data_10104 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10104 _Entry.Title ; The forkhead associated (FHA) domain like structure from mouse polynucleotide kinase 3'-phosphatase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-13 _Entry.Accession_date 2007-02-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10104 2 S. Koshiba . . . 10104 3 T. Kigawa . . . 10104 4 S. Yokoyama . . . 10104 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' RIKEN 10104 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10104 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 502 10104 '15N chemical shifts' 122 10104 '1H chemical shifts' 814 10104 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-25 2007-02-13 update BMRB 'update entity name' 10104 1 . . 2008-08-15 2007-02-13 original author 'original release' 10104 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UJX 'BMRB Entry Tracking System' 10104 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10104 _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 ; The forkhead associated (FHA) domain like structure from mouse polynucleotide kinase 3'-phosphatase ; _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 T. Tomizawa . . . 10104 1 2 S. Koshiba . . . 10104 1 3 T. Kigawa . . . 10104 1 4 S. Yokoyama . . . 10104 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10104 _Assembly.ID 1 _Assembly.Name 'polynucleotide kinase 3'-phosphatase' _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_ _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 'polynucleotide kinase 3'-phosphatase' 1 $entity_1 . . yes native no no . . . 10104 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1UJX . . . . . . 10104 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10104 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'polynucleotide kinase 3'-phosphatase' _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 ; GSSGSSGMSQLGSRGRLWLQ SPTGGPPPIFLPSDGQALVL GRGPLTQVTDRKCSRNQVEL IADPESRTVAVKQLGVNPST VGVQELKPGLSGSLSLGDVL YLVNGLYPLTLRWSGPSSG ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UJX . "The Forkhead Associated (Fha) Domain Like Structure From Mouse Polynucleotide Kinase 3'-Phosphatase" . . . . . 100.00 119 100.00 100.00 2.78e-74 . . . . 10104 1 2 no PDB 1YJ5 . "Molecular Architecture Of Mammalian Polynucleotide Kinase, A Dna Repair Enzyme" . . . . . 89.92 143 98.13 98.13 6.32e-66 . . . . 10104 1 3 no PDB 1YJM . "Crystal Structure Of The Fha Domain Of Mouse Polynucleotide Kinase In Complex With An Xrcc4-Derived Phosphopeptide" . . . . . 89.92 110 98.13 98.13 4.85e-66 . . . . 10104 1 4 no DBJ BAE43066 . "unnamed protein product [Mus musculus]" . . . . . 89.92 486 98.13 98.13 6.49e-63 . . . . 10104 1 5 no GB AAF36487 . "polynucleotide kinase 3'-phosphatase [Mus musculus]" . . . . . 89.92 494 99.07 99.07 1.61e-63 . . . . 10104 1 6 no GB AAH57659 . "Polynucleotide kinase 3'- phosphatase [Mus musculus]" . . . . . 89.92 522 98.13 98.13 1.09e-62 . . . . 10104 1 7 no GB EDL22761 . "polynucleotide kinase 3'- phosphatase, isoform CRA_b [Mus musculus]" . . . . . 89.92 522 99.07 99.07 3.07e-63 . . . . 10104 1 8 no GB EDL22763 . "polynucleotide kinase 3'- phosphatase, isoform CRA_d, partial [Mus musculus]" . . . . . 89.92 531 99.07 99.07 3.82e-63 . . . . 10104 1 9 no REF NP_001277693 . "bifunctional polynucleotide phosphatase/kinase isoform a [Mus musculus]" . . . . . 89.92 522 99.07 99.07 3.07e-63 . . . . 10104 1 10 no REF NP_001277695 . "bifunctional polynucleotide phosphatase/kinase isoform b [Mus musculus]" . . . . . 89.92 486 99.07 99.07 1.41e-63 . . . . 10104 1 11 no REF NP_067524 . "bifunctional polynucleotide phosphatase/kinase isoform a [Mus musculus]" . . . . . 89.92 522 99.07 99.07 3.07e-63 . . . . 10104 1 12 no REF XP_006541101 . "PREDICTED: bifunctional polynucleotide phosphatase/kinase isoform X1 [Mus musculus]" . . . . . 89.92 608 99.07 99.07 1.59e-62 . . . . 10104 1 13 no REF XP_006541102 . "PREDICTED: bifunctional polynucleotide phosphatase/kinase isoform X2 [Mus musculus]" . . . . . 89.92 636 99.07 99.07 1.59e-62 . . . . 10104 1 14 no SP Q9JLV6 . "RecName: Full=Bifunctional polynucleotide phosphatase/kinase; AltName: Full=DNA 5'-kinase/3'-phosphatase; AltName: Full=Polynuc" . . . . . 89.92 522 98.13 98.13 1.09e-62 . . . . 10104 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FHA domain' . 10104 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 . 10104 1 2 . SER . 10104 1 3 . SER . 10104 1 4 . GLY . 10104 1 5 . SER . 10104 1 6 . SER . 10104 1 7 . GLY . 10104 1 8 . MET . 10104 1 9 . SER . 10104 1 10 . GLN . 10104 1 11 . LEU . 10104 1 12 . GLY . 10104 1 13 . SER . 10104 1 14 . ARG . 10104 1 15 . GLY . 10104 1 16 . ARG . 10104 1 17 . LEU . 10104 1 18 . TRP . 10104 1 19 . LEU . 10104 1 20 . GLN . 10104 1 21 . SER . 10104 1 22 . PRO . 10104 1 23 . THR . 10104 1 24 . GLY . 10104 1 25 . GLY . 10104 1 26 . PRO . 10104 1 27 . PRO . 10104 1 28 . PRO . 10104 1 29 . ILE . 10104 1 30 . PHE . 10104 1 31 . LEU . 10104 1 32 . PRO . 10104 1 33 . SER . 10104 1 34 . ASP . 10104 1 35 . GLY . 10104 1 36 . GLN . 10104 1 37 . ALA . 10104 1 38 . LEU . 10104 1 39 . VAL . 10104 1 40 . LEU . 10104 1 41 . GLY . 10104 1 42 . ARG . 10104 1 43 . GLY . 10104 1 44 . PRO . 10104 1 45 . LEU . 10104 1 46 . THR . 10104 1 47 . GLN . 10104 1 48 . VAL . 10104 1 49 . THR . 10104 1 50 . ASP . 10104 1 51 . ARG . 10104 1 52 . LYS . 10104 1 53 . CYS . 10104 1 54 . SER . 10104 1 55 . ARG . 10104 1 56 . ASN . 10104 1 57 . GLN . 10104 1 58 . VAL . 10104 1 59 . GLU . 10104 1 60 . LEU . 10104 1 61 . ILE . 10104 1 62 . ALA . 10104 1 63 . ASP . 10104 1 64 . PRO . 10104 1 65 . GLU . 10104 1 66 . SER . 10104 1 67 . ARG . 10104 1 68 . THR . 10104 1 69 . VAL . 10104 1 70 . ALA . 10104 1 71 . VAL . 10104 1 72 . LYS . 10104 1 73 . GLN . 10104 1 74 . LEU . 10104 1 75 . GLY . 10104 1 76 . VAL . 10104 1 77 . ASN . 10104 1 78 . PRO . 10104 1 79 . SER . 10104 1 80 . THR . 10104 1 81 . VAL . 10104 1 82 . GLY . 10104 1 83 . VAL . 10104 1 84 . GLN . 10104 1 85 . GLU . 10104 1 86 . LEU . 10104 1 87 . LYS . 10104 1 88 . PRO . 10104 1 89 . GLY . 10104 1 90 . LEU . 10104 1 91 . SER . 10104 1 92 . GLY . 10104 1 93 . SER . 10104 1 94 . LEU . 10104 1 95 . SER . 10104 1 96 . LEU . 10104 1 97 . GLY . 10104 1 98 . ASP . 10104 1 99 . VAL . 10104 1 100 . LEU . 10104 1 101 . TYR . 10104 1 102 . LEU . 10104 1 103 . VAL . 10104 1 104 . ASN . 10104 1 105 . GLY . 10104 1 106 . LEU . 10104 1 107 . TYR . 10104 1 108 . PRO . 10104 1 109 . LEU . 10104 1 110 . THR . 10104 1 111 . LEU . 10104 1 112 . ARG . 10104 1 113 . TRP . 10104 1 114 . SER . 10104 1 115 . GLY . 10104 1 116 . PRO . 10104 1 117 . SER . 10104 1 118 . SER . 10104 1 119 . GLY . 10104 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 10104 1 . SER 2 2 10104 1 . SER 3 3 10104 1 . GLY 4 4 10104 1 . SER 5 5 10104 1 . SER 6 6 10104 1 . GLY 7 7 10104 1 . MET 8 8 10104 1 . SER 9 9 10104 1 . GLN 10 10 10104 1 . LEU 11 11 10104 1 . GLY 12 12 10104 1 . SER 13 13 10104 1 . ARG 14 14 10104 1 . GLY 15 15 10104 1 . ARG 16 16 10104 1 . LEU 17 17 10104 1 . TRP 18 18 10104 1 . LEU 19 19 10104 1 . GLN 20 20 10104 1 . SER 21 21 10104 1 . PRO 22 22 10104 1 . THR 23 23 10104 1 . GLY 24 24 10104 1 . GLY 25 25 10104 1 . PRO 26 26 10104 1 . PRO 27 27 10104 1 . PRO 28 28 10104 1 . ILE 29 29 10104 1 . PHE 30 30 10104 1 . LEU 31 31 10104 1 . PRO 32 32 10104 1 . SER 33 33 10104 1 . ASP 34 34 10104 1 . GLY 35 35 10104 1 . GLN 36 36 10104 1 . ALA 37 37 10104 1 . LEU 38 38 10104 1 . VAL 39 39 10104 1 . LEU 40 40 10104 1 . GLY 41 41 10104 1 . ARG 42 42 10104 1 . GLY 43 43 10104 1 . PRO 44 44 10104 1 . LEU 45 45 10104 1 . THR 46 46 10104 1 . GLN 47 47 10104 1 . VAL 48 48 10104 1 . THR 49 49 10104 1 . ASP 50 50 10104 1 . ARG 51 51 10104 1 . LYS 52 52 10104 1 . CYS 53 53 10104 1 . SER 54 54 10104 1 . ARG 55 55 10104 1 . ASN 56 56 10104 1 . GLN 57 57 10104 1 . VAL 58 58 10104 1 . GLU 59 59 10104 1 . LEU 60 60 10104 1 . ILE 61 61 10104 1 . ALA 62 62 10104 1 . ASP 63 63 10104 1 . PRO 64 64 10104 1 . GLU 65 65 10104 1 . SER 66 66 10104 1 . ARG 67 67 10104 1 . THR 68 68 10104 1 . VAL 69 69 10104 1 . ALA 70 70 10104 1 . VAL 71 71 10104 1 . LYS 72 72 10104 1 . GLN 73 73 10104 1 . LEU 74 74 10104 1 . GLY 75 75 10104 1 . VAL 76 76 10104 1 . ASN 77 77 10104 1 . PRO 78 78 10104 1 . SER 79 79 10104 1 . THR 80 80 10104 1 . VAL 81 81 10104 1 . GLY 82 82 10104 1 . VAL 83 83 10104 1 . GLN 84 84 10104 1 . GLU 85 85 10104 1 . LEU 86 86 10104 1 . LYS 87 87 10104 1 . PRO 88 88 10104 1 . GLY 89 89 10104 1 . LEU 90 90 10104 1 . SER 91 91 10104 1 . GLY 92 92 10104 1 . SER 93 93 10104 1 . LEU 94 94 10104 1 . SER 95 95 10104 1 . LEU 96 96 10104 1 . GLY 97 97 10104 1 . ASP 98 98 10104 1 . VAL 99 99 10104 1 . LEU 100 100 10104 1 . TYR 101 101 10104 1 . LEU 102 102 10104 1 . VAL 103 103 10104 1 . ASN 104 104 10104 1 . GLY 105 105 10104 1 . LEU 106 106 10104 1 . TYR 107 107 10104 1 . PRO 108 108 10104 1 . LEU 109 109 10104 1 . THR 110 110 10104 1 . LEU 111 111 10104 1 . ARG 112 112 10104 1 . TRP 113 113 10104 1 . SER 114 114 10104 1 . GLY 115 115 10104 1 . PRO 116 116 10104 1 . SER 117 117 10104 1 . SER 118 118 10104 1 . GLY 119 119 10104 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 10104 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10104 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 10104 _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 . . P030107-24 . . . . . . 