 . . . . 104 GLU HG3 . 11376 1 1207 . 1 1 104 104 GLU C C 13 176.156 0.300 . 1 . . . . 104 GLU C . 11376 1 1208 . 1 1 104 104 GLU CA C 13 56.434 0.300 . 1 . . . . 104 GLU CA . 11376 1 1209 . 1 1 104 104 GLU CB C 13 30.514 0.300 . 1 . . . . 104 GLU CB . 11376 1 1210 . 1 1 104 104 GLU CG C 13 36.315 0.300 . 1 . . . . 104 GLU CG . 11376 1 1211 . 1 1 104 104 GLU N N 15 122.657 0.300 . 1 . . . . 104 GLU N . 11376 1 1212 . 1 1 105 105 SER H H 1 8.273 0.030 . 1 . . . . 105 SER H . 11376 1 1213 . 1 1 105 105 SER C C 13 174.441 0.300 . 1 . . . . 105 SER C . 11376 1 1214 . 1 1 105 105 SER CA C 13 58.500 0.300 . 1 . . . . 105 SER CA . 11376 1 1215 . 1 1 105 105 SER CB C 13 63.834 0.300 . 1 . . . . 105 SER CB . 11376 1 1216 . 1 1 105 105 SER N N 15 116.774 0.300 . 1 . . . . 105 SER N . 11376 1 1217 . 1 1 106 106 ASN HA H 1 4.730 0.030 . 1 . . . . 106 ASN HA . 11376 1 1218 . 1 1 106 106 ASN HB2 H 1 2.799 0.030 . 2 . . . . 106 ASN HB2 . 11376 1 1219 . 1 1 106 106 ASN HB3 H 1 2.863 0.030 . 2 . . . . 106 ASN HB3 . 11376 1 1220 . 1 1 106 106 ASN C C 13 175.466 0.300 . 1 . . . . 106 ASN C . 11376 1 1221 . 1 1 106 106 ASN CA C 13 53.379 0.300 . 1 . . . . 106 ASN CA . 11376 1 1222 . 1 1 106 106 ASN CB C 13 38.810 0.300 . 1 . . . . 106 ASN CB . 11376 1 1223 . 1 1 107 107 THR H H 1 8.087 0.030 . 1 . . . . 107 THR H . 11376 1 1224 . 1 1 107 107 THR HA H 1 4.285 0.030 . 1 . . . . 107 THR HA . 11376 1 1225 . 1 1 107 107 THR HB H 1 4.220 0.030 . 1 . . . . 107 THR HB . 11376 1 1226 . 1 1 107 107 THR HG21 H 1 1.179 0.030 . 1 . . . . 107 THR HG2 . 11376 1 1227 . 1 1 107 107 THR HG22 H 1 1.179 0.030 . 1 . . . . 107 THR HG2 . 11376 1 1228 . 1 1 107 107 THR HG23 H 1 1.179 0.030 . 1 . . . . 107 THR HG2 . 11376 1 1229 . 1 1 107 107 THR C C 13 174.570 0.300 . 1 . . . . 107 THR C . 11376 1 1230 . 1 1 107 107 THR CA C 13 62.006 0.300 . 1 . . . . 107 THR CA . 11376 1 1231 . 1 1 107 107 THR CB C 13 69.766 0.300 . 1 . . . . 107 THR CB . 11376 1 1232 . 1 1 107 107 THR CG2 C 13 21.605 0.300 . 1 . . . . 107 THR CG2 . 11376 1 1233 . 1 1 107 107 THR N N 15 114.197 0.300 . 1 . . . . 107 THR N . 11376 1 1234 . 1 1 108 108 LYS H H 1 8.284 0.030 . 1 . . . . 108 LYS H . 11376 1 1235 . 1 1 108 108 LYS HA H 1 4.276 0.030 . 1 . . . . 108 LYS HA . 11376 1 1236 . 1 1 108 108 LYS HB2 H 1 1.755 0.030 . 1 . . . . 108 LYS HB2 . 11376 1 1237 . 1 1 108 108 LYS HB3 H 1 1.755 0.030 . 1 . . . . 108 LYS HB3 . 11376 1 1238 . 1 1 108 108 LYS HD2 H 1 1.641 0.030 . 1 . . . . 108 LYS HD2 . 11376 1 1239 . 1 1 108 108 LYS HD3 H 1 1.641 0.030 . 1 . . . . 