data_10092 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10092 _Entry.Title ; Solution structure of the DEATH domain of Interleukin-1 receptor-associated kinase4 (IRAK4) from Mus musculus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-24 _Entry.Accession_date 2007-01-24 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 N. Nameki . . . 10092 2 T. Tomizawa . . . 10092 3 S. Koshiba . . . 10092 4 T. Kigawa . . . 10092 5 S. Yokoyama . . . 10092 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10092 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10092 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 531 10092 '15N chemical shifts' 112 10092 '1H chemical shifts' 857 10092 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 . . 2008-08-14 2007-01-24 original author . 10092 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WH4 'BMRB Entry Tracking System' 10092 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10092 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the DEATH domain of Interleukin-1 receptor-associated kinase4 (IRAK4) from Mus musculus ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Nameki . . . 10092 1 2 T. Tomizawa . . . 10092 1 3 S. Koshiba . . . 10092 1 4 T. Kigawa . . . 10092 1 5 S. Yokoyama . . . 10092 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10092 _Assembly.ID 1 _Assembly.Name 'interleukin-1 receptor-associated kinase 4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10092 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'interleukin-1 receptor-associated kinase 4' 1 $entity_1 . . yes native no no . . . 10092 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WH4 . . . . . . 10092 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10092 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DEATH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMNKPLTPSTYIRN LNVGILRKLSDFIDPQEGWK KLAVAIKKPSGDDRYNQFHI RRFEALLQTGKSPTCELLFD WGTTNCTVGDLVDLLVQIEL FAPATLLLPDAVPQTVKSLP PSGPSSG ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WH4 . "Solution Structure Of The Death Domain Of Interleukin-1 Receptor-Associated Kinase4 (Irak4) From Mus Musculus" . . . . . 100.00 127 100.00 100.00 6.92e-86 . . . . 10092 1 2 no PDB 2A9I . "Molecular Structure Of The Interleukin-1 Receptor- Associated Kinase-4 Death Domain" . . . . . 88.98 113 99.12 99.12 7.84e-75 . . . . 10092 1 3 no DBJ BAB32090 . "unnamed protein product [Mus musculus]" . . . . . 89.76 197 100.00 100.00 3.24e-77 . . . . 10092 1 4 no DBJ BAC26146 . "unnamed protein product [Mus musculus]" . . . . . 89.76 459 100.00 100.00 6.10e-75 . . . . 10092 1 5 no DBJ BAE24205 . "unnamed protein product [Mus musculus]" . . . . . 89.76 453 100.00 100.00 7.73e-75 . . . . 10092 1 6 no GB AAH51676 . "Interleukin-1 receptor-associated kinase 4 [Mus musculus]" . . . . . 89.76 459 100.00 100.00 6.51e-75 . . . . 10092 1 7 no GB AAM15773 . "interleukin-1 receptor associated kinase 4 [Mus musculus]" . . . . . 89.76 459 100.00 100.00 6.10e-75 . . . . 10092 1 8 no GB ABK42447 . "IRAK4 [synthetic construct]" . . . . . 89.76 459 100.00 100.00 6.10e-75 . . . . 10092 1 9 no GB EDL04264 . "interleukin-1 receptor-associated kinase 4, isoform CRA_a [Mus musculus]" . . . . . 89.76 459 99.12 100.00 1.04e-74 . . . . 10092 1 10 no GB EDL04265 . "interleukin-1 receptor-associated kinase 4, isoform CRA_b [Mus musculus]" . . . . . 89.76 239 99.12 100.00 2.02e-76 . . . . 10092 1 11 no REF NP_084202 . "interleukin-1 receptor-associated kinase 4 [Mus musculus]" . . . . . 89.76 459 100.00 100.00 6.10e-75 . . . . 10092 1 12 no REF XP_011243947 . "PREDICTED: interleukin-1 receptor-associated kinase 4 isoform X1 [Mus musculus]" . . . . . 89.76 254 100.00 100.00 1.02e-75 . . . . 10092 1 13 no SP Q8R4K2 . "RecName: Full=Interleukin-1 receptor-associated kinase 4; Short=IRAK-4" . . . . . 89.76 459 100.00 100.00 6.10e-75 . . . . 10092 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DEATH domain' . 10092 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 . 10092 1 2 . SER . 10092 1 3 . SER . 10092 1 4 . GLY . 10092 1 5 . SER . 10092 1 6 . SER . 10092 1 7 . GLY . 10092 1 8 . MET . 10092 1 9 . ASN . 10092 1 10 . LYS . 10092 1 11 . PRO . 10092 1 12 . LEU . 10092 1 13 . THR . 10092 1 14 . PRO . 10092 1 15 . SER . 10092 1 16 . THR . 10092 1 17 . TYR . 10092 1 18 . ILE . 10092 1 19 . ARG . 10092 1 20 . ASN . 10092 1 21 . LEU . 10092 1 22 . ASN . 10092 1 23 . VAL . 10092 1 24 . GLY . 10092 1 25 . ILE . 10092 1 26 . LEU . 10092 1 27 . ARG . 10092 1 28 . LYS . 10092 1 29 . LEU . 10092 1 30 . SER . 10092 1 31 . ASP . 10092 1 32 . PHE . 10092 1 33 . ILE . 10092 1 34 . ASP . 10092 1 35 . PRO . 10092 1 36 . GLN . 10092 1 37 . GLU . 10092 1 38 . GLY . 10092 1 39 . TRP . 10092 1 40 . LYS . 10092 1 41 . LYS . 10092 1 42 . LEU . 10092 1 43 . ALA . 10092 1 44 . VAL . 10092 1 45 . ALA . 10092 1 46 . ILE . 10092 1 47 . LYS . 10092 1 48 . LYS . 10092 1 49 . PRO . 10092 1 50 . SER . 10092 1 51 . GLY . 10092 1 52 . ASP . 10092 1 53 . ASP . 10092 1 54 . ARG . 10092 1 55 . TYR . 10092 1 56 . ASN . 10092 1 57 . GLN . 10092 1 58 . PHE . 10092 1 59 . HIS . 10092 1 60 . ILE . 10092 1 61 . ARG . 10092 1 62 . ARG . 10092 1 63 . PHE . 10092 1 64 . GLU . 10092 1 65 . ALA . 10092 1 66 . LEU . 10092 1 67 . LEU . 10092 1 68 . GLN . 10092 1 69 . THR . 10092 1 70 . GLY . 10092 1 71 . LYS . 10092 1 72 . SER . 10092 1 73 . PRO . 10092 1 74 . THR . 10092 1 75 . CYS . 10092 1 76 . GLU . 10092 1 77 . LEU . 10092 1 78 . LEU . 10092 1 79 . PHE . 10092 1 80 . ASP . 10092 1 81 . TRP . 10092 1 82 . GLY . 10092 1 83 . THR . 10092 1 84 . THR . 10092 1 85 . ASN . 10092 1 86 . CYS . 10092 1 87 . THR . 10092 1 88 . VAL . 10092 1 89 . GLY . 10092 1 90 . ASP . 10092 1 91 . LEU . 10092 1 92 . VAL . 10092 1 93 . ASP . 10092 1 94 . LEU . 10092 1 95 . LEU . 10092 1 96 . VAL . 10092 1 97 . GLN . 10092 1 98 . ILE . 10092 1 99 . GLU . 10092 1 100 . LEU . 10092 1 101 . PHE . 10092 1 102 . ALA . 10092 1 103 . PRO . 10092 1 104 . ALA . 10092 1 105 . THR . 10092 1 106 . LEU . 10092 1 107 . LEU . 10092 1 108 . LEU . 10092 1 109 . PRO . 10092 1 110 . ASP . 10092 1 111 . ALA . 10092 1 112 . VAL . 10092 1 113 . PRO . 10092 1 114 . GLN . 10092 1 115 . THR . 10092 1 116 . VAL . 10092 1 117 . LYS . 10092 1 118 . SER . 10092 1 119 . LEU . 10092 1 120 . PRO . 10092 1 121 . PRO . 10092 1 122 . SER . 10092 1 123 . GLY . 10092 1 124 . PRO . 10092 1 125 . SER . 10092 1 126 . SER . 10092 1 127 . GLY . 10092 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 10092 1 . SER 2 2 10092 1 . SER 3 3 10092 1 . GLY 4 4 10092 1 . SER 5 5 10092 1 . SER 6 6 10092 1 . GLY 7 7 10092 1 . MET 8 8 10092 1 . ASN 9 9 10092 1 . LYS 10 10 10092 1 . PRO 11 11 10092 1 . LEU 12 12 10092 1 . THR 13 13 10092 1 . PRO 14 14 10092 1 . SER 15 15 10092 1 . THR 16 16 10092 1 . TYR 17 17 10092 1 . ILE 18 18 10092 1 . ARG 19 19 10092 1 . ASN 20 20 10092 1 . LEU 21 21 10092 1 . ASN 22 22 10092 1 . VAL 23 23 10092 1 . GLY 24 24 10092 1 . ILE 25 25 10092 1 . LEU 26 26 10092 1 . ARG 27 27 10092 1 . LYS 28 28 10092 1 . LEU 29 29 10092 1 . SER 30 30 10092 1 . ASP 31 31 10092 1 . PHE 32 32 10092 1 . ILE 33 33 10092 1 . ASP 34 34 10092 1 . PRO 35 35 10092 1 . GLN 36 36 10092 1 . GLU 37 37 10092 1 . GLY 38 38 10092 1 . TRP 39 39 10092 1 . LYS 40 40 10092 1 . LYS 41 41 10092 1 . LEU 42 42 10092 1 . ALA 43 43 10092 1 . VAL 44 44 10092 1 . ALA 45 45 10092 1 . ILE 46 46 10092 1 . LYS 47 47 10092 1 . LYS 48 48 10092 1 . PRO 49 49 10092 1 . SER 50 50 10092 1 . GLY 51 51 10092 1 . ASP 52 52 10092 1 . ASP 53 53 10092 1 . ARG 54 54 10092 1 . TYR 55 55 10092 1 . ASN 56 56 10092 1 . GLN 57 57 10092 1 . PHE 58 58 10092 1 . HIS 59 59 10092 1 . ILE 60 60 10092 1 . ARG 61 61 10092 1 . ARG 62 62 10092 1 . PHE 63 63 10092 1 . GLU 64 64 10092 1 . ALA 65 65 10092 1 . LEU 66 66 10092 1 . LEU 67 67 10092 1 . GLN 68 68 10092 1 . THR 69 69 10092 1 . GLY 70 70 10092 1 . LYS 71 71 10092 1 . SER 72 72 10092 1 . PRO 73 73 10092 1 . THR 74 74 10092 1 . CYS 75 75 10092 1 . GLU 76 76 10092 1 . LEU 77 77 10092 1 . LEU 78 78 10092 1 . PHE 79 79 10092 1 . ASP 80 80 10092 1 . TRP 81 81 10092 1 . GLY 82 82 10092 1 . THR 83 83 10092 1 . THR 84 84 10092 1 . ASN 85 85 10092 1 . CYS 86 86 10092 1 . THR 87 87 10092 1 . VAL 88 88 10092 1 . GLY 89 89 10092 1 . ASP 90 90 10092 1 . LEU 91 91 10092 1 . VAL 92 92 10092 1 . ASP 93 93 10092 1 . LEU 94 94 10092 1 . LEU 95 95 10092 1 . VAL 96 96 10092 1 . GLN 97 97 10092 1 . ILE 98 98 10092 1 . GLU 99 99 10092 1 . LEU 100 100 10092 1 . PHE 101 101 10092 1 . ALA 102 102 10092 1 . PRO 103 103 10092 1 . ALA 104 104 10092 1 . THR 105 105 10092 1 . LEU 106 106 10092 1 . LEU 107 107 10092 1 . LEU 108 108 10092 1 . PRO 109 109 10092 1 . ASP 110 110 10092 1 . ALA 111 111 10092 1 . VAL 112 112 10092 1 . PRO 113 113 10092 1 . GLN 114 114 10092 1 . THR 115 115 10092 1 . VAL 116 116 10092 1 . LYS 117 117 10092 1 . SER 118 118 10092 1 . LEU 119 119 10092 1 . PRO 120 120 10092 1 . PRO 121 121 10092 1 . SER 122 122 10092 1 . GLY 123 123 10092 1 . PRO 124 124 10092 1 . SER 125 125 10092 1 . SER 126 126 10092 1 . GLY 127 127 10092 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 10092 _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 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10092 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 10092 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P021209-23 . . . . . . 10092 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10092 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DEATH domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 10092 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10092 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10092 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10092 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10092 1 6 H2O . . . . . . solvent 90 . . % . . . . 10092 1 7 D2O . . . . . . solvent 10 . . % . . . . 10092 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 10092 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10092 1 pH 7.5 0.05 pH 10092 1 pressure 1 0.001 atm 10092 1 temperature 296 0.1 K 10092 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10092 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10092 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10092 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10092 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10092 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10092 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10092 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10092 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10092 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10092 _Software.ID 4 _Software.Name Kujira _Software.Version 0.901 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10092 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10092 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10092 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10092 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10092 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10092 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Billeter, M.' . . 10092 6 'Guntert, P.' . . 10092 6 'Koradi, R.' . . 10092 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10092 6 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 10092 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10092 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10092 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10092 1 stop_ save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10092 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10092 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10092 _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 . . . . . . . . . 10092 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10092 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10092 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 10092 _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 15N-separated NOESY' 1 $sample_1 isotropic 10092 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10092 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 8 8 MET HA H 1 4.475 0.030 . 1 . . . . 8 MET HA . 10092 1 2 . 1 1 8 8 MET HB2 H 1 2.073 0.030 . 1 . . . . 8 MET HB2 . 10092 1 3 . 1 1 8 8 MET HB3 H 1 2.073 0.030 . 1 . . . . 8 MET HB3 . 10092 1 4 . 1 1 8 8 MET HG2 H 1 2.526 0.030 . 1 . . . . 8 MET HG2 . 10092 1 5 . 1 1 8 8 MET HG3 H 1 2.526 0.030 . 1 . . . . 8 MET HG3 . 10092 1 6 . 1 1 8 8 MET HE1 H 1 2.112 0.030 . 1 . . . . 8 MET HE . 10092 1 7 . 1 1 8 8 MET HE2 H 1 2.112 0.030 . 1 . . . . 8 MET HE . 10092 1 8 . 1 1 8 8 MET HE3 H 1 2.112 0.030 . 1 . . . . 8 MET HE . 10092 1 9 . 1 1 8 8 MET CA C 13 55.625 0.300 . 1 . . . . 8 MET CA . 10092 1 10 . 1 1 8 8 MET CE C 13 16.980 0.300 . 1 . . . . 8 MET CE . 10092 1 11 . 1 1 9 9 ASN HA H 1 4.751 0.030 . 1 . . . . 9 ASN HA . 10092 1 12 . 1 1 9 9 ASN HB2 H 1 2.823 0.030 . 2 . . . . 9 ASN HB2 . 10092 1 13 . 1 1 9 9 ASN HB3 H 1 2.749 0.030 . 2 . . . . 9 ASN HB3 . 10092 1 14 . 1 1 9 9 ASN CB C 13 38.890 0.300 . 1 . . . . 9 ASN CB . 10092 1 15 . 1 1 10 10 LYS H H 1 8.545 0.030 . 1 . . . . 10 LYS H . 10092 1 16 . 1 1 10 10 LYS HA H 1 4.613 0.030 . 1 . . . . 10 LYS HA . 10092 1 17 . 1 1 10 10 LYS HB2 H 1 1.713 0.030 . 2 . . . . 10 LYS HB2 . 10092 1 18 . 1 1 10 10 LYS HB3 H 1 1.854 0.030 . 2 . . . . 10 LYS HB3 . 10092 1 19 . 1 1 10 10 LYS HG2 H 1 1.489 0.030 . 2 . . . . 10 LYS HG2 . 10092 1 20 . 1 1 10 10 LYS HG3 H 1 1.438 0.030 . 2 . . . . 10 LYS HG3 . 10092 1 21 . 1 1 10 10 LYS CA C 13 54.153 0.300 . 1 . . . . 10 LYS CA . 10092 1 22 . 1 1 10 10 LYS CB C 13 32.646 0.300 . 1 . . . . 10 LYS CB . 10092 1 23 . 1 1 10 10 LYS CG C 13 24.678 0.300 . 1 . . . . 10 LYS CG . 10092 1 24 . 1 1 11 11 PRO HA H 1 4.425 0.030 . 1 . . . . 11 PRO HA . 10092 1 25 . 1 1 11 11 PRO HB2 H 1 2.325 0.030 . 2 . . . . 11 PRO HB2 . 10092 1 26 . 1 1 11 11 PRO HB3 H 1 1.878 0.030 . 2 . . . . 11 PRO HB3 . 10092 1 27 . 1 1 11 11 PRO HG2 H 1 1.970 0.030 . 1 . . . . 11 PRO HG2 . 10092 1 28 . 1 1 11 11 PRO HG3 H 1 1.970 0.030 . 1 . . . . 11 PRO HG3 . 10092 1 29 . 1 1 11 11 PRO HD2 H 1 3.638 0.030 . 2 . . . . 11 PRO HD2 . 10092 1 30 . 1 1 11 11 PRO HD3 H 1 3.805 0.030 . 2 . . . . 11 PRO HD3 . 10092 1 31 . 1 1 11 11 PRO C C 13 176.799 0.300 . 1 . . . . 11 PRO C . 10092 1 32 . 1 1 11 11 PRO CA C 13 63.010 0.300 . 1 . . . . 11 PRO CA . 10092 1 33 . 1 1 11 11 PRO CB C 13 32.246 0.300 . 1 . . . . 11 PRO CB . 10092 1 34 . 1 1 11 11 PRO CG C 13 27.385 0.300 . 1 . . . . 11 PRO CG . 10092 1 35 . 1 1 11 11 PRO CD C 13 50.784 0.300 . 1 . . . . 11 PRO CD . 10092 1 36 . 1 1 12 12 LEU H H 1 8.536 0.030 . 1 . . . . 12 LEU H . 10092 1 37 . 1 1 12 12 LEU HA H 1 4.397 0.030 . 1 . . . . 12 LEU HA . 10092 1 38 . 1 1 12 12 LEU HB2 H 1 1.380 0.030 . 2 . . . . 12 LEU HB2 . 10092 1 39 . 1 1 12 12 LEU HB3 H 1 1.935 0.030 . 2 . . . . 12 LEU HB3 . 10092 1 40 . 1 1 12 12 LEU HG H 1 1.863 0.030 . 1 . . . . 12 LEU HG . 10092 1 41 . 1 1 12 12 LEU HD11 H 1 0.967 0.030 . 1 . . . . 12 LEU HD1 . 10092 1 42 . 1 1 12 12 LEU HD12 H 1 0.967 0.030 . 1 . . . . 12 LEU HD1 . 10092 1 43 . 1 1 12 12 LEU HD13 H 1 0.967 0.030 . 1 . . . . 12 LEU HD1 . 10092 1 44 . 1 1 12 12 LEU HD21 H 1 1.044 0.030 . 1 . . . . 12 LEU HD2 . 10092 1 45 . 1 1 12 12 LEU HD22 H 1 1.044 0.030 . 1 . . . . 