10104 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10104 _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 'FHA domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.16 . . mM . . . . 10104 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10104 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10104 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10104 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10104 1 6 H2O . . . . . . solvent 90 . . % . . . . 10104 1 7 D2O . . . . . . solvent 10 . . % . . . . 10104 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 10104 _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 10104 1 pH 6.0 0.05 pH 10104 1 pressure 1 0.001 atm 10104 1 temperature 298 0.1 K 10104 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 10104 _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 Biospin' . . 10104 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10104 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 10104 _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, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 10104 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10104 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 10104 _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, One Moon Scientific' . . 10104 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10104 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 10104 _Software.ID 4 _Software.Name Kujira _Software.Version 0.851 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10104 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10104 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 10104 _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, Mumenthaler and Wuthrich' . . 10104 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10104 5 'structure solution' 10104 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10104 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10104 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 10104 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10104 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10104 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10104 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10104 _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 . . . . . . . . . 10104 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10104 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10104 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 10104 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10104 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10104 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.925 0.030 . 1 . . . . 1 GLY HA2 . 10104 1 2 . 1 1 1 1 GLY HA3 H 1 3.925 0.030 . 1 . . . . 1 GLY HA3 . 10104 1 3 . 1 1 1 1 GLY CA C 13 43.521 0.300 . 1 . . . . 1 GLY CA . 10104 1 4 . 1 1 2 2 SER HA H 1 4.590 0.030 . 1 . . . . 2 SER HA . 10104 1 5 . 1 1 2 2 SER HB2 H 1 3.939 0.030 . 1 . . . . 2 SER HB2 . 10104 1 6 . 1 1 2 2 SER HB3 H 1 3.939 0.030 . 1 . . . . 2 SER HB3 . 10104 1 7 . 1 1 2 2 SER C C 13 174.772 0.300 . 1 . . . . 2 SER C . 10104 1 8 . 1 1 2 2 SER CA C 13 58.350 0.300 . 1 . . . . 2 SER CA . 10104 1 9 . 1 1 2 2 SER CB C 13 64.008 0.300 . 1 . . . . 2 SER CB . 10104 1 10 . 1 1 3 3 SER H H 1 8.588 0.030 . 1 . . . . 3 SER H . 10104 1 11 . 1 1 3 3 SER HA H 1 4.521 0.030 . 1 . . . . 3 SER HA . 10104 1 12 . 1 1 3 3 SER HB2 H 1 3.912 0.030 . 1 . . . . 3 SER HB2 . 10104 1 13 . 1 1 3 3 SER HB3 H 1 3.912 0.030 . 1 . . . . 3 SER HB3 . 10104 1 14 . 1 1 3 3 SER C C 13 175.087 0.300 . 1 . . . . 3 SER C . 10104 1 15 . 1 1 3 3 SER CA C 13 58.631 0.300 . 1 . . . . 3 SER CA . 10104 1 16 . 1 1 3 3 SER CB C 13 63.862 0.300 . 1 . . . . 3 SER CB . 10104 1 17 . 1 1 3 3 SER N N 15 118.156 0.300 . 1 . . . . 3 SER N . 10104 1 18 . 1 1 4 4 GLY H H 1 8.480 0.030 . 1 . . . . 4 GLY H . 10104 1 19 . 1 1 4 4 GLY HA2 H 1 4.041 0.030 . 1 . . . . 4 GLY HA2 . 10104 1 20 . 1 1 4 4 GLY HA3 H 1 4.041 0.030 . 1 . . . . 4 GLY HA3 . 10104 1 21 . 1 1 4 4 GLY C C 13 174.432 0.300 . 1 . . . . 4 GLY C . 10104 1 22 . 1 1 4 4 GLY CA C 13 45.468 0.300 . 1 . . . . 4 GLY CA . 10104 1 23 . 1 1 4 4 GLY N N 15 110.943 0.300 . 1 . . . . 4 GLY N . 10104 1 24 . 1 1 5 5 SER H H 1 8.291 0.030 . 1 . . . . 5 SER H . 10104 1 25 . 1 1 5 5 SER HA H 1 4.541 0.030 . 1 . . . . 5 SER HA . 10104 1 26 . 1 1 5 5 SER HB2 H 1 3.912 0.030 . 1 . . . . 5 SER HB2 . 10104 1 27 . 1 1 5 5 SER HB3 H 1 3.912 0.030 . 1 . . . . 5 SER HB3 . 10104 1 28 . 1 1 5 5 SER C C 13 174.978 0.300 . 1 . . . . 5 SER C . 10104 1 29 . 1 1 5 5 SER CA C 13 58.420 0.300 . 1 . . . . 5 SER CA . 10104 1 30 . 1 1 5 5 SER CB C 13 63.820 0.300 . 1 . . . . 5 SER CB . 10104 1 31 . 1 1 5 5 SER N N 15 115.818 0.300 . 1 . . . . 5 SER N . 10104 1 32 . 1 1 6 6 SER H H 1 8.452 0.030 . 1 . . . . 6 SER H . 10104 1 33 . 1 1 6 6 SER HA H 1 4.527 0.030 . 1 . . . . 6 SER HA . 10104 1 34 . 1 1 6 6 SER HB2 H 1 3.952 0.030 . 1 . . . . 6 SER HB2 . 10104 1 35 . 1 1 6 6 SER HB3 H 1 3.952 0.030 . 1 . . . . 6 SER HB3 . 10104 1 36 . 1 1 6 6 SER C C 13 175.208 0.300 . 1 . . . . 6 SER C . 10104 1 37 . 1 1 6 6 SER CA C 13 58.772 0.300 . 1 . . . . 6 SER CA . 10104 1 38 . 1 1 6 6 SER CB C 13 63.802 0.300 . 1 . . . . 6 SER CB . 10104 1 39 . 1 1 6 6 SER N N 15 117.921 0.300 . 1 . . . . 6 SER N . 10104 1 40 . 1 1 7 7 GLY H H 1 8.438 0.030 . 1 . . . . 7 GLY H . 10104 1 41 . 1 1 7 7 GLY HA2 H 1 3.991 0.030 . 1 . . . . 7 GLY HA2 . 10104 1 42 . 1 1 7 7 GLY HA3 H 1 3.991 0.030 . 1 . . . . 7 GLY HA3 . 10104 1 43 . 1 1 7 7 GLY C C 13 174.407 0.300 . 1 . . . . 7 GLY C . 10104 1 44 . 1 1 7 7 GLY CA C 13 45.536 0.300 . 1 . . . . 7 GLY CA . 10104 1 45 . 1 1 7 7 GLY N N 15 110.670 0.300 . 1 . . . . 7 GLY N . 10104 1 46 . 1 1 8 8 MET H H 1 8.196 0.030 . 1 . . . . 8 MET H . 10104 1 47 . 1 1 8 8 MET HA H 1 4.511 0.030 . 1 . . . . 8 MET HA . 10104 1 48 . 1 1 8 8 MET HB2 H 1 2.111 0.030 . 2 . . . . 8 MET HB2 . 10104 1 49 . 1 1 8 8 MET HB3 H 1 2.016 0.030 . 2 . . . . 8 MET HB3 . 10104 1 50 . 1 1 8 8 MET HG2 H 1 2.607 0.030 . 2 . . . . 8 MET HG2 . 10104 1 51 . 1 1 8 8 MET HG3 H 1 2.530 0.030 . 2 . . . . 8 MET HG3 . 10104 1 52 . 1 1 8 8 MET HE1 H 1 2.075 0.030 . 1 . . . . 8 MET HE . 10104 1 53 . 1 1 8 8 MET HE2 H 1 2.075 0.030 . 1 . . . . 8 MET HE . 10104 1 54 . 1 1 8 8 MET HE3 H 1 2.075 0.030 . 1 . . . . 8 MET HE . 10104 1 55 . 1 1 8 8 MET C C 13 176.663 0.300 . 1 . . . . 8 MET C . 10104 1 56 . 1 1 8 8 MET CA C 13 55.685 0.300 . 1 . . . . 8 MET CA . 10104 1 57 . 1 1 8 8 MET CB C 13 32.907 0.300 . 1 . . . . 8 MET CB . 10104 1 58 . 1 1 8 8 MET CG C 13 32.037 0.300 . 1 . . . . 8 MET CG . 10104 1 59 . 1 1 8 8 MET CE C 13 17.029 0.300 . 1 . . . . 8 MET CE . 10104 1 60 . 1 1 8 8 MET N N 15 119.748 0.300 . 1 . . . . 8 MET N . 10104 1 61 . 1 1 9 9 SER H H 1 8.351 0.030 . 1 . . . . 9 SER H . 10104 1 62 . 1 1 9 9 SER HA H 1 4.423 0.030 . 1 . . . . 9 SER HA . 10104 1 63 . 1 1 9 9 SER HB2 H 1 3.898 0.030 . 1 . . . . 9 SER HB2 . 10104 1 64 . 1 1 9 9 SER HB3 H 1 3.898 0.030 . 1 . . . . 9 SER HB3 . 10104 1 65 . 1 1 9 9 SER C C 13 174.796 0.300 . 1 . . . . 9 SER C . 10104 1 66 . 1 1 9 9 SER CA C 13 58.754 0.300 . 1 . . . . 9 SER CA . 10104 1 67 . 1 1 9 9 SER CB C 13 63.603 0.300 . 1 . . . . 9 SER CB . 10104 1 68 . 1 1 9 9 SER N N 15 116.919 0.300 . 1 . . . . 9 SER N . 10104 1 69 . 1 1 10 10 GLN H H 1 8.458 0.030 . 1 . . . . 10 GLN H . 10104 1 70 . 1 1 10 10 GLN HA H 1 4.366 0.030 . 1 . . . . 10 GLN HA . 10104 1 71 . 1 1 10 10 GLN HB2 H 1 2.151 0.030 . 2 . . . . 10 GLN HB2 . 10104 1 72 . 1 1 10 10 GLN HB3 H 1 1.978 0.030 . 2 . . . . 10 GLN HB3 . 10104 1 73 . 1 1 10 10 GLN HG2 H 1 2.364 0.030 . 1 . . . . 10 GLN HG2 . 10104 1 74 . 1 1 10 10 GLN HG3 H 1 2.364 0.030 . 1 . . . . 10 GLN HG3 . 10104 1 75 . 1 1 10 10 GLN HE21 H 1 6.852 0.030 . 2 . . . . 10 GLN HE21 . 10104 1 76 . 1 1 10 10 GLN HE22 H 1 7.508 0.030 . 2 . . . . 10 GLN HE22 . 10104 1 77 . 1 1 10 10 GLN C C 13 176.275 0.300 . 1 . . . . 10 GLN C . 10104 1 78 . 1 1 10 10 GLN CA C 13 55.983 0.300 . 1 . . . . 10 GLN CA . 10104 1 79 . 1 1 10 10 GLN CB C 13 29.193 0.300 . 1 . . . . 10 GLN CB . 10104 1 80 . 1 1 10 10 GLN CG C 13 33.856 0.300 . 1 . . . . 10 GLN CG . 10104 1 81 . 1 1 10 10 GLN N N 15 122.109 0.300 . 1 . . . . 10 GLN N . 10104 1 82 . 1 1 10 10 GLN NE2 N 15 112.431 0.300 . 1 . . . . 10 GLN NE2 . 10104 1 83 . 1 1 11 11 LEU H H 1 8.246 0.030 . 1 . . . . 11 LEU H . 10104 1 84 . 1 1 11 11 LEU HA H 1 4.295 0.030 . 1 . . . . 11 LEU HA . 10104 1 85 . 1 1 11 11 LEU HB2 H 1 1.674 0.030 . 2 . . . . 11 LEU HB2 . 10104 1 86 . 1 1 11 11 LEU HB3 H 1 1.589 0.030 . 2 . . . . 11 LEU HB3 . 10104 1 87 . 1 1 11 11 LEU HG H 1 1.615 0.030 . 1 . . . . 11 LEU HG . 10104 1 88 . 1 1 11 11 LEU HD11 H 1 0.908 0.030 . 1 . . . . 11 LEU HD1 . 10104 1 89 . 1 1 11 11 LEU HD12 H 1 0.908 0.030 . 1 . . . . 11 LEU HD1 . 10104 1 90 . 1 1 11 11 LEU HD13 H 1 0.908 0.030 . 1 . . . . 11 LEU HD1 . 10104 1 91 . 1 1 11 11 LEU HD21 H 1 0.852 0.030 . 1 . . . . 11 LEU HD2 . 10104 1 92 . 1 1 11 11 LEU HD22 H 1 0.852 0.030 . 1 . . . . 11 LEU HD2 . 10104 1 93 . 1 1 11 11 LEU HD23 H 1 0.852 0.030 . 1 . . . . 11 LEU HD2 . 10104 1 94 . 1 1 11 11 LEU C C 13 178.179 0.300 . 1 . . . . 11 LEU C . 10104 1 95 . 1 1 11 11 LEU CA C 13 55.829 0.300 . 1 . . . . 11 LEU CA . 10104 1 96 . 1 1 11 11 LEU CB C 13 42.318 0.300 . 1 . . . . 11 LEU CB . 10104 1 97 . 1 1 11 11 LEU CG C 13 26.927 0.300 . 1 . . . . 11 LEU CG . 10104 1 98 . 