108 LYS HD3 . 11376 1 1240 . 1 1 108 108 LYS HE2 H 1 2.950 0.030 . 1 . . . . 108 LYS HE2 . 11376 1 1241 . 1 1 108 108 LYS HE3 H 1 2.950 0.030 . 1 . . . . 108 LYS HE3 . 11376 1 1242 . 1 1 108 108 LYS HG2 H 1 1.372 0.030 . 1 . . . . 108 LYS HG2 . 11376 1 1243 . 1 1 108 108 LYS HG3 H 1 1.372 0.030 . 1 . . . . 108 LYS HG3 . 11376 1 1244 . 1 1 108 108 LYS C C 13 176.450 0.300 . 1 . . . . 108 LYS C . 11376 1 1245 . 1 1 108 108 LYS CA C 13 56.393 0.300 . 1 . . . . 108 LYS CA . 11376 1 1246 . 1 1 108 108 LYS CB C 13 34.979 0.300 . 1 . . . . 108 LYS CB . 11376 1 1247 . 1 1 108 108 LYS CD C 13 29.017 0.300 . 1 . . . . 108 LYS CD . 11376 1 1248 . 1 1 108 108 LYS CE C 13 42.259 0.300 . 1 . . . . 108 LYS CE . 11376 1 1249 . 1 1 108 108 LYS CG C 13 24.770 0.300 . 1 . . . . 108 LYS CG . 11376 1 1250 . 1 1 108 108 LYS N N 15 123.614 0.300 . 1 . . . . 108 LYS N . 11376 1 1251 . 1 1 109 109 GLN H H 1 8.372 0.030 . 1 . . . . 109 GLN H . 11376 1 1252 . 1 1 109 109 GLN HA H 1 4.368 0.030 . 1 . . . . 109 GLN HA . 11376 1 1253 . 1 1 109 109 GLN HB2 H 1 2.120 0.030 . 2 . . . . 109 GLN HB2 . 11376 1 1254 . 1 1 109 109 GLN HB3 H 1 1.979 0.030 . 2 . . . . 109 GLN HB3 . 11376 1 1255 . 1 1 109 109 GLN HG2 H 1 2.354 0.030 . 1 . . . . 109 GLN HG2 . 11376 1 1256 . 1 1 109 109 GLN HG3 H 1 2.354 0.030 . 1 . . . . 109 GLN HG3 . 11376 1 1257 . 1 1 109 109 GLN C C 13 175.875 0.300 . 1 . . . . 109 GLN C . 11376 1 1258 . 1 1 109 109 GLN CA C 13 55.838 0.300 . 1 . . . . 109 GLN CA . 11376 1 1259 . 1 1 109 109 GLN CB C 13 29.475 0.300 . 1 . . . . 109 GLN CB . 11376 1 1260 . 1 1 109 109 GLN CG C 13 33.848 0.300 . 1 . . . . 109 GLN CG . 11376 1 1261 . 1 1 109 109 GLN N N 15 121.835 0.300 . 1 . . . . 109 GLN N . 11376 1 1262 . 1 1 110 110 SER H H 1 8.364 0.030 . 1 . . . . 110 SER H . 11376 1 1263 . 1 1 110 110 SER HA H 1 4.462 0.030 . 1 . . . . 110 SER HA . 11376 1 1264 . 1 1 110 110 SER HB2 H 1 3.828 0.030 . 2 . . . . 110 SER HB2 . 11376 1 1265 . 1 1 110 110 SER C C 13 174.434 0.300 . 1 . . . . 110 SER C . 11376 1 1266 . 1 1 110 110 SER CA C 13 58.417 0.300 . 1 . . . . 110 SER CA . 11376 1 1267 . 1 1 110 110 SER CB C 13 64.081 0.300 . 1 . . . . 110 SER CB . 11376 1 1268 . 1 1 110 110 SER N N 15 117.428 0.300 . 1 . . . . 110 SER N . 11376 1 1269 . 1 1 111 111 GLY H H 1 8.250 0.030 . 1 . . . . 111 GLY H . 11376 1 1270 . 1 1 111 111 GLY HA2 H 1 4.145 0.030 . 2 . . . . 111 GLY HA2 . 11376 1 1271 . 1 1 111 111 GLY HA3 H 1 4.098 0.030 . 2 . . . . 111 GLY HA3 . 11376 1 1272 . 1 1 111 111 GLY CA C 13 44.639 0.300 . 1 . . . . 111 GLY CA . 