12 LEU HD2 . 10092 1 46 . 1 1 12 12 LEU HD23 H 1 1.044 0.030 . 1 . . . . 12 LEU HD2 . 10092 1 47 . 1 1 12 12 LEU C C 13 176.241 0.300 . 1 . . . . 12 LEU C . 10092 1 48 . 1 1 12 12 LEU CA C 13 54.945 0.300 . 1 . . . . 12 LEU CA . 10092 1 49 . 1 1 12 12 LEU CB C 13 42.833 0.300 . 1 . . . . 12 LEU CB . 10092 1 50 . 1 1 12 12 LEU CG C 13 27.332 0.300 . 1 . . . . 12 LEU CG . 10092 1 51 . 1 1 12 12 LEU CD1 C 13 24.419 0.300 . 2 . . . . 12 LEU CD1 . 10092 1 52 . 1 1 12 12 LEU CD2 C 13 26.538 0.300 . 2 . . . . 12 LEU CD2 . 10092 1 53 . 1 1 12 12 LEU N N 15 121.991 0.300 . 1 . . . . 12 LEU N . 10092 1 54 . 1 1 13 13 THR H H 1 7.900 0.030 . 1 . . . . 13 THR H . 10092 1 55 . 1 1 13 13 THR HA H 1 4.907 0.030 . 1 . . . . 13 THR HA . 10092 1 56 . 1 1 13 13 THR HB H 1 4.560 0.030 . 1 . . . . 13 THR HB . 10092 1 57 . 1 1 13 13 THR HG21 H 1 1.135 0.030 . 1 . . . . 13 THR HG2 . 10092 1 58 . 1 1 13 13 THR HG22 H 1 1.135 0.030 . 1 . . . . 13 THR HG2 . 10092 1 59 . 1 1 13 13 THR HG23 H 1 1.135 0.030 . 1 . . . . 13 THR HG2 . 10092 1 60 . 1 1 13 13 THR C C 13 173.833 0.300 . 1 . . . . 13 THR C . 10092 1 61 . 1 1 13 13 THR CA C 13 58.679 0.300 . 1 . . . . 13 THR CA . 10092 1 62 . 1 1 13 13 THR CB C 13 69.651 0.300 . 1 . . . . 13 THR CB . 10092 1 63 . 1 1 13 13 THR CG2 C 13 21.491 0.300 . 1 . . . . 13 THR CG2 . 10092 1 64 . 1 1 13 13 THR N N 15 111.625 0.300 . 1 . . . . 13 THR N . 10092 1 65 . 1 1 14 14 PRO HA H 1 4.054 0.030 . 1 . . . . 14 PRO HA . 10092 1 66 . 1 1 14 14 PRO HB2 H 1 1.991 0.030 . 2 . . . . 14 PRO HB2 . 10092 1 67 . 1 1 14 14 PRO HB3 H 1 2.358 0.030 . 2 . . . . 14 PRO HB3 . 10092 1 68 . 1 1 14 14 PRO HG2 H 1 2.180 0.030 . 2 . . . . 14 PRO HG2 . 10092 1 69 . 1 1 14 14 PRO HG3 H 1 2.015 0.030 . 2 . . . . 14 PRO HG3 . 10092 1 70 . 1 1 14 14 PRO HD2 H 1 3.840 0.030 . 2 . . . . 14 PRO HD2 . 10092 1 71 . 1 1 14 14 PRO HD3 H 1 3.911 0.030 . 2 . . . . 14 PRO HD3 . 10092 1 72 . 1 1 14 14 PRO C C 13 176.799 0.300 . 1 . . . . 14 PRO C . 10092 1 73 . 1 1 14 14 PRO CA C 13 65.024 0.300 . 1 . . . . 14 PRO CA . 10092 1 74 . 1 1 14 14 PRO CB C 13 31.717 0.300 . 1 . . . . 14 PRO CB . 10092 1 75 . 1 1 14 14 PRO CG C 13 27.996 0.300 . 1 . . . . 14 PRO CG . 10092 1 76 . 1 1 14 14 PRO CD C 13 50.600 0.300 . 1 . . . . 14 PRO CD . 10092 1 77 . 1 1 15 15 SER H H 1 7.428 0.030 . 1 . . . . 15 SER H . 10092 1 78 . 1 1 15 15 SER HA H 1 4.286 0.030 . 1 . . . . 15 SER HA . 10092 1 79 . 1 1 15 15 SER HB2 H 1 3.832 0.030 . 2 . . . . 15 SER HB2 . 10092 1 80 . 1 1 15 15 SER HB3 H 1 3.772 0.030 . 2 . . . . 15 SER HB3 . 10092 1 81 . 1 1 15 15 SER C C 13 174.149 0.300 . 1 . . . . 15 SER C . 10092 1 82 . 1 1 15 15 SER CA C 13 58.043 0.300 . 1 . . . . 15 SER CA . 10092 1 83 . 1 1 15 15 SER CB C 13 63.328 0.300 . 1 . . . . 15 SER CB . 10092 1 84 . 1 1 15 15 SER N N 15 106.562 0.300 . 1 . . . . 15 SER N . 10092 1 85 . 1 1 16 16 THR H H 1 7.648 0.030 . 1 . . . . 16 THR H . 10092 1 86 . 1 1 16 16 THR HA H 1 3.809 0.030 . 1 . . . . 16 THR HA . 10092 1 87 . 1 1 16 16 THR HB H 1 4.088 0.030 . 1 . . . . 16 THR HB . 10092 1 88 . 1 1 16 16 THR HG21 H 1 1.290 0.030 . 1 . . . . 16 THR HG2 . 10092 1 89 . 1 1 16 16 THR HG22 H 1 1.290 0.030 . 1 . . . . 16 THR HG2 . 10092 1 90 . 1 1 16 16 THR HG23 H 1 1.290 0.030 . 1 . . . . 16 THR HG2 . 10092 1 91 . 1 1 16 16 THR C C 13 174.039 0.300 . 1 . . . . 16 THR C . 10092 1 92 . 1 1 16 16 THR CA C 13 64.373 0.300 . 1 . . . . 16 THR CA . 10092 1 93 . 1 1 16 16 THR CB C 13 69.980 0.300 . 1 . . . . 16 THR CB . 10092 1 94 . 1 1 16 16 THR CG2 C 13 20.711 0.300 . 1 . . . . 16 THR CG2 . 10092 1 95 . 1 1 16 16 THR N N 15 121.487 0.300 . 1 . . . . 16 THR N . 10092 1 96 . 1 1 17 17 TYR H H 1 8.706 0.030 . 1 . . . . 17 TYR H . 10092 1 97 . 1 1 17 17 TYR HA H 1 4.607 0.030 . 1 . . . . 17 TYR HA . 10092 1 98 . 1 1 17 17 TYR HB2 H 1 2.670 0.030 . 2 . . . . 17 TYR HB2 . 10092 1 99 . 1 1 17 17 TYR HB3 H 1 3.480 0.030 . 2 . . . . 17 TYR HB3 . 10092 1 100 . 1 1 17 17 TYR HD1 H 1 6.956 0.030 . 1 . . . . 17 TYR HD1 . 10092 1 101 . 1 1 17 17 TYR HD2 H 1 6.956 0.030 . 1 . . . . 17 TYR HD2 . 10092 1 102 . 1 1 17 17 TYR HE1 H 1 6.815 0.030 . 1 . . . . 17 TYR HE1 . 10092 1 103 . 1 1 17 17 TYR HE2 H 1 6.815 0.030 . 1 . . . . 17 TYR HE2 . 10092 1 104 . 1 1 17 17 TYR C C 13 177.933 0.300 . 1 . . . . 17 TYR C . 10092 1 105 . 1 1 17 17 TYR CA C 13 58.296 0.300 . 1 . . . . 17 TYR CA . 10092 1 106 . 1 1 17 17 TYR CB C 13 37.272 0.300 . 1 . . . . 17 TYR CB . 10092 1 107 . 1 1 17 17 TYR CD1 C 13 132.134 0.300 . 1 . . . . 17 TYR CD1 . 10092 1 108 . 1 1 17 17 TYR CD2 C 13 132.134 0.300 . 1 . . . . 17 TYR CD2 . 10092 1 109 . 1 1 17 17 TYR CE1 C 13 118.280 0.300 . 1 . . . . 17 TYR CE1 . 10092 1 110 . 1 1 17 17 TYR CE2 C 13 118.280 0.300 . 1 . . . . 17 TYR CE2 . 10092 1 111 . 1 1 17 17 TYR N N 15 126.909 0.300 . 1 . . . . 17 TYR N . 10092 1 112 . 1 1 18 18 ILE H H 1 8.170 0.030 . 1 . . . . 18 ILE H . 10092 1 113 . 1 1 18 18 ILE HA H 1 3.635 0.030 . 1 . . . . 18 ILE HA . 10092 1 114 . 1 1 18 18 ILE HB H 1 1.862 0.030 . 1 . . . . 18 ILE HB . 10092 1 115 . 1 1 18 18 ILE HG12 H 1 0.918 0.030 . 2 . . . . 18 ILE HG12 . 10092 1 116 . 1 1 18 18 ILE HG13 H 1 1.107 0.030 . 2 . . . . 18 ILE HG13 . 10092 1 117 . 1 1 18 18 ILE HG21 H 1 0.723 0.030 . 1 . . . . 18 ILE HG2 . 10092 1 118 . 1 1 18 18 ILE HG22 H 1 0.723 0.030 . 1 . . . . 18 ILE HG2 . 10092 1 119 . 1 1 18 18 ILE HG23 H 1 0.723 0.030 . 1 . . . . 18 ILE HG2 . 10092 1 120 . 1 1 18 18 ILE HD11 H 1 0.564 0.030 . 1 . . . . 18 ILE HD1 . 10092 1 121 . 1 1 18 18 ILE HD12 H 1 0.564 0.030 . 1 . . . . 18 ILE HD1 . 10092 1 122 . 1 1 18 18 ILE HD13 H 1 0.564 0.030 . 1 . . . . 18 ILE HD1 . 10092 1 123 . 1 1 18 18 ILE C C 13 178.671 0.300 . 1 . . . . 18 ILE C . 10092 1 124 . 1 1 18 18 ILE CA C 13 62.813 0.300 . 1 . . . . 18 ILE CA . 10092 1 125 . 1 1 18 18 ILE CB C 13 35.583 0.300 . 1 . . . . 18 ILE CB . 10092 1 126 . 1 1 18 18 ILE CG1 C 13 28.132 0.300 . 1 . . . . 18 ILE CG1 . 10092 1 127 . 1 1 18 18 ILE CG2 C 13 17.506 0.300 . 1 . . . . 18 ILE CG2 . 10092 1 128 . 1 1 18 18 ILE CD1 C 13 12.459 0.300 . 1 . . . . 18 ILE CD1 . 10092 1 129 . 1 1 18 18 ILE N N 15 122.778 0.300 . 1 . . . . 18 ILE N . 10092 1 130 . 1 1 19 19 ARG H H 1 8.702 0.030 . 1 . . . . 19 ARG H . 10092 1 131 . 1 1 19 19 ARG HA H 1 4.356 0.030 . 1 . . . . 19 ARG HA . 10092 1 132 . 1 1 19 19 ARG HB2 H 1 1.585 0.030 . 2 . . . . 19 ARG HB2 . 10092 1 133 . 1 1 19 19 ARG HB3 H 1 1.902 0.030 . 2 . . . . 19 ARG HB3 . 10092 1 134 . 1 1 19 19 ARG HG2 H 1 1.314 0.030 . 2 . . . . 19 ARG HG2 . 10092 1 135 . 1 1 19 19 ARG HG3 H 1 1.525 0.030 . 2 . . . . 19 ARG HG3 . 10092 1 136 . 1 1 19 19 ARG HD2 H 1 3.084 0.030 . 2 . . . . 19 ARG HD2 . 10092 1 137 . 1 1 19 19 ARG HD3 H 1 3.021 0.030 . 2 . . . . 19 ARG HD3 . 10092 1 138 . 1 1 19 19 ARG C C 13 175.902 0.300 . 1 . . . . 19 ARG C . 10092 1 139 . 1 1 19 19 ARG CA C 13 57.321 0.300 . 1 . . . . 19 ARG CA . 10092 1 140 . 1 1 19 19 ARG CB C 13 28.909 0.300 . 1 . . . . 19 ARG CB . 10092 1 141 . 1 1 19 19 ARG CG C 13 25.984 0.300 . 1 . . . . 19 ARG CG . 10092 1 142 . 1 1 19 19 ARG CD C 13 43.273 0.300 . 1 . . . . 19 ARG CD . 10092 1 143 . 1 1 19 19 ARG N N 15 116.028 0.300 . 1 . . . . 19 ARG N . 10092 1 144 . 1 1 20 20 ASN H H 1 7.734 0.030 . 1 . . . . 20 ASN H . 10092 1 145 . 1 1 20 20 ASN HA H 1 5.062 0.030 . 1 . . . . 20 ASN HA . 10092 1 146 . 1 1 20 20 ASN HB2 H 1 2.718 0.030 . 2 . . . . 20 ASN HB2 . 10092 1 147 . 1 1 20 20 ASN HB3 H 1 3.219 0.030 . 2 . . . . 20 ASN HB3 . 10092 1 148 . 1 1 20 20 ASN HD21 H 1 7.936 0.030 . 2 . . . . 20 ASN HD21 . 10092 1 149 . 1 1 20 20 ASN HD22 H 1 7.098 0.030 . 2 . . . . 20 ASN HD22 . 10092 1 150 . 1 1 20 20 ASN C C 13 175.659 0.300 . 1 . . . . 20 ASN C . 10092 1 151 . 1 1 20 20 ASN CA C 13 52.676 0.300 . 1 . . . . 20 ASN CA . 10092 1 152 . 1 1 20 20 ASN CB C 13 39.373 0.300 . 1 . . . . 20 ASN CB . 10092 1 153 . 1 1 20 20 ASN N N 15 117.492 0.300 . 1 . . . . 20 ASN N . 10092 1 154 . 1 1 20 20 ASN ND2 N 15 111.695 0.300 . 1 . . . . 20 ASN ND2 . 10092 1 155 . 1 1 21 21 LEU H H 1 7.523 0.030 . 1 . . . . 21 LEU H . 10092 1 156 . 1 1 21 21 LEU HA H 1 4.245 0.030 . 1 . . . . 21 LEU HA . 10092 1 157 . 1 1 21 21 LEU HB2 H 1 1.240 0.030 . 2 . . . . 21 LEU HB2 . 10092 1 158 . 1 1 21 21 LEU HB3 H 1 1.890 0.030 . 2 . . . . 21 LEU HB3 . 10092 1 159 . 1 1 21 21 LEU HG H 1 2.007 0.030 . 1 . . . . 21 LEU HG . 10092 1 160 . 1 1 21 21 LEU HD11 H 1 0.790 0.030 . 1 . . . . 21 LEU HD1 . 10092 1 161 . 1 1 21 21 LEU HD12 H 1 0.790 0.030 . 1 . . . . 21 LEU HD1 . 10092 1 162 . 1 1 21 21 LEU HD13 H 1 0.790 0.030 . 1 . . . . 21 LEU HD1 . 10092 1 163 . 1 1 21 21 LEU HD21 H 1 0.812 0.030 . 1 . . . . 21 LEU HD2 . 10092 1 164 . 1 1 21 21 LEU HD22 H 1 0.812 0.030 . 1 . . . . 21 LEU HD2 . 10092 1 165 . 1 1 21 21 LEU HD23 H 1 0.812 0.030 . 1 . . . . 21 LEU HD2 . 10092 1 166 . 1 1 21 21 LEU C C 13 176.591 0.300 . 1 . . . . 21 LEU C . 10092 1 167 . 1 1 21 21 LEU CA C 13 55.468 0.300 . 1 . . . . 21 LEU CA . 10092 1 168 . 1 1 21 21 LEU CB C 13 42.274 0.300 . 1 . . . . 21 LEU CB . 10092 1 169 . 1 1 21 21 LEU CG C 13 26.538 0.300 . 1 . . . . 21 LEU CG . 10092 1 170 . 1 1 21 21 LEU CD1 C 13 25.741 0.300 . 2 . . . . 21 LEU CD1 . 10092 1 171 . 1 1 21 21 LEU CD2 C 13 23.616 0.300 . 2 . . . . 21 LEU CD2 . 10092 1 172 . 1 1 21 21 LEU N N 15 121.459 0.300 . 1 . . . . 21 LEU N . 10092 1 173 . 1 1 22 22 ASN H H 1 8.377 0.030 . 1 . . . . 22 ASN H . 10092 1 174 . 1 1 22 22 ASN HA H 1 4.702 0.030 . 1 . . . . 22 ASN HA . 10092 1 175 . 1 1 22 22 ASN HB2 H 1 3.161 0.030 . 2 . . . . 22 ASN HB2 . 10092 1 176 . 1 1 22 22 ASN HB3 H 1 2.866 0.030 . 2 . . . . 22 ASN HB3 . 10092 1 177 . 1 1 22 22 ASN C C 13 175.817 0.300 . 1 . . . . 22 ASN C . 10092 1 178 . 1 1 22 22 ASN CA C 13 52.812 0.300 . 1 . . . . 22 ASN CA . 10092 1 179 . 1 1 22 22 ASN CB C 13 39.949 0.300 . 1 . . . . 22 ASN CB . 10092 1 180 . 1 1 22 22 ASN N N 15 119.767 0.300 . 1 . . . . 22 ASN N . 10092 1 181 . 1 1 23 23 VAL H H 1 8.570 0.030 . 1 . . . . 23 VAL H . 10092 1 182 . 1 1 23 23 VAL HA H 1 3.854 0.030 . 1 . . . . 23 VAL HA . 10092 1 183 . 1 1 23 23 VAL HB H 1 2.180 0.030 . 1 . . . . 23 VAL HB . 10092 1 184 . 1 1 23 23 VAL HG11 H 1 1.044 0.030 . 1 . . . . 23 VAL HG1 . 10092 1 185 . 1 1 23 23 VAL HG12 H 1 1.044 0.030 . 1 . . . . 23 VAL HG1 . 10092 1 186 . 1 1 23 23 VAL HG13 H 1 1.044 0.030 . 1 . . . . 23 VAL HG1 . 10092 1 187 . 1 1 23 23 VAL HG21 H 1 1.091 0.030 . 1 . . . . 23 VAL HG2 . 10092 1 188 . 1 1 23 23 VAL HG22 H 1 1.091 0.030 . 1 . . . . 23 VAL HG2 . 10092 1 189 . 1 1 23 23 VAL HG23 H 1 1.091 0.030 . 1 . . . . 23 VAL HG2 . 10092 1 190 . 1 1 23 23 VAL C C 13 177.269 0.300 . 1 . . . . 23 VAL C . 10092 1 191 . 1 1 23 23 VAL CA C 13 65.757 0.300 . 1 . . . . 23 VAL CA . 10092 1 192 . 1 1 23 23 VAL CB C 13 31.793 0.300 . 1 . . . . 23 VAL CB . 10092 1 193 . 1 1 23 23 VAL CG1 C 13 20.694 0.300 . 2 . . . . 23 VAL CG1 . 10092 1 194 . 1 1 23 23 VAL CG2 C 13 21.225 0.300 . 2 . . . . 23 VAL CG2 . 10092 1 195 . 1 1 23 23 VAL N N 15 119.370 0.300 . 1 . . . . 23 VAL N . 10092 1 196 . 1 1 24 24 GLY H H 1 8.540 0.030 . 1 . . . . 24 GLY H . 10092 1 197 . 1 1 24 24 GLY HA2 H 1 3.850 0.030 . 2 . . . . 24 GLY HA2 . 10092 1 198 . 1 1 24 24 GLY HA3 H 1 3.928 0.030 . 2 . . . . 24 GLY HA3 . 10092 1 199 . 1 1 24 24 GLY C C 13 177.183 0.300 . 1 . . . . 24 GLY C . 10092 1 200 . 1 1 24 24 GLY CA C 13 47.040 0.300 . 1 . . . . 24 GLY CA . 10092 1 201 . 1 1 24 24 GLY N N 15 109.448 0.300 . 1 . . . . 24 GLY N . 10092 1 202 . 1 1 25 25 ILE H H 1 7.754 0.030 . 1 . . . . 25 ILE H . 10092 1 203 . 1 1 25 25 ILE HA H 1 3.959 0.030 . 1 . . . . 25 ILE HA . 10092 1 204 . 1 1 25 25 ILE HB H 1 2.049 0.030 . 1 . . . . 25 ILE HB . 10092 1 205 . 1 1 25 25 ILE HG12 H 1 1.385 0.030 . 2 . . . . 25 ILE HG12 . 10092 1 206 . 1 1 25 25 ILE HG13 H 1 1.604 0.030 . 2 . . . . 25 ILE HG13 . 10092 1 207 . 1 1 25 25 ILE HG21 H 1 0.929 0.030 . 1 . . . . 25 ILE HG2 . 10092 1 208 . 1 1 25 25 ILE HG22 H 1 0.929 0.030 . 1 . . . . 25 ILE HG2 . 10092 1 209 . 1 1 25 25 ILE HG23 H 1 0.929 0.030 . 1 . . . . 25 ILE HG2 . 10092 1 210 . 1 1 25 25 ILE HD11 H 1 0.913 0.030 . 1 . . . . 25 ILE HD1 . 10092 1 211 . 1 1 25 25 ILE HD12 H 1 0.913 0.030 . 1 . . . . 25 ILE HD1 . 10092 1 212 . 1 1 25 25 ILE HD13 H 1 0.913 0.030 . 1 . . . . 25 ILE HD1 . 10092 1 213 . 1 1 25 25 ILE C C 13 177.765 0.300 . 1 . . . . 25 ILE C . 10092 1 214 . 1 1 25 25 ILE CA C 13 62.915 0.300 . 1 . . . . 25 ILE CA . 10092 1 215 . 1 1 25 25 ILE CB C 13 36.983 0.300 . 1 . . . . 25 ILE CB . 10092 1 216 . 1 1 25 25 ILE CG1 C 13 28.845 0.300 . 1 . . . . 25 ILE CG1 . 10092 1 217 . 1 1 25 25 ILE CG2 C 13 18.655 0.300 . 1 . . . . 25 ILE CG2 . 10092 1 218 . 1 1 25 25 ILE CD1 C 13 12.076 0.300 . 1 . . . . 25 ILE CD1 . 10092 1 219 . 1 1 25 25 ILE N N 15 122.584 0.300 . 1 . . . . 25 ILE N . 10092 1 220 . 1 1 26 26 LEU H H 1 7.840 0.030 . 1 . . . . 26 LEU H . 10092 1 221 . 1 1 26 26 LEU HA H 1 3.845 0.030 . 1 . . . . 26 LEU HA . 10092 1 222 . 1 1 26 26 LEU HB2 H 1 1.583 0.030 . 2 . . . . 26 LEU HB2 . 10092 1 223 . 1 1 26 26 LEU HB3 H 1 1.895 0.030 . 2 . . . . 26 LEU HB3 . 10092 1 224 . 1 1 26 26 LEU HG H 1 1.620 0.030 . 1 . . . . 26 LEU HG . 10092 1 225 . 1 1 26 26 LEU HD11 H 1 0.861 0.030 . 1 . . . . 26 LEU HD1 . 10092 1 226 . 1 1 26 26 LEU HD12 H 1 0.861 0.030 . 1 . . . . 26 LEU HD1 . 10092 1 227 . 1 1 26 26 LEU HD13 H 1 0.861 0.030 . 1 . . . . 26 LEU HD1 . 10092 1 228 . 1 1 26 26 LEU HD21 H 1 0.793 0.030 . 1 . . . . 26 LEU HD2 . 10092 1 229 . 1 1 26 26 LEU HD22 H 1 0.793 0.030 . 1 . . . . 26 LEU HD2 . 10092 1 230 . 1 1 26 26 LEU HD23 H 1 0.793 0.030 . 1 . . . . 26 LEU HD2 . 10092 1 231 . 1 1 26 26 LEU C C 13 179.142 0.300 . 1 . . . . 26 LEU C . 10092 1 232 . 1 1 26 26 LEU CA C 13 58.679 0.300 . 1 . . . . 26 LEU CA . 10092 1 233 . 1 1 26 26 LEU CB C 13 41.546 0.300 . 1 . . . . 26 LEU CB . 10092 1 234 . 1 1 26 26 LEU CG C 13 27.271 0.300 . 1 . . . . 26 LEU CG . 10092 1 235 . 1 1 26 26 LEU CD1 C 13 25.475 0.300 . 2 . . . . 26 LEU CD1 . 10092 1 236 . 1 1 26 26 LEU CD2 C 13 23.748 0.300 . 2 . . . . 26 LEU CD2 . 10092 1 237 . 1 1 26 26 LEU N N 15 121.364 0.300 . 1 . . . . 26 LEU N . 10092 1 238 . 1 1 27 27 ARG H H 1 8.321 0.030 . 1 . . . . 27 ARG H . 10092 1 239 . 1 1 27 27 ARG HA H 1 3.981 0.030 . 1 . . . . 27 ARG HA . 10092 1 240 . 1 1 27 27 ARG HB2 H 1 1.962 0.030 . 2 . . . . 27 ARG HB2 . 10092 1 241 . 1 1 27 27 ARG HB3 H 1 1.920 0.030 . 2 . . . . 27 ARG HB3 . 10092 1 242 . 1 1 27 27 ARG HG2 H 1 1.719 0.030 . 1 . . . . 27 ARG HG2 . 10092 1 243 . 1 1 27 27 ARG HG3 H 1 1.719 0.030 . 1 . . . . 27 ARG HG3 . 10092 1 244 . 1 1 27 27 ARG HD2 H 1 3.203 0.030 . 1 . . . . 27 ARG HD2 . 10092 1 245 . 1 1 27 27 ARG HD3 H 1 3.203 0.030 . 1 . . . . 27 ARG HD3 . 10092 1 246 . 1 1 27 27 ARG C C 13 178.743 0.300 . 1 . . . . 27 ARG C . 10092 1 247 . 1 1 27 27 ARG CA C 13 58.890 0.300 . 1 . . . . 27 ARG CA . 10092 1 248 . 1 1 27 27 ARG CB C 13 29.609 0.300 . 1 . . . . 27 ARG CB . 10092 1 249 . 1 1 27 27 ARG CG C 13 27.354 0.300 . 1 . . . . 27 ARG CG . 10092 1 250 . 1 1 27 27 ARG CD C 13 43.178 0.300 . 1 . . . . 27 ARG CD . 10092 1 251 . 1 1 27 27 ARG N N 15 118.220 0.300 . 1 . . . . 27 ARG N . 10092 1 252 . 1 1 28 28 LYS H H 1 7.387 0.030 . 1 . . . . 28 LYS H . 10092 1 253 . 1 1 28 28 LYS HA H 1 4.051 0.030 . 1 . . . . 28 LYS HA . 10092 1 254 . 1 1 28 28 LYS HB2 H 1 1.793 0.030 . 2 . . . . 28 LYS HB2 . 10092 1 255 . 1 1 28 28 LYS HB3 H 1 1.978 0.030 . 2 . . . . 28 LYS HB3 . 10092 1 256 . 1 1 28 28 LYS HG2 H 1 1.629 0.030 . 2 . . . . 28 LYS HG2 . 