1 1 11 11 LEU CD1 C 13 25.110 0.300 . 2 . . . . 11 LEU CD1 . 10104 1 99 . 1 1 11 11 LEU CD2 C 13 23.478 0.300 . 2 . . . . 11 LEU CD2 . 10104 1 100 . 1 1 11 11 LEU N N 15 122.742 0.300 . 1 . . . . 11 LEU N . 10104 1 101 . 1 1 12 12 GLY H H 1 8.423 0.030 . 1 . . . . 12 GLY H . 10104 1 102 . 1 1 12 12 GLY HA2 H 1 3.992 0.030 . 1 . . . . 12 GLY HA2 . 10104 1 103 . 1 1 12 12 GLY HA3 H 1 3.992 0.030 . 1 . . . . 12 GLY HA3 . 10104 1 104 . 1 1 12 12 GLY C C 13 174.565 0.300 . 1 . . . . 12 GLY C . 10104 1 105 . 1 1 12 12 GLY CA C 13 45.561 0.300 . 1 . . . . 12 GLY CA . 10104 1 106 . 1 1 12 12 GLY N N 15 109.190 0.300 . 1 . . . . 12 GLY N . 10104 1 107 . 1 1 13 13 SER H H 1 8.198 0.030 . 1 . . . . 13 SER H . 10104 1 108 . 1 1 13 13 SER HA H 1 4.484 0.030 . 1 . . . . 13 SER HA . 10104 1 109 . 1 1 13 13 SER HB2 H 1 3.965 0.030 . 2 . . . . 13 SER HB2 . 10104 1 110 . 1 1 13 13 SER HB3 H 1 3.901 0.030 . 2 . . . . 13 SER HB3 . 10104 1 111 . 1 1 13 13 SER C C 13 174.832 0.300 . 1 . . . . 13 SER C . 10104 1 112 . 1 1 13 13 SER CA C 13 58.843 0.300 . 1 . . . . 13 SER CA . 10104 1 113 . 1 1 13 13 SER CB C 13 63.861 0.300 . 1 . . . . 13 SER CB . 10104 1 114 . 1 1 13 13 SER N N 15 115.246 0.300 . 1 . . . . 13 SER N . 10104 1 115 . 1 1 14 14 ARG H H 1 8.333 0.030 . 1 . . . . 14 ARG H . 10104 1 116 . 1 1 14 14 ARG HA H 1 4.531 0.030 . 1 . . . . 14 ARG HA . 10104 1 117 . 1 1 14 14 ARG HB2 H 1 1.903 0.030 . 2 . . . . 14 ARG HB2 . 10104 1 118 . 1 1 14 14 ARG HB3 H 1 2.051 0.030 . 2 . . . . 14 ARG HB3 . 10104 1 119 . 1 1 14 14 ARG HG2 H 1 1.799 0.030 . 2 . . . . 14 ARG HG2 . 10104 1 120 . 1 1 14 14 ARG HG3 H 1 1.762 0.030 . 2 . . . . 14 ARG HG3 . 10104 1 121 . 1 1 14 14 ARG HD2 H 1 3.265 0.030 . 1 . . . . 14 ARG HD2 . 10104 1 122 . 1 1 14 14 ARG HD3 H 1 3.265 0.030 . 1 . . . . 14 ARG HD3 . 10104 1 123 . 1 1 14 14 ARG C C 13 176.603 0.300 . 1 . . . . 14 ARG C . 10104 1 124 . 1 1 14 14 ARG CA C 13 56.211 0.300 . 1 . . . . 14 ARG CA . 10104 1 125 . 1 1 14 14 ARG CB C 13 31.270 0.300 . 1 . . . . 14 ARG CB . 10104 1 126 . 1 1 14 14 ARG CG C 13 27.240 0.300 . 1 . . . . 14 ARG CG . 10104 1 127 . 1 1 14 14 ARG CD C 13 43.600 0.300 . 1 . . . . 14 ARG CD . 10104 1 128 . 1 1 14 14 ARG N N 15 121.703 0.300 . 1 . . . . 14 ARG N . 10104 1 129 . 1 1 15 15 GLY H H 1 8.253 0.030 . 1 . . . . 15 GLY H . 10104 1 130 . 1 1 15 15 GLY HA2 H 1 3.765 0.030 . 2 . . . . 15 GLY HA2 . 10104 1 131 . 1 1 15 15 GLY HA3 H 1 3.718 0.030 . 2 . . . . 15 GLY HA3 . 10104 1 132 . 1 1 15 15 GLY C C 13 172.406 0.300 . 1 . . . . 15 GLY C . 10104 1 133 . 1 1 15 15 GLY CA C 13 44.958 0.300 . 1 . . . . 15 GLY CA . 10104 1 134 . 1 1 15 15 GLY N N 15 108.330 0.300 . 1 . . . . 15 GLY N . 10104 1 135 . 1 1 16 16 ARG H H 1 7.999 0.030 . 1 . . . . 16 ARG H . 10104 1 136 . 1 1 16 16 ARG HA H 1 4.693 0.030 . 1 . . . . 16 ARG HA . 10104 1 137 . 1 1 16 16 ARG HB2 H 1 1.724 0.030 . 2 . . . . 16 ARG HB2 . 10104 1 138 . 1 1 16 16 ARG HB3 H 1 2.003 0.030 . 2 . . . . 16 ARG HB3 . 10104 1 139 . 1 1 16 16 ARG HG2 H 1 1.586 0.030 . 1 . . . . 16 ARG HG2 . 10104 1 140 . 1 1 16 16 ARG HG3 H 1 1.586 0.030 . 1 . . . . 16 ARG HG3 . 10104 1 141 . 1 1 16 16 ARG HD2 H 1 2.958 0.030 . 1 . . . . 16 ARG HD2 . 10104 1 142 . 1 1 16 16 ARG HD3 H 1 2.958 0.030 . 1 . . . . 16 ARG HD3 . 10104 1 143 . 1 1 16 16 ARG HE H 1 6.929 0.030 . 1 . . . . 16 ARG HE . 10104 1 144 . 1 1 16 16 ARG C C 13 174.953 0.300 . 1 . . . . 16 ARG C . 10104 1 145 . 1 1 16 16 ARG CA C 13 54.895 0.300 . 1 . . . . 16 ARG CA . 10104 1 146 . 1 1 16 16 ARG CB C 13 34.542 0.300 . 1 . . . . 16 ARG CB . 10104 1 147 . 1 1 16 16 ARG CG C 13 26.413 0.300 . 1 . . . . 16 ARG CG . 10104 1 148 . 1 1 16 16 ARG CD C 13 43.566 0.300 . 1 . . . . 16 ARG CD . 10104 1 149 . 1 1 16 16 ARG N N 15 117.507 0.300 . 1 . . . . 16 ARG N . 10104 1 150 . 1 1 16 16 ARG NE N 15 83.635 0.300 . 1 . . . . 16 ARG NE . 10104 1 151 . 1 1 17 17 LEU H H 1 9.067 0.030 . 1 . . . . 17 LEU H . 10104 1 152 . 1 1 17 17 LEU HA H 1 5.497 0.030 . 1 . . . . 17 LEU HA . 10104 1 153 . 1 1 17 17 LEU HB2 H 1 1.855 0.030 . 2 . . . . 17 LEU HB2 . 10104 1 154 . 1 1 17 17 LEU HB3 H 1 1.424 0.030 . 2 . . . . 17 LEU HB3 . 10104 1 155 . 1 1 17 17 LEU HG H 1 2.081 0.030 . 1 . . . . 17 LEU HG . 10104 1 156 . 1 1 17 17 LEU HD11 H 1 0.896 0.030 . 1 . . . . 17 LEU HD1 . 10104 1 157 . 1 1 17 17 LEU HD12 H 1 0.896 0.030 . 1 . . . . 17 LEU HD1 . 10104 1 158 . 1 1 17 17 LEU HD13 H 1 0.896 0.030 . 1 . . . . 17 LEU HD1 . 10104 1 159 . 1 1 17 17 LEU HD21 H 1 1.026 0.030 . 1 . . . . 17 LEU HD2 . 10104 1 160 . 1 1 17 17 LEU HD22 H 1 1.026 0.030 . 1 . . . . 17 LEU HD2 . 10104 1 161 . 1 1 17 17 LEU HD23 H 1 1.026 0.030 . 1 . . . . 17 LEU HD2 . 10104 1 162 . 1 1 17 17 LEU C C 13 176.202 0.300 . 1 . . . . 17 LEU C . 10104 1 163 . 1 1 17 17 LEU CA C 13 53.750 0.300 . 1 . . . . 17 LEU CA . 10104 1 164 . 1 1 17 17 LEU CB C 13 44.442 0.300 . 1 . . . . 17 LEU CB . 10104 1 165 . 1 1 17 17 LEU CG C 13 27.184 0.300 . 1 . . . . 17 LEU CG . 10104 1 166 . 1 1 17 17 LEU CD1 C 13 27.159 0.300 . 2 . . . . 17 LEU CD1 . 10104 1 167 . 1 1 17 17 LEU CD2 C 13 24.710 0.300 . 2 . . . . 17 LEU CD2 . 10104 1 168 . 1 1 17 17 LEU N N 15 123.352 0.300 . 1 . . . . 17 LEU N . 10104 1 169 . 1 1 18 18 TRP H H 1 8.849 0.030 . 1 . . . . 18 TRP H . 10104 1 170 . 1 1 18 18 TRP HA H 1 5.199 0.030 . 1 . . . . 18 TRP HA . 10104 1 171 . 1 1 18 18 TRP HB2 H 1 2.114 0.030 . 2 . . . . 18 TRP HB2 . 10104 1 172 . 1 1 18 18 TRP HB3 H 1 2.646 0.030 . 2 . . . . 18 TRP HB3 . 10104 1 173 . 1 1 18 18 TRP HD1 H 1 6.875 0.030 . 1 . . . . 18 TRP HD1 . 10104 1 174 . 1 1 18 18 TRP HE1 H 1 9.658 0.030 . 1 . . . . 18 TRP HE1 . 10104 1 175 . 1 1 18 18 TRP HE3 H 1 6.927 0.030 . 1 . . . . 18 TRP HE3 . 10104 1 176 . 1 1 18 18 TRP HZ2 H 1 7.353 0.030 . 1 . . . . 18 TRP HZ2 . 10104 1 177 . 1 1 18 18 TRP HZ3 H 1 6.823 0.030 . 1 . . . . 18 TRP HZ3 . 10104 1 178 . 1 1 18 18 TRP HH2 H 1 7.079 0.030 . 1 . . . . 18 TRP HH2 . 10104 1 179 . 1 1 18 18 TRP C C 13 172.844 0.300 . 1 . . . . 18 TRP C . 10104 1 180 . 1 1 18 18 TRP CA C 13 54.488 0.300 . 1 . . . . 18 TRP CA . 10104 1 181 . 1 1 18 18 TRP CB C 13 31.042 0.300 . 1 . . . . 18 TRP CB . 10104 1 182 . 1 1 18 18 TRP CD1 C 13 127.642 0.300 . 1 . . . . 18 TRP CD1 . 10104 1 183 . 1 1 18 18 TRP CE3 C 13 119.777 0.300 . 1 . . . . 18 TRP CE3 . 10104 1 184 . 1 1 18 18 TRP CZ2 C 13 114.662 0.300 . 1 . . . . 18 TRP CZ2 . 10104 1 185 . 1 1 18 18 TRP CZ3 C 13 120.662 0.300 . 1 . . . . 18 TRP CZ3 . 10104 1 186 . 1 1 18 18 TRP CH2 C 13 123.854 0.300 . 1 . . . . 18 TRP CH2 . 10104 1 187 . 1 1 18 18 TRP N N 15 118.295 0.300 . 1 . . . . 18 TRP N . 10104 1 188 . 1 1 18 18 TRP NE1 N 15 130.351 0.300 . 1 . . . . 18 TRP NE1 . 10104 1 189 . 1 1 19 19 LEU H H 1 9.023 0.030 . 1 . . . . 19 LEU H . 10104 1 190 . 1 1 19 19 LEU HA H 1 4.901 0.030 . 1 . . . . 19 LEU HA . 10104 1 191 . 1 1 19 19 LEU HB2 H 1 1.259 0.030 . 2 . . . . 19 LEU HB2 . 10104 1 192 . 1 1 19 19 LEU HB3 H 1 1.778 0.030 . 2 . . . . 19 LEU HB3 . 10104 1 193 . 1 1 19 19 LEU HG H 1 1.404 0.030 . 1 . . . . 19 LEU HG . 10104 1 194 . 1 1 19 19 LEU HD11 H 1 0.531 0.030 . 1 . . . . 19 LEU HD1 . 10104 1 195 . 1 1 19 19 LEU HD12 H 1 0.531 0.030 . 1 . . . . 19 LEU HD1 . 10104 1 196 . 1 1 19 19 LEU HD13 H 1 0.531 0.030 . 1 . . . . 19 LEU HD1 . 10104 1 197 . 1 1 19 19 LEU HD21 H 1 0.710 0.030 . 1 . . . . 19 LEU HD2 . 10104 1 198 . 1 1 19 19 LEU HD22 H 1 0.710 0.030 . 1 . . . . 19 LEU HD2 . 10104 1 199 . 1 1 19 19 LEU HD23 H 1 0.710 0.030 . 1 . . . . 19 LEU HD2 . 10104 1 200 . 1 1 19 19 LEU C C 13 175.827 0.300 . 1 . . . . 19 LEU C . 10104 1 201 . 1 1 19 19 LEU CA C 13 52.436 0.300 . 1 . . . . 19 LEU CA . 10104 1 202 . 1 1 19 19 LEU CB C 13 44.411 0.300 . 1 . . . . 19 LEU CB . 10104 1 203 . 1 1 19 19 LEU CG C 13 26.215 0.300 . 1 . . . . 19 LEU CG . 10104 1 204 . 1 1 19 19 LEU CD1 C 13 22.614 0.300 . 2 . . . . 19 LEU CD1 . 10104 1 205 . 1 1 19 19 LEU CD2 C 13 27.042 0.300 . 2 . . . . 19 LEU CD2 . 10104 1 206 . 1 1 19 19 LEU N N 15 117.168 0.300 . 1 . . . . 19 LEU N . 10104 1 207 . 1 1 20 20 GLN H H 1 9.376 0.030 . 1 . . . . 20 GLN H . 10104 1 208 . 1 1 20 20 GLN HA H 1 4.809 0.030 . 1 . . . . 20 GLN HA . 10104 1 209 . 1 1 20 20 GLN HB2 H 1 1.576 0.030 . 2 . . . . 20 GLN HB2 . 10104 1 210 . 1 1 20 20 GLN HB3 H 1 1.819 0.030 . 2 . . . . 20 GLN HB3 . 10104 1 211 . 1 1 20 20 GLN HG2 H 1 2.665 0.030 . 2 . . . . 20 GLN HG2 . 10104 1 212 . 1 1 20 20 GLN HG3 H 1 2.624 0.030 . 2 . . . . 20 GLN HG3 . 10104 1 213 . 1 1 20 20 GLN HE21 H 1 7.804 0.030 . 2 . . . . 20 GLN HE21 . 10104 1 214 . 1 1 20 20 GLN HE22 H 1 6.952 0.030 . 2 . . . . 20 GLN HE22 . 10104 1 215 . 1 1 20 20 GLN C C 13 175.825 0.300 . 1 . . . . 20 GLN C . 10104 1 216 . 1 1 20 20 GLN CA C 13 54.552 0.300 . 1 . . . . 20 GLN CA . 10104 1 217 . 1 1 20 20 GLN CB C 13 31.806 0.300 . 1 . . . . 20 GLN CB . 10104 1 218 . 1 1 20 20 GLN CG C 13 33.252 0.300 . 1 . . . . 20 GLN CG . 10104 1 219 . 1 1 20 20 GLN N N 15 127.638 0.300 . 1 . . . . 20 GLN N . 10104 1 220 . 1 1 20 20 GLN NE2 N 15 112.149 0.300 . 1 . . . . 20 GLN NE2 . 10104 1 221 . 1 1 21 21 SER H H 1 9.492 0.030 . 1 . . . . 21 SER H . 10104 1 222 . 1 1 21 21 SER HA H 1 5.113 0.030 . 1 . . . . 21 SER HA . 10104 1 223 . 1 1 21 21 SER HB2 H 1 3.952 0.030 . 2 . . . . 21 SER HB2 . 10104 1 224 . 1 1 21 21 SER HB3 H 1 4.054 0.030 . 2 . . . . 21 SER HB3 . 10104 1 225 . 1 1 21 21 SER C C 13 171.372 0.300 . 1 . . . . 21 SER C . 10104 1 226 . 1 1 21 21 SER CA C 13 58.713 0.300 . 1 . . . . 21 SER CA . 