11376 1 1273 . 1 1 111 111 GLY N N 15 110.736 0.300 . 1 . . . . 111 GLY N . 11376 1 1274 . 1 1 112 112 PRO HA H 1 4.468 0.030 . 1 . . . . 112 PRO HA . 11376 1 1275 . 1 1 112 112 PRO HB2 H 1 2.229 0.030 . 2 . . . . 112 PRO HB2 . 11376 1 1276 . 1 1 112 112 PRO HB3 H 1 1.924 0.030 . 2 . . . . 112 PRO HB3 . 11376 1 1277 . 1 1 112 112 PRO HD2 H 1 3.596 0.030 . 2 . . . . 112 PRO HD2 . 11376 1 1278 . 1 1 112 112 PRO HD3 H 1 3.625 0.030 . 2 . . . . 112 PRO HD3 . 11376 1 1279 . 1 1 112 112 PRO HG2 H 1 1.976 0.030 . 1 . . . . 112 PRO HG2 . 11376 1 1280 . 1 1 112 112 PRO HG3 H 1 1.976 0.030 . 1 . . . . 112 PRO HG3 . 11376 1 1281 . 1 1 112 112 PRO C C 13 177.320 0.300 . 1 . . . . 112 PRO C . 11376 1 1282 . 1 1 112 112 PRO CA C 13 63.295 0.300 . 1 . . . . 112 PRO CA . 11376 1 1283 . 1 1 112 112 PRO CB C 13 32.168 0.300 . 1 . . . . 112 PRO CB . 11376 1 1284 . 1 1 112 112 PRO CD C 13 49.793 0.300 . 1 . . . . 112 PRO CD . 11376 1 1285 . 1 1 112 112 PRO CG C 13 27.130 0.300 . 1 . . . . 112 PRO CG . 11376 1 1286 . 1 1 113 113 SER H H 1 8.497 0.030 . 1 . . . . 113 SER H . 11376 1 1287 . 1 1 113 113 SER HA H 1 4.453 0.030 . 1 . . . . 113 SER HA . 11376 1 1288 . 1 1 113 113 SER HB2 H 1 3.853 0.030 . 2 . . . . 113 SER HB2 . 11376 1 1289 . 1 1 113 113 SER C C 13 174.552 0.300 . 1 . . . . 113 SER C . 11376 1 1290 . 1 1 113 113 SER CA C 13 58.500 0.300 . 1 . . . . 113 SER CA . 11376 1 1291 . 1 1 113 113 SER CB C 13 63.916 0.300 . 1 . . . . 113 SER CB . 11376 1 1292 . 1 1 113 113 SER N N 15 116.386 0.300 . 1 . . . . 113 SER N . 11376 1 1293 . 1 1 114 114 SER H H 1 8.293 0.030 . 1 . . . . 114 SER H . 11376 1 1294 . 1 1 114 114 SER HA H 1 4.454 0.030 . 1 . . . . 114 SER HA . 11376 1 1295 . 1 1 114 114 SER HB2 H 1 3.845 0.030 . 2 . . . . 114 SER HB2 . 11376 1 1296 . 1 1 114 114 SER C C 13 173.893 0.300 . 1 . . . . 114 SER C . 11376 1 1297 . 1 1 114 114 SER CA C 13 58.209 0.300 . 1 . . . . 114 SER CA . 11376 1 1298 . 1 1 114 114 SER CB C 13 63.983 0.300 . 1 . . . . 114 SER CB . 11376 1 1299 . 1 1 114 114 SER N N 15 117.775 0.300 . 1 . . . . 114 SER N . 11376 1 1300 . 1 1 115 115 GLY H H 1 8.033 0.030 . 1 . . . . 115 GLY H . 11376 1 1301 . 1 1 115 115 GLY HA2 H 1 3.743 0.030 . 2 . . . . 115 GLY HA2 . 11376 1 1302 . 1 1 115 115 GLY HA3 H 1 3.791 0.030 . 2 . . . . 115 GLY HA3 . 11376 1 1303 . 1 1 115 115 GLY C C 13 179.027 0.300 . 1 . . . . 115 GLY C . 11376 1 1304 . 1 1 115 115 GLY CA C 13 46.239 0.300 . 1 . . . . 115 GLY CA . 11376 1 1305 . 1 1 115 115 GLY N N 15 116.818 0.300 . 1 . . . . 115 GLY N . 11376 1 stop_ save_