10092 1 257 . 1 1 28 28 LYS HG3 H 1 1.511 0.030 . 2 . . . . 28 LYS HG3 . 10092 1 258 . 1 1 28 28 LYS HD2 H 1 1.621 0.030 . 1 . . . . 28 LYS HD2 . 10092 1 259 . 1 1 28 28 LYS HD3 H 1 1.621 0.030 . 1 . . . . 28 LYS HD3 . 10092 1 260 . 1 1 28 28 LYS HE2 H 1 2.921 0.030 . 1 . . . . 28 LYS HE2 . 10092 1 261 . 1 1 28 28 LYS HE3 H 1 2.921 0.030 . 1 . . . . 28 LYS HE3 . 10092 1 262 . 1 1 28 28 LYS C C 13 179.360 0.300 . 1 . . . . 28 LYS C . 10092 1 263 . 1 1 28 28 LYS CA C 13 59.034 0.300 . 1 . . . . 28 LYS CA . 10092 1 264 . 1 1 28 28 LYS CB C 13 32.493 0.300 . 1 . . . . 28 LYS CB . 10092 1 265 . 1 1 28 28 LYS CG C 13 25.531 0.300 . 1 . . . . 28 LYS CG . 10092 1 266 . 1 1 28 28 LYS CD C 13 29.176 0.300 . 1 . . . . 28 LYS CD . 10092 1 267 . 1 1 28 28 LYS CE C 13 42.018 0.300 . 1 . . . . 28 LYS CE . 10092 1 268 . 1 1 28 28 LYS N N 15 119.347 0.300 . 1 . . . . 28 LYS N . 10092 1 269 . 1 1 29 29 LEU H H 1 8.527 0.030 . 1 . . . . 29 LEU H . 10092 1 270 . 1 1 29 29 LEU HA H 1 4.092 0.030 . 1 . . . . 29 LEU HA . 10092 1 271 . 1 1 29 29 LEU HB2 H 1 1.197 0.030 . 2 . . . . 29 LEU HB2 . 10092 1 272 . 1 1 29 29 LEU HB3 H 1 2.167 0.030 . 2 . . . . 29 LEU HB3 . 10092 1 273 . 1 1 29 29 LEU HG H 1 1.936 0.030 . 1 . . . . 29 LEU HG . 10092 1 274 . 1 1 29 29 LEU HD11 H 1 0.817 0.030 . 1 . . . . 29 LEU HD1 . 10092 1 275 . 1 1 29 29 LEU HD12 H 1 0.817 0.030 . 1 . . . . 29 LEU HD1 . 10092 1 276 . 1 1 29 29 LEU HD13 H 1 0.817 0.030 . 1 . . . . 29 LEU HD1 . 10092 1 277 . 1 1 29 29 LEU HD21 H 1 0.763 0.030 . 1 . . . . 29 LEU HD2 . 10092 1 278 . 1 1 29 29 LEU HD22 H 1 0.763 0.030 . 1 . . . . 29 LEU HD2 . 10092 1 279 . 1 1 29 29 LEU HD23 H 1 0.763 0.030 . 1 . . . . 29 LEU HD2 . 10092 1 280 . 1 1 29 29 LEU C C 13 179.714 0.300 . 1 . . . . 29 LEU C . 10092 1 281 . 1 1 29 29 LEU CA C 13 58.547 0.300 . 1 . . . . 29 LEU CA . 10092 1 282 . 1 1 29 29 LEU CB C 13 41.548 0.300 . 1 . . . . 29 LEU CB . 10092 1 283 . 1 1 29 29 LEU CG C 13 26.405 0.300 . 1 . . . . 29 LEU CG . 10092 1 284 . 1 1 29 29 LEU CD1 C 13 23.616 0.300 . 2 . . . . 29 LEU CD1 . 10092 1 285 . 1 1 29 29 LEU CD2 C 13 26.272 0.300 . 2 . . . . 29 LEU CD2 . 10092 1 286 . 1 1 29 29 LEU N N 15 117.610 0.300 . 1 . . . . 29 LEU N . 10092 1 287 . 1 1 30 30 SER H H 1 8.548 0.030 . 1 . . . . 30 SER H . 10092 1 288 . 1 1 30 30 SER HA H 1 3.886 0.030 . 1 . . . . 30 SER HA . 10092 1 289 . 1 1 30 30 SER HB2 H 1 4.109 0.030 . 2 . . . . 30 SER HB2 . 10092 1 290 . 1 1 30 30 SER HB3 H 1 3.929 0.030 . 2 . . . . 30 SER HB3 . 10092 1 291 . 1 1 30 30 SER C C 13 175.494 0.300 . 1 . . . . 30 SER C . 10092 1 292 . 1 1 30 30 SER CA C 13 63.147 0.300 . 1 . . . . 30 SER CA . 10092 1 293 . 1 1 30 30 SER CB C 13 62.573 0.300 . 1 . . . . 30 SER CB . 10092 1 294 . 1 1 30 30 SER N N 15 117.179 0.300 . 1 . . . . 30 SER N . 10092 1 295 . 1 1 31 31 ASP H H 1 7.834 0.030 . 1 . . . . 31 ASP H . 10092 1 296 . 1 1 31 31 ASP HA H 1 4.400 0.030 . 1 . . . . 31 ASP HA . 10092 1 297 . 1 1 31 31 ASP HB2 H 1 2.384 0.030 . 2 . . . . 31 ASP HB2 . 10092 1 298 . 1 1 31 31 ASP HB3 H 1 2.671 0.030 . 2 . . . . 31 ASP HB3 . 10092 1 299 . 1 1 31 31 ASP C C 13 178.320 0.300 . 1 . . . . 31 ASP C . 10092 1 300 . 1 1 31 31 ASP CA C 13 57.016 0.300 . 1 . . . . 31 ASP CA . 10092 1 301 . 1 1 31 31 ASP CB C 13 39.952 0.300 . 1 . . . . 31 ASP CB . 10092 1 302 . 1 1 31 31 ASP N N 15 121.170 0.300 . 1 . . . . 31 ASP N . 10092 1 303 . 1 1 32 32 PHE H H 1 7.559 0.030 . 1 . . . . 32 PHE H . 10092 1 304 . 1 1 32 32 PHE HA H 1 4.778 0.030 . 1 . . . . 32 PHE HA . 10092 1 305 . 1 1 32 32 PHE HB2 H 1 3.106 0.030 . 1 . . . . 32 PHE HB2 . 10092 1 306 . 1 1 32 32 PHE HB3 H 1 3.106 0.030 . 1 . . . . 32 PHE HB3 . 10092 1 307 . 1 1 32 32 PHE HD1 H 1 7.303 0.030 . 1 . . . . 32 PHE HD1 . 10092 1 308 . 1 1 32 32 PHE HD2 H 1 7.303 0.030 . 1 . . . . 32 PHE HD2 . 10092 1 309 . 1 1 32 32 PHE HE1 H 1 7.332 0.030 . 1 . . . . 32 PHE HE1 . 10092 1 310 . 1 1 32 32 PHE HE2 H 1 7.332 0.030 . 1 . . . . 32 PHE HE2 . 10092 1 311 . 1 1 32 32 PHE C C 13 177.994 0.300 . 1 . . . . 32 PHE C . 10092 1 312 . 1 1 32 32 PHE CA C 13 59.337 0.300 . 1 . . . . 32 PHE CA . 10092 1 313 . 1 1 32 32 PHE CB C 13 41.679 0.300 . 1 . . . . 32 PHE CB . 10092 1 314 . 1 1 32 32 PHE CD1 C 13 131.176 0.300 . 1 . . . . 32 PHE CD1 . 10092 1 315 . 1 1 32 32 PHE CD2 C 13 131.176 0.300 . 1 . . . . 32 PHE CD2 . 10092 1 316 . 1 1 32 32 PHE CE1 C 13 130.526 0.300 . 1 . . . . 32 PHE CE1 . 10092 1 317 . 1 1 32 32 PHE CE2 C 13 130.526 0.300 . 1 . . . . 32 PHE CE2 . 10092 1 318 . 1 1 32 32 PHE N N 15 113.317 0.300 . 1 . . . . 32 PHE N . 10092 1 319 . 1 1 33 33 ILE H H 1 8.404 0.030 . 1 . . . . 33 ILE H . 10092 1 320 . 1 1 33 33 ILE HA H 1 3.973 0.030 . 1 . . . . 33 ILE HA . 10092 1 321 . 1 1 33 33 ILE HB H 1 2.052 0.030 . 1 . . . . 33 ILE HB . 10092 1 322 . 1 1 33 33 ILE HG12 H 1 1.937 0.030 . 2 . . . . 33 ILE HG12 . 10092 1 323 . 1 1 33 33 ILE HG13 H 1 0.749 0.030 . 2 . . . . 33 ILE HG13 . 10092 1 324 . 1 1 33 33 ILE HG21 H 1 0.722 0.030 . 1 . . . . 33 ILE HG2 . 10092 1 325 . 1 1 33 33 ILE HG22 H 1 0.722 0.030 . 1 . . . . 33 ILE HG2 . 10092 1 326 . 1 1 33 33 ILE HG23 H 1 0.722 0.030 . 1 . . . . 33 ILE HG2 . 10092 1 327 . 1 1 33 33 ILE HD11 H 1 0.793 0.030 . 1 . . . . 33 ILE HD1 . 10092 1 328 . 1 1 33 33 ILE HD12 H 1 0.793 0.030 . 1 . . . . 33 ILE HD1 . 10092 1 329 . 1 1 33 33 ILE HD13 H 1 0.793 0.030 . 1 . . . . 33 ILE HD1 . 10092 1 330 . 1 1 33 33 ILE C C 13 173.581 0.300 . 1 . . . . 33 ILE C . 10092 1 331 . 1 1 33 33 ILE CA C 13 64.336 0.300 . 1 . . . . 33 ILE CA . 10092 1 332 . 1 1 33 33 ILE CB C 13 39.083 0.300 . 1 . . . . 33 ILE CB . 10092 1 333 . 1 1 33 33 ILE CG1 C 13 29.460 0.300 . 1 . . . . 33 ILE CG1 . 10092 1 334 . 1 1 33 33 ILE CG2 C 13 18.322 0.300 . 1 . . . . 33 ILE CG2 . 10092 1 335 . 1 1 33 33 ILE CD1 C 13 14.264 0.300 . 1 . . . . 33 ILE CD1 . 10092 1 336 . 1 1 33 33 ILE N N 15 121.018 0.300 . 1 . . . . 33 ILE N . 10092 1 337 . 1 1 34 34 ASP H H 1 8.826 0.030 . 1 . . . . 34 ASP H . 10092 1 338 . 1 1 34 34 ASP HA H 1 4.920 0.030 . 1 . . . . 34 ASP HA . 10092 1 339 . 1 1 34 34 ASP HB2 H 1 2.587 0.030 . 2 . . . . 34 ASP HB2 . 10092 1 340 . 1 1 34 34 ASP HB3 H 1 3.148 0.030 . 2 . . . . 34 ASP HB3 . 10092 1 341 . 1 1 34 34 ASP C C 13 175.119 0.300 . 1 . . . . 34 ASP C . 10092 1 342 . 1 1 34 34 ASP CA C 13 59.075 0.300 . 1 . . . . 34 ASP CA . 10092 1 343 . 1 1 34 34 ASP CB C 13 37.698 0.300 . 1 . . . . 34 ASP CB . 10092 1 344 . 1 1 34 34 ASP N N 15 119.744 0.300 . 1 . . . . 34 ASP N . 10092 1 345 . 1 1 35 35 PRO HA H 1 4.543 0.030 . 1 . . . . 35 PRO HA . 10092 1 346 . 1 1 35 35 PRO HB2 H 1 2.426 0.030 . 2 . . . . 35 PRO HB2 . 10092 1 347 . 1 1 35 35 PRO HB3 H 1 1.761 0.030 . 2 . . . . 35 PRO HB3 . 10092 1 348 . 1 1 35 35 PRO HG2 H 1 2.000 0.030 . 2 . . . . 35 PRO HG2 . 10092 1 349 . 1 1 35 35 PRO HG3 H 1 2.144 0.030 . 2 . . . . 35 PRO HG3 . 10092 1 350 . 1 1 35 35 PRO HD2 H 1 3.149 0.030 . 2 . . . . 35 PRO HD2 . 10092 1 351 . 1 1 35 35 PRO HD3 H 1 3.791 0.030 . 2 . . . . 35 PRO HD3 . 10092 1 352 . 1 1 35 35 PRO C C 13 177.522 0.300 . 1 . . . . 35 PRO C . 10092 1 353 . 1 1 35 35 PRO CA C 13 64.479 0.300 . 1 . . . . 35 PRO CA . 10092 1 354 . 1 1 35 35 PRO CB C 13 31.587 0.300 . 1 . . . . 35 PRO CB . 10092 1 355 . 1 1 35 35 PRO CG C 13 28.662 0.300 . 1 . . . . 35 PRO CG . 10092 1 356 . 1 1 35 35 PRO CD C 13 51.960 0.300 . 1 . . . . 35 PRO CD . 10092 1 357 . 1 1 36 36 GLN H H 1 9.270 0.030 . 1 . . . . 36 GLN H . 10092 1 358 . 1 1 36 36 GLN HA H 1 3.993 0.030 . 1 . . . . 36 GLN HA . 10092 1 359 . 1 1 36 36 GLN HB2 H 1 2.089 0.030 . 2 . . . . 36 GLN HB2 . 10092 1 360 . 1 1 36 36 GLN HB3 H 1 2.270 0.030 . 2 . . . . 36 GLN HB3 . 10092 1 361 . 1 1 36 36 GLN HG2 H 1 2.338 0.030 . 1 . . . . 36 GLN HG2 . 10092 1 362 . 1 1 36 36 GLN HG3 H 1 2.338 0.030 . 1 . . . . 36 GLN HG3 . 10092 1 363 . 1 1 36 36 GLN HE21 H 1 6.839 0.030 . 2 . . . . 36 GLN HE21 . 10092 1 364 . 1 1 36 36 GLN HE22 H 1 7.477 0.030 . 2 . . . . 36 GLN HE22 . 10092 1 365 . 1 1 36 36 GLN C C 13 175.321 0.300 . 1 . . . . 36 GLN C . 10092 1 366 . 1 1 36 36 GLN CA C 13 56.576 0.300 . 1 . . . . 36 GLN CA . 10092 1 367 . 1 1 36 36 GLN CB C 13 26.231 0.300 . 1 . . . . 36 GLN CB . 10092 1 368 . 1 1 36 36 GLN CG C 13 34.683 0.300 . 1 . . . . 36 GLN CG . 10092 1 369 . 1 1 36 36 GLN N N 15 117.189 0.300 . 1 . . . . 36 GLN N . 10092 1 370 . 1 1 36 36 GLN NE2 N 15 112.707 0.300 . 1 . . . . 36 GLN NE2 . 10092 1 371 . 1 1 37 37 GLU H H 1 8.807 0.030 . 1 . . . . 37 GLU H . 10092 1 372 . 1 1 37 37 GLU HA H 1 3.437 0.030 . 1 . . . . 37 GLU HA . 10092 1 373 . 1 1 37 37 GLU HB2 H 1 1.758 0.030 . 2 . . . . 37 GLU HB2 . 10092 1 374 . 1 1 37 37 GLU HB3 H 1 2.095 0.030 . 2 . . . . 37 GLU HB3 . 10092 1 375 . 1 1 37 37 GLU HG2 H 1 2.294 0.030 . 2 . . . . 37 GLU HG2 . 10092 1 376 . 1 1 37 37 GLU HG3 H 1 2.085 0.030 . 2 . . . . 37 GLU HG3 . 10092 1 377 . 1 1 37 37 GLU C C 13 177.802 0.300 . 1 . . . . 37 GLU C . 10092 1 378 . 1 1 37 37 GLU CA C 13 57.469 0.300 . 1 . . . . 37 GLU CA . 10092 1 379 . 1 1 37 37 GLU CB C 13 27.508 0.300 . 1 . . . . 37 GLU CB . 10092 1 380 . 1 1 37 37 GLU CG C 13 37.163 0.300 . 1 . . . . 37 GLU CG . 10092 1 381 . 1 1 37 37 GLU N N 15 110.009 0.300 . 1 . . . . 37 GLU N . 10092 1 382 . 1 1 38 38 GLY H H 1 8.295 0.030 . 1 . . . . 38 GLY H . 10092 1 383 . 1 1 38 38 GLY HA2 H 1 3.605 0.030 . 2 . . . . 38 GLY HA2 . 10092 1 384 . 1 1 38 38 GLY HA3 H 1 4.370 0.030 . 2 . . . . 38 GLY HA3 . 10092 1 385 . 1 1 38 38 GLY C C 13 176.506 0.300 . 1 . . . . 38 GLY C . 10092 1 386 . 1 1 38 38 GLY CA C 13 48.960 0.300 . 1 . . . . 38 GLY CA . 10092 1 387 . 1 1 38 38 GLY N N 15 112.377 0.300 . 1 . . . . 38 GLY N . 10092 1 388 . 1 1 39 39 TRP H H 1 7.194 0.030 . 1 . . . . 39 TRP H . 10092 1 389 . 1 1 39 39 TRP HA H 1 3.748 0.030 . 1 . . . . 39 TRP HA . 10092 1 390 . 1 1 39 39 TRP HB2 H 1 2.910 0.030 . 2 . . . . 39 TRP HB2 . 10092 1 391 . 1 1 39 39 TRP HB3 H 1 3.138 0.030 . 2 . . . . 39 TRP HB3 . 10092 1 392 . 1 1 39 39 TRP HD1 H 1 7.971 0.030 . 1 . . . . 39 TRP HD1 . 10092 1 393 . 1 1 39 39 TRP HE1 H 1 10.837 0.030 . 1 . . . . 39 TRP HE1 . 10092 1 394 . 1 1 39 39 TRP HE3 H 1 6.937 0.030 . 1 . . . . 39 TRP HE3 . 10092 1 395 . 1 1 39 39 TRP HZ2 H 1 7.509 0.030 . 1 . . . . 39 TRP HZ2 . 10092 1 396 . 1 1 39 39 TRP HH2 H 1 7.422 0.030 . 1 . . . . 39 TRP HH2 . 10092 1 397 . 1 1 39 39 TRP C C 13 176.107 0.300 . 1 . . . . 39 TRP C . 10092 1 398 . 1 1 39 39 TRP CA C 13 57.571 0.300 . 1 . . . . 39 TRP CA . 10092 1 399 . 1 1 39 39 TRP CB C 13 27.920 0.300 . 1 . . . . 39 TRP CB . 10092 1 400 . 1 1 39 39 TRP CD1 C 13 127.307 0.300 . 1 . . . . 39 TRP CD1 . 10092 1 401 . 1 1 39 39 TRP CE3 C 13 119.642 0.300 . 1 . . . . 39 TRP CE3 . 10092 1 402 . 1 1 39 39 TRP CZ2 C 13 114.245 0.300 . 1 . . . . 39 TRP CZ2 . 10092 1 403 . 1 1 39 39 TRP CZ3 C 13 122.056 0.300 . 1 . . . . 39 TRP CZ3 . 10092 1 404 . 1 1 39 39 TRP CH2 C 13 124.853 0.300 . 1 . . . . 39 TRP CH2 . 10092 1 405 . 1 1 39 39 TRP N N 15 117.897 0.300 . 1 . . . . 39 TRP N . 10092 1 406 . 1 1 39 39 TRP NE1 N 15 131.018 0.300 . 1 . . . . 39 TRP NE1 . 10092 1 407 . 1 1 40 40 LYS H H 1 6.032 0.030 . 1 . . . . 40 LYS H . 10092 1 408 . 1 1 40 40 LYS HA H 1 3.181 0.030 . 1 . . . . 40 LYS HA . 10092 1 409 . 1 1 40 40 LYS HB2 H 1 0.259 0.030 . 2 . . . . 40 LYS HB2 . 10092 1 410 . 1 1 40 40 LYS HB3 H 1 1.217 0.030 . 2 . . . . 40 LYS HB3 . 10092 1 411 . 1 1 40 40 LYS HG2 H 1 0.018 0.030 . 2 . . . . 40 LYS HG2 . 10092 1 412 . 1 1 40 40 LYS HG3 H 1 0.425 0.030 . 2 . . . . 40 LYS HG3 . 10092 1 413 . 1 1 40 40 LYS HD2 H 1 1.356 0.030 . 2 . . . . 40 LYS HD2 . 10092 1 414 . 1 1 40 40 LYS HD3 H 1 1.246 0.030 . 2 . . . . 40 LYS HD3 . 10092 1 415 . 1 1 40 40 LYS HE2 H 1 2.518 0.030 . 2 . . . . 40 LYS HE2 . 10092 1 416 . 1 1 40 40 LYS HE3 H 1 2.498 0.030 . 2 . . . . 40 LYS HE3 . 10092 1 417 . 1 1 40 40 LYS C C 13 177.752 0.300 . 1 . . . . 40 LYS C . 10092 1 418 . 1 1 40 40 LYS CA C 13 59.729 0.300 . 1 . . . . 40 LYS CA . 10092 1 419 . 1 1 40 40 LYS CB C 13 32.040 0.300 . 1 . . . . 40 LYS CB . 10092 1 420 . 1 1 40 40 LYS CG C 13 24.985 0.300 . 1 . . . . 40 LYS CG . 10092 1 421 . 1 1 40 40 LYS CD C 13 29.615 0.300 . 1 . . . . 40 LYS CD . 10092 1 422 . 1 1 40 40 LYS CE C 13 42.428 0.300 . 1 . . . . 40 LYS CE . 10092 1 423 . 1 1 40 40 LYS N N 15 124.388 0.300 . 1 . . . . 40 LYS N . 10092 1 424 . 1 1 41 41 LYS H H 1 7.028 0.030 . 1 . . . . 41 LYS H . 10092 1 425 . 1 1 41 41 LYS HA H 1 3.813 0.030 . 1 . . . . 41 LYS HA . 10092 1 426 . 1 1 41 41 LYS HB2 H 1 1.718 0.030 . 2 . . . . 41 LYS HB2 . 10092 1 427 . 1 1 41 41 LYS HB3 H 1 1.916 0.030 . 2 . . . . 41 LYS HB3 . 10092 1 428 . 1 1 41 41 LYS HG2 H 1 1.346 0.030 . 2 . . . . 41 LYS HG2 . 10092 1 429 . 1 1 41 41 LYS HG3 H 1 1.519 0.030 . 2 . . . . 41 LYS HG3 . 10092 1 430 . 1 1 41 41 LYS HD2 H 1 1.679 0.030 . 2 . . . . 41 LYS HD2 . 10092 1 431 . 1 1 41 41 LYS HD3 H 1 1.623 0.030 . 2 . . . . 41 LYS HD3 . 10092 1 432 . 1 1 41 41 LYS HE2 H 1 2.952 0.030 . 1 . . . . 41 LYS HE2 . 10092 1 433 . 1 1 41 41 LYS HE3 H 1 2.952 0.030 . 1 . . . . 41 LYS HE3 . 10092 1 434 . 1 1 41 41 LYS C C 13 178.864 0.300 . 1 . . . . 41 LYS C . 10092 1 435 . 1 1 41 41 LYS CA C 13 58.986 0.300 . 1 . . . . 41 LYS CA . 10092 1 436 . 1 1 41 41 LYS CB C 13 32.781 0.300 . 1 . . . . 41 LYS CB . 10092 1 437 . 1 1 41 41 LYS CG C 13 25.475 0.300 . 1 . . . . 41 LYS CG . 10092 1 438 . 1 1 41 41 LYS CD C 13 29.863 0.300 . 1 . . . . 41 LYS CD . 10092 1 439 . 1 1 41 41 LYS CE C 13 42.262 0.300 . 1 . . . . 41 LYS CE . 10092 1 440 . 1 1 41 41 LYS N N 15 118.036 0.300 . 1 . . . . 41 LYS N . 10092 1 441 . 1 1 42 42 LEU H H 1 7.332 0.030 . 1 . . . . 42 LEU H . 10092 1 442 . 1 1 42 42 LEU HA H 1 3.873 0.030 . 1 . . . . 42 LEU HA . 10092 1 443 . 1 1 42 42 LEU HB2 H 1 1.060 0.030 . 2 . . . . 42 LEU HB2 . 10092 1 444 . 1 1 42 42 LEU HB3 H 1 1.795 0.030 . 2 . . . . 42 LEU HB3 . 10092 1 445 . 1 1 42 42 LEU HG H 1 1.366 0.030 . 1 . . . . 42 LEU HG . 10092 1 446 . 1 1 42 42 LEU HD11 H 1 0.788 0.030 . 1 . . . . 42 LEU HD1 . 10092 1 447 . 1 1 42 42 LEU HD12 H 1 0.788 0.030 . 1 . . . . 42 LEU HD1 . 10092 1 448 . 1 1 42 42 LEU HD13 H 1 0.788 0.030 . 1 . . . . 42 LEU HD1 . 10092 1 449 . 1 1 42 42 LEU HD21 H 1 0.718 0.030 . 1 . . . . 42 LEU HD2 . 10092 1 450 . 1 1 42 42 LEU HD22 H 1 0.718 0.030 . 1 . . . . 42 LEU HD2 . 10092 1 451 . 1 1 42 42 LEU HD23 H 1 0.718 0.030 . 1 . . . . 42 LEU HD2 . 10092 1 452 . 1 1 42 42 LEU C C 13 176.591 0.300 . 1 . . . . 42 LEU C . 10092 1 453 . 1 1 42 42 LEU CA C 13 57.428 0.300 . 1 . . . . 42 LEU CA . 10092 1 454 . 1 1 42 42 LEU CB C 13 41.556 0.300 . 1 . . . . 42 LEU CB . 10092 1 455 . 1 1 42 42 LEU CG C 13 27.051 0.300 . 1 . . . . 42 LEU CG . 10092 1 456 . 1 1 42 42 LEU CD1 C 13 25.895 0.300 . 2 . . . . 42 LEU CD1 . 10092 1 457 . 1 1 42 42 LEU CD2 C 13 22.951 0.300 . 2 . . . . 42 LEU CD2 . 10092 1 458 . 1 1 42 42 LEU N N 15 118.079 0.300 . 1 . . . . 42 LEU N . 10092 1 459 . 1 1 43 43 ALA H H 1 8.305 0.030 . 1 . . . . 43 ALA H . 10092 1 460 . 1 1 43 43 ALA HA H 1 3.799 0.030 . 1 . . . . 43 ALA HA . 10092 1 461 . 1 1 43 43 ALA HB1 H 1 1.342 0.030 . 1 . . . . 43 ALA HB . 10092 1 462 . 1 1 43 43 ALA HB2 H 1 1.342 0.030 . 1 . . . . 43 ALA HB . 10092 1 463 . 1 1 43 43 ALA HB3 H 1 1.342 0.030 . 1 . . . . 43 ALA HB . 10092 1 464 . 1 1 43 43 ALA C C 13 179.892 0.300 . 1 . . . . 43 ALA C . 10092 1 465 . 1 1 43 43 ALA CA C 13 55.625 0.300 . 1 . . . . 43 ALA CA . 10092 1 466 . 1 1 43 43 ALA CB C 13 18.074 0.300 . 1 . . . . 43 ALA CB . 10092 1 467 . 1 1 43 43 ALA N N 15 118.119 0.300 . 