10104 1 227 . 1 1 21 21 SER CB C 13 62.813 0.300 . 1 . . . . 21 SER CB . 10104 1 228 . 1 1 21 21 SER N N 15 127.920 0.300 . 1 . . . . 21 SER N . 10104 1 229 . 1 1 22 22 PRO HA H 1 4.560 0.030 . 1 . . . . 22 PRO HA . 10104 1 230 . 1 1 22 22 PRO HB2 H 1 1.931 0.030 . 2 . . . . 22 PRO HB2 . 10104 1 231 . 1 1 22 22 PRO HB3 H 1 2.449 0.030 . 2 . . . . 22 PRO HB3 . 10104 1 232 . 1 1 22 22 PRO HG2 H 1 2.163 0.030 . 2 . . . . 22 PRO HG2 . 10104 1 233 . 1 1 22 22 PRO HG3 H 1 2.010 0.030 . 2 . . . . 22 PRO HG3 . 10104 1 234 . 1 1 22 22 PRO HD2 H 1 3.745 0.030 . 2 . . . . 22 PRO HD2 . 10104 1 235 . 1 1 22 22 PRO HD3 H 1 4.194 0.030 . 2 . . . . 22 PRO HD3 . 10104 1 236 . 1 1 22 22 PRO C C 13 175.426 0.300 . 1 . . . . 22 PRO C . 10104 1 237 . 1 1 22 22 PRO CA C 13 62.735 0.300 . 1 . . . . 22 PRO CA . 10104 1 238 . 1 1 22 22 PRO CB C 13 32.411 0.300 . 1 . . . . 22 PRO CB . 10104 1 239 . 1 1 22 22 PRO CG C 13 28.134 0.300 . 1 . . . . 22 PRO CG . 10104 1 240 . 1 1 22 22 PRO CD C 13 50.842 0.300 . 1 . . . . 22 PRO CD . 10104 1 241 . 1 1 23 23 THR H H 1 8.320 0.030 . 1 . . . . 23 THR H . 10104 1 242 . 1 1 23 23 THR HA H 1 3.992 0.030 . 1 . . . . 23 THR HA . 10104 1 243 . 1 1 23 23 THR HB H 1 4.020 0.030 . 1 . . . . 23 THR HB . 10104 1 244 . 1 1 23 23 THR HG21 H 1 1.290 0.030 . 1 . . . . 23 THR HG2 . 10104 1 245 . 1 1 23 23 THR HG22 H 1 1.290 0.030 . 1 . . . . 23 THR HG2 . 10104 1 246 . 1 1 23 23 THR HG23 H 1 1.290 0.030 . 1 . . . . 23 THR HG2 . 10104 1 247 . 1 1 23 23 THR C C 13 175.426 0.300 . 1 . . . . 23 THR C . 10104 1 248 . 1 1 23 23 THR CA C 13 65.010 0.300 . 1 . . . . 23 THR CA . 10104 1 249 . 1 1 23 23 THR CB C 13 69.045 0.300 . 1 . . . . 23 THR CB . 10104 1 250 . 1 1 23 23 THR CG2 C 13 21.801 0.300 . 1 . . . . 23 THR CG2 . 10104 1 251 . 1 1 23 23 THR N N 15 116.949 0.300 . 1 . . . . 23 THR N . 10104 1 252 . 1 1 24 24 GLY H H 1 9.058 0.030 . 1 . . . . 24 GLY H . 10104 1 253 . 1 1 24 24 GLY HA2 H 1 4.367 0.030 . 2 . . . . 24 GLY HA2 . 10104 1 254 . 1 1 24 24 GLY HA3 H 1 3.769 0.030 . 2 . . . . 24 GLY HA3 . 10104 1 255 . 1 1 24 24 GLY C C 13 174.856 0.300 . 1 . . . . 24 GLY C . 10104 1 256 . 1 1 24 24 GLY CA C 13 45.117 0.300 . 1 . . . . 24 GLY CA . 10104 1 257 . 1 1 24 24 GLY N N 15 117.059 0.300 . 1 . . . . 24 GLY N . 10104 1 258 . 1 1 25 25 GLY H H 1 8.446 0.030 . 1 . . . . 25 GLY H . 10104 1 259 . 1 1 25 25 GLY HA2 H 1 4.435 0.030 . 2 . . . . 25 GLY HA2 . 10104 1 260 . 1 1 25 25 GLY HA3 H 1 3.899 0.030 . 2 . . . . 25 GLY HA3 . 10104 1 261 . 1 1 25 25 GLY C C 13 171.056 0.300 . 1 . . . . 25 GLY C . 10104 1 262 . 1 1 25 25 GLY CA C 13 44.412 0.300 . 1 . . . . 25 GLY CA . 10104 1 263 . 1 1 25 25 GLY N N 15 109.652 0.300 . 1 . . . . 25 GLY N . 10104 1 264 . 1 1 26 26 PRO HA H 1 4.643 0.030 . 1 . . . . 26 PRO HA . 10104 1 265 . 1 1 26 26 PRO HB2 H 1 2.239 0.030 . 2 . . . . 26 PRO HB2 . 10104 1 266 . 1 1 26 26 PRO HB3 H 1 2.140 0.030 . 2 . . . . 26 PRO HB3 . 10104 1 267 . 1 1 26 26 PRO HG2 H 1 2.029 0.030 . 2 . . . . 26 PRO HG2 . 10104 1 268 . 1 1 26 26 PRO HG3 H 1 1.891 0.030 . 2 . . . . 26 PRO HG3 . 10104 1 269 . 1 1 26 26 PRO HD2 H 1 3.718 0.030 . 2 . . . . 26 PRO HD2 . 10104 1 270 . 1 1 26 26 PRO HD3 H 1 3.446 0.030 . 2 . . . . 26 PRO HD3 . 10104 1 271 . 1 1 26 26 PRO CA C 13 62.170 0.300 . 1 . . . . 26 PRO CA . 10104 1 272 . 1 1 26 26 PRO CB C 13 31.329 0.300 . 1 . . . . 26 PRO CB . 10104 1 273 . 1 1 26 26 PRO CG C 13 26.859 0.300 . 1 . . . . 26 PRO CG . 10104 1 274 . 1 1 26 26 PRO CD C 13 49.848 0.300 . 1 . . . . 26 PRO CD . 10104 1 275 . 1 1 27 27 PRO HA H 1 4.747 0.030 . 1 . . . . 27 PRO HA . 10104 1 276 . 1 1 27 27 PRO HB2 H 1 2.470 0.030 . 2 . . . . 27 PRO HB2 . 10104 1 277 . 1 1 27 27 PRO HB3 H 1 1.957 0.030 . 2 . . . . 27 PRO HB3 . 10104 1 278 . 1 1 27 27 PRO HG2 H 1 2.028 0.030 . 1 . . . . 27 PRO HG2 . 10104 1 279 . 1 1 27 27 PRO HG3 H 1 2.028 0.030 . 1 . . . . 27 PRO HG3 . 10104 1 280 . 1 1 27 27 PRO HD2 H 1 3.799 0.030 . 2 . . . . 27 PRO HD2 . 10104 1 281 . 1 1 27 27 PRO HD3 H 1 3.689 0.030 . 2 . . . . 27 PRO HD3 . 10104 1 282 . 1 1 27 27 PRO CA C 13 61.708 0.300 . 1 . . . . 27 PRO CA . 10104 1 283 . 1 1 27 27 PRO CB C 13 30.535 0.300 . 1 . . . . 27 PRO CB . 10104 1 284 . 1 1 27 27 PRO CG C 13 27.190 0.300 . 1 . . . . 27 PRO CG . 10104 1 285 . 1 1 27 27 PRO CD C 13 50.578 0.300 . 1 . . . . 27 PRO CD . 10104 1 286 . 1 1 28 28 PRO HA H 1 4.300 0.030 . 1 . . . . 28 PRO HA . 10104 1 287 . 1 1 28 28 PRO HB2 H 1 1.196 0.030 . 2 . . . . 28 PRO HB2 . 10104 1 288 . 1 1 28 28 PRO HB3 H 1 1.546 0.030 . 2 . . . . 28 PRO HB3 . 10104 1 289 . 1 1 28 28 PRO HG2 H 1 1.648 0.030 . 2 . . . . 28 PRO HG2 . 10104 1 290 . 1 1 28 28 PRO HG3 H 1 1.614 0.030 . 2 . . . . 28 PRO HG3 . 10104 1 291 . 1 1 28 28 PRO HD2 H 1 3.791 0.030 . 2 . . . . 28 PRO HD2 . 10104 1 292 . 1 1 28 28 PRO HD3 H 1 3.502 0.030 . 2 . . . . 28 PRO HD3 . 10104 1 293 . 1 1 28 28 PRO C C 13 175.498 0.300 . 1 . . . . 28 PRO C . 10104 1 294 . 1 1 28 28 PRO CA C 13 64.178 0.300 . 1 . . . . 28 PRO CA . 10104 1 295 . 1 1 28 28 PRO CB C 13 33.397 0.300 . 1 . . . . 28 PRO CB . 10104 1 296 . 1 1 28 28 PRO CG C 13 27.127 0.300 . 1 . . . . 28 PRO CG . 10104 1 297 . 1 1 28 28 PRO CD C 13 50.450 0.300 . 1 . . . . 28 PRO CD . 10104 1 298 . 1 1 29 29 ILE H H 1 7.908 0.030 . 1 . . . . 29 ILE H . 10104 1 299 . 1 1 29 29 ILE HA H 1 4.306 0.030 . 1 . . . . 29 ILE HA . 10104 1 300 . 1 1 29 29 ILE HB H 1 1.697 0.030 . 1 . . . . 29 ILE HB . 10104 1 301 . 1 1 29 29 ILE HG12 H 1 0.920 0.030 . 2 . . . . 29 ILE HG12 . 10104 1 302 . 1 1 29 29 ILE HG13 H 1 1.994 0.030 . 2 . . . . 29 ILE HG13 . 10104 1 303 . 1 1 29 29 ILE HG21 H 1 0.849 0.030 . 1 . . . . 29 ILE HG2 . 10104 1 304 . 1 1 29 29 ILE HG22 H 1 0.849 0.030 . 1 . . . . 29 ILE HG2 . 10104 1 305 . 1 1 29 29 ILE HG23 H 1 0.849 0.030 . 1 . . . . 29 ILE HG2 . 10104 1 306 . 1 1 29 29 ILE HD11 H 1 0.789 0.030 . 1 . . . . 29 ILE HD1 . 10104 1 307 . 1 1 29 29 ILE HD12 H 1 0.789 0.030 . 1 . . . . 29 ILE HD1 . 10104 1 308 . 1 1 29 29 ILE HD13 H 1 0.789 0.030 . 1 . . . . 29 ILE HD1 . 10104 1 309 . 1 1 29 29 ILE C C 13 175.815 0.300 . 1 . . . . 29 ILE C . 10104 1 310 . 1 1 29 29 ILE CA C 13 60.244 0.300 . 1 . . . . 29 ILE CA . 10104 1 311 . 1 1 29 29 ILE CB C 13 40.953 0.300 . 1 . . . . 29 ILE CB . 10104 1 312 . 1 1 29 29 ILE CG1 C 13 27.420 0.300 . 1 . . . . 29 ILE CG1 . 10104 1 313 . 1 1 29 29 ILE CG2 C 13 17.475 0.300 . 1 . . . . 29 ILE CG2 . 10104 1 314 . 1 1 29 29 ILE CD1 C 13 14.506 0.300 . 1 . . . . 29 ILE CD1 . 10104 1 315 . 1 1 29 29 ILE N N 15 124.007 0.300 . 1 . . . . 29 ILE N . 10104 1 316 . 1 1 30 30 PHE H H 1 8.917 0.030 . 1 . . . . 30 PHE H . 10104 1 317 . 1 1 30 30 PHE HA H 1 4.601 0.030 . 1 . . . . 30 PHE HA . 10104 1 318 . 1 1 30 30 PHE HB2 H 1 2.901 0.030 . 2 . . . . 30 PHE HB2 . 10104 1 319 . 1 1 30 30 PHE HB3 H 1 2.969 0.030 . 2 . . . . 30 PHE HB3 . 10104 1 320 . 1 1 30 30 PHE HD1 H 1 7.104 0.030 . 1 . . . . 30 PHE HD1 . 10104 1 321 . 1 1 30 30 PHE HD2 H 1 7.104 0.030 . 1 . . . . 30 PHE HD2 . 10104 1 322 . 1 1 30 30 PHE HE1 H 1 6.813 0.030 . 1 . . . . 30 PHE HE1 . 10104 1 323 . 1 1 30 30 PHE HE2 H 1 6.813 0.030 . 1 . . . . 30 PHE HE2 . 10104 1 324 . 1 1 30 30 PHE HZ H 1 6.623 0.030 . 1 . . . . 30 PHE HZ . 10104 1 325 . 1 1 30 30 PHE C C 13 175.863 0.300 . 1 . . . . 30 PHE C . 10104 1 326 . 1 1 30 30 PHE CA C 13 59.089 0.300 . 1 . . . . 30 PHE CA . 10104 1 327 . 1 1 30 30 PHE CB C 13 39.717 0.300 . 1 . . . . 30 PHE CB . 10104 1 328 . 1 1 30 30 PHE CD1 C 13 131.239 0.300 . 1 . . . . 30 PHE CD1 . 10104 1 329 . 1 1 30 30 PHE CD2 C 13 131.239 0.300 . 1 . . . . 30 PHE CD2 . 10104 1 330 . 1 1 30 30 PHE CE1 C 13 131.046 0.300 . 1 . . . . 30 PHE CE1 . 10104 1 331 . 1 1 30 30 PHE CE2 C 13 131.046 0.300 . 1 . . . . 30 PHE CE2 . 10104 1 332 . 1 1 30 30 PHE CZ C 13 129.277 0.300 . 1 . . . . 30 PHE CZ . 10104 1 333 . 1 1 30 30 PHE N N 15 126.586 0.300 . 1 . . . . 30 PHE N . 10104 1 334 . 1 1 31 31 LEU H H 1 8.425 0.030 . 1 . . . . 31 LEU H . 10104 1 335 . 1 1 31 31 LEU HA H 1 4.797 0.030 . 1 . . . . 31 LEU HA . 10104 1 336 . 1 1 31 31 LEU HB2 H 1 1.727 0.030 . 2 . . . . 31 LEU HB2 . 10104 1 337 . 1 1 31 31 LEU HB3 H 1 1.531 0.030 . 2 . . . . 31 LEU HB3 . 10104 1 338 . 1 1 31 31 LEU HG H 1 1.664 0.030 . 1 . . . . 31 LEU HG . 10104 1 339 . 1 1 31 31 LEU HD11 H 1 0.819 0.030 . 1 . . . . 31 LEU HD1 . 10104 1 340 . 1 1 31 31 LEU HD12 H 1 0.819 0.030 . 1 . . . . 31 LEU HD1 . 10104 1 341 . 1 1 31 31 LEU HD13 H 1 0.819 0.030 . 1 . . . . 31 LEU HD1 . 10104 1 342 . 1 1 31 31 LEU HD21 H 1 0.794 0.030 . 1 . . . . 31 LEU HD2 . 10104 1 343 . 1 1 31 31 LEU HD22 H 1 0.794 0.030 . 1 . . . . 31 LEU HD2 . 10104 1 344 . 1 1 31 31 LEU HD23 H 1 0.794 0.030 . 1 . . . . 31 LEU HD2 . 10104 1 345 . 1 1 31 31 LEU C C 13 175.475 0.300 . 1 . . . . 31 LEU C . 10104 1 346 . 1 1 31 31 LEU CA C 13 51.685 0.300 . 1 . . . . 31 LEU CA . 10104 1 347 . 1 1 31 31 LEU CB C 13 40.232 0.300 . 1 . . . . 31 LEU CB . 10104 1 348 . 1 1 31 31 LEU CG C 13 28.268 0.300 . 1 . . . . 31 LEU CG . 10104 1 349 . 1 1 31 31 LEU CD1 C 13 26.607 0.300 . 2 . . . . 31 LEU CD1 . 10104 1 350 . 1 1 31 31 LEU CD2 C 13 24.348 0.300 . 2 . . . . 31 LEU CD2 . 10104 1 351 . 1 1 31 31 LEU N N 15 123.071 0.300 . 1 . . . . 31 LEU N . 10104 1 352 . 1 1 32 32 PRO HA H 1 4.594 0.030 . 1 . . . . 32 PRO HA . 10104 1 353 . 1 1 32 32 PRO HB2 H 1 2.196 0.030 . 2 . . . . 32 PRO HB2 . 10104 1 354 . 1 1 32 32 PRO HB3 H 1 2.617 0.030 . 2 . . . . 32 PRO HB3 . 10104 1 355 . 1 1 32 32 PRO HG2 H 1 2.090 0.030 . 1 . . . . 