1 . . . . 43 ALA N . 10092 1 468 . 1 1 44 44 VAL H H 1 7.545 0.030 . 1 . . . . 44 VAL H . 10092 1 469 . 1 1 44 44 VAL HA H 1 4.049 0.030 . 1 . . . . 44 VAL HA . 10092 1 470 . 1 1 44 44 VAL HB H 1 2.132 0.030 . 1 . . . . 44 VAL HB . 10092 1 471 . 1 1 44 44 VAL HG11 H 1 0.970 0.030 . 1 . . . . 44 VAL HG1 . 10092 1 472 . 1 1 44 44 VAL HG12 H 1 0.970 0.030 . 1 . . . . 44 VAL HG1 . 10092 1 473 . 1 1 44 44 VAL HG13 H 1 0.970 0.030 . 1 . . . . 44 VAL HG1 . 10092 1 474 . 1 1 44 44 VAL HG21 H 1 0.936 0.030 . 1 . . . . 44 VAL HG2 . 10092 1 475 . 1 1 44 44 VAL HG22 H 1 0.936 0.030 . 1 . . . . 44 VAL HG2 . 10092 1 476 . 1 1 44 44 VAL HG23 H 1 0.936 0.030 . 1 . . . . 44 VAL HG2 . 10092 1 477 . 1 1 44 44 VAL C C 13 175.611 0.300 . 1 . . . . 44 VAL C . 10092 1 478 . 1 1 44 44 VAL CA C 13 63.913 0.300 . 1 . . . . 44 VAL CA . 10092 1 479 . 1 1 44 44 VAL CB C 13 31.586 0.300 . 1 . . . . 44 VAL CB . 10092 1 480 . 1 1 44 44 VAL CG1 C 13 20.827 0.300 . 2 . . . . 44 VAL CG1 . 10092 1 481 . 1 1 44 44 VAL CG2 C 13 21.100 0.300 . 2 . . . . 44 VAL CG2 . 10092 1 482 . 1 1 44 44 VAL N N 15 110.049 0.300 . 1 . . . . 44 VAL N . 10092 1 483 . 1 1 45 45 ALA H H 1 7.282 0.030 . 1 . . . . 45 ALA H . 10092 1 484 . 1 1 45 45 ALA HA H 1 4.161 0.030 . 1 . . . . 45 ALA HA . 10092 1 485 . 1 1 45 45 ALA HB1 H 1 1.433 0.030 . 1 . . . . 45 ALA HB . 10092 1 486 . 1 1 45 45 ALA HB2 H 1 1.433 0.030 . 1 . . . . 45 ALA HB . 10092 1 487 . 1 1 45 45 ALA HB3 H 1 1.433 0.030 . 1 . . . . 45 ALA HB . 10092 1 488 . 1 1 45 45 ALA C C 13 177.317 0.300 . 1 . . . . 45 ALA C . 10092 1 489 . 1 1 45 45 ALA CA C 13 52.711 0.300 . 1 . . . . 45 ALA CA . 10092 1 490 . 1 1 45 45 ALA CB C 13 19.516 0.300 . 1 . . . . 45 ALA CB . 10092 1 491 . 1 1 45 45 ALA N N 15 120.928 0.300 . 1 . . . . 45 ALA N . 10092 1 492 . 1 1 46 46 ILE H H 1 6.905 0.030 . 1 . . . . 46 ILE H . 10092 1 493 . 1 1 46 46 ILE HA H 1 3.468 0.030 . 1 . . . . 46 ILE HA . 10092 1 494 . 1 1 46 46 ILE HB H 1 1.454 0.030 . 1 . . . . 46 ILE HB . 10092 1 495 . 1 1 46 46 ILE HG12 H 1 -0.529 0.030 . 2 . . . . 46 ILE HG12 . 10092 1 496 . 1 1 46 46 ILE HG13 H 1 1.560 0.030 . 2 . . . . 46 ILE HG13 . 10092 1 497 . 1 1 46 46 ILE HG21 H 1 0.043 0.030 . 1 . . . . 46 ILE HG2 . 10092 1 498 . 1 1 46 46 ILE HG22 H 1 0.043 0.030 . 1 . . . . 46 ILE HG2 . 10092 1 499 . 1 1 46 46 ILE HG23 H 1 0.043 0.030 . 1 . . . . 46 ILE HG2 . 10092 1 500 . 1 1 46 46 ILE HD11 H 1 0.035 0.030 . 1 . . . . 46 ILE HD1 . 10092 1 501 . 1 1 46 46 ILE HD12 H 1 0.035 0.030 . 1 . . . . 46 ILE HD1 . 10092 1 502 . 1 1 46 46 ILE HD13 H 1 0.035 0.030 . 1 . . . . 46 ILE HD1 . 10092 1 503 . 1 1 46 46 ILE C C 13 174.814 0.300 . 1 . . . . 46 ILE C . 10092 1 504 . 1 1 46 46 ILE CA C 13 63.117 0.300 . 1 . . . . 46 ILE CA . 10092 1 505 . 1 1 46 46 ILE CB C 13 38.222 0.300 . 1 . . . . 46 ILE CB . 10092 1 506 . 1 1 46 46 ILE CG1 C 13 27.707 0.300 . 1 . . . . 46 ILE CG1 . 10092 1 507 . 1 1 46 46 ILE CG2 C 13 18.206 0.300 . 1 . . . . 46 ILE CG2 . 10092 1 508 . 1 1 46 46 ILE CD1 C 13 14.682 0.300 . 1 . . . . 46 ILE CD1 . 10092 1 509 . 1 1 46 46 ILE N N 15 117.815 0.300 . 1 . . . . 46 ILE N . 10092 1 510 . 1 1 47 47 LYS H H 1 8.658 0.030 . 1 . . . . 47 LYS H . 10092 1 511 . 1 1 47 47 LYS HA H 1 4.882 0.030 . 1 . . . . 47 LYS HA . 10092 1 512 . 1 1 47 47 LYS HB2 H 1 1.792 0.030 . 2 . . . . 47 LYS HB2 . 10092 1 513 . 1 1 47 47 LYS HB3 H 1 1.737 0.030 . 2 . . . . 47 LYS HB3 . 10092 1 514 . 1 1 47 47 LYS HG2 H 1 1.467 0.030 . 2 . . . . 47 LYS HG2 . 10092 1 515 . 1 1 47 47 LYS HG3 H 1 1.412 0.030 . 2 . . . . 47 LYS HG3 . 10092 1 516 . 1 1 47 47 LYS HD2 H 1 1.470 0.030 . 2 . . . . 47 LYS HD2 . 10092 1 517 . 1 1 47 47 LYS HD3 H 1 1.405 0.030 . 2 . . . . 47 LYS HD3 . 10092 1 518 . 1 1 47 47 LYS HE2 H 1 2.842 0.030 . 2 . . . . 47 LYS HE2 . 10092 1 519 . 1 1 47 47 LYS HE3 H 1 2.980 0.030 . 2 . . . . 47 LYS HE3 . 10092 1 520 . 1 1 47 47 LYS C C 13 178.501 0.300 . 1 . . . . 47 LYS C . 10092 1 521 . 1 1 47 47 LYS CA C 13 52.990 0.300 . 1 . . . . 47 LYS CA . 10092 1 522 . 1 1 47 47 LYS CB C 13 33.975 0.300 . 1 . . . . 47 LYS CB . 10092 1 523 . 1 1 47 47 LYS CG C 13 24.412 0.300 . 1 . . . . 47 LYS CG . 10092 1 524 . 1 1 47 47 LYS CD C 13 27.866 0.300 . 1 . . . . 47 LYS CD . 10092 1 525 . 1 1 47 47 LYS CE C 13 42.608 0.300 . 1 . . . . 47 LYS CE . 10092 1 526 . 1 1 47 47 LYS N N 15 108.259 0.300 . 1 . . . . 47 LYS N . 10092 1 527 . 1 1 48 48 LYS H H 1 8.966 0.030 . 1 . . . . 48 LYS H . 10092 1 528 . 1 1 48 48 LYS HA H 1 4.620 0.030 . 1 . . . . 48 LYS HA . 10092 1 529 . 1 1 48 48 LYS HB2 H 1 1.598 0.030 . 2 . . . . 48 LYS HB2 . 10092 1 530 . 1 1 48 48 LYS HB3 H 1 2.096 0.030 . 2 . . . . 48 LYS HB3 . 10092 1 531 . 1 1 48 48 LYS HG2 H 1 1.170 0.030 . 2 . . . . 48 LYS HG2 . 10092 1 532 . 1 1 48 48 LYS HG3 H 1 1.416 0.030 . 2 . . . . 48 LYS HG3 . 10092 1 533 . 1 1 48 48 LYS HD2 H 1 1.651 0.030 . 1 . . . . 48 LYS HD2 . 10092 1 534 . 1 1 48 48 LYS HD3 H 1 1.651 0.030 . 1 . . . . 48 LYS HD3 . 10092 1 535 . 1 1 48 48 LYS HE2 H 1 2.972 0.030 . 2 . . . . 48 LYS HE2 . 10092 1 536 . 1 1 48 48 LYS HE3 H 1 2.906 0.030 . 2 . . . . 48 LYS HE3 . 10092 1 537 . 1 1 48 48 LYS C C 13 176.989 0.300 . 1 . . . . 48 LYS C . 10092 1 538 . 1 1 48 48 LYS CA C 13 55.955 0.300 . 1 . . . . 48 LYS CA . 10092 1 539 . 1 1 48 48 LYS CB C 13 31.916 0.300 . 1 . . . . 48 LYS CB . 10092 1 540 . 1 1 48 48 LYS CG C 13 25.731 0.300 . 1 . . . . 48 LYS CG . 10092 1 541 . 1 1 48 48 LYS CD C 13 29.856 0.300 . 1 . . . . 48 LYS CD . 10092 1 542 . 1 1 48 48 LYS CE C 13 42.077 0.300 . 1 . . . . 48 LYS CE . 10092 1 543 . 1 1 48 48 LYS N N 15 120.707 0.300 . 1 . . . . 48 LYS N . 10092 1 544 . 1 1 49 49 PRO HA H 1 4.371 0.030 . 1 . . . . 49 PRO HA . 10092 1 545 . 1 1 49 49 PRO HB2 H 1 1.978 0.030 . 2 . . . . 49 PRO HB2 . 10092 1 546 . 1 1 49 49 PRO HB3 H 1 2.452 0.030 . 2 . . . . 49 PRO HB3 . 10092 1 547 . 1 1 49 49 PRO HG2 H 1 2.229 0.030 . 2 . . . . 49 PRO HG2 . 10092 1 548 . 1 1 49 49 PRO HG3 H 1 2.153 0.030 . 2 . . . . 49 PRO HG3 . 10092 1 549 . 1 1 49 49 PRO HD2 H 1 3.917 0.030 . 2 . . . . 49 PRO HD2 . 10092 1 550 . 1 1 49 49 PRO HD3 H 1 3.902 0.030 . 2 . . . . 49 PRO HD3 . 10092 1 551 . 1 1 49 49 PRO CA C 13 65.719 0.300 . 1 . . . . 49 PRO CA . 10092 1 552 . 1 1 49 49 PRO CB C 13 31.452 0.300 . 1 . . . . 49 PRO CB . 10092 1 553 . 1 1 49 49 PRO CG C 13 27.866 0.300 . 1 . . . . 49 PRO CG . 10092 1 554 . 1 1 49 49 PRO CD C 13 50.498 0.300 . 1 . . . . 49 PRO CD . 10092 1 555 . 1 1 50 50 SER H H 1 7.739 0.030 . 1 . . . . 50 SER H . 10092 1 556 . 1 1 50 50 SER HA H 1 4.281 0.030 . 1 . . . . 50 SER HA . 10092 1 557 . 1 1 50 50 SER HB2 H 1 4.096 0.030 . 2 . . . . 50 SER HB2 . 10092 1 558 . 1 1 50 50 SER HB3 H 1 3.897 0.030 . 2 . . . . 50 SER HB3 . 10092 1 559 . 1 1 50 50 SER C C 13 175.594 0.300 . 1 . . . . 50 SER C . 10092 1 560 . 1 1 50 50 SER CA C 13 58.679 0.300 . 1 . . . . 50 SER CA . 10092 1 561 . 1 1 50 50 SER CB C 13 63.726 0.300 . 1 . . . . 50 SER CB . 10092 1 562 . 1 1 51 51 GLY H H 1 8.410 0.030 . 1 . . . . 51 GLY H . 10092 1 563 . 1 1 51 51 GLY HA2 H 1 3.563 0.030 . 2 . . . . 51 GLY HA2 . 10092 1 564 . 1 1 51 51 GLY HA3 H 1 4.535 0.030 . 2 . . . . 51 GLY HA3 . 10092 1 565 . 1 1 51 51 GLY C C 13 173.689 0.300 . 1 . . . . 51 GLY C . 10092 1 566 . 1 1 51 51 GLY CA C 13 44.898 0.300 . 1 . . . . 51 GLY CA . 10092 1 567 . 1 1 51 51 GLY N N 15 110.980 0.300 . 1 . . . . 51 GLY N . 10092 1 568 . 1 1 52 52 ASP H H 1 7.701 0.030 . 1 . . . . 52 ASP H . 10092 1 569 . 1 1 52 52 ASP HA H 1 4.604 0.030 . 1 . . . . 52 ASP HA . 10092 1 570 . 1 1 52 52 ASP HB2 H 1 2.251 0.030 . 2 . . . . 52 ASP HB2 . 10092 1 571 . 1 1 52 52 ASP HB3 H 1 2.730 0.030 . 2 . . . . 52 ASP HB3 . 10092 1 572 . 1 1 52 52 ASP C C 13 174.753 0.300 . 1 . . . . 52 ASP C . 10092 1 573 . 1 1 52 52 ASP CA C 13 53.443 0.300 . 1 . . . . 52 ASP CA . 10092 1 574 . 1 1 52 52 ASP CB C 13 41.721 0.300 . 1 . . . . 52 ASP CB . 10092 1 575 . 1 1 52 52 ASP N N 15 119.100 0.300 . 1 . . . . 52 ASP N . 10092 1 576 . 1 1 53 53 ASP H H 1 8.678 0.030 . 1 . . . . 53 ASP H . 10092 1 577 . 1 1 53 53 ASP HA H 1 4.327 0.030 . 1 . . . . 53 ASP HA . 10092 1 578 . 1 1 53 53 ASP HB2 H 1 2.369 0.030 . 2 . . . . 53 ASP HB2 . 10092 1 579 . 1 1 53 53 ASP HB3 H 1 3.106 0.030 . 2 . . . . 53 ASP HB3 . 10092 1 580 . 1 1 53 53 ASP C C 13 176.409 0.300 . 1 . . . . 53 ASP C . 10092 1 581 . 1 1 53 53 ASP CA C 13 55.979 0.300 . 1 . . . . 53 ASP CA . 10092 1 582 . 1 1 53 53 ASP CB C 13 39.565 0.300 . 1 . . . . 53 ASP CB . 10092 1 583 . 1 1 53 53 ASP N N 15 122.576 0.300 . 1 . . . . 53 ASP N . 10092 1 584 . 1 1 54 54 ARG H H 1 8.084 0.030 . 1 . . . . 54 ARG H . 10092 1 585 . 1 1 54 54 ARG HA H 1 3.632 0.030 . 1 . . . . 54 ARG HA . 10092 1 586 . 1 1 54 54 ARG HB2 H 1 0.942 0.030 . 2 . . . . 54 ARG HB2 . 10092 1 587 . 1 1 54 54 ARG HB3 H 1 0.997 0.030 . 2 . . . . 54 ARG HB3 . 10092 1 588 . 1 1 54 54 ARG HG2 H 1 -0.198 0.030 . 2 . . . . 54 ARG HG2 . 10092 1 589 . 1 1 54 54 ARG HG3 H 1 1.155 0.030 . 2 . . . . 54 ARG HG3 . 10092 1 590 . 1 1 54 54 ARG HD2 H 1 2.683 0.030 . 2 . . . . 54 ARG HD2 . 10092 1 591 . 1 1 54 54 ARG HD3 H 1 3.096 0.030 . 2 . . . . 54 ARG HD3 . 10092 1 592 . 1 1 54 54 ARG C C 13 175.322 0.300 . 1 . . . . 54 ARG C . 10092 1 593 . 1 1 54 54 ARG CA C 13 59.282 0.300 . 1 . . . . 54 ARG CA . 10092 1 594 . 1 1 54 54 ARG CB C 13 30.655 0.300 . 1 . . . . 54 ARG CB . 10092 1 595 . 1 1 54 54 ARG CG C 13 27.796 0.300 . 1 . . . . 54 ARG CG . 10092 1 596 . 1 1 54 54 ARG CD C 13 43.804 0.300 . 1 . . . . 54 ARG CD . 10092 1 597 . 1 1 54 54 ARG N N 15 123.030 0.300 . 1 . . . . 54 ARG N . 10092 1 598 . 1 1 55 55 TYR H H 1 9.470 0.030 . 1 . . . . 55 TYR H . 10092 1 599 . 1 1 55 55 TYR HA H 1 4.985 0.030 . 1 . . . . 55 TYR HA . 10092 1 600 . 1 1 55 55 TYR HB2 H 1 2.770 0.030 . 2 . . . . 55 TYR HB2 . 10092 1 601 . 1 1 55 55 TYR HB3 H 1 2.932 0.030 . 2 . . . . 55 TYR HB3 . 10092 1 602 . 1 1 55 55 TYR HD1 H 1 7.028 0.030 . 1 . . . . 55 TYR HD1 . 10092 1 603 . 1 1 55 55 TYR HD2 H 1 7.028 0.030 . 1 . . . . 55 TYR HD2 . 10092 1 604 . 1 1 55 55 TYR HE1 H 1 6.625 0.030 . 1 . . . . 55 TYR HE1 . 10092 1 605 . 1 1 55 55 TYR HE2 H 1 6.625 0.030 . 1 . . . . 55 TYR HE2 . 10092 1 606 . 1 1 55 55 TYR C C 13 174.592 0.300 . 1 . . . . 55 TYR C . 10092 1 607 . 1 1 55 55 TYR CA C 13 56.519 0.300 . 1 . . . . 55 TYR CA . 10092 1 608 . 1 1 55 55 TYR CB C 13 39.158 0.300 . 1 . . . . 55 TYR CB . 10092 1 609 . 1 1 55 55 TYR CD1 C 13 133.244 0.300 . 1 . . . . 55 TYR CD1 . 10092 1 610 . 1 1 55 55 TYR CD2 C 13 133.244 0.300 . 1 . . . . 55 TYR CD2 . 10092 1 611 . 1 1 55 55 TYR CE1 C 13 117.729 0.300 . 1 . . . . 55 TYR CE1 . 10092 1 612 . 1 1 55 55 TYR CE2 C 13 117.729 0.300 . 1 . . . . 55 TYR CE2 . 10092 1 613 . 1 1 55 55 TYR N N 15 119.026 0.300 . 1 . . . . 55 TYR N . 10092 1 614 . 1 1 56 56 ASN H H 1 10.423 0.030 . 1 . . . . 56 ASN H . 10092 1 615 . 1 1 56 56 ASN HA H 1 4.993 0.030 . 1 . . . . 56 ASN HA . 10092 1 616 . 1 1 56 56 ASN HB2 H 1 2.988 0.030 . 2 . . . . 56 ASN HB2 . 10092 1 617 . 1 1 56 56 ASN HB3 H 1 3.405 0.030 . 2 . . . . 56 ASN HB3 . 10092 1 618 . 1 1 56 56 ASN HD21 H 1 7.718 0.030 . 2 . . . . 56 ASN HD21 . 10092 1 619 . 1 1 56 56 ASN HD22 H 1 6.948 0.030 . 2 . . . . 56 ASN HD22 . 10092 1 620 . 1 1 56 56 ASN C C 13 176.143 0.300 . 1 . . . . 56 ASN C . 10092 1 621 . 1 1 56 56 ASN CA C 13 51.050 0.300 . 1 . . . . 56 ASN CA . 10092 1 622 . 1 1 56 56 ASN CB C 13 40.001 0.300 . 1 . . . . 56 ASN CB . 10092 1 623 . 1 1 56 56 ASN N N 15 123.446 0.300 . 1 . . . . 56 ASN N . 10092 1 624 . 1 1 56 56 ASN ND2 N 15 112.585 0.300 . 1 . . . . 56 ASN ND2 . 10092 1 625 . 1 1 57 57 GLN H H 1 8.644 0.030 . 1 . . . . 57 GLN H . 10092 1 626 . 1 1 57 57 GLN HA H 1 4.021 0.030 . 1 . . . . 57 GLN HA . 10092 1 627 . 1 1 57 57 GLN HB2 H 1 2.026 0.030 . 2 . . . . 57 GLN HB2 . 10092 1 628 . 1 1 57 57 GLN HB3 H 1 2.179 0.030 . 2 . . . . 57 GLN HB3 . 10092 1 629 . 1 1 57 57 GLN HG2 H 1 2.270 0.030 . 2 . . . . 57 GLN HG2 . 10092 1 630 . 1 1 57 57 GLN HG3 H 1 2.168 0.030 . 2 . . . . 57 GLN HG3 . 10092 1 631 . 1 1 57 57 GLN HE21 H 1 7.622 0.030 . 2 . . . . 57 GLN HE21 . 10092 1 632 . 1 1 57 57 GLN HE22 H 1 6.946 0.030 . 2 . . . . 57 GLN HE22 . 10092 1 633 . 1 1 57 57 GLN C C 13 177.837 0.300 . 1 . . . . 57 GLN C . 10092 1 634 . 1 1 57 57 GLN CA C 13 59.386 0.300 . 1 . . . . 57 GLN CA . 10092 1 635 . 1 1 57 57 GLN CB C 13 28.128 0.300 . 1 . . . . 57 GLN CB . 10092 1 636 . 1 1 57 57 GLN CG C 13 33.444 0.300 . 1 . . . . 57 GLN CG . 10092 1 637 . 1 1 57 57 GLN N N 15 116.209 0.300 . 1 . . . . 57 GLN N . 10092 1 638 . 1 1 57 57 GLN NE2 N 15 113.329 0.300 . 1 . . . . 57 GLN NE2 . 10092 1 639 . 1 1 58 58 PHE H H 1 8.205 0.030 . 1 . . . . 58 PHE H . 10092 1 640 . 1 1 58 58 PHE HA H 1 4.146 0.030 . 1 . . . . 58 PHE HA . 10092 1 641 . 1 1 58 58 PHE HB2 H 1 3.012 0.030 . 2 . . . . 58 PHE HB2 . 10092 1 642 . 1 1 58 58 PHE HB3 H 1 3.106 0.030 . 2 . . . . 58 PHE HB3 . 10092 1 643 . 1 1 58 58 PHE HD1 H 1 6.959 0.030 . 1 . . . . 58 PHE HD1 . 10092 1 644 . 1 1 58 58 PHE HD2 H 1 6.959 0.030 . 1 . . . . 58 PHE HD2 . 10092 1 645 . 1 1 58 58 PHE HE1 H 1 7.273 0.030 . 1 . . . . 58 PHE HE1 . 10092 1 646 . 1 1 58 58 PHE HE2 H 1 7.273 0.030 . 1 . . . . 58 PHE HE2 . 10092 1 647 . 1 1 58 58 PHE C C 13 178.519 0.300 . 1 . . . . 58 PHE C . 10092 1 648 . 1 1 58 58 PHE CA C 13 61.113 0.300 . 1 . . . . 58 PHE CA . 10092 1 649 . 1 1 58 58 PHE CB C 13 37.971 0.300 . 1 . . . . 58 PHE CB . 10092 1 650 . 1 1 58 58 PHE CD1 C 13 131.734 0.300 . 1 . . . . 58 PHE CD1 . 10092 1 651 . 1 1 58 58 PHE CD2 C 13 131.734 0.300 . 1 . . . . 58 PHE CD2 . 10092 1 652 . 1 1 58 58 PHE CE1 C 13 131.363 0.300 . 1 . . . . 58 PHE CE1 . 10092 1 653 . 1 1 58 58 PHE CE2 C 13 131.363 0.300 . 1 . . . . 58 PHE CE2 . 10092 1 654 . 1 1 58 58 PHE N N 15 119.846 0.300 . 1 . . . . 58 PHE N . 10092 1 655 . 1 1 59 59 HIS H H 1 7.795 0.030 . 1 . . . . 59 HIS H . 10092 1 656 . 1 1 59 59 HIS HA H 1 4.007 0.030 . 1 . . . . 59 HIS HA . 10092 1 657 . 1 1 59 59 HIS HB2 H 1 3.510 0.030 . 2 . . . . 59 HIS HB2 . 10092 1 658 . 1 1 59 59 HIS HB3 H 1 3.082 0.030 . 2 . . . . 59 HIS HB3 . 10092 1 659 . 1 1 59 59 HIS HD2 H 1 7.197 0.030 . 1 . . . . 59 HIS HD2 . 10092 1 660 . 1 1 59 59 HIS HE1 H 1 7.838 0.030 . 1 . . . . 59 HIS HE1 . 10092 1 661 . 1 1 59 59 HIS C C 13 178.042 0.300 . 1 . . . . 59 HIS C . 10092 1 662 . 1 1 59 59 HIS CA C 13 60.456 0.300 . 1 . . . . 59 HIS CA . 10092 1 663 . 1 1 59 59 HIS CB C 13 31.916 0.300 . 1 . . . . 59 HIS CB . 10092 1 664 . 1 1 59 59 HIS CD2 C 13 117.122 0.300 . 1 . . . . 59 HIS CD2 . 10092 1 665 . 1 1 59 59 HIS CE1 C 13 104.667 0.300 . 1 . . . . 59 HIS CE1 . 10092 1 666 . 1 1 59 59 HIS N N 15 120.262 0.300 . 1 . . . . 59 HIS N . 10092 1 667 . 1 1 60 60 ILE H H 1 8.370 0.030 . 1 . . . . 60 ILE H . 10092 1 668 . 1 1 60 60 ILE HA H 1 3.961 0.030 . 1 . . . . 60 ILE HA . 10092 1 669 . 1 1 60 60 ILE HB H 1 2.107 0.030 . 1 . . . . 60 ILE HB . 10092 1 670 . 1 1 60 60 ILE HG12 H 1 1.671 0.030 . 2 . . . . 60 ILE HG12 . 10092 1 671 . 1 1 60 60 ILE HG13 H 1 1.403 0.030 . 2 . . . . 60 ILE HG13 . 10092 1 672 . 1 1 60 60 ILE HG21 H 1 1.085 0.030 . 1 . . . . 60 ILE HG2 . 10092 1 673 . 1 1 60 60 ILE HG22 H 1 1.085 0.030 . 1 . . . . 60 ILE HG2 . 10092 1 674 . 1 1 60 60 ILE HG23 H 1 1.085 0.030 . 1 . . . . 60 ILE HG2 . 10092 1 675 . 1 1 60 60 ILE HD11 H 1 0.790 0.030 . 1 . . . . 60 ILE HD1 . 10092 1 676 . 1 1 60 60 ILE HD12 H 1 0.790 0.030 . 1 . . . . 60 ILE HD1 . 10092 1 677 . 1 1 60 60 ILE HD13 H 1 0.790 0.030 . 1 . . . . 60 ILE HD1 . 10092 1 678 . 