32 PRO HG2 . 10104 1 356 . 1 1 32 32 PRO HG3 H 1 2.090 0.030 . 1 . . . . 32 PRO HG3 . 10104 1 357 . 1 1 32 32 PRO HD2 H 1 3.817 0.030 . 2 . . . . 32 PRO HD2 . 10104 1 358 . 1 1 32 32 PRO HD3 H 1 3.970 0.030 . 2 . . . . 32 PRO HD3 . 10104 1 359 . 1 1 32 32 PRO C C 13 178.042 0.300 . 1 . . . . 32 PRO C . 10104 1 360 . 1 1 32 32 PRO CA C 13 63.495 0.300 . 1 . . . . 32 PRO CA . 10104 1 361 . 1 1 32 32 PRO CB C 13 33.139 0.300 . 1 . . . . 32 PRO CB . 10104 1 362 . 1 1 32 32 PRO CG C 13 27.389 0.300 . 1 . . . . 32 PRO CG . 10104 1 363 . 1 1 32 32 PRO CD C 13 51.120 0.300 . 1 . . . . 32 PRO CD . 10104 1 364 . 1 1 33 33 SER H H 1 9.024 0.030 . 1 . . . . 33 SER H . 10104 1 365 . 1 1 33 33 SER HA H 1 4.705 0.030 . 1 . . . . 33 SER HA . 10104 1 366 . 1 1 33 33 SER HB2 H 1 4.043 0.030 . 2 . . . . 33 SER HB2 . 10104 1 367 . 1 1 33 33 SER HB3 H 1 4.090 0.030 . 2 . . . . 33 SER HB3 . 10104 1 368 . 1 1 33 33 SER C C 13 173.813 0.300 . 1 . . . . 33 SER C . 10104 1 369 . 1 1 33 33 SER CA C 13 59.106 0.300 . 1 . . . . 33 SER CA . 10104 1 370 . 1 1 33 33 SER CB C 13 64.484 0.300 . 1 . . . . 33 SER CB . 10104 1 371 . 1 1 33 33 SER N N 15 118.342 0.300 . 1 . . . . 33 SER N . 10104 1 372 . 1 1 34 34 ASP H H 1 8.417 0.030 . 1 . . . . 34 ASP H . 10104 1 373 . 1 1 34 34 ASP HA H 1 4.686 0.030 . 1 . . . . 34 ASP HA . 10104 1 374 . 1 1 34 34 ASP HB2 H 1 3.015 0.030 . 2 . . . . 34 ASP HB2 . 10104 1 375 . 1 1 34 34 ASP HB3 H 1 2.714 0.030 . 2 . . . . 34 ASP HB3 . 10104 1 376 . 1 1 34 34 ASP C C 13 176.978 0.300 . 1 . . . . 34 ASP C . 10104 1 377 . 1 1 34 34 ASP CA C 13 53.679 0.300 . 1 . . . . 34 ASP CA . 10104 1 378 . 1 1 34 34 ASP CB C 13 40.789 0.300 . 1 . . . . 34 ASP CB . 10104 1 379 . 1 1 34 34 ASP N N 15 118.914 0.300 . 1 . . . . 34 ASP N . 10104 1 380 . 1 1 35 35 GLY H H 1 8.777 0.030 . 1 . . . . 35 GLY H . 10104 1 381 . 1 1 35 35 GLY HA2 H 1 3.739 0.030 . 2 . . . . 35 GLY HA2 . 10104 1 382 . 1 1 35 35 GLY HA3 H 1 4.201 0.030 . 2 . . . . 35 GLY HA3 . 10104 1 383 . 1 1 35 35 GLY C C 13 174.189 0.300 . 1 . . . . 35 GLY C . 10104 1 384 . 1 1 35 35 GLY CA C 13 45.539 0.300 . 1 . . . . 35 GLY CA . 10104 1 385 . 1 1 35 35 GLY N N 15 108.370 0.300 . 1 . . . . 35 GLY N . 10104 1 386 . 1 1 36 36 GLN H H 1 7.536 0.030 . 1 . . . . 36 GLN H . 10104 1 387 . 1 1 36 36 GLN HA H 1 4.206 0.030 . 1 . . . . 36 GLN HA . 10104 1 388 . 1 1 36 36 GLN HB2 H 1 2.056 0.030 . 2 . . . . 36 GLN HB2 . 10104 1 389 . 1 1 36 36 GLN HB3 H 1 2.101 0.030 . 2 . . . . 36 GLN HB3 . 10104 1 390 . 1 1 36 36 GLN HG2 H 1 2.365 0.030 . 2 . . . . 36 GLN HG2 . 10104 1 391 . 1 1 36 36 GLN HG3 H 1 2.490 0.030 . 2 . . . . 36 GLN HG3 . 10104 1 392 . 1 1 36 36 GLN HE21 H 1 8.077 0.030 . 2 . . . . 36 GLN HE21 . 10104 1 393 . 1 1 36 36 GLN HE22 H 1 6.928 0.030 . 2 . . . . 36 GLN HE22 . 10104 1 394 . 1 1 36 36 GLN C C 13 174.892 0.300 . 1 . . . . 36 GLN C . 10104 1 395 . 1 1 36 36 GLN CA C 13 56.174 0.300 . 1 . . . . 36 GLN CA . 10104 1 396 . 1 1 36 36 GLN CB C 13 29.912 0.300 . 1 . . . . 36 GLN CB . 10104 1 397 . 1 1 36 36 GLN CG C 13 34.561 0.300 . 1 . . . . 36 GLN CG . 10104 1 398 . 1 1 36 36 GLN N N 15 118.549 0.300 . 1 . . . . 36 GLN N . 10104 1 399 . 1 1 36 36 GLN NE2 N 15 114.054 0.300 . 1 . . . . 36 GLN NE2 . 10104 1 400 . 1 1 37 37 ALA H H 1 8.430 0.030 . 1 . . . . 37 ALA H . 10104 1 401 . 1 1 37 37 ALA HA H 1 4.730 0.030 . 1 . . . . 37 ALA HA . 10104 1 402 . 1 1 37 37 ALA HB1 H 1 1.242 0.030 . 1 . . . . 37 ALA HB . 10104 1 403 . 1 1 37 37 ALA HB2 H 1 1.242 0.030 . 1 . . . . 37 ALA HB . 10104 1 404 . 1 1 37 37 ALA HB3 H 1 1.242 0.030 . 1 . . . . 37 ALA HB . 10104 1 405 . 1 1 37 37 ALA C C 13 177.694 0.300 . 1 . . . . 37 ALA C . 10104 1 406 . 1 1 37 37 ALA CA C 13 51.742 0.300 . 1 . . . . 37 ALA CA . 10104 1 407 . 1 1 37 37 ALA CB C 13 20.110 0.300 . 1 . . . . 37 ALA CB . 10104 1 408 . 1 1 37 37 ALA N N 15 124.364 0.300 . 1 . . . . 37 ALA N . 10104 1 409 . 1 1 38 38 LEU H H 1 9.072 0.030 . 1 . . . . 38 LEU H . 10104 1 410 . 1 1 38 38 LEU HA H 1 4.742 0.030 . 1 . . . . 38 LEU HA . 10104 1 411 . 1 1 38 38 LEU HB2 H 1 1.242 0.030 . 2 . . . . 38 LEU HB2 . 10104 1 412 . 1 1 38 38 LEU HB3 H 1 1.800 0.030 . 2 . . . . 38 LEU HB3 . 10104 1 413 . 1 1 38 38 LEU HG H 1 1.356 0.030 . 1 . . . . 38 LEU HG . 10104 1 414 . 1 1 38 38 LEU HD11 H 1 1.026 0.030 . 1 . . . . 38 LEU HD1 . 10104 1 415 . 1 1 38 38 LEU HD12 H 1 1.026 0.030 . 1 . . . . 38 LEU HD1 . 10104 1 416 . 1 1 38 38 LEU HD13 H 1 1.026 0.030 . 1 . . . . 38 LEU HD1 . 10104 1 417 . 1 1 38 38 LEU HD21 H 1 0.873 0.030 . 1 . . . . 38 LEU HD2 . 10104 1 418 . 1 1 38 38 LEU HD22 H 1 0.873 0.030 . 1 . . . . 38 LEU HD2 . 10104 1 419 . 1 1 38 38 LEU HD23 H 1 0.873 0.030 . 1 . . . . 38 LEU HD2 . 10104 1 420 . 1 1 38 38 LEU C C 13 174.941 0.300 . 1 . . . . 38 LEU C . 10104 1 421 . 1 1 38 38 LEU CA C 13 53.847 0.300 . 1 . . . . 38 LEU CA . 10104 1 422 . 1 1 38 38 LEU CB C 13 45.977 0.300 . 1 . . . . 38 LEU CB . 10104 1 423 . 1 1 38 38 LEU CG C 13 27.561 0.300 . 1 . . . . 38 LEU CG . 10104 1 424 . 1 1 38 38 LEU CD1 C 13 23.396 0.300 . 2 . . . . 38 LEU CD1 . 10104 1 425 . 1 1 38 38 LEU CD2 C 13 27.092 0.300 . 2 . . . . 38 LEU CD2 . 10104 1 426 . 1 1 38 38 LEU N N 15 123.782 0.300 . 1 . . . . 38 LEU N . 10104 1 427 . 1 1 39 39 VAL H H 1 8.749 0.030 . 1 . . . . 39 VAL H . 10104 1 428 . 1 1 39 39 VAL HA H 1 4.984 0.030 . 1 . . . . 39 VAL HA . 10104 1 429 . 1 1 39 39 VAL HB H 1 1.959 0.030 . 1 . . . . 39 VAL HB . 10104 1 430 . 1 1 39 39 VAL HG11 H 1 0.903 0.030 . 1 . . . . 39 VAL HG1 . 10104 1 431 . 1 1 39 39 VAL HG12 H 1 0.903 0.030 . 1 . . . . 39 VAL HG1 . 10104 1 432 . 1 1 39 39 VAL HG13 H 1 0.903 0.030 . 1 . . . . 39 VAL HG1 . 10104 1 433 . 1 1 39 39 VAL HG21 H 1 0.934 0.030 . 1 . . . . 39 VAL HG2 . 10104 1 434 . 1 1 39 39 VAL HG22 H 1 0.934 0.030 . 1 . . . . 39 VAL HG2 . 10104 1 435 . 1 1 39 39 VAL HG23 H 1 0.934 0.030 . 1 . . . . 39 VAL HG2 . 10104 1 436 . 1 1 39 39 VAL C C 13 175.656 0.300 . 1 . . . . 39 VAL C . 10104 1 437 . 1 1 39 39 VAL CA C 13 61.433 0.300 . 1 . . . . 39 VAL CA . 10104 1 438 . 1 1 39 39 VAL CB C 13 32.407 0.300 . 1 . . . . 39 VAL CB . 10104 1 439 . 1 1 39 39 VAL CG1 C 13 21.425 0.300 . 2 . . . . 39 VAL CG1 . 10104 1 440 . 1 1 39 39 VAL CG2 C 13 21.761 0.300 . 2 . . . . 39 VAL CG2 . 10104 1 441 . 1 1 39 39 VAL N N 15 128.722 0.300 . 1 . . . . 39 VAL N . 10104 1 442 . 1 1 40 40 LEU H H 1 8.601 0.030 . 1 . . . . 40 LEU H . 10104 1 443 . 1 1 40 40 LEU HA H 1 5.074 0.030 . 1 . . . . 40 LEU HA . 10104 1 444 . 1 1 40 40 LEU HB2 H 1 1.438 0.030 . 2 . . . . 40 LEU HB2 . 10104 1 445 . 1 1 40 40 LEU HB3 H 1 1.223 0.030 . 2 . . . . 40 LEU HB3 . 10104 1 446 . 1 1 40 40 LEU HG H 1 1.470 0.030 . 1 . . . . 40 LEU HG . 10104 1 447 . 1 1 40 40 LEU HD11 H 1 0.692 0.030 . 1 . . . . 40 LEU HD1 . 10104 1 448 . 1 1 40 40 LEU HD12 H 1 0.692 0.030 . 1 . . . . 40 LEU HD1 . 10104 1 449 . 1 1 40 40 LEU HD13 H 1 0.692 0.030 . 1 . . . . 40 LEU HD1 . 10104 1 450 . 1 1 40 40 LEU HD21 H 1 0.854 0.030 . 1 . . . . 40 LEU HD2 . 10104 1 451 . 1 1 40 40 LEU HD22 H 1 0.854 0.030 . 1 . . . . 40 LEU HD2 . 10104 1 452 . 1 1 40 40 LEU HD23 H 1 0.854 0.030 . 1 . . . . 40 LEU HD2 . 10104 1 453 . 1 1 40 40 LEU C C 13 176.918 0.300 . 1 . . . . 40 LEU C . 10104 1 454 . 1 1 40 40 LEU CA C 13 52.288 0.300 . 1 . . . . 40 LEU CA . 10104 1 455 . 1 1 40 40 LEU CB C 13 47.340 0.300 . 1 . . . . 40 LEU CB . 10104 1 456 . 1 1 40 40 LEU CG C 13 26.713 0.300 . 1 . . . . 40 LEU CG . 10104 1 457 . 1 1 40 40 LEU CD1 C 13 26.526 0.300 . 2 . . . . 40 LEU CD1 . 10104 1 458 . 1 1 40 40 LEU CD2 C 13 24.324 0.300 . 2 . . . . 40 LEU CD2 . 10104 1 459 . 1 1 40 40 LEU N N 15 123.266 0.300 . 1 . . . . 40 LEU N . 10104 1 460 . 1 1 41 41 GLY H H 1 7.473 0.030 . 1 . . . . 41 GLY H . 10104 1 461 . 1 1 41 41 GLY HA2 H 1 3.445 0.030 . 2 . . . . 41 GLY HA2 . 10104 1 462 . 1 1 41 41 GLY HA3 H 1 4.463 0.030 . 2 . . . . 41 GLY HA3 . 10104 1 463 . 1 1 41 41 GLY C C 13 171.618 0.300 . 1 . . . . 41 GLY C . 10104 1 464 . 1 1 41 41 GLY CA C 13 46.583 0.300 . 1 . . . . 41 GLY CA . 10104 1 465 . 1 1 41 41 GLY N N 15 107.639 0.300 . 1 . . . . 41 GLY N . 10104 1 466 . 1 1 42 42 ARG H H 1 8.195 0.030 . 1 . . . . 42 ARG H . 10104 1 467 . 1 1 42 42 ARG HA H 1 4.031 0.030 . 1 . . . . 42 ARG HA . 10104 1 468 . 1 1 42 42 ARG HB2 H 1 1.369 0.030 . 2 . . . . 42 ARG HB2 . 10104 1 469 . 1 1 42 42 ARG HB3 H 1 1.424 0.030 . 2 . . . . 42 ARG HB3 . 10104 1 470 . 1 1 42 42 ARG HG2 H 1 1.306 0.030 . 2 . . . . 42 ARG HG2 . 10104 1 471 . 1 1 42 42 ARG HG3 H 1 1.397 0.030 . 2 . . . . 42 ARG HG3 . 10104 1 472 . 1 1 42 42 ARG HD2 H 1 2.898 0.030 . 2 . . . . 42 ARG HD2 . 10104 1 473 . 1 1 42 42 ARG HD3 H 1 3.192 0.030 . 2 . . . . 42 ARG HD3 . 10104 1 474 . 1 1 42 42 ARG HE H 1 7.053 0.030 . 1 . . . . 42 ARG HE . 10104 1 475 . 1 1 42 42 ARG C C 13 174.784 0.300 . 1 . . . . 42 ARG C . 10104 1 476 . 1 1 42 42 ARG CA C 13 56.689 0.300 . 1 . . . . 42 ARG CA . 10104 1 477 . 1 1 42 42 ARG CB C 13 31.018 0.300 . 1 . . . . 42 ARG CB . 10104 1 478 . 1 1 42 42 ARG CG C 13 26.892 0.300 . 1 . . . . 42 ARG CG . 10104 1 479 . 1 1 42 42 ARG CD C 13 43.604 0.300 . 1 . . . . 42 ARG CD . 10104 1 480 . 1 1 42 42 ARG N N 15 129.099 0.300 . 1 . . . . 42 ARG N . 10104 1 481 . 1 1 42 42 ARG NE N 15 82.835 0.300 . 1 . . . . 42 ARG NE . 10104 1 482 . 1 1 43 43 GLY H H 1 8.142 0.030 . 1 . . . . 43 GLY H . 10104 1 483 . 1 1 43 43 GLY HA2 H 1 4.741 0.030 . 2 . . . . 43 GLY HA2 . 10104 1 484 . 1 1 43 43 GLY HA3 H 1 3.862 0.030 . 2 . . . . 43 GLY HA3 . 10104 1 485 . 