1 1 60 60 ILE C C 13 177.979 0.300 . 1 . . . . 60 ILE C . 10092 1 679 . 1 1 60 60 ILE CA C 13 65.208 0.300 . 1 . . . . 60 ILE CA . 10092 1 680 . 1 1 60 60 ILE CB C 13 36.765 0.300 . 1 . . . . 60 ILE CB . 10092 1 681 . 1 1 60 60 ILE CG1 C 13 29.140 0.300 . 1 . . . . 60 ILE CG1 . 10092 1 682 . 1 1 60 60 ILE CG2 C 13 17.744 0.300 . 1 . . . . 60 ILE CG2 . 10092 1 683 . 1 1 60 60 ILE CD1 C 13 11.547 0.300 . 1 . . . . 60 ILE CD1 . 10092 1 684 . 1 1 60 60 ILE N N 15 118.693 0.300 . 1 . . . . 60 ILE N . 10092 1 685 . 1 1 61 61 ARG H H 1 8.140 0.030 . 1 . . . . 61 ARG H . 10092 1 686 . 1 1 61 61 ARG HA H 1 4.262 0.030 . 1 . . . . 61 ARG HA . 10092 1 687 . 1 1 61 61 ARG HB2 H 1 1.871 0.030 . 2 . . . . 61 ARG HB2 . 10092 1 688 . 1 1 61 61 ARG HB3 H 1 1.942 0.030 . 2 . . . . 61 ARG HB3 . 10092 1 689 . 1 1 61 61 ARG HG2 H 1 1.858 0.030 . 2 . . . . 61 ARG HG2 . 10092 1 690 . 1 1 61 61 ARG HG3 H 1 1.741 0.030 . 2 . . . . 61 ARG HG3 . 10092 1 691 . 1 1 61 61 ARG HD2 H 1 3.227 0.030 . 2 . . . . 61 ARG HD2 . 10092 1 692 . 1 1 61 61 ARG HD3 H 1 3.188 0.030 . 2 . . . . 61 ARG HD3 . 10092 1 693 . 1 1 61 61 ARG C C 13 179.397 0.300 . 1 . . . . 61 ARG C . 10092 1 694 . 1 1 61 61 ARG CA C 13 59.309 0.300 . 1 . . . . 61 ARG CA . 10092 1 695 . 1 1 61 61 ARG CB C 13 30.022 0.300 . 1 . . . . 61 ARG CB . 10092 1 696 . 1 1 61 61 ARG CG C 13 27.734 0.300 . 1 . . . . 61 ARG CG . 10092 1 697 . 1 1 61 61 ARG CD C 13 43.671 0.300 . 1 . . . . 61 ARG CD . 10092 1 698 . 1 1 61 61 ARG N N 15 118.807 0.300 . 1 . . . . 61 ARG N . 10092 1 699 . 1 1 62 62 ARG H H 1 7.496 0.030 . 1 . . . . 62 ARG H . 10092 1 700 . 1 1 62 62 ARG HA H 1 4.007 0.030 . 1 . . . . 62 ARG HA . 10092 1 701 . 1 1 62 62 ARG HB2 H 1 1.601 0.030 . 2 . . . . 62 ARG HB2 . 10092 1 702 . 1 1 62 62 ARG HB3 H 1 1.720 0.030 . 2 . . . . 62 ARG HB3 . 10092 1 703 . 1 1 62 62 ARG HG2 H 1 1.280 0.030 . 2 . . . . 62 ARG HG2 . 10092 1 704 . 1 1 62 62 ARG HG3 H 1 1.511 0.030 . 2 . . . . 62 ARG HG3 . 10092 1 705 . 1 1 62 62 ARG HD2 H 1 2.943 0.030 . 2 . . . . 62 ARG HD2 . 10092 1 706 . 1 1 62 62 ARG HD3 H 1 3.044 0.030 . 2 . . . . 62 ARG HD3 . 10092 1 707 . 1 1 62 62 ARG HE H 1 7.239 0.030 . 1 . . . . 62 ARG HE . 10092 1 708 . 1 1 62 62 ARG C C 13 179.271 0.300 . 1 . . . . 62 ARG C . 10092 1 709 . 1 1 62 62 ARG CA C 13 59.396 0.300 . 1 . . . . 62 ARG CA . 10092 1 710 . 1 1 62 62 ARG CB C 13 29.194 0.300 . 1 . . . . 62 ARG CB . 10092 1 711 . 1 1 62 62 ARG CG C 13 27.468 0.300 . 1 . . . . 62 ARG CG . 10092 1 712 . 1 1 62 62 ARG CD C 13 43.405 0.300 . 1 . . . . 62 ARG CD . 10092 1 713 . 1 1 62 62 ARG N N 15 121.164 0.300 . 1 . . . . 62 ARG N . 10092 1 714 . 1 1 63 63 PHE H H 1 8.188 0.030 . 1 . . . . 63 PHE H . 10092 1 715 . 1 1 63 63 PHE HA H 1 4.271 0.030 . 1 . . . . 63 PHE HA . 10092 1 716 . 1 1 63 63 PHE HB2 H 1 2.320 0.030 . 2 . . . . 63 PHE HB2 . 10092 1 717 . 1 1 63 63 PHE HB3 H 1 3.198 0.030 . 2 . . . . 63 PHE HB3 . 10092 1 718 . 1 1 63 63 PHE HD1 H 1 6.967 0.030 . 1 . . . . 63 PHE HD1 . 10092 1 719 . 1 1 63 63 PHE HD2 H 1 6.967 0.030 . 1 . . . . 63 PHE HD2 . 10092 1 720 . 1 1 63 63 PHE HE1 H 1 6.752 0.030 . 1 . . . . 63 PHE HE1 . 10092 1 721 . 1 1 63 63 PHE HE2 H 1 6.752 0.030 . 1 . . . . 63 PHE HE2 . 10092 1 722 . 1 1 63 63 PHE HZ H 1 6.835 0.030 . 1 . . . . 63 PHE HZ . 10092 1 723 . 1 1 63 63 PHE C C 13 177.897 0.300 . 1 . . . . 63 PHE C . 10092 1 724 . 1 1 63 63 PHE CA C 13 59.531 0.300 . 1 . . . . 63 PHE CA . 10092 1 725 . 1 1 63 63 PHE CB C 13 39.001 0.300 . 1 . . . . 63 PHE CB . 10092 1 726 . 1 1 63 63 PHE CD1 C 13 130.395 0.300 . 1 . . . . 63 PHE CD1 . 10092 1 727 . 1 1 63 63 PHE CD2 C 13 130.395 0.300 . 1 . . . . 63 PHE CD2 . 10092 1 728 . 1 1 63 63 PHE CE1 C 13 130.579 0.300 . 1 . . . . 63 PHE CE1 . 10092 1 729 . 1 1 63 63 PHE CE2 C 13 130.579 0.300 . 1 . . . . 63 PHE CE2 . 10092 1 730 . 1 1 63 63 PHE CZ C 13 129.181 0.300 . 1 . . . . 63 PHE CZ . 10092 1 731 . 1 1 63 63 PHE N N 15 119.176 0.300 . 1 . . . . 63 PHE N . 10092 1 732 . 1 1 64 64 GLU H H 1 8.557 0.030 . 1 . . . . 64 GLU H . 10092 1 733 . 1 1 64 64 GLU HA H 1 3.827 0.030 . 1 . . . . 64 GLU HA . 10092 1 734 . 1 1 64 64 GLU HB2 H 1 2.547 0.030 . 2 . . . . 64 GLU HB2 . 10092 1 735 . 1 1 64 64 GLU HB3 H 1 2.275 0.030 . 2 . . . . 64 GLU HB3 . 10092 1 736 . 1 1 64 64 GLU HG2 H 1 2.737 0.030 . 2 . . . . 64 GLU HG2 . 10092 1 737 . 1 1 64 64 GLU HG3 H 1 2.499 0.030 . 2 . . . . 64 GLU HG3 . 10092 1 738 . 1 1 64 64 GLU C C 13 179.094 0.300 . 1 . . . . 64 GLU C . 10092 1 739 . 1 1 64 64 GLU CA C 13 59.780 0.300 . 1 . . . . 64 GLU CA . 10092 1 740 . 1 1 64 64 GLU CB C 13 30.227 0.300 . 1 . . . . 64 GLU CB . 10092 1 741 . 1 1 64 64 GLU CG C 13 37.385 0.300 . 1 . . . . 64 GLU CG . 10092 1 742 . 1 1 64 64 GLU N N 15 119.593 0.300 . 1 . . . . 64 GLU N . 10092 1 743 . 1 1 65 65 ALA H H 1 7.834 0.030 . 1 . . . . 65 ALA H . 10092 1 744 . 1 1 65 65 ALA HA H 1 4.216 0.030 . 1 . . . . 65 ALA HA . 10092 1 745 . 1 1 65 65 ALA HB1 H 1 1.508 0.030 . 1 . . . . 65 ALA HB . 10092 1 746 . 1 1 65 65 ALA HB2 H 1 1.508 0.030 . 1 . . . . 65 ALA HB . 10092 1 747 . 1 1 65 65 ALA HB3 H 1 1.508 0.030 . 1 . . . . 65 ALA HB . 10092 1 748 . 1 1 65 65 ALA C C 13 180.485 0.300 . 1 . . . . 65 ALA C . 10092 1 749 . 1 1 65 65 ALA CA C 13 54.461 0.300 . 1 . . . . 65 ALA CA . 10092 1 750 . 1 1 65 65 ALA CB C 13 17.786 0.300 . 1 . . . . 65 ALA CB . 10092 1 751 . 1 1 65 65 ALA N N 15 121.564 0.300 . 1 . . . . 65 ALA N . 10092 1 752 . 1 1 66 66 LEU H H 1 7.735 0.030 . 1 . . . . 66 LEU H . 10092 1 753 . 1 1 66 66 LEU HA H 1 4.010 0.030 . 1 . . . . 66 LEU HA . 10092 1 754 . 1 1 66 66 LEU HB2 H 1 1.814 0.030 . 2 . . . . 66 LEU HB2 . 10092 1 755 . 1 1 66 66 LEU HB3 H 1 1.147 0.030 . 2 . . . . 66 LEU HB3 . 10092 1 756 . 1 1 66 66 LEU HG H 1 1.875 0.030 . 1 . . . . 66 LEU HG . 10092 1 757 . 1 1 66 66 LEU HD11 H 1 0.828 0.030 . 1 . . . . 66 LEU HD1 . 10092 1 758 . 1 1 66 66 LEU HD12 H 1 0.828 0.030 . 1 . . . . 66 LEU HD1 . 10092 1 759 . 1 1 66 66 LEU HD13 H 1 0.828 0.030 . 1 . . . . 66 LEU HD1 . 10092 1 760 . 1 1 66 66 LEU HD21 H 1 0.753 0.030 . 1 . . . . 66 LEU HD2 . 10092 1 761 . 1 1 66 66 LEU HD22 H 1 0.753 0.030 . 1 . . . . 66 LEU HD2 . 10092 1 762 . 1 1 66 66 LEU HD23 H 1 0.753 0.030 . 1 . . . . 66 LEU HD2 . 10092 1 763 . 1 1 66 66 LEU C C 13 179.808 0.300 . 1 . . . . 66 LEU C . 10092 1 764 . 1 1 66 66 LEU CA C 13 57.381 0.300 . 1 . . . . 66 LEU CA . 10092 1 765 . 1 1 66 66 LEU CB C 13 41.062 0.300 . 1 . . . . 66 LEU CB . 10092 1 766 . 1 1 66 66 LEU CG C 13 26.473 0.300 . 1 . . . . 66 LEU CG . 10092 1 767 . 1 1 66 66 LEU CD1 C 13 26.404 0.300 . 2 . . . . 66 LEU CD1 . 10092 1 768 . 1 1 66 66 LEU CD2 C 13 22.818 0.300 . 2 . . . . 66 LEU CD2 . 10092 1 769 . 1 1 66 66 LEU N N 15 118.822 0.300 . 1 . . . . 66 LEU N . 10092 1 770 . 1 1 67 67 LEU H H 1 7.720 0.030 . 1 . . . . 67 LEU H . 10092 1 771 . 1 1 67 67 LEU HA H 1 4.424 0.030 . 1 . . . . 67 LEU HA . 10092 1 772 . 1 1 67 67 LEU HB2 H 1 1.540 0.030 . 2 . . . . 67 LEU HB2 . 10092 1 773 . 1 1 67 67 LEU HB3 H 1 1.924 0.030 . 2 . . . . 67 LEU HB3 . 10092 1 774 . 1 1 67 67 LEU HG H 1 1.639 0.030 . 1 . . . . 67 LEU HG . 10092 1 775 . 1 1 67 67 LEU HD11 H 1 1.036 0.030 . 1 . . . . 67 LEU HD1 . 10092 1 776 . 1 1 67 67 LEU HD12 H 1 1.036 0.030 . 1 . . . . 67 LEU HD1 . 10092 1 777 . 1 1 67 67 LEU HD13 H 1 1.036 0.030 . 1 . . . . 67 LEU HD1 . 10092 1 778 . 1 1 67 67 LEU HD21 H 1 1.036 0.030 . 1 . . . . 67 LEU HD2 . 10092 1 779 . 1 1 67 67 LEU HD22 H 1 1.036 0.030 . 1 . . . . 67 LEU HD2 . 10092 1 780 . 1 1 67 67 LEU HD23 H 1 1.036 0.030 . 1 . . . . 67 LEU HD2 . 10092 1 781 . 1 1 67 67 LEU C C 13 180.618 0.300 . 1 . . . . 67 LEU C . 10092 1 782 . 1 1 67 67 LEU CA C 13 57.786 0.300 . 1 . . . . 67 LEU CA . 10092 1 783 . 1 1 67 67 LEU CB C 13 41.762 0.300 . 1 . . . . 67 LEU CB . 10092 1 784 . 1 1 67 67 LEU CG C 13 27.202 0.300 . 1 . . . . 67 LEU CG . 10092 1 785 . 1 1 67 67 LEU CD1 C 13 24.545 0.300 . 2 . . . . 67 LEU CD1 . 10092 1 786 . 1 1 67 67 LEU CD2 C 13 25.210 0.300 . 2 . . . . 67 LEU CD2 . 10092 1 787 . 1 1 67 67 LEU N N 15 121.417 0.300 . 1 . . . . 67 LEU N . 10092 1 788 . 1 1 68 68 GLN H H 1 7.836 0.030 . 1 . . . . 68 GLN H . 10092 1 789 . 1 1 68 68 GLN HA H 1 4.188 0.030 . 1 . . . . 68 GLN HA . 10092 1 790 . 1 1 68 68 GLN HB2 H 1 2.227 0.030 . 2 . . . . 68 GLN HB2 . 10092 1 791 . 1 1 68 68 GLN HB3 H 1 2.302 0.030 . 2 . . . . 68 GLN HB3 . 10092 1 792 . 1 1 68 68 GLN HG2 H 1 2.310 0.030 . 2 . . . . 68 GLN HG2 . 10092 1 793 . 1 1 68 68 GLN HG3 H 1 2.553 0.030 . 2 . . . . 68 GLN HG3 . 10092 1 794 . 1 1 68 68 GLN HE21 H 1 7.584 0.030 . 2 . . . . 68 GLN HE21 . 10092 1 795 . 1 1 68 68 GLN HE22 H 1 6.892 0.030 . 2 . . . . 68 GLN HE22 . 10092 1 796 . 1 1 68 68 GLN C C 13 177.208 0.300 . 1 . . . . 68 GLN C . 10092 1 797 . 1 1 68 68 GLN CA C 13 57.867 0.300 . 1 . . . . 68 GLN CA . 10092 1 798 . 1 1 68 68 GLN CB C 13 28.415 0.300 . 1 . . . . 68 GLN CB . 10092 1 799 . 1 1 68 68 GLN CG C 13 34.056 0.300 . 1 . . . . 68 GLN CG . 10092 1 800 . 1 1 68 68 GLN N N 15 117.264 0.300 . 1 . . . . 68 GLN N . 10092 1 801 . 1 1 68 68 GLN NE2 N 15 112.042 0.300 . 1 . . . . 68 GLN NE2 . 10092 1 802 . 1 1 69 69 THR H H 1 7.568 0.030 . 1 . . . . 69 THR H . 10092 1 803 . 1 1 69 69 THR HA H 1 4.604 0.030 . 1 . . . . 69 THR HA . 10092 1 804 . 1 1 69 69 THR HB H 1 4.499 0.030 . 1 . . . . 69 THR HB . 10092 1 805 . 1 1 69 69 THR HG21 H 1 1.260 0.030 . 1 . . . . 69 THR HG2 . 10092 1 806 . 1 1 69 69 THR HG22 H 1 1.260 0.030 . 1 . . . . 69 THR HG2 . 10092 1 807 . 1 1 69 69 THR HG23 H 1 1.260 0.030 . 1 . . . . 69 THR HG2 . 10092 1 808 . 1 1 69 69 THR C C 13 174.946 0.300 . 1 . . . . 69 THR C . 10092 1 809 . 1 1 69 69 THR CA C 13 61.130 0.300 . 1 . . . . 69 THR CA . 10092 1 810 . 1 1 69 69 THR CB C 13 69.651 0.300 . 1 . . . . 69 THR CB . 10092 1 811 . 1 1 69 69 THR CG2 C 13 21.679 0.300 . 1 . . . . 69 THR CG2 . 10092 1 812 . 1 1 69 69 THR N N 15 107.689 0.300 . 1 . . . . 69 THR N . 10092 1 813 . 1 1 70 70 GLY H H 1 7.818 0.030 . 1 . . . . 70 GLY H . 10092 1 814 . 1 1 70 70 GLY HA2 H 1 3.799 0.030 . 2 . . . . 70 GLY HA2 . 10092 1 815 . 1 1 70 70 GLY HA3 H 1 4.237 0.030 . 2 . . . . 70 GLY HA3 . 10092 1 816 . 1 1 70 70 GLY C C 13 174.439 0.300 . 1 . . . . 70 GLY C . 10092 1 817 . 1 1 70 70 GLY CA C 13 45.693 0.300 . 1 . . . . 70 GLY CA . 10092 1 818 . 1 1 70 70 GLY N N 15 108.791 0.300 . 1 . . . . 70 GLY N . 10092 1 819 . 1 1 71 71 LYS H H 1 7.511 0.030 . 1 . . . . 71 LYS H . 10092 1 820 . 1 1 71 71 LYS HA H 1 4.447 0.030 . 1 . . . . 71 LYS HA . 10092 1 821 . 1 1 71 71 LYS HB2 H 1 1.735 0.030 . 2 . . . . 71 LYS HB2 . 10092 1 822 . 1 1 71 71 LYS HB3 H 1 1.405 0.030 . 2 . . . . 71 LYS HB3 . 10092 1 823 . 1 1 71 71 LYS HG2 H 1 1.326 0.030 . 1 . . . . 71 LYS HG2 . 10092 1 824 . 1 1 71 71 LYS HG3 H 1 1.326 0.030 . 1 . . . . 71 LYS HG3 . 10092 1 825 . 1 1 71 71 LYS HD2 H 1 1.574 0.030 . 1 . . . . 71 LYS HD2 . 10092 1 826 . 1 1 71 71 LYS HD3 H 1 1.574 0.030 . 1 . . . . 71 LYS HD3 . 10092 1 827 . 1 1 71 71 LYS HE2 H 1 2.917 0.030 . 1 . . . . 71 LYS HE2 . 10092 1 828 . 1 1 71 71 LYS HE3 H 1 2.917 0.030 . 1 . . . . 71 LYS HE3 . 10092 1 829 . 1 1 71 71 LYS C C 13 174.970 0.300 . 1 . . . . 71 LYS C . 10092 1 830 . 1 1 71 71 LYS CA C 13 54.584 0.300 . 1 . . . . 71 LYS CA . 10092 1 831 . 1 1 71 71 LYS CB C 13 34.100 0.300 . 1 . . . . 71 LYS CB . 10092 1 832 . 1 1 71 71 LYS CG C 13 25.316 0.300 . 1 . . . . 71 LYS CG . 10092 1 833 . 1 1 71 71 LYS CD C 13 28.796 0.300 . 1 . . . . 71 LYS CD . 10092 1 834 . 1 1 71 71 LYS CE C 13 42.428 0.300 . 1 . . . . 71 LYS CE . 10092 1 835 . 1 1 71 71 LYS N N 15 119.890 0.300 . 1 . . . . 71 LYS N . 10092 1 836 . 1 1 72 72 SER H H 1 8.404 0.030 . 1 . . . . 72 SER H . 10092 1 837 . 1 1 72 72 SER HA H 1 4.872 0.030 . 1 . . . . 72 SER HA . 10092 1 838 . 1 1 72 72 SER HB2 H 1 3.631 0.030 . 2 . . . . 72 SER HB2 . 10092 1 839 . 1 1 72 72 SER HB3 H 1 3.948 0.030 . 2 . . . . 72 SER HB3 . 10092 1 840 . 1 1 72 72 SER C C 13 174.925 0.300 . 1 . . . . 72 SER C . 10092 1 841 . 1 1 72 72 SER CA C 13 53.893 0.300 . 1 . . . . 72 SER CA . 10092 1 842 . 1 1 72 72 SER CB C 13 63.457 0.300 . 1 . . . . 72 SER CB . 10092 1 843 . 1 1 72 72 SER N N 15 114.367 0.300 . 1 . . . . 72 SER N . 10092 1 844 . 1 1 73 73 PRO HA H 1 3.650 0.030 . 1 . . . . 73 PRO HA . 10092 1 845 . 1 1 73 73 PRO HB2 H 1 0.438 0.030 . 2 . . . . 73 PRO HB2 . 10092 1 846 . 1 1 73 73 PRO HB3 H 1 0.778 0.030 . 2 . . . . 73 PRO HB3 . 10092 1 847 . 1 1 73 73 PRO HG2 H 1 1.109 0.030 . 2 . . . . 73 PRO HG2 . 10092 1 848 . 1 1 73 73 PRO HG3 H 1 1.150 0.030 . 2 . . . . 73 PRO HG3 . 10092 1 849 . 1 1 73 73 PRO HD2 H 1 3.713 0.030 . 2 . . . . 73 PRO HD2 . 10092 1 850 . 1 1 73 73 PRO HD3 H 1 3.639 0.030 . 2 . . . . 73 PRO HD3 . 10092 1 851 . 1 1 73 73 PRO C C 13 177.305 0.300 . 1 . . . . 73 PRO C . 10092 1 852 . 1 1 73 73 PRO CA C 13 64.799 0.300 . 1 . . . . 73 PRO CA . 10092 1 853 . 1 1 73 73 PRO CB C 13 30.921 0.300 . 1 . . . . 73 PRO CB . 10092 1 854 . 1 1 73 73 PRO CG C 13 27.052 0.300 . 1 . . . . 73 PRO CG . 10092 1 855 . 1 1 73 73 PRO CD C 13 51.051 0.300 . 1 . . . . 73 PRO CD . 10092 1 856 . 1 1 74 74 THR H H 1 8.795 0.030 . 1 . . . . 74 THR H . 10092 1 857 . 1 1 74 74 THR HA H 1 3.362 0.030 . 1 . . . . 74 THR HA . 10092 1 858 . 1 1 74 74 THR HB H 1 3.711 0.030 . 1 . . . . 74 THR HB . 10092 1 859 . 1 1 74 74 THR HG21 H 1 0.843 0.030 . 1 . . . . 74 THR HG2 . 10092 1 860 . 1 1 74 74 THR HG22 H 1 0.843 0.030 . 1 . . . . 74 THR HG2 . 10092 1 861 . 1 1 74 74 THR HG23 H 1 0.843 0.030 . 1 . . . . 74 THR HG2 . 10092 1 862 . 1 1 74 74 THR C C 13 175.986 0.300 . 1 . . . . 74 THR C . 10092 1 863 . 1 1 74 74 THR CA C 13 69.361 0.300 . 1 . . . . 74 THR CA . 10092 1 864 . 1 1 74 74 THR CB C 13 67.886 0.300 . 1 . . . . 74 THR CB . 10092 1 865 . 1 1 74 74 THR CG2 C 13 21.018 0.300 . 1 . . . . 74 THR CG2 . 10092 1 866 . 1 1 74 74 THR N N 15 115.369 0.300 . 1 . . . . 74 THR N . 10092 1 867 . 1 1 75 75 CYS H H 1 7.476 0.030 . 1 . . . . 75 CYS H . 10092 1 868 . 1 1 75 75 CYS HA H 1 3.679 0.030 . 1 . . . . 75 CYS HA . 10092 1 869 . 1 1 75 75 CYS HB2 H 1 2.770 0.030 . 2 . . . . 75 CYS HB2 . 10092 1 870 . 1 1 75 75 CYS HB3 H 1 2.818 0.030 . 2 . . . . 75 CYS HB3 . 10092 1 871 . 1 1 75 75 CYS C C 13 176.168 0.300 . 1 . . . . 75 CYS C . 10092 1 872 . 1 1 75 75 CYS CA C 13 63.992 0.300 . 1 . . . . 75 CYS CA . 10092 1 873 . 1 1 75 75 CYS CB C 13 26.560 0.300 . 1 . . . . 75 CYS CB . 10092 1 874 . 1 1 75 75 CYS N N 15 118.590 0.300 . 1 . . . . 75 CYS N . 10092 1 875 . 1 1 76 76 GLU H H 1 7.607 0.030 . 1 . . . . 76 GLU H . 10092 1 876 . 1 1 76 76 GLU HA H 1 4.029 0.030 . 1 . . . . 76 GLU HA . 10092 1 877 . 1 1 76 76 GLU HB2 H 1 1.748 0.030 . 2 . . . . 76 GLU HB2 . 10092 1 878 . 1 1 76 76 GLU HB3 H 1 2.053 0.030 . 2 . . . . 76 GLU HB3 . 10092 1 879 . 1 1 76 76 GLU HG2 H 1 2.353 0.030 . 2 . . . . 76 GLU HG2 . 10092 1 880 . 1 1 76 76 GLU HG3 H 1 2.244 0.030 . 2 . . . . 76 GLU HG3 . 10092 1 881 . 1 1 76 76 GLU C C 13 179.010 0.300 . 1 . . . . 76 GLU C . 10092 1 882 . 1 1 76 76 GLU CA C 13 58.945 0.300 . 1 . . . . 76 GLU CA . 10092 1 883 . 1 1 76 76 GLU CB C 13 28.902 0.300 . 1 . . . . 76 GLU CB . 10092 1 884 . 1 1 76 76 GLU CG C 13 35.968 0.300 . 1 . . . . 76 GLU CG . 10092 1 885 . 1 1 76 76 GLU N N 15 117.965 0.300 . 1 . . . . 76 GLU N . 10092 1 886 . 1 1 77 77 LEU H H 1 8.528 0.030 . 1 . . . . 77 LEU H . 10092 1 887 . 1 1 77 77 LEU HA H 1 3.674 0.030 . 1 . . . . 77 LEU HA . 10092 1 888 . 1 1 77 77 LEU HB2 H 1 0.802 0.030 . 2 . . . . 77 LEU HB2 . 10092 1 889 . 