1 1 43 43 GLY C C 13 172.343 0.300 . 1 . . . . 43 GLY C . 10104 1 486 . 1 1 43 43 GLY CA C 13 45.019 0.300 . 1 . . . . 43 GLY CA . 10104 1 487 . 1 1 43 43 GLY N N 15 114.763 0.300 . 1 . . . . 43 GLY N . 10104 1 488 . 1 1 44 44 PRO HA H 1 4.376 0.030 . 1 . . . . 44 PRO HA . 10104 1 489 . 1 1 44 44 PRO HB2 H 1 2.057 0.030 . 2 . . . . 44 PRO HB2 . 10104 1 490 . 1 1 44 44 PRO HB3 H 1 2.335 0.030 . 2 . . . . 44 PRO HB3 . 10104 1 491 . 1 1 44 44 PRO HG2 H 1 2.050 0.030 . 1 . . . . 44 PRO HG2 . 10104 1 492 . 1 1 44 44 PRO HG3 H 1 2.050 0.030 . 1 . . . . 44 PRO HG3 . 10104 1 493 . 1 1 44 44 PRO HD2 H 1 3.827 0.030 . 2 . . . . 44 PRO HD2 . 10104 1 494 . 1 1 44 44 PRO HD3 H 1 3.558 0.030 . 2 . . . . 44 PRO HD3 . 10104 1 495 . 1 1 44 44 PRO C C 13 177.727 0.300 . 1 . . . . 44 PRO C . 10104 1 496 . 1 1 44 44 PRO CA C 13 64.149 0.300 . 1 . . . . 44 PRO CA . 10104 1 497 . 1 1 44 44 PRO CB C 13 32.420 0.300 . 1 . . . . 44 PRO CB . 10104 1 498 . 1 1 44 44 PRO CG C 13 27.010 0.300 . 1 . . . . 44 PRO CG . 10104 1 499 . 1 1 44 44 PRO CD C 13 49.734 0.300 . 1 . . . . 44 PRO CD . 10104 1 500 . 1 1 45 45 LEU H H 1 7.987 0.030 . 1 . . . . 45 LEU H . 10104 1 501 . 1 1 45 45 LEU HA H 1 4.291 0.030 . 1 . . . . 45 LEU HA . 10104 1 502 . 1 1 45 45 LEU HB2 H 1 1.799 0.030 . 2 . . . . 45 LEU HB2 . 10104 1 503 . 1 1 45 45 LEU HB3 H 1 1.731 0.030 . 2 . . . . 45 LEU HB3 . 10104 1 504 . 1 1 45 45 LEU HG H 1 1.642 0.030 . 1 . . . . 45 LEU HG . 10104 1 505 . 1 1 45 45 LEU HD11 H 1 0.993 0.030 . 1 . . . . 45 LEU HD1 . 10104 1 506 . 1 1 45 45 LEU HD12 H 1 0.993 0.030 . 1 . . . . 45 LEU HD1 . 10104 1 507 . 1 1 45 45 LEU HD13 H 1 0.993 0.030 . 1 . . . . 45 LEU HD1 . 10104 1 508 . 1 1 45 45 LEU HD21 H 1 1.045 0.030 . 1 . . . . 45 LEU HD2 . 10104 1 509 . 1 1 45 45 LEU HD22 H 1 1.045 0.030 . 1 . . . . 45 LEU HD2 . 10104 1 510 . 1 1 45 45 LEU HD23 H 1 1.045 0.030 . 1 . . . . 45 LEU HD2 . 10104 1 511 . 1 1 45 45 LEU C C 13 177.476 0.300 . 1 . . . . 45 LEU C . 10104 1 512 . 1 1 45 45 LEU CA C 13 57.954 0.300 . 1 . . . . 45 LEU CA . 10104 1 513 . 1 1 45 45 LEU CB C 13 42.242 0.300 . 1 . . . . 45 LEU CB . 10104 1 514 . 1 1 45 45 LEU CG C 13 27.256 0.300 . 1 . . . . 45 LEU CG . 10104 1 515 . 1 1 45 45 LEU CD1 C 13 25.026 0.300 . 2 . . . . 45 LEU CD1 . 10104 1 516 . 1 1 45 45 LEU CD2 C 13 24.336 0.300 . 2 . . . . 45 LEU CD2 . 10104 1 517 . 1 1 45 45 LEU N N 15 120.353 0.300 . 1 . . . . 45 LEU N . 10104 1 518 . 1 1 46 46 THR H H 1 7.817 0.030 . 1 . . . . 46 THR H . 10104 1 519 . 1 1 46 46 THR HA H 1 4.128 0.030 . 1 . . . . 46 THR HA . 10104 1 520 . 1 1 46 46 THR HB H 1 4.304 0.030 . 1 . . . . 46 THR HB . 10104 1 521 . 1 1 46 46 THR HG21 H 1 1.276 0.030 . 1 . . . . 46 THR HG2 . 10104 1 522 . 1 1 46 46 THR HG22 H 1 1.276 0.030 . 1 . . . . 46 THR HG2 . 10104 1 523 . 1 1 46 46 THR HG23 H 1 1.276 0.030 . 1 . . . . 46 THR HG2 . 10104 1 524 . 1 1 46 46 THR C C 13 175.620 0.300 . 1 . . . . 46 THR C . 10104 1 525 . 1 1 46 46 THR CA C 13 61.609 0.300 . 1 . . . . 46 THR CA . 10104 1 526 . 1 1 46 46 THR CB C 13 70.134 0.300 . 1 . . . . 46 THR CB . 10104 1 527 . 1 1 46 46 THR CG2 C 13 22.364 0.300 . 1 . . . . 46 THR CG2 . 10104 1 528 . 1 1 46 46 THR N N 15 103.218 0.300 . 1 . . . . 46 THR N . 10104 1 529 . 1 1 47 47 GLN H H 1 8.137 0.030 . 1 . . . . 47 GLN H . 10104 1 530 . 1 1 47 47 GLN HA H 1 3.762 0.030 . 1 . . . . 47 GLN HA . 10104 1 531 . 1 1 47 47 GLN HB2 H 1 2.239 0.030 . 2 . . . . 47 GLN HB2 . 10104 1 532 . 1 1 47 47 GLN HB3 H 1 2.400 0.030 . 2 . . . . 47 GLN HB3 . 10104 1 533 . 1 1 47 47 GLN HG2 H 1 2.411 0.030 . 2 . . . . 47 GLN HG2 . 10104 1 534 . 1 1 47 47 GLN HG3 H 1 2.324 0.030 . 2 . . . . 47 GLN HG3 . 10104 1 535 . 1 1 47 47 GLN HE21 H 1 6.947 0.030 . 2 . . . . 47 GLN HE21 . 10104 1 536 . 1 1 47 47 GLN HE22 H 1 7.765 0.030 . 2 . . . . 47 GLN HE22 . 10104 1 537 . 1 1 47 47 GLN C C 13 174.226 0.300 . 1 . . . . 47 GLN C . 10104 1 538 . 1 1 47 47 GLN CA C 13 57.750 0.300 . 1 . . . . 47 GLN CA . 10104 1 539 . 1 1 47 47 GLN CB C 13 25.620 0.300 . 1 . . . . 47 GLN CB . 10104 1 540 . 1 1 47 47 GLN CG C 13 34.466 0.300 . 1 . . . . 47 GLN CG . 10104 1 541 . 1 1 47 47 GLN N N 15 114.570 0.300 . 1 . . . . 47 GLN N . 10104 1 542 . 1 1 47 47 GLN NE2 N 15 111.173 0.300 . 1 . . . . 47 GLN NE2 . 10104 1 543 . 1 1 48 48 VAL H H 1 7.611 0.030 . 1 . . . . 48 VAL H . 10104 1 544 . 1 1 48 48 VAL HA H 1 3.791 0.030 . 1 . . . . 48 VAL HA . 10104 1 545 . 1 1 48 48 VAL HB H 1 1.695 0.030 . 1 . . . . 48 VAL HB . 10104 1 546 . 1 1 48 48 VAL HG11 H 1 0.375 0.030 . 1 . . . . 48 VAL HG1 . 10104 1 547 . 1 1 48 48 VAL HG12 H 1 0.375 0.030 . 1 . . . . 48 VAL HG1 . 10104 1 548 . 1 1 48 48 VAL HG13 H 1 0.375 0.030 . 1 . . . . 48 VAL HG1 . 10104 1 549 . 1 1 48 48 VAL HG21 H 1 0.598 0.030 . 1 . . . . 48 VAL HG2 . 10104 1 550 . 1 1 48 48 VAL HG22 H 1 0.598 0.030 . 1 . . . . 48 VAL HG2 . 10104 1 551 . 1 1 48 48 VAL HG23 H 1 0.598 0.030 . 1 . . . . 48 VAL HG2 . 10104 1 552 . 1 1 48 48 VAL C C 13 176.603 0.300 . 1 . . . . 48 VAL C . 10104 1 553 . 1 1 48 48 VAL CA C 13 62.701 0.300 . 1 . . . . 48 VAL CA . 10104 1 554 . 1 1 48 48 VAL CB C 13 33.075 0.300 . 1 . . . . 48 VAL CB . 10104 1 555 . 1 1 48 48 VAL CG1 C 13 20.974 0.300 . 2 . . . . 48 VAL CG1 . 10104 1 556 . 1 1 48 48 VAL CG2 C 13 22.412 0.300 . 2 . . . . 48 VAL CG2 . 10104 1 557 . 1 1 48 48 VAL N N 15 120.379 0.300 . 1 . . . . 48 VAL N . 10104 1 558 . 1 1 49 49 THR H H 1 8.710 0.030 . 1 . . . . 49 THR H . 10104 1 559 . 1 1 49 49 THR HA H 1 4.288 0.030 . 1 . . . . 49 THR HA . 10104 1 560 . 1 1 49 49 THR HB H 1 4.363 0.030 . 1 . . . . 49 THR HB . 10104 1 561 . 1 1 49 49 THR HG21 H 1 1.063 0.030 . 1 . . . . 49 THR HG2 . 10104 1 562 . 1 1 49 49 THR HG22 H 1 1.063 0.030 . 1 . . . . 49 THR HG2 . 10104 1 563 . 1 1 49 49 THR HG23 H 1 1.063 0.030 . 1 . . . . 49 THR HG2 . 10104 1 564 . 1 1 49 49 THR C C 13 174.274 0.300 . 1 . . . . 49 THR C . 10104 1 565 . 1 1 49 49 THR CA C 13 60.810 0.300 . 1 . . . . 49 THR CA . 10104 1 566 . 1 1 49 49 THR CB C 13 69.643 0.300 . 1 . . . . 49 THR CB . 10104 1 567 . 1 1 49 49 THR CG2 C 13 21.231 0.300 . 1 . . . . 49 THR CG2 . 10104 1 568 . 1 1 49 49 THR N N 15 116.580 0.300 . 1 . . . . 49 THR N . 10104 1 569 . 1 1 50 50 ASP H H 1 6.600 0.030 . 1 . . . . 50 ASP H . 10104 1 570 . 1 1 50 50 ASP HA H 1 4.305 0.030 . 1 . . . . 50 ASP HA . 10104 1 571 . 1 1 50 50 ASP HB2 H 1 2.800 0.030 . 2 . . . . 50 ASP HB2 . 10104 1 572 . 1 1 50 50 ASP HB3 H 1 2.512 0.030 . 2 . . . . 50 ASP HB3 . 10104 1 573 . 1 1 50 50 ASP C C 13 177.476 0.300 . 1 . . . . 50 ASP C . 10104 1 574 . 1 1 50 50 ASP CA C 13 54.322 0.300 . 1 . . . . 50 ASP CA . 10104 1 575 . 1 1 50 50 ASP CB C 13 41.369 0.300 . 1 . . . . 50 ASP CB . 10104 1 576 . 1 1 50 50 ASP N N 15 124.274 0.300 . 1 . . . . 50 ASP N . 10104 1 577 . 1 1 51 51 ARG H H 1 8.906 0.030 . 1 . . . . 51 ARG H . 10104 1 578 . 1 1 51 51 ARG HA H 1 3.933 0.030 . 1 . . . . 51 ARG HA . 10104 1 579 . 1 1 51 51 ARG HB2 H 1 1.990 0.030 . 2 . . . . 51 ARG HB2 . 10104 1 580 . 1 1 51 51 ARG HB3 H 1 1.826 0.030 . 2 . . . . 51 ARG HB3 . 10104 1 581 . 1 1 51 51 ARG HG2 H 1 1.645 0.030 . 2 . . . . 51 ARG HG2 . 10104 1 582 . 1 1 51 51 ARG HG3 H 1 1.817 0.030 . 2 . . . . 51 ARG HG3 . 10104 1 583 . 1 1 51 51 ARG HD2 H 1 3.218 0.030 . 1 . . . . 51 ARG HD2 . 10104 1 584 . 1 1 51 51 ARG HD3 H 1 3.218 0.030 . 1 . . . . 51 ARG HD3 . 10104 1 585 . 1 1 51 51 ARG C C 13 177.682 0.300 . 1 . . . . 51 ARG C . 10104 1 586 . 1 1 51 51 ARG CA C 13 58.193 0.300 . 1 . . . . 51 ARG CA . 10104 1 587 . 1 1 51 51 ARG CB C 13 29.401 0.300 . 1 . . . . 51 ARG CB . 10104 1 588 . 1 1 51 51 ARG CG C 13 28.035 0.300 . 1 . . . . 51 ARG CG . 10104 1 589 . 1 1 51 51 ARG CD C 13 42.943 0.300 . 1 . . . . 51 ARG CD . 10104 1 590 . 1 1 51 51 ARG N N 15 127.212 0.300 . 1 . . . . 51 ARG N . 10104 1 591 . 1 1 52 52 LYS H H 1 9.023 0.030 . 1 . . . . 52 LYS H . 10104 1 592 . 1 1 52 52 LYS HA H 1 4.019 0.030 . 1 . . . . 52 LYS HA . 10104 1 593 . 1 1 52 52 LYS HB2 H 1 1.768 0.030 . 2 . . . . 52 LYS HB2 . 10104 1 594 . 1 1 52 52 LYS HB3 H 1 1.603 0.030 . 2 . . . . 52 LYS HB3 . 10104 1 595 . 1 1 52 52 LYS HG2 H 1 1.397 0.030 . 2 . . . . 52 LYS HG2 . 10104 1 596 . 1 1 52 52 LYS HG3 H 1 1.544 0.030 . 2 . . . . 52 LYS HG3 . 10104 1 597 . 1 1 52 52 LYS HD2 H 1 1.654 0.030 . 1 . . . . 52 LYS HD2 . 10104 1 598 . 1 1 52 52 LYS HD3 H 1 1.654 0.030 . 1 . . . . 52 LYS HD3 . 10104 1 599 . 1 1 52 52 LYS HE2 H 1 2.992 0.030 . 1 . . . . 52 LYS HE2 . 10104 1 600 . 1 1 52 52 LYS HE3 H 1 2.992 0.030 . 1 . . . . 52 LYS HE3 . 10104 1 601 . 1 1 52 52 LYS C C 13 177.197 0.300 . 1 . . . . 52 LYS C . 10104 1 602 . 1 1 52 52 LYS CA C 13 57.785 0.300 . 1 . . . . 52 LYS CA . 10104 1 603 . 1 1 52 52 LYS CB C 13 32.117 0.300 . 1 . . . . 52 LYS CB . 10104 1 604 . 1 1 52 52 LYS CG C 13 25.804 0.300 . 1 . . . . 52 LYS CG . 10104 1 605 . 1 1 52 52 LYS CD C 13 28.899 0.300 . 1 . . . . 52 LYS CD . 10104 1 606 . 1 1 52 52 LYS CE C 13 41.988 0.300 . 1 . . . . 52 LYS CE . 10104 1 607 . 1 1 52 52 LYS N N 15 118.350 0.300 . 1 . . . . 52 LYS N . 10104 1 608 . 1 1 53 53 CYS H H 1 8.158 0.030 . 1 . . . . 53 CYS H . 10104 1 609 . 1 1 53 53 CYS HA H 1 4.094 0.030 . 1 . . . . 53 CYS HA . 10104 1 610 . 1 1 53 53 CYS HB2 H 1 3.159 0.030 . 2 . . . . 53 CYS HB2 . 10104 1 611 . 1 1 53 53 CYS HB3 H 1 2.106 0.030 . 2 . . . . 53 CYS HB3 . 10104 1 612 . 1 1 53 53 CYS C C 13 173.364 0.300 . 1 . . . . 53 CYS C . 10104 1 613 . 1 1 53 53 CYS CA C 13 58.457 0.300 . 1 . . . . 53 CYS CA . 10104 1 614 . 