1 1 77 77 LEU HB3 H 1 1.521 0.030 . 2 . . . . 77 LEU HB3 . 10092 1 890 . 1 1 77 77 LEU HG H 1 1.182 0.030 . 1 . . . . 77 LEU HG . 10092 1 891 . 1 1 77 77 LEU HD11 H 1 0.348 0.030 . 1 . . . . 77 LEU HD1 . 10092 1 892 . 1 1 77 77 LEU HD12 H 1 0.348 0.030 . 1 . . . . 77 LEU HD1 . 10092 1 893 . 1 1 77 77 LEU HD13 H 1 0.348 0.030 . 1 . . . . 77 LEU HD1 . 10092 1 894 . 1 1 77 77 LEU HD21 H 1 0.579 0.030 . 1 . . . . 77 LEU HD2 . 10092 1 895 . 1 1 77 77 LEU HD22 H 1 0.579 0.030 . 1 . . . . 77 LEU HD2 . 10092 1 896 . 1 1 77 77 LEU HD23 H 1 0.579 0.030 . 1 . . . . 77 LEU HD2 . 10092 1 897 . 1 1 77 77 LEU C C 13 178.199 0.300 . 1 . . . . 77 LEU C . 10092 1 898 . 1 1 77 77 LEU CA C 13 58.560 0.300 . 1 . . . . 77 LEU CA . 10092 1 899 . 1 1 77 77 LEU CB C 13 41.984 0.300 . 1 . . . . 77 LEU CB . 10092 1 900 . 1 1 77 77 LEU CG C 13 26.804 0.300 . 1 . . . . 77 LEU CG . 10092 1 901 . 1 1 77 77 LEU CD1 C 13 24.943 0.300 . 2 . . . . 77 LEU CD1 . 10092 1 902 . 1 1 77 77 LEU CD2 C 13 26.006 0.300 . 2 . . . . 77 LEU CD2 . 10092 1 903 . 1 1 77 77 LEU N N 15 122.864 0.300 . 1 . . . . 77 LEU N . 10092 1 904 . 1 1 78 78 LEU H H 1 8.433 0.030 . 1 . . . . 78 LEU H . 10092 1 905 . 1 1 78 78 LEU HA H 1 4.188 0.030 . 1 . . . . 78 LEU HA . 10092 1 906 . 1 1 78 78 LEU HB2 H 1 1.189 0.030 . 2 . . . . 78 LEU HB2 . 10092 1 907 . 1 1 78 78 LEU HB3 H 1 1.828 0.030 . 2 . . . . 78 LEU HB3 . 10092 1 908 . 1 1 78 78 LEU HG H 1 2.063 0.030 . 1 . . . . 78 LEU HG . 10092 1 909 . 1 1 78 78 LEU HD11 H 1 0.712 0.030 . 1 . . . . 78 LEU HD1 . 10092 1 910 . 1 1 78 78 LEU HD12 H 1 0.712 0.030 . 1 . . . . 78 LEU HD1 . 10092 1 911 . 1 1 78 78 LEU HD13 H 1 0.712 0.030 . 1 . . . . 78 LEU HD1 . 10092 1 912 . 1 1 78 78 LEU HD21 H 1 0.978 0.030 . 1 . . . . 78 LEU HD2 . 10092 1 913 . 1 1 78 78 LEU HD22 H 1 0.978 0.030 . 1 . . . . 78 LEU HD2 . 10092 1 914 . 1 1 78 78 LEU HD23 H 1 0.978 0.030 . 1 . . . . 78 LEU HD2 . 10092 1 915 . 1 1 78 78 LEU C C 13 180.640 0.300 . 1 . . . . 78 LEU C . 10092 1 916 . 1 1 78 78 LEU CA C 13 58.405 0.300 . 1 . . . . 78 LEU CA . 10092 1 917 . 1 1 78 78 LEU CB C 13 40.361 0.300 . 1 . . . . 78 LEU CB . 10092 1 918 . 1 1 78 78 LEU CG C 13 26.936 0.300 . 1 . . . . 78 LEU CG . 10092 1 919 . 1 1 78 78 LEU CD1 C 13 26.670 0.300 . 2 . . . . 78 LEU CD1 . 10092 1 920 . 1 1 78 78 LEU CD2 C 13 22.951 0.300 . 2 . . . . 78 LEU CD2 . 10092 1 921 . 1 1 78 78 LEU N N 15 117.720 0.300 . 1 . . . . 78 LEU N . 10092 1 922 . 1 1 79 79 PHE H H 1 8.502 0.030 . 1 . . . . 79 PHE H . 10092 1 923 . 1 1 79 79 PHE HA H 1 4.452 0.030 . 1 . . . . 79 PHE HA . 10092 1 924 . 1 1 79 79 PHE HB2 H 1 3.229 0.030 . 2 . . . . 79 PHE HB2 . 10092 1 925 . 1 1 79 79 PHE HB3 H 1 3.310 0.030 . 2 . . . . 79 PHE HB3 . 10092 1 926 . 1 1 79 79 PHE HD1 H 1 7.259 0.030 . 1 . . . . 79 PHE HD1 . 10092 1 927 . 1 1 79 79 PHE HD2 H 1 7.259 0.030 . 1 . . . . 79 PHE HD2 . 10092 1 928 . 1 1 79 79 PHE HE1 H 1 7.312 0.030 . 1 . . . . 79 PHE HE1 . 10092 1 929 . 1 1 79 79 PHE HE2 H 1 7.312 0.030 . 1 . . . . 79 PHE HE2 . 10092 1 930 . 1 1 79 79 PHE C C 13 178.312 0.300 . 1 . . . . 79 PHE C . 10092 1 931 . 1 1 79 79 PHE CA C 13 59.917 0.300 . 1 . . . . 79 PHE CA . 10092 1 932 . 1 1 79 79 PHE CB C 13 38.242 0.300 . 1 . . . . 79 PHE CB . 10092 1 933 . 1 1 79 79 PHE CD1 C 13 131.331 0.300 . 1 . . . . 79 PHE CD1 . 10092 1 934 . 1 1 79 79 PHE CD2 C 13 131.331 0.300 . 1 . . . . 79 PHE CD2 . 10092 1 935 . 1 1 79 79 PHE CE1 C 13 131.317 0.300 . 1 . . . . 79 PHE CE1 . 10092 1 936 . 1 1 79 79 PHE CE2 C 13 131.317 0.300 . 1 . . . . 79 PHE CE2 . 10092 1 937 . 1 1 79 79 PHE N N 15 120.836 0.300 . 1 . . . . 79 PHE N . 10092 1 938 . 1 1 80 80 ASP H H 1 8.070 0.030 . 1 . . . . 80 ASP H . 10092 1 939 . 1 1 80 80 ASP HA H 1 4.452 0.030 . 1 . . . . 80 ASP HA . 10092 1 940 . 1 1 80 80 ASP HB2 H 1 3.129 0.030 . 2 . . . . 80 ASP HB2 . 10092 1 941 . 1 1 80 80 ASP HB3 H 1 3.049 0.030 . 2 . . . . 80 ASP HB3 . 10092 1 942 . 1 1 80 80 ASP C C 13 178.393 0.300 . 1 . . . . 80 ASP C . 10092 1 943 . 1 1 80 80 ASP CA C 13 58.166 0.300 . 1 . . . . 80 ASP CA . 10092 1 944 . 1 1 80 80 ASP CB C 13 43.417 0.300 . 1 . . . . 80 ASP CB . 10092 1 945 . 1 1 80 80 ASP N N 15 119.154 0.300 . 1 . . . . 80 ASP N . 10092 1 946 . 1 1 81 81 TRP H H 1 9.775 0.030 . 1 . . . . 81 TRP H . 10092 1 947 . 1 1 81 81 TRP HA H 1 4.573 0.030 . 1 . . . . 81 TRP HA . 10092 1 948 . 1 1 81 81 TRP HB2 H 1 3.274 0.030 . 2 . . . . 81 TRP HB2 . 10092 1 949 . 1 1 81 81 TRP HB3 H 1 3.762 0.030 . 2 . . . . 81 TRP HB3 . 10092 1 950 . 1 1 81 81 TRP HD1 H 1 7.047 0.030 . 1 . . . . 81 TRP HD1 . 10092 1 951 . 1 1 81 81 TRP HE1 H 1 10.249 0.030 . 1 . . . . 81 TRP HE1 . 10092 1 952 . 1 1 81 81 TRP HE3 H 1 7.223 0.030 . 1 . . . . 81 TRP HE3 . 10092 1 953 . 1 1 81 81 TRP HZ2 H 1 7.543 0.030 . 1 . . . . 81 TRP HZ2 . 10092 1 954 . 1 1 81 81 TRP HH2 H 1 6.793 0.030 . 1 . . . . 81 TRP HH2 . 10092 1 955 . 1 1 81 81 TRP C C 13 179.094 0.300 . 1 . . . . 81 TRP C . 10092 1 956 . 1 1 81 81 TRP CA C 13 58.542 0.300 . 1 . . . . 81 TRP CA . 10092 1 957 . 1 1 81 81 TRP CB C 13 28.744 0.300 . 1 . . . . 81 TRP CB . 10092 1 958 . 1 1 81 81 TRP CD1 C 13 124.484 0.300 . 1 . . . . 81 TRP CD1 . 10092 1 959 . 1 1 81 81 TRP CE3 C 13 119.760 0.300 . 1 . . . . 81 TRP CE3 . 10092 1 960 . 1 1 81 81 TRP CZ2 C 13 114.747 0.300 . 1 . . . . 81 TRP CZ2 . 10092 1 961 . 1 1 81 81 TRP CZ3 C 13 120.684 0.300 . 1 . . . . 81 TRP CZ3 . 10092 1 962 . 1 1 81 81 TRP CH2 C 13 123.851 0.300 . 1 . . . . 81 TRP CH2 . 10092 1 963 . 1 1 81 81 TRP N N 15 122.380 0.300 . 1 . . . . 81 TRP N . 10092 1 964 . 1 1 81 81 TRP NE1 N 15 130.311 0.300 . 1 . . . . 81 TRP NE1 . 10092 1 965 . 1 1 82 82 GLY H H 1 8.680 0.030 . 1 . . . . 82 GLY H . 10092 1 966 . 1 1 82 82 GLY HA2 H 1 3.887 0.030 . 1 . . . . 82 GLY HA2 . 10092 1 967 . 1 1 82 82 GLY HA3 H 1 3.887 0.030 . 1 . . . . 82 GLY HA3 . 10092 1 968 . 1 1 82 82 GLY C C 13 175.665 0.300 . 1 . . . . 82 GLY C . 10092 1 969 . 1 1 82 82 GLY CA C 13 46.598 0.300 . 1 . . . . 82 GLY CA . 10092 1 970 . 1 1 82 82 GLY N N 15 106.085 0.300 . 1 . . . . 82 GLY N . 10092 1 971 . 1 1 83 83 THR H H 1 7.434 0.030 . 1 . . . . 83 THR H . 10092 1 972 . 1 1 83 83 THR HA H 1 4.172 0.030 . 1 . . . . 83 THR HA . 10092 1 973 . 1 1 83 83 THR HB H 1 4.359 0.030 . 1 . . . . 83 THR HB . 10092 1 974 . 1 1 83 83 THR HG21 H 1 1.408 0.030 . 1 . . . . 83 THR HG2 . 10092 1 975 . 1 1 83 83 THR HG22 H 1 1.408 0.030 . 1 . . . . 83 THR HG2 . 10092 1 976 . 1 1 83 83 THR HG23 H 1 1.408 0.030 . 1 . . . . 83 THR HG2 . 10092 1 977 . 1 1 83 83 THR C C 13 176.018 0.300 . 1 . . . . 83 THR C . 10092 1 978 . 1 1 83 83 THR CA C 13 64.672 0.300 . 1 . . . . 83 THR CA . 10092 1 979 . 1 1 83 83 THR CB C 13 69.610 0.300 . 1 . . . . 83 THR CB . 10092 1 980 . 1 1 83 83 THR CG2 C 13 21.221 0.300 . 1 . . . . 83 THR CG2 . 10092 1 981 . 1 1 83 83 THR N N 15 112.322 0.300 . 1 . . . . 83 THR N . 10092 1 982 . 1 1 84 84 THR H H 1 8.113 0.030 . 1 . . . . 84 THR H . 10092 1 983 . 1 1 84 84 THR HA H 1 4.443 0.030 . 1 . . . . 84 THR HA . 10092 1 984 . 1 1 84 84 THR HB H 1 4.532 0.030 . 1 . . . . 84 THR HB . 10092 1 985 . 1 1 84 84 THR HG21 H 1 1.438 0.030 . 1 . . . . 84 THR HG2 . 10092 1 986 . 1 1 84 84 THR HG22 H 1 1.438 0.030 . 1 . . . . 84 THR HG2 . 10092 1 987 . 1 1 84 84 THR HG23 H 1 1.438 0.030 . 1 . . . . 84 THR HG2 . 10092 1 988 . 1 1 84 84 THR C C 13 174.656 0.300 . 1 . . . . 84 THR C . 10092 1 989 . 1 1 84 84 THR CA C 13 61.869 0.300 . 1 . . . . 84 THR CA . 10092 1 990 . 1 1 84 84 THR CB C 13 70.970 0.300 . 1 . . . . 84 THR CB . 10092 1 991 . 1 1 84 84 THR CG2 C 13 21.054 0.300 . 1 . . . . 84 THR CG2 . 10092 1 992 . 1 1 84 84 THR N N 15 112.204 0.300 . 1 . . . . 84 THR N . 10092 1 993 . 1 1 85 85 ASN H H 1 7.986 0.030 . 1 . . . . 85 ASN H . 10092 1 994 . 1 1 85 85 ASN HA H 1 4.306 0.030 . 1 . . . . 85 ASN HA . 10092 1 995 . 1 1 85 85 ASN HB2 H 1 2.884 0.030 . 2 . . . . 85 ASN HB2 . 10092 1 996 . 1 1 85 85 ASN HB3 H 1 3.019 0.030 . 2 . . . . 85 ASN HB3 . 10092 1 997 . 1 1 85 85 ASN HD21 H 1 7.488 0.030 . 2 . . . . 85 ASN HD21 . 10092 1 998 . 1 1 85 85 ASN HD22 H 1 6.766 0.030 . 2 . . . . 85 ASN HD22 . 10092 1 999 . 1 1 85 85 ASN C C 13 173.556 0.300 . 1 . . . . 85 ASN C . 10092 1 1000 . 1 1 85 85 ASN CA C 13 54.101 0.300 . 1 . . . . 85 ASN CA . 10092 1 1001 . 1 1 85 85 ASN CB C 13 35.830 0.300 . 1 . . . . 85 ASN CB . 10092 1 1002 . 1 1 85 85 ASN N N 15 114.848 0.300 . 1 . . . . 85 ASN N . 10092 1 1003 . 1 1 85 85 ASN ND2 N 15 112.735 0.300 . 1 . . . . 85 ASN ND2 . 10092 1 1004 . 1 1 86 86 CYS H H 1 7.031 0.030 . 1 . . . . 86 CYS H . 10092 1 1005 . 1 1 86 86 CYS HA H 1 4.563 0.030 . 1 . . . . 86 CYS HA . 10092 1 1006 . 1 1 86 86 CYS HB2 H 1 2.301 0.030 . 1 . . . . 86 CYS HB2 . 10092 1 1007 . 1 1 86 86 CYS HB3 H 1 2.301 0.030 . 1 . . . . 86 CYS HB3 . 10092 1 1008 . 1 1 86 86 CYS C C 13 175.733 0.300 . 1 . . . . 86 CYS C . 10092 1 1009 . 1 1 86 86 CYS CA C 13 55.194 0.300 . 1 . . . . 86 CYS CA . 10092 1 1010 . 1 1 86 86 CYS CB C 13 28.497 0.300 . 1 . . . . 86 CYS CB . 10092 1 1011 . 1 1 86 86 CYS N N 15 113.812 0.300 . 1 . . . . 86 CYS N . 10092 1 1012 . 1 1 87 87 THR H H 1 9.140 0.030 . 1 . . . . 87 THR H . 10092 1 1013 . 1 1 87 87 THR HA H 1 5.083 0.030 . 1 . . . . 87 THR HA . 10092 1 1014 . 1 1 87 87 THR HB H 1 4.757 0.030 . 1 . . . . 87 THR HB . 10092 1 1015 . 1 1 87 87 THR HG21 H 1 1.040 0.030 . 1 . . . . 87 THR HG2 . 10092 1 1016 . 1 1 87 87 THR HG22 H 1 1.040 0.030 . 1 . . . . 87 THR HG2 . 10092 1 1017 . 1 1 87 87 THR HG23 H 1 1.040 0.030 . 1 . . . . 87 THR HG2 . 10092 1 1018 . 1 1 87 87 THR C C 13 175.685 0.300 . 1 . . . . 87 THR C . 10092 1 1019 . 1 1 87 87 THR CA C 13 60.287 0.300 . 1 . . . . 87 THR CA . 10092 1 1020 . 1 1 87 87 THR CB C 13 73.261 0.300 . 1 . . . . 87 THR CB . 10092 1 1021 . 1 1 87 87 THR CG2 C 13 22.053 0.300 . 1 . . . . 87 THR CG2 . 10092 1 1022 . 1 1 87 87 THR N N 15 113.319 0.300 . 1 . . . . 87 THR N . 10092 1 1023 . 1 1 88 88 VAL H H 1 9.160 0.030 . 1 . . . . 88 VAL H . 10092 1 1024 . 1 1 88 88 VAL HA H 1 3.444 0.030 . 1 . . . . 88 VAL HA . 10092 1 1025 . 1 1 88 88 VAL HB H 1 2.291 0.030 . 1 . . . . 88 VAL HB . 10092 1 1026 . 1 1 88 88 VAL HG11 H 1 0.836 0.030 . 1 . . . . 88 VAL HG1 . 10092 1 1027 . 1 1 88 88 VAL HG12 H 1 0.836 0.030 . 1 . . . . 88 VAL HG1 . 10092 1 1028 . 1 1 88 88 VAL HG13 H 1 0.836 0.030 . 1 . . . . 88 VAL HG1 . 10092 1 1029 . 1 1 88 88 VAL HG21 H 1 0.979 0.030 . 1 . . . . 88 VAL HG2 . 10092 1 1030 . 1 1 88 88 VAL HG22 H 1 0.979 0.030 . 1 . . . . 88 VAL HG2 . 10092 1 1031 . 1 1 88 88 VAL HG23 H 1 0.979 0.030 . 1 . . . . 88 VAL HG2 . 10092 1 1032 . 1 1 88 88 VAL C C 13 177.438 0.300 . 1 . . . . 88 VAL C . 10092 1 1033 . 1 1 88 88 VAL CA C 13 67.159 0.300 . 1 . . . . 88 VAL CA . 10092 1 1034 . 1 1 88 88 VAL CB C 13 31.999 0.300 . 1 . . . . 88 VAL CB . 10092 1 1035 . 1 1 88 88 VAL CG1 C 13 22.719 0.300 . 2 . . . . 88 VAL CG1 . 10092 1 1036 . 1 1 88 88 VAL CG2 C 13 25.798 0.300 . 2 . . . . 88 VAL CG2 . 10092 1 1037 . 1 1 88 88 VAL N N 15 120.575 0.300 . 1 . . . . 88 VAL N . 10092 1 1038 . 1 1 89 89 GLY H H 1 9.187 0.030 . 1 . . . . 89 GLY H . 10092 1 1039 . 1 1 89 89 GLY HA2 H 1 3.637 0.030 . 2 . . . . 89 GLY HA2 . 10092 1 1040 . 1 1 89 89 GLY HA3 H 1 3.929 0.030 . 2 . . . . 89 GLY HA3 . 10092 1 1041 . 1 1 89 89 GLY C C 13 175.491 0.300 . 1 . . . . 89 GLY C . 10092 1 1042 . 1 1 89 89 GLY CA C 13 47.223 0.300 . 1 . . . . 89 GLY CA . 10092 1 1043 . 1 1 89 89 GLY N N 15 107.895 0.300 . 1 . . . . 89 GLY N . 10092 1 1044 . 1 1 90 90 ASP H H 1 7.709 0.030 . 1 . . . . 90 ASP H . 10092 1 1045 . 1 1 90 90 ASP HA H 1 4.469 0.030 . 1 . . . . 90 ASP HA . 10092 1 1046 . 1 1 90 90 ASP HB2 H 1 3.189 0.030 . 2 . . . . 90 ASP HB2 . 10092 1 1047 . 1 1 90 90 ASP HB3 H 1 2.872 0.030 . 2 . . . . 90 ASP HB3 . 10092 1 1048 . 1 1 90 90 ASP C C 13 179.058 0.300 . 1 . . . . 90 ASP C . 10092 1 1049 . 1 1 90 90 ASP CA C 13 57.601 0.300 . 1 . . . . 90 ASP CA . 10092 1 1050 . 1 1 90 90 ASP CB C 13 41.006 0.300 . 1 . . . . 90 ASP CB . 10092 1 1051 . 1 1 90 90 ASP N N 15 121.841 0.300 . 1 . . . . 90 ASP N . 10092 1 1052 . 1 1 91 91 LEU H H 1 8.073 0.030 . 1 . . . . 91 LEU H . 10092 1 1053 . 1 1 91 91 LEU HA H 1 4.428 0.030 . 1 . . . . 91 LEU HA . 10092 1 1054 . 1 1 91 91 LEU HB2 H 1 1.665 0.030 . 2 . . . . 91 LEU HB2 . 10092 1 1055 . 1 1 91 91 LEU HB3 H 1 2.202 0.030 . 2 . . . . 91 LEU HB3 . 10092 1 1056 . 1 1 91 91 LEU HG H 1 1.570 0.030 . 1 . . . . 91 LEU HG . 10092 1 1057 . 1 1 91 91 LEU HD11 H 1 1.162 0.030 . 1 . . . . 91 LEU HD1 . 10092 1 1058 . 1 1 91 91 LEU HD12 H 1 1.162 0.030 . 1 . . . . 91 LEU HD1 . 10092 1 1059 . 1 1 91 91 LEU HD13 H 1 1.162 0.030 . 1 . . . . 91 LEU HD1 . 10092 1 1060 . 1 1 91 91 LEU HD21 H 1 0.891 0.030 . 1 . . . . 91 LEU HD2 . 10092 1 1061 . 1 1 91 91 LEU HD22 H 1 0.891 0.030 . 1 . . . . 91 LEU HD2 . 10092 1 1062 . 1 1 91 91 LEU HD23 H 1 0.891 0.030 . 1 . . . . 91 LEU HD2 . 10092 1 1063 . 1 1 91 91 LEU C C 13 177.596 0.300 . 1 . . . . 91 LEU C . 10092 1 1064 . 1 1 91 91 LEU CA C 13 58.151 0.300 . 1 . . . . 91 LEU CA . 10092 1 1065 . 1 1 91 91 LEU CB C 13 41.597 0.300 . 1 . . . . 91 LEU CB . 10092 1 1066 . 1 1 91 91 LEU CG C 13 27.734 0.300 . 1 . . . . 91 LEU CG . 10092 1 1067 . 1 1 91 91 LEU CD1 C 13 23.482 0.300 . 2 . . . . 91 LEU CD1 . 10092 1 1068 . 1 1 91 91 LEU CD2 C 13 27.466 0.300 . 2 . . . . 91 LEU CD2 . 10092 1 1069 . 1 1 91 91 LEU N N 15 120.508 0.300 . 1 . . . . 91 LEU N . 10092 1 1070 . 1 1 92 92 VAL H H 1 9.156 0.030 . 1 . . . . 92 VAL H . 10092 1 1071 . 1 1 92 92 VAL HA H 1 3.429 0.030 . 1 . . . . 92 VAL HA . 10092 1 1072 . 1 1 92 92 VAL HB H 1 2.230 0.030 . 1 . . . . 92 VAL HB . 10092 1 1073 . 1 1 92 92 VAL HG11 H 1 0.968 0.030 . 1 . . . . 92 VAL HG1 . 10092 1 1074 . 1 1 92 92 VAL HG12 H 1 0.968 0.030 . 1 . . . . 92 VAL HG1 . 10092 1 1075 . 1 1 92 92 VAL HG13 H 1 0.968 0.030 . 1 . . . . 92 VAL HG1 . 10092 1 1076 . 1 1 92 92 VAL HG21 H 1 1.118 0.030 . 1 . . . . 92 VAL HG2 . 10092 1 1077 . 1 1 92 92 VAL HG22 H 1 1.118 0.030 . 1 . . . . 92 VAL HG2 . 10092 1 1078 . 1 1 92 92 VAL HG23 H 1 1.118 0.030 . 1 . . . . 92 VAL HG2 . 10092 1 1079 . 1 1 92 92 VAL C C 13 176.688 0.300 . 1 . . . . 92 VAL C . 10092 1 1080 . 1 1 92 92 VAL CA C 13 68.479 0.300 . 1 . . . . 92 VAL CA . 10092 1 1081 . 1 1 92 92 VAL CB C 13 31.133 0.300 . 1 . . . . 92 VAL CB . 10092 1 1082 . 1 1 92 92 VAL CG1 C 13 21.803 0.300 . 2 . . . . 92 VAL CG1 . 10092 1 1083 . 1 1 92 92 VAL CG2 C 13 26.538 0.300 . 2 . . . . 92 VAL CG2 . 10092 1 1084 . 1 1 92 92 VAL N N 15 120.304 0.300 . 1 . . . . 92 VAL N . 10092 1 1085 . 1 1 93 93 ASP H H 1 8.083 0.030 . 1 . . . . 93 ASP H . 10092 1 1086 . 1 1 93 93 ASP HA H 1 4.403 0.030 . 1 . . . . 93 ASP HA . 10092 1 1087 . 1 1 93 93 ASP HB2 H 1 2.694 0.030 . 2 . . . . 93 ASP HB2 . 10092 1 1088 . 1 1 93 93 ASP HB3 H 1 2.883 0.030 . 2 . . . . 93 ASP HB3 . 10092 1 1089 . 1 1 93 93 ASP C C 13 179.602 0.300 . 1 . . . . 93 ASP C . 10092 1 1090 . 1 1 93 93 ASP CA C 13 57.806 0.300 . 1 . . . . 93 ASP CA . 10092 1 1091 . 1 1 93 93 ASP CB C 13 40.456 0.300 . 1 . . . . 93 ASP CB . 10092 1 1092 . 1 1 93 93 ASP N N 15 118.196 0.300 . 1 . . . . 93 ASP N . 10092 1 1093 . 1 1 94 94 LEU H H 1 7.465 0.030 . 1 . . . . 94 LEU H . 10092 1 1094 . 1 1 94 94 LEU HA H 1 4.062 0.030 . 1 . . . . 94 LEU HA . 10092 1 1095 . 1 1 94 94 LEU HB2 H 1 1.217 0.030 . 2 . . . . 94 LEU HB2 . 10092 1 1096 . 1 1 94 94 LEU HB3 H 1 1.969 0.030 . 2 . . . . 94 LEU HB3 . 10092 1 1097 . 1 1 94 94 LEU HG H 1 1.914 0.030 . 1 . . . . 94 LEU HG . 10092 1 1098 . 1 1 94 94 LEU HD11 H 1 0.727 0.030 . 1 . . . . 94 LEU HD1 . 10092 1 1099 . 1 1 94 94 LEU HD12 H 1 0.727 0.030 . 1 . . . . 94 LEU HD1 . 10092 1 1100 . 1 1 94 94 LEU HD13 H 1 0.727 0.030 . 1 . . . . 94 LEU HD1 . 10092 1 1101 . 1 1 94 94 LEU HD21 H 1 0.763 0.030 . 1 . . . . 94 LEU HD2 . 10092 1 1102 . 1 1 94 94 LEU HD22 H 1 0.763 0.030 . 1 . . . . 94 LEU HD2 . 10092 1 1103 . 1 1 94 94 LEU HD23 H 1 0.763 0.030 . 1 . . . . 94 LEU HD2 . 10092 1 1104 . 1 1 94 94 LEU C C 13 178.611 0.300 . 1 . . . . 94 LEU C . 10092 1 1105 . 1 1 94 94 LEU CA C 13 57.920 0.300 . 1 . . . . 94 LEU CA . 10092 1 1106 . 1 1 94 94 LEU CB C 13 42.504 0.300 . 1 . . . . 94 LEU CB . 10092 1 1107 . 1 1 94 94 LEU CG C 13 26.670 0.300 . 1 . . . . 94 LEU CG . 10092 1 1108 . 1 1 94 94 LEU CD1 C 13 27.467 0.300 . 2 . . . . 94 LEU CD1 . 10092 1 1109 . 1 1 94 94 LEU CD2 C 13 23.301 0.300 . 2 . . . . 94 LEU CD2 . 10092 1 1110 . 1 1 94 94 LEU N N 15 118.939 0.300 . 1 . . . . 94 LEU N . 10092 1 1111 . 1 1 95 95 LEU H H 1 8.654 0.030 . 1 . . . . 95 LEU H . 10092 1 1112 . 1 1 95 95 LEU HA H 1 3.851 0.030 . 1 . . . . 95 LEU HA . 10092 1 1113 . 1 1 95 95 LEU HB2 H 1 1.924 0.030 . 2 . . . . 95 LEU HB2 . 10092 1 1114 . 1 1 95 95 LEU HB3 H 1 1.766 0.030 . 2 . . . . 95 LEU HB3 . 10092 1 1115 . 1 1 95 95 LEU HG H 1 2.006 0.030 . 1 . . . . 95 LEU HG . 10092 1 1116 . 1 1 95 95 LEU HD11 H 1 0.649 0.030 . 1 . . . . 95 LEU HD1 . 10092 1 1117 . 1 1 95 95 LEU HD12 H 1 0.649 0.030 . 1 . . . . 95 LEU HD1 . 10092 1 1118 . 1 1 95 95 LEU HD13 H 1 0.649 0.030 . 1 . . . . 95 LEU HD1 . 10092 1 1119 . 1 1 95 95 LEU HD21 H 1 0.844 0.030 . 1 . . . . 95 LEU HD2 . 10092 1 1120 . 1 1 95 95 LEU HD22 H 1 0.844 0.030 . 1 . . . . 95 LEU HD2 . 10092 1 1121 . 1 1 95 95 LEU HD23 H 1 0.844 0.030 . 1 . . . . 95 LEU HD2 . 10092 1 1122 . 1 1 95 95 LEU C C 13 178.852 0.300 . 1 . . . . 95 LEU C . 10092 1 1123 . 1 1 95 95 LEU CA C 13 57.851 0.300 . 1 . . . . 95 LEU CA . 10092 1 1124 . 1 1 95 95 LEU CB C 13 40.896 0.300 . 1 . . . . 95 LEU CB . 10092 1 1125 . 1 1 95 95 LEU CG C 13 26.009 0.300 . 1 . . . . 95 LEU CG . 10092 1 1126 . 1 1 95 95 LEU CD1 C 13 25.741 0.300 . 2 . . . . 95 LEU CD1 . 10092 1 1127 . 1 1 95 95 LEU CD2 C 13 22.951 0.300 . 2 . . . . 95 LEU CD2 . 10092 1 1128 . 1 1 95 95 LEU N N 15 118.370 0.300 . 1 . . . . 95 LEU N . 10092 1 1129 . 1 1 96 96 VAL H H 1 8.540 0.030 . 1 . . . . 96 VAL H . 10092 1 1130 . 1 1 96 96 VAL HA H 1 3.332 0.030 . 1 . . . . 96 VAL HA . 10092 1 1131 . 1 1 96 96 VAL HB H 1 2.249 0.030 . 1 . . . . 96 VAL HB . 10092 1 1132 . 1 1 96 96 VAL HG11 H 1 1.025 0.030 . 1 . . . . 96 VAL HG1 . 10092 1 1133 . 1 1 96 96 VAL HG12 H 1 1.025 0.030 . 1 . . . . 96 VAL HG1 . 10092 1 1134 . 1 1 96 96 VAL HG13 H 1 1.025 0.030 . 1 . . . . 96 VAL HG1 . 10092 1 1135 . 1 1 96 96 VAL HG21 H 1 1.055 0.030 . 1 . . . . 96 VAL HG2 . 10092 1 1136 . 1 1 96 96 VAL HG22 H 1 1.055 0.030 . 1 . . . . 96 VAL HG2 . 10092 1 1137 . 1 1 96 96 VAL HG23 H 1 1.055 0.030 . 1 . . . . 96 VAL HG2 . 10092 1 1138 . 1 1 96 96 VAL C C 13 179.720 0.300 . 1 . . . . 96 VAL C . 10092 1 1139 . 1 1 96 96 VAL CA C 13 66.822 0.300 . 1 . . . . 96 VAL CA . 10092 1 1140 . 1 1 96 96 VAL CB C 13 31.546 0.300 . 1 . . . . 96 VAL CB . 10092 1 1141 . 1 1 96 96 VAL CG1 C 13 21.622 0.300 . 2 . . . . 96 VAL CG1 . 10092 1 1142 . 1 1 96 96 VAL CG2 C 13 23.748 0.300 . 2 . . . . 96 VAL CG2 . 10092 1 1143 . 1 1 96 96 VAL N N 15 117.773 0.300 . 1 . . . . 96 VAL N . 10092 1 1144 . 1 1 97 97 GLN H H 1 7.815 0.030 . 1 . . . . 97 GLN H . 10092 1 1145 . 1 1 97 97 GLN HA H 1 4.043 0.030 . 1 . . . . 97 GLN HA . 10092 1 1146 . 1 1 97 97 GLN HB2 H 1 2.329 0.030 . 1 . . . . 97 GLN HB2 . 10092 1 1147 . 1 1 97 97 GLN HB3 H 1 2.329 0.030 . 1 . . . . 97 GLN HB3 . 10092 1 1148 . 1 1 97 97 GLN HG2 H 1 2.545 0.030 . 2 . . . . 97 GLN HG2 . 10092 1 1149 . 1 1 97 97 GLN HG3 H 1 2.313 0.030 . 2 . . . . 97 GLN HG3 . 10092 1 1150 . 1 1 97 97 GLN HE21 H 1 7.410 0.030 . 2 . . . . 97 GLN HE21 . 10092 1 1151 . 1 1 97 97 GLN HE22 H 1 6.913 0.030 . 2 . . . . 97 GLN HE22 . 10092 1 1152 . 1 1 97 97 GLN C C 13 178.260 0.300 . 1 . . . . 97 GLN C . 10092 1 1153 . 1 1 97 97 GLN CA C 13 59.493 0.300 . 1 . . . . 97 GLN CA . 10092 1 1154 . 1 1 97 97 GLN CB C 13 28.991 0.300 . 1 . . . . 97 GLN CB . 10092 1 1155 . 1 1 97 97 GLN CG C 13 34.286 0.300 . 1 . . . . 97 GLN CG . 10092 1 1156 . 1 1 97 97 GLN N N 15 122.111 0.300 . 1 . . . . 97 GLN N . 10092 1 1157 . 1 1 97 97 GLN NE2 N 15 111.417 0.300 . 1 . . . . 97 GLN NE2 . 10092 1 1158 . 1 1 98 98 ILE H H 1 7.721 0.030 . 1 . . . . 98 ILE H . 10092 1 1159 . 1 1 98 98 ILE HA H 1 4.438 0.030 . 1 . . . . 98 ILE HA . 10092 1 1160 . 1 1 98 98 ILE HB H 1 2.081 0.030 . 1 . . . . 98 ILE HB . 10092 1 1161 . 1 1 98 98 ILE HG12 H 1 1.732 0.030 . 2 . . . . 98 ILE HG12 . 10092 1 1162 . 1 1 98 98 ILE HG13 H 1 1.215 0.030 . 2 . . . . 98 ILE HG13 . 10092 1 1163 . 1 1 98 98 ILE HG21 H 1 0.788 0.030 . 1 . . . . 98 ILE HG2 . 10092 1 1164 . 1 1 98 98 ILE HG22 H 1 0.788 0.030 . 1 . . . . 98 ILE HG2 . 10092 1 1165 . 1 1 98 98 ILE HG23 H 1 0.788 0.030 . 1 . . . . 98 ILE HG2 . 10092 1 1166 . 1 1 98 98 ILE HD11 H 1 0.609 0.030 . 1 . . . . 98 ILE HD1 . 10092 1 1167 . 1 1 98 98 ILE HD12 H 1 0.609 0.030 . 1 . . . . 98 ILE HD1 . 10092 1 1168 . 1 1 98 98 ILE HD13 H 1 0.609 0.030 . 1 . . . . 98 ILE HD1 . 10092 1 1169 . 1 1 98 98 ILE C C 13 173.786 0.300 . 1 . . . . 98 ILE C . 10092 1 1170 . 1 1 98 98 ILE CA C 13 61.066 0.300 . 1 . . . . 98 ILE CA . 10092 1 1171 . 1 1 98 98 ILE CB C 13 36.736 0.300 . 1 . . . . 98 ILE CB . 10092 1 1172 . 1 1 98 98 ILE CG1 C 13 25.077 0.300 . 1 . . . . 98 ILE CG1 . 10092 1 1173 . 1 1 98 98 ILE CG2 C 13 16.726 0.300 . 1 . . . . 98 ILE CG2 . 10092 1 1174 . 1 1 98 98 ILE CD1 C 13 14.671 0.300 . 1 . . . . 98 ILE CD1 . 10092 1 1175 . 1 1 98 98 ILE N N 15 109.673 0.300 . 1 . . . . 98 ILE N . 10092 1 1176 . 1 1 99 99 GLU H H 1 7.486 0.030 . 1 . . . . 99 GLU H . 10092 1 1177 . 1 1 99 99 GLU HA H 1 2.708 0.030 . 1 . . . . 99 GLU HA . 10092 1 1178 . 1 1 99 99 GLU HB2 H 1 2.190 0.030 . 2 . . . . 99 GLU HB2 . 10092 1 1179 . 1 1 99 99 GLU HB3 H 1 1.999 0.030 . 2 . . . . 99 GLU HB3 . 10092 1 1180 . 1 1 99 99 GLU HG2 H 1 2.066 0.030 . 2 . . . . 99 GLU HG2 . 10092 1 1181 . 1 1 99 99 GLU HG3 H 1 2.023 0.030 . 2 . . . . 99 GLU HG3 . 10092 1 1182 . 1 1 99 99 GLU C C 13 175.177 0.300 . 1 . . . . 99 GLU C . 10092 1 1183 . 1 1 99 99 GLU CA C 13 57.084 0.300 . 1 . . . . 99 GLU CA . 10092 1 1184 . 1 1 99 99 GLU CB C 13 25.819 0.300 . 1 . . . . 99 GLU CB . 10092 1 1185 . 1 1 99 99 GLU CG C 13 36.897 0.300 . 1 . . . . 99 GLU CG . 10092 1 1186 . 1 1 99 99 GLU N N 15 114.714 0.300 . 1 . . . . 99 GLU N . 10092 1 1187 . 1 1 100 100 LEU H H 1 8.302 0.030 . 1 . . . . 100 LEU H . 10092 1 1188 . 1 1 100 100 LEU HA H 1 4.692 0.030 . 1 . . . . 100 LEU HA . 10092 1 1189 . 1 1 100 100 LEU HB2 H 1 1.223 0.030 . 2 . . . . 100 LEU HB2 . 10092 1 1190 . 1 1 100 100 LEU HB3 H 1 1.498 0.030 . 2 . . . . 100 LEU HB3 . 10092 1 1191 . 1 1 100 100 LEU HG H 1 1.510 0.030 . 1 . . . . 100 LEU HG . 10092 1 1192 . 1 1 100 100 LEU HD11 H 1 0.853 0.030 . 1 . . . . 100 LEU HD1 . 10092 1 1193 . 1 1 100 100 LEU HD12 H 1 0.853 0.030 . 1 . . . . 100 LEU HD1 . 10092 1 1194 . 1 1 100 100 LEU HD13 H 1 0.853 0.030 . 1 . . . . 100 LEU HD1 . 10092 1 1195 . 1 1 100 100 LEU HD21 H 1 0.820 0.030 . 1 . . . . 100 LEU HD2 . 10092 1 1196 . 1 1 100 100 LEU HD22 H 1 0.820 0.030 . 1 . . . . 100 LEU HD2 . 10092 1 1197 . 1 1 100 100 LEU HD23 H 1 0.820 0.030 . 1 . . . . 100 LEU HD2 . 10092 1 1198 . 1 1 100 100 LEU C C 13 175.818 0.300 . 1 . . . . 100 LEU C . 10092 1 1199 . 1 1 100 100 LEU CA C 13 52.275 0.300 . 1 . . . . 100 LEU CA . 10092 1 1200 . 1 1 100 100 LEU CB C 13 40.749 0.300 . 1 . . . . 100 LEU CB . 10092 1 1201 . 1 1 100 100 LEU CG C 13 26.936 0.300 . 1 . . . . 100 LEU CG . 10092 1 1202 . 1 1 100 100 LEU CD1 C 13 23.876 0.300 . 2 . . . . 100 LEU CD1 . 10092 1 1203 . 1 1 100 100 LEU CD2 C 13 26.139 0.300 . 2 . . . . 100 LEU CD2 . 10092 1 1204 . 1 1 100 100 LEU N N 15 123.154 0.300 . 1 . . . . 100 LEU N . 10092 1 1205 . 1 1 101 101 PHE H H 1 6.841 0.030 . 1 . . . . 101 PHE H . 10092 1 1206 . 1 1 101 101 PHE HA H 1 4.004 0.030 . 1 . . . . 101 PHE HA . 10092 1 1207 . 1 1 101 101 PHE HB2 H 1 2.847 0.030 . 2 . . . . 101 PHE HB2 . 10092 1 1208 . 1 1 101 101 PHE HB3 H 1 3.163 0.030 . 2 . . . . 101 PHE HB3 . 10092 1 1209 . 1 1 101 101 PHE HD1 H 1 7.141 0.030 . 1 . . . . 101 PHE HD1 . 10092 1 1210 . 1 1 101 101 PHE HD2 H 1 7.141 0.030 . 1 . . . . 101 PHE HD2 . 10092 1 1211 . 1 1 101 101 PHE HE1 H 1 7.491 0.030 . 1 . . . . 101 PHE HE1 . 10092 1 1212 . 1 1 101 101 PHE HE2 H 1 7.491 0.030 . 1 . . . . 101 PHE HE2 . 10092 1 1213 . 1 1 101 101 PHE HZ H 1 7.415 0.030 . 1 . . . . 101 PHE HZ . 10092 1 1214 . 1 1 101 101 PHE C C 13 178.042 0.300 . 1 . . . . 101 PHE C . 10092 1 1215 . 1 1 101 101 PHE CA C 13 60.405 0.300 . 1 . . . . 101 PHE CA . 10092 1 1216 . 1 1 101 101 PHE CB C 13 38.796 0.300 . 1 . . . . 101 PHE CB . 10092 1 1217 . 1 1 101 101 PHE CD1 C 13 130.738 0.300 . 1 . . . . 101 PHE CD1 . 10092 1 1218 . 1 1 101 101 PHE CD2 C 13 130.738 0.300 . 1 . . . . 101 PHE CD2 . 10092 1 1219 . 1 1 101 101 PHE CE1 C 13 132.110 0.300 . 1 . . . . 101 PHE CE1 . 10092 1 1220 . 1 1 101 101 PHE CE2 C 13 132.110 0.300 . 1 . . . . 101 PHE CE2 . 10092 1 1221 . 1 1 101 101 PHE CZ C 13 130.134 0.300 . 1 . . . . 101 PHE CZ . 10092 1 1222 . 1 1 101 101 PHE N N 15 117.353 0.300 . 1 . . . . 101 PHE N . 10092 1 1223 . 1 1 102 102 ALA H H 1 9.055 0.030 . 1 . . . . 102 ALA H . 10092 1 1224 . 1 1 102 102 ALA HA H 1 4.161 0.030 . 1 . . . . 102 ALA HA . 10092 1 1225 . 1 1 102 102 ALA HB1 H 1 1.030 0.030 . 1 . . . . 102 ALA HB . 10092 1 1226 . 1 1 102 102 ALA HB2 H 1 1.030 0.030 . 1 . . . . 102 ALA HB . 10092 1 1227 . 1 1 102 102 ALA HB3 H 1 1.030 0.030 . 1 . . . . 102 ALA HB . 10092 1 1228 . 1 1 102 102 ALA C C 13 177.620 0.300 . 1 . . . . 102 ALA C . 10092 1 1229 . 1 1 102 102 ALA CA C 13 56.713 0.300 . 1 . . . . 102 ALA CA . 10092 1 1230 . 1 1 102 102 ALA CB C 13 15.070 0.300 . 1 . . . . 102 ALA CB . 10092 1 1231 . 1 1 102 102 ALA N N 15 122.234 0.300 . 1 . . . . 102 ALA N . 10092 1 1232 . 1 1 103 103 PRO HA H 1 3.975 0.030 . 1 . . . . 103 PRO HA . 10092 1 1233 . 1 1 103 103 PRO HB2 H 1 1.790 0.030 . 2 . . . . 103 PRO HB2 . 10092 1 1234 . 1 1 103 103 PRO HB3 H 1 1.786 0.030 . 2 . . . . 103 PRO HB3 . 10092 1 1235 . 1 1 103 103 PRO HG2 H 1 1.712 0.030 . 2 . . . . 103 PRO HG2 . 10092 1 1236 . 1 1 103 103 PRO HG3 H 1 2.231 0.030 . 2 . . . . 103 PRO HG3 . 10092 1 1237 . 1 1 103 103 PRO HD2 H 1 3.748 0.030 . 2 . . . . 103 PRO HD2 . 10092 1 1238 . 1 1 103 103 PRO HD3 H 1 2.745 0.030 . 2 . . . . 103 PRO HD3 . 10092 1 1239 . 1 1 103 103 PRO C C 13 176.148 0.300 . 1 . . . . 103 PRO C . 10092 1 1240 . 1 1 103 103 PRO CA C 13 64.416 0.300 . 1 . . . . 103 PRO CA . 10092 1 1241 . 1 1 103 103 PRO CB C 13 30.186 0.300 . 1 . . . . 103 PRO CB . 10092 1 1242 . 1 1 103 103 PRO CG C 13 28.377 0.300 . 1 . . . . 103 PRO CG . 10092 1 1243 . 1 1 103 103 PRO CD C 13 48.433 0.300 . 1 . . . . 103 PRO CD . 10092 1 1244 . 1 1 104 104 ALA H H 1 6.611 0.030 . 1 . . . . 104 ALA H . 10092 1 1245 . 1 1 104 104 ALA HA H 1 3.916 0.030 . 1 . . . . 104 ALA HA . 10092 1 1246 . 1 1 104 104 ALA HB1 H 1 1.502 0.030 . 1 . . . . 104 ALA HB . 10092 1 1247 . 1 1 104 104 ALA HB2 H 1 1.502 0.030 . 1 . . . . 104 ALA HB . 10092 1 1248 . 1 1 104 104 ALA HB3 H 1 1.502 0.030 . 1 . . . . 104 ALA HB . 10092 1 1249 . 1 1 104 104 ALA C C 13 177.873 0.300 . 1 . . . . 104 ALA C . 10092 1 1250 . 1 1 104 104 ALA CA C 13 55.607 0.300 . 1 . . . . 104 ALA CA . 10092 1 1251 . 1 1 104 104 ALA CB C 13 18.569 0.300 . 1 . . . . 104 ALA CB . 10092 1 1252 . 1 1 104 104 ALA N N 15 119.635 0.300 . 1 . . . . 104 ALA N . 10092 1 1253 . 1 1 105 105 THR H H 1 8.060 0.030 . 1 . . . . 105 THR H . 10092 1 1254 . 1 1 105 105 THR HA H 1 3.760 0.030 . 1 . . . . 105 THR HA . 10092 1 1255 . 1 1 105 105 THR HB H 1 4.180 0.030 . 1 . . . . 105 THR HB . 10092 1 1256 . 1 1 105 105 THR HG21 H 1 1.232 0.030 . 1 . . . . 105 THR HG2 . 10092 1 1257 . 1 1 105 105 THR HG22 H 1 1.232 0.030 . 1 . . . . 105 THR HG2 . 10092 1 1258 . 1 1 105 105 THR HG23 H 1 1.232 0.030 . 1 . . . . 105 THR HG2 . 10092 1 1259 . 1 1 105 105 THR C C 13 175.309 0.300 . 1 . . . . 105 THR C . 10092 1 1260 . 1 1 105 105 THR CA C 13 65.367 0.300 . 1 . . . . 105 THR CA . 10092 1 1261 . 1 1 105 105 THR CB C 13 69.198 0.300 . 1 . . . . 105 THR CB . 10092 1 1262 . 1 1 105 105 THR CG2 C 13 22.053 0.300 . 1 . . . . 105 THR CG2 . 10092 1 1263 . 1 1 105 105 THR N N 15 112.426 0.300 . 1 . . . . 105 THR N . 10092 1 1264 . 1 1 106 106 LEU H H 1 7.087 0.030 . 1 . . . . 106 LEU H . 10092 1 1265 . 1 1 106 106 LEU HA H 1 4.004 0.030 . 1 . . . . 106 LEU HA . 10092 1 1266 . 1 1 106 106 LEU HB2 H 1 1.626 0.030 . 2 . . . . 106 LEU HB2 . 10092 1 1267 . 1 1 106 106 LEU HB3 H 1 1.918 0.030 . 2 . . . . 106 LEU HB3 . 10092 1 1268 . 1 1 106 106 LEU HG H 1 1.581 0.030 . 1 . . . . 106 LEU HG . 10092 1 1269 . 1 1 106 106 LEU HD11 H 1 0.970 0.030 . 1 . . . . 106 LEU HD1 . 10092 1 1270 . 1 1 106 106 LEU HD12 H 1 0.970 0.030 . 1 . . . . 106 LEU HD1 . 10092 1 1271 . 1 1 106 106 LEU HD13 H 1 0.970 0.030 . 1 . . . . 106 LEU HD1 . 10092 1 1272 . 1 1 106 106 LEU HD21 H 1 0.919 0.030 . 1 . . . . 106 LEU HD2 . 10092 1 1273 . 1 1 106 106 LEU HD22 H 1 0.919 0.030 . 1 . . . . 106 LEU HD2 . 10092 1 1274 . 1 1 106 106 LEU HD23 H 1 0.919 0.030 . 1 . . . . 106 LEU HD2 . 10092 1 1275 . 1 1 106 106 LEU C C 13 177.147 0.300 . 1 . . . . 106 LEU C . 10092 1 1276 . 1 1 106 106 LEU CA C 13 57.283 0.300 . 1 . . . . 106 LEU CA . 10092 1 1277 . 1 1 106 106 LEU CB C 13 42.215 0.300 . 1 . . . . 106 LEU CB . 10092 1 1278 . 1 1 106 106 LEU CG C 13 27.069 0.300 . 1 . . . . 106 LEU CG . 10092 1 1279 . 1 1 106 106 LEU CD1 C 13 24.482 0.300 . 2 . . . . 106 LEU CD1 . 10092 1 1280 . 1 1 106 106 LEU CD2 C 13 26.006 0.300 . 2 . . . . 106 LEU CD2 . 10092 1 1281 . 1 1 106 106 LEU N N 15 119.982 0.300 . 1 . . . . 106 LEU N . 10092 1 1282 . 1 1 107 107 LEU H H 1 6.816 0.030 . 1 . . . . 107 LEU H . 10092 1 1283 . 1 1 107 107 LEU HA H 1 4.130 0.030 . 1 . . . . 107 LEU HA . 10092 1 1284 . 1 1 107 107 LEU HB2 H 1 1.130 0.030 . 2 . . . . 107 LEU HB2 . 10092 1 1285 . 1 1 107 107 LEU HB3 H 1 1.837 0.030 . 2 . . . . 107 LEU HB3 . 10092 1 1286 . 1 1 107 107 LEU HG H 1 1.885 0.030 . 1 . . . . 107 LEU HG . 10092 1 1287 . 1 1 107 107 LEU HD11 H 1 0.799 0.030 . 1 . . . . 107 LEU HD1 . 10092 1 1288 . 1 1 107 107 LEU HD12 H 1 0.799 0.030 . 1 . . . . 107 LEU HD1 . 10092 1 1289 . 1 1 107 107 LEU HD13 H 1 0.799 0.030 . 1 . . . . 107 LEU HD1 . 10092 1 1290 . 1 1 107 107 LEU HD21 H 1 0.750 0.030 . 1 . . . . 107 LEU HD2 . 10092 1 1291 . 1 1 107 107 LEU HD22 H 1 0.750 0.030 . 1 . . . . 107 LEU HD2 . 10092 1 1292 . 1 1 107 107 LEU HD23 H 1 0.750 0.030 . 1 . . . . 107 LEU HD2 . 10092 1 1293 . 1 1 107 107 LEU C C 13 175.938 0.300 . 1 . . . . 107 LEU C . 10092 1 1294 . 1 1 107 107 LEU CA C 13 56.583 0.300 . 1 . . . . 107 LEU CA . 10092 1 1295 . 1 1 107 107 LEU CB C 13 43.122 0.300 . 1 . . . . 107 LEU CB . 10092 1 1296 . 1 1 107 107 LEU CG C 13 26.291 0.300 . 1 . . . . 107 LEU CG . 10092 1 1297 . 1 1 107 107 LEU CD1 C 13 26.670 0.300 . 2 . . . . 107 LEU CD1 . 10092 1 1298 . 1 1 107 107 LEU CD2 C 13 22.885 0.300 . 2 . . . . 107 LEU CD2 . 10092 1 1299 . 1 1 107 107 LEU N N 15 115.130 0.300 . 1 . . . . 107 LEU N . 10092 1 1300 . 1 1 108 108 LEU H H 1 7.472 0.030 . 1 . . . . 108 LEU H . 10092 1 1301 . 