1 1 53 53 CYS CB C 13 27.846 0.300 . 1 . . . . 53 CYS CB . 10104 1 615 . 1 1 53 53 CYS N N 15 119.682 0.300 . 1 . . . . 53 CYS N . 10104 1 616 . 1 1 54 54 SER H H 1 8.432 0.030 . 1 . . . . 54 SER H . 10104 1 617 . 1 1 54 54 SER HA H 1 4.581 0.030 . 1 . . . . 54 SER HA . 10104 1 618 . 1 1 54 54 SER HB2 H 1 3.990 0.030 . 2 . . . . 54 SER HB2 . 10104 1 619 . 1 1 54 54 SER HB3 H 1 3.585 0.030 . 2 . . . . 54 SER HB3 . 10104 1 620 . 1 1 54 54 SER C C 13 176.663 0.300 . 1 . . . . 54 SER C . 10104 1 621 . 1 1 54 54 SER CA C 13 59.435 0.300 . 1 . . . . 54 SER CA . 10104 1 622 . 1 1 54 54 SER CB C 13 62.994 0.300 . 1 . . . . 54 SER CB . 10104 1 623 . 1 1 54 54 SER N N 15 123.855 0.300 . 1 . . . . 54 SER N . 10104 1 624 . 1 1 55 55 ARG H H 1 9.565 0.030 . 1 . . . . 55 ARG H . 10104 1 625 . 1 1 55 55 ARG HA H 1 4.195 0.030 . 1 . . . . 55 ARG HA . 10104 1 626 . 1 1 55 55 ARG HB2 H 1 1.835 0.030 . 1 . . . . 55 ARG HB2 . 10104 1 627 . 1 1 55 55 ARG HB3 H 1 1.835 0.030 . 1 . . . . 55 ARG HB3 . 10104 1 628 . 1 1 55 55 ARG HG2 H 1 1.661 0.030 . 2 . . . . 55 ARG HG2 . 10104 1 629 . 1 1 55 55 ARG HG3 H 1 1.746 0.030 . 2 . . . . 55 ARG HG3 . 10104 1 630 . 1 1 55 55 ARG HD2 H 1 3.249 0.030 . 1 . . . . 55 ARG HD2 . 10104 1 631 . 1 1 55 55 ARG HD3 H 1 3.249 0.030 . 1 . . . . 55 ARG HD3 . 10104 1 632 . 1 1 55 55 ARG C C 13 176.615 0.300 . 1 . . . . 55 ARG C . 10104 1 633 . 1 1 55 55 ARG CA C 13 60.688 0.300 . 1 . . . . 55 ARG CA . 10104 1 634 . 1 1 55 55 ARG CB C 13 29.893 0.300 . 1 . . . . 55 ARG CB . 10104 1 635 . 1 1 55 55 ARG CG C 13 27.836 0.300 . 1 . . . . 55 ARG CG . 10104 1 636 . 1 1 55 55 ARG CD C 13 43.436 0.300 . 1 . . . . 55 ARG CD . 10104 1 637 . 1 1 55 55 ARG N N 15 127.636 0.300 . 1 . . . . 55 ARG N . 10104 1 638 . 1 1 56 56 ASN H H 1 8.374 0.030 . 1 . . . . 56 ASN H . 10104 1 639 . 1 1 56 56 ASN HA H 1 4.629 0.030 . 1 . . . . 56 ASN HA . 10104 1 640 . 1 1 56 56 ASN HB2 H 1 2.727 0.030 . 2 . . . . 56 ASN HB2 . 10104 1 641 . 1 1 56 56 ASN HB3 H 1 2.300 0.030 . 2 . . . . 56 ASN HB3 . 10104 1 642 . 1 1 56 56 ASN HD21 H 1 7.458 0.030 . 2 . . . . 56 ASN HD21 . 10104 1 643 . 1 1 56 56 ASN HD22 H 1 6.742 0.030 . 2 . . . . 56 ASN HD22 . 10104 1 644 . 1 1 56 56 ASN C C 13 171.885 0.300 . 1 . . . . 56 ASN C . 10104 1 645 . 1 1 56 56 ASN CA C 13 50.646 0.300 . 1 . . . . 56 ASN CA . 10104 1 646 . 1 1 56 56 ASN CB C 13 37.931 0.300 . 1 . . . . 56 ASN CB . 10104 1 647 . 1 1 56 56 ASN N N 15 117.127 0.300 . 1 . . . . 56 ASN N . 10104 1 648 . 1 1 56 56 ASN ND2 N 15 112.835 0.300 . 1 . . . . 56 ASN ND2 . 10104 1 649 . 1 1 57 57 GLN H H 1 7.718 0.030 . 1 . . . . 57 GLN H . 10104 1 650 . 1 1 57 57 GLN HA H 1 4.267 0.030 . 1 . . . . 57 GLN HA . 10104 1 651 . 1 1 57 57 GLN HB2 H 1 2.520 0.030 . 2 . . . . 57 GLN HB2 . 10104 1 652 . 1 1 57 57 GLN HB3 H 1 2.110 0.030 . 2 . . . . 57 GLN HB3 . 10104 1 653 . 1 1 57 57 GLN HG2 H 1 2.806 0.030 . 2 . . . . 57 GLN HG2 . 10104 1 654 . 1 1 57 57 GLN HG3 H 1 2.414 0.030 . 2 . . . . 57 GLN HG3 . 10104 1 655 . 1 1 57 57 GLN HE21 H 1 7.730 0.030 . 2 . . . . 57 GLN HE21 . 10104 1 656 . 1 1 57 57 GLN HE22 H 1 7.799 0.030 . 2 . . . . 57 GLN HE22 . 10104 1 657 . 1 1 57 57 GLN C C 13 177.621 0.300 . 1 . . . . 57 GLN C . 10104 1 658 . 1 1 57 57 GLN CA C 13 58.173 0.300 . 1 . . . . 57 GLN CA . 10104 1 659 . 1 1 57 57 GLN CB C 13 29.011 0.300 . 1 . . . . 57 GLN CB . 10104 1 660 . 1 1 57 57 GLN CG C 13 32.893 0.300 . 1 . . . . 57 GLN CG . 10104 1 661 . 1 1 57 57 GLN N N 15 120.993 0.300 . 1 . . . . 57 GLN N . 10104 1 662 . 1 1 57 57 GLN NE2 N 15 115.640 0.300 . 1 . . . . 57 GLN NE2 . 10104 1 663 . 1 1 58 58 VAL H H 1 8.270 0.030 . 1 . . . . 58 VAL H . 10104 1 664 . 1 1 58 58 VAL HA H 1 5.337 0.030 . 1 . . . . 58 VAL HA . 10104 1 665 . 1 1 58 58 VAL HB H 1 1.942 0.030 . 1 . . . . 58 VAL HB . 10104 1 666 . 1 1 58 58 VAL HG11 H 1 1.006 0.030 . 1 . . . . 58 VAL HG1 . 10104 1 667 . 1 1 58 58 VAL HG12 H 1 1.006 0.030 . 1 . . . . 58 VAL HG1 . 10104 1 668 . 1 1 58 58 VAL HG13 H 1 1.006 0.030 . 1 . . . . 58 VAL HG1 . 10104 1 669 . 1 1 58 58 VAL HG21 H 1 0.746 0.030 . 1 . . . . 58 VAL HG2 . 10104 1 670 . 1 1 58 58 VAL HG22 H 1 0.746 0.030 . 1 . . . . 58 VAL HG2 . 10104 1 671 . 1 1 58 58 VAL HG23 H 1 0.746 0.030 . 1 . . . . 58 VAL HG2 . 10104 1 672 . 1 1 58 58 VAL C C 13 172.553 0.300 . 1 . . . . 58 VAL C . 10104 1 673 . 1 1 58 58 VAL CA C 13 58.716 0.300 . 1 . . . . 58 VAL CA . 10104 1 674 . 1 1 58 58 VAL CB C 13 36.803 0.300 . 1 . . . . 58 VAL CB . 10104 1 675 . 1 1 58 58 VAL CG1 C 13 23.642 0.300 . 2 . . . . 58 VAL CG1 . 10104 1 676 . 1 1 58 58 VAL CG2 C 13 19.782 0.300 . 2 . . . . 58 VAL CG2 . 10104 1 677 . 1 1 58 58 VAL N N 15 110.626 0.300 . 1 . . . . 58 VAL N . 10104 1 678 . 1 1 59 59 GLU H H 1 9.225 0.030 . 1 . . . . 59 GLU H . 10104 1 679 . 1 1 59 59 GLU HA H 1 4.849 0.030 . 1 . . . . 59 GLU HA . 10104 1 680 . 1 1 59 59 GLU HB2 H 1 1.916 0.030 . 2 . . . . 59 GLU HB2 . 10104 1 681 . 1 1 59 59 GLU HB3 H 1 2.121 0.030 . 2 . . . . 59 GLU HB3 . 10104 1 682 . 1 1 59 59 GLU HG2 H 1 1.826 0.030 . 2 . . . . 59 GLU HG2 . 10104 1 683 . 1 1 59 59 GLU HG3 H 1 1.955 0.030 . 2 . . . . 59 GLU HG3 . 10104 1 684 . 1 1 59 59 GLU C C 13 174.735 0.300 . 1 . . . . 59 GLU C . 10104 1 685 . 1 1 59 59 GLU CA C 13 55.089 0.300 . 1 . . . . 59 GLU CA . 10104 1 686 . 1 1 59 59 GLU CB C 13 34.031 0.300 . 1 . . . . 59 GLU CB . 10104 1 687 . 1 1 59 59 GLU CG C 13 38.155 0.300 . 1 . . . . 59 GLU CG . 10104 1 688 . 1 1 59 59 GLU N N 15 122.008 0.300 . 1 . . . . 59 GLU N . 10104 1 689 . 1 1 60 60 LEU H H 1 9.446 0.030 . 1 . . . . 60 LEU H . 10104 1 690 . 1 1 60 60 LEU HA H 1 5.518 0.030 . 1 . . . . 60 LEU HA . 10104 1 691 . 1 1 60 60 LEU HB2 H 1 1.877 0.030 . 2 . . . . 60 LEU HB2 . 10104 1 692 . 1 1 60 60 LEU HB3 H 1 1.314 0.030 . 2 . . . . 60 LEU HB3 . 10104 1 693 . 1 1 60 60 LEU HG H 1 1.667 0.030 . 1 . . . . 60 LEU HG . 10104 1 694 . 1 1 60 60 LEU HD11 H 1 0.789 0.030 . 1 . . . . 60 LEU HD1 . 10104 1 695 . 1 1 60 60 LEU HD12 H 1 0.789 0.030 . 1 . . . . 60 LEU HD1 . 10104 1 696 . 1 1 60 60 LEU HD13 H 1 0.789 0.030 . 1 . . . . 60 LEU HD1 . 10104 1 697 . 1 1 60 60 LEU HD21 H 1 0.783 0.030 . 1 . . . . 60 LEU HD2 . 10104 1 698 . 1 1 60 60 LEU HD22 H 1 0.783 0.030 . 1 . . . . 60 LEU HD2 . 10104 1 699 . 1 1 60 60 LEU HD23 H 1 0.783 0.030 . 1 . . . . 60 LEU HD2 . 10104 1 700 . 1 1 60 60 LEU C C 13 176.299 0.300 . 1 . . . . 60 LEU C . 10104 1 701 . 1 1 60 60 LEU CA C 13 54.306 0.300 . 1 . . . . 60 LEU CA . 10104 1 702 . 1 1 60 60 LEU CB C 13 44.126 0.300 . 1 . . . . 60 LEU CB . 10104 1 703 . 1 1 60 60 LEU CG C 13 28.845 0.300 . 1 . . . . 60 LEU CG . 10104 1 704 . 1 1 60 60 LEU CD1 C 13 26.763 0.300 . 2 . . . . 60 LEU CD1 . 10104 1 705 . 1 1 60 60 LEU CD2 C 13 27.133 0.300 . 2 . . . . 60 LEU CD2 . 10104 1 706 . 1 1 60 60 LEU N N 15 129.188 0.300 . 1 . . . . 60 LEU N . 10104 1 707 . 1 1 61 61 ILE H H 1 8.670 0.030 . 1 . . . . 61 ILE H . 10104 1 708 . 1 1 61 61 ILE HA H 1 4.313 0.030 . 1 . . . . 61 ILE HA . 10104 1 709 . 1 1 61 61 ILE HB H 1 1.692 0.030 . 1 . . . . 61 ILE HB . 10104 1 710 . 1 1 61 61 ILE HG12 H 1 0.790 0.030 . 2 . . . . 61 ILE HG12 . 10104 1 711 . 1 1 61 61 ILE HG13 H 1 1.542 0.030 . 2 . . . . 61 ILE HG13 . 10104 1 712 . 1 1 61 61 ILE HG21 H 1 0.817 0.030 . 1 . . . . 61 ILE HG2 . 10104 1 713 . 1 1 61 61 ILE HG22 H 1 0.817 0.030 . 1 . . . . 61 ILE HG2 . 10104 1 714 . 1 1 61 61 ILE HG23 H 1 0.817 0.030 . 1 . . . . 61 ILE HG2 . 10104 1 715 . 1 1 61 61 ILE HD11 H 1 0.837 0.030 . 1 . . . . 61 ILE HD1 . 10104 1 716 . 1 1 61 61 ILE HD12 H 1 0.837 0.030 . 1 . . . . 61 ILE HD1 . 10104 1 717 . 1 1 61 61 ILE HD13 H 1 0.837 0.030 . 1 . . . . 61 ILE HD1 . 10104 1 718 . 1 1 61 61 ILE C C 13 176.238 0.300 . 1 . . . . 61 ILE C . 10104 1 719 . 1 1 61 61 ILE CA C 13 61.322 0.300 . 1 . . . . 61 ILE CA . 10104 1 720 . 1 1 61 61 ILE CB C 13 40.886 0.300 . 1 . . . . 61 ILE CB . 10104 1 721 . 1 1 61 61 ILE CG1 C 13 28.108 0.300 . 1 . . . . 61 ILE CG1 . 10104 1 722 . 1 1 61 61 ILE CG2 C 13 17.342 0.300 . 1 . . . . 61 ILE CG2 . 10104 1 723 . 1 1 61 61 ILE CD1 C 13 13.646 0.300 . 1 . . . . 61 ILE CD1 . 10104 1 724 . 1 1 61 61 ILE N N 15 120.584 0.300 . 1 . . . . 61 ILE N . 10104 1 725 . 1 1 62 62 ALA H H 1 9.863 0.030 . 1 . . . . 62 ALA H . 10104 1 726 . 1 1 62 62 ALA HA H 1 4.581 0.030 . 1 . . . . 62 ALA HA . 10104 1 727 . 1 1 62 62 ALA HB1 H 1 1.496 0.030 . 1 . . . . 62 ALA HB . 10104 1 728 . 1 1 62 62 ALA HB2 H 1 1.496 0.030 . 1 . . . . 62 ALA HB . 10104 1 729 . 1 1 62 62 ALA HB3 H 1 1.496 0.030 . 1 . . . . 62 ALA HB . 10104 1 730 . 1 1 62 62 ALA C C 13 176.287 0.300 . 1 . . . . 62 ALA C . 10104 1 731 . 1 1 62 62 ALA CA C 13 52.390 0.300 . 1 . . . . 62 ALA CA . 10104 1 732 . 1 1 62 62 ALA CB C 13 21.217 0.300 . 1 . . . . 62 ALA CB . 10104 1 733 . 1 1 62 62 ALA N N 15 133.404 0.300 . 1 . . . . 62 ALA N . 10104 1 734 . 1 1 63 63 ASP H H 1 8.947 0.030 . 1 . . . . 63 ASP H . 10104 1 735 . 1 1 63 63 ASP HA H 1 5.289 0.030 . 1 . . . . 63 ASP HA . 10104 1 736 . 1 1 63 63 ASP HB2 H 1 3.001 0.030 . 2 . . . . 63 ASP HB2 . 10104 1 737 . 1 1 63 63 ASP HB3 H 1 2.645 0.030 . 2 . . . . 63 ASP HB3 . 10104 1 738 . 1 1 63 63 ASP C C 13 174.601 0.300 . 1 . . . . 63 ASP C . 10104 1 739 . 1 1 63 63 ASP CA C 13 50.904 0.300 . 1 . . . . 63 ASP CA . 10104 1 740 . 1 1 63 63 ASP CB C 13 41.776 0.300 . 1 . . . . 63 ASP CB . 10104 1 741 . 1 1 63 63 ASP N N 15 119.881 0.300 . 1 . . . . 63 ASP N . 10104 1 742 . 1 1 64 64 PRO HA H 1 4.293 0.030 . 1 . . . . 64 PRO HA . 10104 1 743 . 