1 1 108 108 LEU HA H 1 4.903 0.030 . 1 . . . . 108 LEU HA . 10092 1 1302 . 1 1 108 108 LEU HB2 H 1 1.674 0.030 . 2 . . . . 108 LEU HB2 . 10092 1 1303 . 1 1 108 108 LEU HB3 H 1 1.401 0.030 . 2 . . . . 108 LEU HB3 . 10092 1 1304 . 1 1 108 108 LEU HG H 1 1.225 0.030 . 1 . . . . 108 LEU HG . 10092 1 1305 . 1 1 108 108 LEU HD11 H 1 0.730 0.030 . 1 . . . . 108 LEU HD1 . 10092 1 1306 . 1 1 108 108 LEU HD12 H 1 0.730 0.030 . 1 . . . . 108 LEU HD1 . 10092 1 1307 . 1 1 108 108 LEU HD13 H 1 0.730 0.030 . 1 . . . . 108 LEU HD1 . 10092 1 1308 . 1 1 108 108 LEU HD21 H 1 0.774 0.030 . 1 . . . . 108 LEU HD2 . 10092 1 1309 . 1 1 108 108 LEU HD22 H 1 0.774 0.030 . 1 . . . . 108 LEU HD2 . 10092 1 1310 . 1 1 108 108 LEU HD23 H 1 0.774 0.030 . 1 . . . . 108 LEU HD2 . 10092 1 1311 . 1 1 108 108 LEU C C 13 173.736 0.300 . 1 . . . . 108 LEU C . 10092 1 1312 . 1 1 108 108 LEU CA C 13 51.108 0.300 . 1 . . . . 108 LEU CA . 10092 1 1313 . 1 1 108 108 LEU CB C 13 43.773 0.300 . 1 . . . . 108 LEU CB . 10092 1 1314 . 1 1 108 108 LEU CG C 13 26.006 0.300 . 1 . . . . 108 LEU CG . 10092 1 1315 . 1 1 108 108 LEU CD1 C 13 23.076 0.300 . 2 . . . . 108 LEU CD1 . 10092 1 1316 . 1 1 108 108 LEU CD2 C 13 26.538 0.300 . 2 . . . . 108 LEU CD2 . 10092 1 1317 . 1 1 108 108 LEU N N 15 114.486 0.300 . 1 . . . . 108 LEU N . 10092 1 1318 . 1 1 109 109 PRO HA H 1 4.364 0.030 . 1 . . . . 109 PRO HA . 10092 1 1319 . 1 1 109 109 PRO HB2 H 1 1.957 0.030 . 2 . . . . 109 PRO HB2 . 10092 1 1320 . 1 1 109 109 PRO HB3 H 1 2.439 0.030 . 2 . . . . 109 PRO HB3 . 10092 1 1321 . 1 1 109 109 PRO HG2 H 1 2.118 0.030 . 2 . . . . 109 PRO HG2 . 10092 1 1322 . 1 1 109 109 PRO HG3 H 1 1.963 0.030 . 2 . . . . 109 PRO HG3 . 10092 1 1323 . 1 1 109 109 PRO HD2 H 1 3.440 0.030 . 2 . . . . 109 PRO HD2 . 10092 1 1324 . 1 1 109 109 PRO HD3 H 1 3.784 0.030 . 2 . . . . 109 PRO HD3 . 10092 1 1325 . 1 1 109 109 PRO C C 13 178.251 0.300 . 1 . . . . 109 PRO C . 10092 1 1326 . 1 1 109 109 PRO CA C 13 65.043 0.300 . 1 . . . . 109 PRO CA . 10092 1 1327 . 1 1 109 109 PRO CB C 13 31.669 0.300 . 1 . . . . 109 PRO CB . 10092 1 1328 . 1 1 109 109 PRO CG C 13 27.212 0.300 . 1 . . . . 109 PRO CG . 10092 1 1329 . 1 1 109 109 PRO CD C 13 49.918 0.300 . 1 . . . . 109 PRO CD . 10092 1 1330 . 1 1 110 110 ASP H H 1 8.431 0.030 . 1 . . . . 110 ASP H . 10092 1 1331 . 1 1 110 110 ASP HA H 1 4.566 0.030 . 1 . . . . 110 ASP HA . 10092 1 1332 . 1 1 110 110 ASP HB2 H 1 2.594 0.030 . 2 . . . . 110 ASP HB2 . 10092 1 1333 . 1 1 110 110 ASP HB3 H 1 2.703 0.030 . 2 . . . . 110 ASP HB3 . 10092 1 1334 . 1 1 110 110 ASP C C 13 176.482 0.300 . 1 . . . . 110 ASP C . 10092 1 1335 . 1 1 110 110 ASP CA C 13 54.559 0.300 . 1 . . . . 110 ASP CA . 10092 1 1336 . 1 1 110 110 ASP CB C 13 40.361 0.300 . 1 . . . . 110 ASP CB . 10092 1 1337 . 1 1 110 110 ASP N N 15 114.920 0.300 . 1 . . . . 110 ASP N . 10092 1 1338 . 1 1 111 111 ALA H H 1 7.843 0.030 . 1 . . . . 111 ALA H . 10092 1 1339 . 1 1 111 111 ALA HA H 1 4.296 0.030 . 1 . . . . 111 ALA HA . 10092 1 1340 . 1 1 111 111 ALA HB1 H 1 1.396 0.030 . 1 . . . . 111 ALA HB . 10092 1 1341 . 1 1 111 111 ALA HB2 H 1 1.396 0.030 . 1 . . . . 111 ALA HB . 10092 1 1342 . 1 1 111 111 ALA HB3 H 1 1.396 0.030 . 1 . . . . 111 ALA HB . 10092 1 1343 . 1 1 111 111 ALA C C 13 177.075 0.300 . 1 . . . . 111 ALA C . 10092 1 1344 . 1 1 111 111 ALA CA C 13 52.778 0.300 . 1 . . . . 111 ALA CA . 10092 1 1345 . 1 1 111 111 ALA CB C 13 20.258 0.300 . 1 . . . . 111 ALA CB . 10092 1 1346 . 1 1 111 111 ALA N N 15 121.799 0.300 . 1 . . . . 111 ALA N . 10092 1 1347 . 1 1 112 112 VAL H H 1 7.270 0.030 . 1 . . . . 112 VAL H . 10092 1 1348 . 1 1 112 112 VAL HA H 1 4.226 0.030 . 1 . . . . 112 VAL HA . 10092 1 1349 . 1 1 112 112 VAL HB H 1 1.948 0.030 . 1 . . . . 112 VAL HB . 10092 1 1350 . 1 1 112 112 VAL HG11 H 1 0.810 0.030 . 1 . . . . 112 VAL HG1 . 10092 1 1351 . 1 1 112 112 VAL HG12 H 1 0.810 0.030 . 1 . . . . 112 VAL HG1 . 10092 1 1352 . 1 1 112 112 VAL HG13 H 1 0.810 0.030 . 1 . . . . 112 VAL HG1 . 10092 1 1353 . 1 1 112 112 VAL HG21 H 1 0.810 0.030 . 1 . . . . 112 VAL HG2 . 10092 1 1354 . 1 1 112 112 VAL HG22 H 1 0.810 0.030 . 1 . . . . 112 VAL HG2 . 10092 1 1355 . 1 1 112 112 VAL HG23 H 1 0.810 0.030 . 1 . . . . 112 VAL HG2 . 10092 1 1356 . 1 1 112 112 VAL C C 13 173.784 0.300 . 1 . . . . 112 VAL C . 10092 1 1357 . 1 1 112 112 VAL CA C 13 59.815 0.300 . 1 . . . . 112 VAL CA . 10092 1 1358 . 1 1 112 112 VAL CB C 13 32.740 0.300 . 1 . . . . 112 VAL CB . 10092 1 1359 . 1 1 112 112 VAL CG1 C 13 20.959 0.300 . 1 . . . . 112 VAL CG1 . 10092 1 1360 . 1 1 112 112 VAL CG2 C 13 20.959 0.300 . 1 . . . . 112 VAL CG2 . 10092 1 1361 . 1 1 112 112 VAL N N 15 117.462 0.300 . 1 . . . . 112 VAL N . 10092 1 1362 . 1 1 113 113 PRO HA H 1 4.364 0.030 . 1 . . . . 113 PRO HA . 10092 1 1363 . 1 1 113 113 PRO HB2 H 1 1.802 0.030 . 2 . . . . 113 PRO HB2 . 10092 1 1364 . 1 1 113 113 PRO HB3 H 1 2.253 0.030 . 2 . . . . 113 PRO HB3 . 10092 1 1365 . 1 1 113 113 PRO HG2 H 1 1.940 0.030 . 1 . . . . 113 PRO HG2 . 10092 1 1366 . 1 1 113 113 PRO HG3 H 1 1.940 0.030 . 1 . . . . 113 PRO HG3 . 10092 1 1367 . 1 1 113 113 PRO HD2 H 1 3.461 0.030 . 2 . . . . 113 PRO HD2 . 10092 1 1368 . 1 1 113 113 PRO HD3 H 1 3.820 0.030 . 2 . . . . 113 PRO HD3 . 10092 1 1369 . 1 1 113 113 PRO C C 13 176.847 0.300 . 1 . . . . 113 PRO C . 10092 1 1370 . 1 1 113 113 PRO CA C 13 63.276 0.300 . 1 . . . . 113 PRO CA . 10092 1 1371 . 1 1 113 113 PRO CB C 13 31.976 0.300 . 1 . . . . 113 PRO CB . 10092 1 1372 . 1 1 113 113 PRO CG C 13 27.379 0.300 . 1 . . . . 113 PRO CG . 10092 1 1373 . 1 1 113 113 PRO CD C 13 50.907 0.300 . 1 . . . . 113 PRO CD . 10092 1 1374 . 1 1 114 114 GLN H H 1 8.505 0.030 . 1 . . . . 114 GLN H . 10092 1 1375 . 1 1 114 114 GLN HA H 1 4.208 0.030 . 1 . . . . 114 GLN HA . 10092 1 1376 . 1 1 114 114 GLN HB2 H 1 1.927 0.030 . 2 . . . . 114 GLN HB2 . 10092 1 1377 . 1 1 114 114 GLN HB3 H 1 2.047 0.030 . 2 . . . . 114 GLN HB3 . 10092 1 1378 . 1 1 114 114 GLN HG2 H 1 2.345 0.030 . 1 . . . . 114 GLN HG2 . 10092 1 1379 . 1 1 114 114 GLN HG3 H 1 2.345 0.030 . 1 . . . . 114 GLN HG3 . 10092 1 1380 . 1 1 114 114 GLN HE21 H 1 7.528 0.030 . 2 . . . . 114 GLN HE21 . 10092 1 1381 . 1 1 114 114 GLN HE22 H 1 6.819 0.030 . 2 . . . . 114 GLN HE22 . 10092 1 1382 . 1 1 114 114 GLN C C 13 176.458 0.300 . 1 . . . . 114 GLN C . 10092 1 1383 . 1 1 114 114 GLN CA C 13 56.206 0.300 . 1 . . . . 114 GLN CA . 10092 1 1384 . 1 1 114 114 GLN CB C 13 29.280 0.300 . 1 . . . . 114 GLN CB . 10092 1 1385 . 1 1 114 114 GLN CG C 13 33.870 0.300 . 1 . . . . 114 GLN CG . 10092 1 1386 . 1 1 114 114 GLN N N 15 120.468 0.300 . 1 . . . . 114 GLN N . 10092 1 1387 . 1 1 114 114 GLN NE2 N 15 112.883 0.300 . 1 . . . . 114 GLN NE2 . 10092 1 1388 . 1 1 115 115 THR H H 1 7.983 0.030 . 1 . . . . 115 THR H . 10092 1 1389 . 1 1 115 115 THR HA H 1 4.211 0.030 . 1 . . . . 115 THR HA . 10092 1 1390 . 1 1 115 115 THR HB H 1 4.117 0.030 . 1 . . . . 115 THR HB . 10092 1 1391 . 1 1 115 115 THR HG21 H 1 1.117 0.030 . 1 . . . . 115 THR HG2 . 10092 1 1392 . 1 1 115 115 THR HG22 H 1 1.117 0.030 . 1 . . . . 115 THR HG2 . 10092 1 1393 . 1 1 115 115 THR HG23 H 1 1.117 0.030 . 1 . . . . 115 THR HG2 . 10092 1 1394 . 1 1 115 115 THR C C 13 174.632 0.300 . 1 . . . . 115 THR C . 10092 1 1395 . 1 1 115 115 THR CA C 13 62.060 0.300 . 1 . . . . 115 THR CA . 10092 1 1396 . 1 1 115 115 THR CB C 13 69.610 0.300 . 1 . . . . 115 THR CB . 10092 1 1397 . 1 1 115 115 THR CG2 C 13 21.720 0.300 . 1 . . . . 115 THR CG2 . 10092 1 1398 . 1 1 115 115 THR N N 15 114.121 0.300 . 1 . . . . 115 THR N . 10092 1 1399 . 1 1 116 116 VAL H H 1 7.980 0.030 . 1 . . . . 116 VAL H . 10092 1 1400 . 1 1 116 116 VAL HA H 1 4.039 0.030 . 1 . . . . 116 VAL HA . 10092 1 1401 . 1 1 116 116 VAL HB H 1 1.948 0.030 . 1 . . . . 116 VAL HB . 10092 1 1402 . 1 1 116 116 VAL HG11 H 1 0.807 0.030 . 1 . . . . 116 VAL HG1 . 10092 1 1403 . 1 1 116 116 VAL HG12 H 1 0.807 0.030 . 1 . . . . 116 VAL HG1 . 10092 1 1404 . 1 1 116 116 VAL HG13 H 1 0.807 0.030 . 1 . . . . 116 VAL HG1 . 10092 1 1405 . 1 1 116 116 VAL HG21 H 1 0.807 0.030 . 1 . . . . 116 VAL HG2 . 10092 1 1406 . 1 1 116 116 VAL HG22 H 1 0.807 0.030 . 1 . . . . 116 VAL HG2 . 10092 1 1407 . 1 1 116 116 VAL HG23 H 1 0.807 0.030 . 1 . . . . 116 VAL HG2 . 10092 1 1408 . 1 1 116 116 VAL C C 13 175.999 0.300 . 1 . . . . 116 VAL C . 10092 1 1409 . 1 1 116 116 VAL CA C 13 62.363 0.300 . 1 . . . . 116 VAL CA . 10092 1 1410 . 1 1 116 116 VAL CB C 13 32.647 0.300 . 1 . . . . 116 VAL CB . 10092 1 1411 . 1 1 116 116 VAL CG1 C 13 20.888 0.300 . 1 . . . . 116 VAL CG1 . 10092 1 1412 . 1 1 116 116 VAL CG2 C 13 20.888 0.300 . 1 . . . . 116 VAL CG2 . 10092 1 1413 . 1 1 116 116 VAL N N 15 121.852 0.300 . 1 . . . . 116 VAL N . 10092 1 1414 . 1 1 117 117 LYS H H 1 8.239 0.030 . 1 . . . . 117 LYS H . 10092 1 1415 . 1 1 117 117 LYS HA H 1 4.286 0.030 . 1 . . . . 117 LYS HA . 10092 1 1416 . 1 1 117 117 LYS HB2 H 1 1.723 0.030 . 2 . . . . 117 LYS HB2 . 10092 1 1417 . 1 1 117 117 LYS HB3 H 1 1.808 0.030 . 2 . . . . 117 LYS HB3 . 10092 1 1418 . 1 1 117 117 LYS HG2 H 1 1.428 0.030 . 2 . . . . 117 LYS HG2 . 10092 1 1419 . 1 1 117 117 LYS HG3 H 1 1.374 0.030 . 2 . . . . 117 LYS HG3 . 10092 1 1420 . 1 1 117 117 LYS HD2 H 1 1.666 0.030 . 2 . . . . 117 LYS HD2 . 10092 1 1421 . 1 1 117 117 LYS HE2 H 1 3.016 0.030 . 1 . . . . 117 LYS HE2 . 10092 1 1422 . 1 1 117 117 LYS HE3 H 1 3.016 0.030 . 1 . . . . 117 LYS HE3 . 10092 1 1423 . 1 1 117 117 LYS C C 13 176.313 0.300 . 1 . . . . 117 LYS C . 10092 1 1424 . 1 1 117 117 LYS CA C 13 56.342 0.300 . 1 . . . . 117 LYS CA . 10092 1 1425 . 1 1 117 117 LYS CB C 13 32.987 0.300 . 1 . . . . 117 LYS CB . 10092 1 1426 . 1 1 117 117 LYS CG C 13 24.678 0.300 . 1 . . . . 117 LYS CG . 10092 1 1427 . 1 1 117 117 LYS CD C 13 29.210 0.300 . 1 . . . . 117 LYS CD . 10092 1 1428 . 1 1 117 117 LYS CE C 13 42.275 0.300 . 1 . . . . 117 LYS CE . 10092 1 1429 . 1 1 117 117 LYS N N 15 124.788 0.300 . 1 . . . . 117 LYS N . 10092 1 1430 . 1 1 118 118 SER H H 1 8.197 0.030 . 1 . . . . 118 SER H . 10092 1 1431 . 1 1 118 118 SER HA H 1 4.413 0.030 . 1 . . . . 118 SER HA . 10092 1 1432 . 1 1 118 118 SER HB2 H 1 3.819 0.030 . 1 . . . . 118 SER HB2 . 10092 1 1433 . 1 1 118 118 SER HB3 H 1 3.819 0.030 . 1 . . . . 118 SER HB3 . 10092 1 1434 . 1 1 118 118 SER C C 13 173.885 0.300 . 1 . . . . 118 SER C . 10092 1 1435 . 1 1 118 118 SER CA C 13 57.990 0.300 . 1 . . . . 118 SER CA . 10092 1 1436 . 1 1 118 118 SER CB C 13 63.949 0.300 . 1 . . . . 118 SER CB . 10092 1 1437 . 1 1 118 118 SER N N 15 117.135 0.300 . 1 . . . . 118 SER N . 10092 1 1438 . 1 1 119 119 LEU H H 1 8.254 0.030 . 1 . . . . 119 LEU H . 10092 1 1439 . 1 1 119 119 LEU HA H 1 4.621 0.030 . 1 . . . . 119 LEU HA . 10092 1 1440 . 1 1 119 119 LEU HB2 H 1 1.533 0.030 . 2 . . . . 119 LEU HB2 . 10092 1 1441 . 1 1 119 119 LEU HB3 H 1 1.578 0.030 . 2 . . . . 119 LEU HB3 . 10092 1 1442 . 1 1 119 119 LEU HG H 1 1.707 0.030 . 1 . . . . 119 LEU HG . 10092 1 1443 . 1 1 119 119 LEU HD11 H 1 0.899 0.030 . 1 . . . . 119 LEU HD1 . 10092 1 1444 . 1 1 119 119 LEU HD12 H 1 0.899 0.030 . 1 . . . . 119 LEU HD1 . 10092 1 1445 . 1 1 119 119 LEU HD13 H 1 0.899 0.030 . 1 . . . . 119 LEU HD1 . 10092 1 1446 . 1 1 119 119 LEU HD21 H 1 0.899 0.030 . 1 . . . . 119 LEU HD2 . 10092 1 1447 . 1 1 119 119 LEU HD22 H 1 0.899 0.030 . 1 . . . . 119 LEU HD2 . 10092 1 1448 . 1 1 119 119 LEU HD23 H 1 0.899 0.030 . 1 . . . . 119 LEU HD2 . 10092 1 1449 . 1 1 119 119 LEU C C 13 174.828 0.300 . 1 . . . . 119 LEU C . 10092 1 1450 . 1 1 119 119 LEU CA C 13 53.011 0.300 . 1 . . . . 119 LEU CA . 10092 1 1451 . 1 1 119 119 LEU CB C 13 41.679 0.300 . 1 . . . . 119 LEU CB . 10092 1 1452 . 1 1 119 119 LEU CG C 13 29.194 0.300 . 1 . . . . 119 LEU CG . 10092 1 1453 . 1 1 119 119 LEU CD1 C 13 23.350 0.300 . 1 . . . . 119 LEU CD1 . 10092 1 1454 . 1 1 119 119 LEU CD2 C 13 23.350 0.300 . 1 . . . . 119 LEU CD2 . 10092 1 1455 . 1 1 119 119 LEU N N 15 125.501 0.300 . 1 . . . . 119 LEU N . 10092 1 1456 . 1 1 120 120 PRO HA H 1 4.701 0.030 . 1 . . . . 120 PRO HA . 10092 1 1457 . 1 1 120 120 PRO HB2 H 1 2.349 0.030 . 2 . . . . 120 PRO HB2 . 10092 1 1458 . 1 1 120 120 PRO HB3 H 1 1.889 0.030 . 2 . . . . 120 PRO HB3 . 10092 1 1459 . 1 1 120 120 PRO HG2 H 1 2.041 0.030 . 2 . . . . 120 PRO HG2 . 10092 1 1460 . 1 1 120 120 PRO HD2 H 1 3.625 0.030 . 2 . . . . 120 PRO HD2 . 10092 1 1461 . 1 1 120 120 PRO HD3 H 1 3.836 0.030 . 2 . . . . 120 PRO HD3 . 10092 1 1462 . 1 1 120 120 PRO CA C 13 61.400 0.300 . 1 . . . . 120 PRO CA . 10092 1 1463 . 1 1 120 120 PRO CB C 13 30.916 0.300 . 1 . . . . 120 PRO CB . 10092 1 1464 . 1 1 120 120 PRO CD C 13 50.593 0.300 . 1 . . . . 120 PRO CD . 10092 1 1465 . 1 1 121 121 PRO HA H 1 4.452 0.030 . 1 . . . . 121 PRO HA . 10092 1 1466 . 1 1 121 121 PRO HB2 H 1 1.947 0.030 . 2 . . . . 121 PRO HB2 . 10092 1 1467 . 1 1 121 121 PRO HB3 H 1 2.298 0.030 . 2 . . . . 121 PRO HB3 . 10092 1 1468 . 1 1 121 121 PRO HG2 H 1 2.017 0.030 . 1 . . . . 121 PRO HG2 . 10092 1 1469 . 1 1 121 121 PRO HG3 H 1 2.017 0.030 . 1 . . . . 121 PRO HG3 . 10092 1 1470 . 1 1 121 121 PRO HD2 H 1 3.810 0.030 . 2 . . . . 121 PRO HD2 . 10092 1 1471 . 1 1 121 121 PRO HD3 H 1 3.661 0.030 . 2 . . . . 121 PRO HD3 . 10092 1 1472 . 1 1 121 121 PRO C C 13 177.040 0.300 . 1 . . . . 121 PRO C . 10092 1 1473 . 1 1 121 121 PRO CA C 13 63.112 0.300 . 1 . . . . 121 PRO CA . 10092 1 1474 . 1 1 121 121 PRO CB C 13 31.999 0.300 . 1 . . . . 121 PRO CB . 10092 1 1475 . 1 1 121 121 PRO CG C 13 27.383 0.300 . 1 . . . . 121 PRO CG . 10092 1 1476 . 1 1 121 121 PRO CD C 13 50.596 0.300 . 1 . . . . 121 PRO CD . 10092 1 1477 . 1 1 122 122 SER H H 1 8.395 0.030 . 1 . . . . 122 SER H . 10092 1 1478 . 1 1 122 122 SER HA H 1 4.450 0.030 . 1 . . . . 122 SER HA . 10092 1 1479 . 1 1 122 122 SER HB2 H 1 3.888 0.030 . 1 . . . . 122 SER HB2 . 10092 1 1480 . 1 1 122 122 SER HB3 H 1 3.888 0.030 . 1 . . . . 122 SER HB3 . 10092 1 1481 . 1 1 122 122 SER C C 13 174.677 0.300 . 1 . . . . 122 SER C . 10092 1 1482 . 1 1 122 122 SER CA C 13 58.281 0.300 . 1 . . . . 122 SER CA . 10092 1 1483 . 1 1 122 122 SER CB C 13 64.195 0.300 . 1 . . . . 122 SER CB . 10092 1 1484 . 1 1 122 122 SER N N 15 115.997 0.300 . 1 . . . . 122 SER N . 10092 1 1485 . 1 1 123 123 GLY H H 1 8.241 0.030 . 1 . . . . 123 GLY H . 10092 1 1486 . 1 1 123 123 GLY HA2 H 1 4.171 0.030 . 2 . . . . 123 GLY HA2 . 10092 1 1487 . 1 1 123 123 GLY HA3 H 1 4.099 0.030 . 2 . . . . 123 GLY HA3 . 10092 1 1488 . 1 1 123 123 GLY C C 13 171.745 0.300 . 1 . . . . 123 GLY C . 10092 1 1489 . 1 1 123 123 GLY CA C 13 44.656 0.300 . 1 . . . . 123 GLY CA . 10092 1 1490 . 1 1 123 123 GLY N N 15 110.618 0.300 . 1 . . . . 123 GLY N . 10092 1 1491 . 1 1 124 124 PRO HA H 1 4.480 0.030 . 1 . . . . 124 PRO HA . 10092 1 1492 . 1 1 124 124 PRO HB2 H 1 2.000 0.030 . 2 . . . . 124 PRO HB2 . 10092 1 1493 . 1 1 124 124 PRO HB3 H 1 2.102 0.030 . 2 . . . . 124 PRO HB3 . 10092 1 1494 . 1 1 124 124 PRO HG2 H 1 2.021 0.030 . 2 . . . . 124 PRO HG2 . 10092 1 1495 . 1 1 124 124 PRO HD2 H 1 3.622 0.030 . 1 . . . . 124 PRO HD2 . 10092 1 1496 . 1 1 124 124 PRO HD3 H 1 3.622 0.030 . 1 . . . . 124 PRO HD3 . 10092 1 1497 . 1 1 124 124 PRO CB C 13 32.913 0.300 . 1 . . . . 124 PRO CB . 10092 1 1498 . 1 1 124 124 PRO CD C 13 49.781 0.300 . 1 . . . . 124 PRO CD . 10092 1 1499 . 1 1 125 125 SER HB2 H 1 3.621 0.030 . 2 . . . . 125 SER HB2 . 10092 1 1500 . 1 1 125 125 SER HB3 H 1 3.797 0.030 . 2 . . . . 125 SER HB3 . 10092 1 stop_ save_