1 1 64 64 PRO HB2 H 1 2.266 0.030 . 2 . . . . 64 PRO HB2 . 10104 1 744 . 1 1 64 64 PRO HB3 H 1 2.583 0.030 . 2 . . . . 64 PRO HB3 . 10104 1 745 . 1 1 64 64 PRO HG2 H 1 2.383 0.030 . 2 . . . . 64 PRO HG2 . 10104 1 746 . 1 1 64 64 PRO HG3 H 1 2.233 0.030 . 2 . . . . 64 PRO HG3 . 10104 1 747 . 1 1 64 64 PRO HD2 H 1 4.166 0.030 . 2 . . . . 64 PRO HD2 . 10104 1 748 . 1 1 64 64 PRO HD3 H 1 3.764 0.030 . 2 . . . . 64 PRO HD3 . 10104 1 749 . 1 1 64 64 PRO C C 13 177.097 0.300 . 1 . . . . 64 PRO C . 10104 1 750 . 1 1 64 64 PRO CA C 13 64.889 0.300 . 1 . . . . 64 PRO CA . 10104 1 751 . 1 1 64 64 PRO CB C 13 32.694 0.300 . 1 . . . . 64 PRO CB . 10104 1 752 . 1 1 64 64 PRO CG C 13 27.663 0.300 . 1 . . . . 64 PRO CG . 10104 1 753 . 1 1 64 64 PRO CD C 13 50.992 0.300 . 1 . . . . 64 PRO CD . 10104 1 754 . 1 1 65 65 GLU H H 1 8.156 0.030 . 1 . . . . 65 GLU H . 10104 1 755 . 1 1 65 65 GLU HA H 1 4.135 0.030 . 1 . . . . 65 GLU HA . 10104 1 756 . 1 1 65 65 GLU HB2 H 1 2.159 0.030 . 1 . . . . 65 GLU HB2 . 10104 1 757 . 1 1 65 65 GLU HB3 H 1 2.159 0.030 . 1 . . . . 65 GLU HB3 . 10104 1 758 . 1 1 65 65 GLU HG2 H 1 2.319 0.030 . 1 . . . . 65 GLU HG2 . 10104 1 759 . 1 1 65 65 GLU HG3 H 1 2.319 0.030 . 1 . . . . 65 GLU HG3 . 10104 1 760 . 1 1 65 65 GLU C C 13 177.512 0.300 . 1 . . . . 65 GLU C . 10104 1 761 . 1 1 65 65 GLU CA C 13 59.195 0.300 . 1 . . . . 65 GLU CA . 10104 1 762 . 1 1 65 65 GLU CB C 13 29.375 0.300 . 1 . . . . 65 GLU CB . 10104 1 763 . 1 1 65 65 GLU CG C 13 36.373 0.300 . 1 . . . . 65 GLU CG . 10104 1 764 . 1 1 65 65 GLU N N 15 116.932 0.300 . 1 . . . . 65 GLU N . 10104 1 765 . 1 1 66 66 SER H H 1 7.297 0.030 . 1 . . . . 66 SER H . 10104 1 766 . 1 1 66 66 SER HA H 1 4.327 0.030 . 1 . . . . 66 SER HA . 10104 1 767 . 1 1 66 66 SER HB2 H 1 3.935 0.030 . 2 . . . . 66 SER HB2 . 10104 1 768 . 1 1 66 66 SER HB3 H 1 3.779 0.030 . 2 . . . . 66 SER HB3 . 10104 1 769 . 1 1 66 66 SER C C 13 174.613 0.300 . 1 . . . . 66 SER C . 10104 1 770 . 1 1 66 66 SER CA C 13 58.560 0.300 . 1 . . . . 66 SER CA . 10104 1 771 . 1 1 66 66 SER CB C 13 63.902 0.300 . 1 . . . . 66 SER CB . 10104 1 772 . 1 1 66 66 SER N N 15 110.864 0.300 . 1 . . . . 66 SER N . 10104 1 773 . 1 1 67 67 ARG H H 1 8.094 0.030 . 1 . . . . 67 ARG H . 10104 1 774 . 1 1 67 67 ARG HA H 1 3.572 0.030 . 1 . . . . 67 ARG HA . 10104 1 775 . 1 1 67 67 ARG HB2 H 1 1.445 0.030 . 2 . . . . 67 ARG HB2 . 10104 1 776 . 1 1 67 67 ARG HB3 H 1 2.165 0.030 . 2 . . . . 67 ARG HB3 . 10104 1 777 . 1 1 67 67 ARG HG2 H 1 1.157 0.030 . 2 . . . . 67 ARG HG2 . 10104 1 778 . 1 1 67 67 ARG HG3 H 1 0.948 0.030 . 2 . . . . 67 ARG HG3 . 10104 1 779 . 1 1 67 67 ARG HD2 H 1 2.137 0.030 . 2 . . . . 67 ARG HD2 . 10104 1 780 . 1 1 67 67 ARG HD3 H 1 2.031 0.030 . 2 . . . . 67 ARG HD3 . 10104 1 781 . 1 1 67 67 ARG HE H 1 6.319 0.030 . 1 . . . . 67 ARG HE . 10104 1 782 . 1 1 67 67 ARG C C 13 173.947 0.300 . 1 . . . . 67 ARG C . 10104 1 783 . 1 1 67 67 ARG CA C 13 57.708 0.300 . 1 . . . . 67 ARG CA . 10104 1 784 . 1 1 67 67 ARG CB C 13 26.656 0.300 . 1 . . . . 67 ARG CB . 10104 1 785 . 1 1 67 67 ARG CG C 13 27.183 0.300 . 1 . . . . 67 ARG CG . 10104 1 786 . 1 1 67 67 ARG CD C 13 43.130 0.300 . 1 . . . . 67 ARG CD . 10104 1 787 . 1 1 67 67 ARG N N 15 117.824 0.300 . 1 . . . . 67 ARG N . 10104 1 788 . 1 1 67 67 ARG NE N 15 85.064 0.300 . 1 . . . . 67 ARG NE . 10104 1 789 . 1 1 68 68 THR H H 1 7.473 0.030 . 1 . . . . 68 THR H . 10104 1 790 . 1 1 68 68 THR HA H 1 5.119 0.030 . 1 . . . . 68 THR HA . 10104 1 791 . 1 1 68 68 THR HB H 1 3.942 0.030 . 1 . . . . 68 THR HB . 10104 1 792 . 1 1 68 68 THR HG21 H 1 1.087 0.030 . 1 . . . . 68 THR HG2 . 10104 1 793 . 1 1 68 68 THR HG22 H 1 1.087 0.030 . 1 . . . . 68 THR HG2 . 10104 1 794 . 1 1 68 68 THR HG23 H 1 1.087 0.030 . 1 . . . . 68 THR HG2 . 10104 1 795 . 1 1 68 68 THR C C 13 173.328 0.300 . 1 . . . . 68 THR C . 10104 1 796 . 1 1 68 68 THR CA C 13 59.201 0.300 . 1 . . . . 68 THR CA . 10104 1 797 . 1 1 68 68 THR CB C 13 73.758 0.300 . 1 . . . . 68 THR CB . 10104 1 798 . 1 1 68 68 THR CG2 C 13 21.878 0.300 . 1 . . . . 68 THR CG2 . 10104 1 799 . 1 1 68 68 THR N N 15 105.820 0.300 . 1 . . . . 68 THR N . 10104 1 800 . 1 1 69 69 VAL H H 1 8.689 0.030 . 1 . . . . 69 VAL H . 10104 1 801 . 1 1 69 69 VAL HA H 1 4.539 0.030 . 1 . . . . 69 VAL HA . 10104 1 802 . 1 1 69 69 VAL HB H 1 1.851 0.030 . 1 . . . . 69 VAL HB . 10104 1 803 . 1 1 69 69 VAL HG11 H 1 0.789 0.030 . 1 . . . . 69 VAL HG1 . 10104 1 804 . 1 1 69 69 VAL HG12 H 1 0.789 0.030 . 1 . . . . 69 VAL HG1 . 10104 1 805 . 1 1 69 69 VAL HG13 H 1 0.789 0.030 . 1 . . . . 69 VAL HG1 . 10104 1 806 . 1 1 69 69 VAL HG21 H 1 0.840 0.030 . 1 . . . . 69 VAL HG2 . 10104 1 807 . 1 1 69 69 VAL HG22 H 1 0.840 0.030 . 1 . . . . 69 VAL HG2 . 10104 1 808 . 1 1 69 69 VAL HG23 H 1 0.840 0.030 . 1 . . . . 69 VAL HG2 . 10104 1 809 . 1 1 69 69 VAL C C 13 173.886 0.300 . 1 . . . . 69 VAL C . 10104 1 810 . 1 1 69 69 VAL CA C 13 60.475 0.300 . 1 . . . . 69 VAL CA . 10104 1 811 . 1 1 69 69 VAL CB C 13 36.616 0.300 . 1 . . . . 69 VAL CB . 10104 1 812 . 1 1 69 69 VAL CG1 C 13 22.579 0.300 . 2 . . . . 69 VAL CG1 . 10104 1 813 . 1 1 69 69 VAL CG2 C 13 25.077 0.300 . 2 . . . . 69 VAL CG2 . 10104 1 814 . 1 1 69 69 VAL N N 15 118.077 0.300 . 1 . . . . 69 VAL N . 10104 1 815 . 1 1 70 70 ALA H H 1 8.584 0.030 . 1 . . . . 70 ALA H . 10104 1 816 . 1 1 70 70 ALA HA H 1 4.745 0.030 . 1 . . . . 70 ALA HA . 10104 1 817 . 1 1 70 70 ALA HB1 H 1 1.463 0.030 . 1 . . . . 70 ALA HB . 10104 1 818 . 1 1 70 70 ALA HB2 H 1 1.463 0.030 . 1 . . . . 70 ALA HB . 10104 1 819 . 1 1 70 70 ALA HB3 H 1 1.463 0.030 . 1 . . . . 70 ALA HB . 10104 1 820 . 1 1 70 70 ALA C C 13 176.603 0.300 . 1 . . . . 70 ALA C . 10104 1 821 . 1 1 70 70 ALA CA C 13 51.795 0.300 . 1 . . . . 70 ALA CA . 10104 1 822 . 1 1 70 70 ALA CB C 13 19.902 0.300 . 1 . . . . 70 ALA CB . 10104 1 823 . 1 1 70 70 ALA N N 15 130.886 0.300 . 1 . . . . 70 ALA N . 10104 1 824 . 1 1 71 71 VAL H H 1 8.575 0.030 . 1 . . . . 71 VAL H . 10104 1 825 . 1 1 71 71 VAL HA H 1 4.823 0.030 . 1 . . . . 71 VAL HA . 10104 1 826 . 1 1 71 71 VAL HB H 1 1.887 0.030 . 1 . . . . 71 VAL HB . 10104 1 827 . 1 1 71 71 VAL HG11 H 1 0.699 0.030 . 1 . . . . 71 VAL HG1 . 10104 1 828 . 1 1 71 71 VAL HG12 H 1 0.699 0.030 . 1 . . . . 71 VAL HG1 . 10104 1 829 . 1 1 71 71 VAL HG13 H 1 0.699 0.030 . 1 . . . . 71 VAL HG1 . 10104 1 830 . 1 1 71 71 VAL HG21 H 1 0.852 0.030 . 1 . . . . 71 VAL HG2 . 10104 1 831 . 1 1 71 71 VAL HG22 H 1 0.852 0.030 . 1 . . . . 71 VAL HG2 . 10104 1 832 . 1 1 71 71 VAL HG23 H 1 0.852 0.030 . 1 . . . . 71 VAL HG2 . 10104 1 833 . 1 1 71 71 VAL C C 13 173.486 0.300 . 1 . . . . 71 VAL C . 10104 1 834 . 1 1 71 71 VAL CA C 13 60.652 0.300 . 1 . . . . 71 VAL CA . 10104 1 835 . 1 1 71 71 VAL CB C 13 34.032 0.300 . 1 . . . . 71 VAL CB . 10104 1 836 . 1 1 71 71 VAL CG1 C 13 21.288 0.300 . 2 . . . . 71 VAL CG1 . 10104 1 837 . 1 1 71 71 VAL CG2 C 13 21.111 0.300 . 2 . . . . 71 VAL CG2 . 10104 1 838 . 1 1 71 71 VAL N N 15 122.998 0.300 . 1 . . . . 71 VAL N . 10104 1 839 . 1 1 72 72 LYS H H 1 9.128 0.030 . 1 . . . . 72 LYS H . 10104 1 840 . 1 1 72 72 LYS HA H 1 5.149 0.030 . 1 . . . . 72 LYS HA . 10104 1 841 . 1 1 72 72 LYS HB2 H 1 1.750 0.030 . 1 . . . . 72 LYS HB2 . 10104 1 842 . 1 1 72 72 LYS HB3 H 1 1.750 0.030 . 1 . . . . 72 LYS HB3 . 10104 1 843 . 1 1 72 72 LYS HG2 H 1 1.005 0.030 . 2 . . . . 72 LYS HG2 . 10104 1 844 . 1 1 72 72 LYS HG3 H 1 1.162 0.030 . 2 . . . . 72 LYS HG3 . 10104 1 845 . 1 1 72 72 LYS HD2 H 1 1.578 0.030 . 1 . . . . 72 LYS HD2 . 10104 1 846 . 1 1 72 72 LYS HD3 H 1 1.578 0.030 . 1 . . . . 72 LYS HD3 . 10104 1 847 . 1 1 72 72 LYS HE2 H 1 2.835 0.030 . 1 . . . . 72 LYS HE2 . 10104 1 848 . 1 1 72 72 LYS HE3 H 1 2.835 0.030 . 1 . . . . 72 LYS HE3 . 10104 1 849 . 1 1 72 72 LYS C C 13 176.554 0.300 . 1 . . . . 72 LYS C . 10104 1 850 . 1 1 72 72 LYS CA C 13 54.278 0.300 . 1 . . . . 72 LYS CA . 10104 1 851 . 1 1 72 72 LYS CB C 13 35.979 0.300 . 1 . . . . 72 LYS CB . 10104 1 852 . 1 1 72 72 LYS CG C 13 24.758 0.300 . 1 . . . . 72 LYS CG . 10104 1 853 . 1 1 72 72 LYS CD C 13 29.729 0.300 . 1 . . . . 72 LYS CD . 10104 1 854 . 1 1 72 72 LYS CE C 13 41.740 0.300 . 1 . . . . 72 LYS CE . 10104 1 855 . 1 1 72 72 LYS N N 15 127.474 0.300 . 1 . . . . 72 LYS N . 10104 1 856 . 1 1 73 73 GLN H H 1 8.671 0.030 . 1 . . . . 73 GLN H . 10104 1 857 . 1 1 73 73 GLN HA H 1 4.474 0.030 . 1 . . . . 73 GLN HA . 10104 1 858 . 1 1 73 73 GLN HB2 H 1 2.151 0.030 . 2 . . . . 73 GLN HB2 . 10104 1 859 . 1 1 73 73 GLN HB3 H 1 2.321 0.030 . 2 . . . . 73 GLN HB3 . 10104 1 860 . 1 1 73 73 GLN HG2 H 1 2.311 0.030 . 2 . . . . 73 GLN HG2 . 10104 1 861 . 1 1 73 73 GLN HG3 H 1 2.088 0.030 . 2 . . . . 73 GLN HG3 . 10104 1 862 . 1 1 73 73 GLN HE21 H 1 7.140 0.030 . 2 . . . . 73 GLN HE21 . 10104 1 863 . 1 1 73 73 GLN HE22 H 1 6.269 0.030 . 2 . . . . 73 GLN HE22 . 10104 1 864 . 1 1 73 73 GLN C C 13 175.063 0.300 . 1 . . . . 73 GLN C . 10104 1 865 . 1 1 73 73 GLN CA C 13 57.514 0.300 . 1 . . . . 73 GLN CA . 10104 1 866 . 1 1 73 73 GLN CB C 13 29.447 0.300 . 1 . . . . 73 GLN CB . 10104 1 867 . 1 1 73 73 GLN CG C 13 34.669 0.300 . 1 . . . . 73 GLN CG . 10104 1 868 . 1 1 73 73 GLN N N 15 126.562 0.300 . 1 . . . . 73 GLN N . 10104 1 869 . 1 1 73 73 GLN NE2 N 15 112.249 0.300 . 1 . . . . 73 GLN NE2 . 10104 1 870 . 1 1 74 74 LEU H H 1 8.410 0.030 . 1 . . . . 74 LEU H . 10104 1 871 . 1 1 74 74 LEU HA H 1 4.661 0.030 . 1 . . . . 74 LEU HA . 10104 1 872 . 1 1 74 74 LEU HB2 H 1 1.564 0.030 . 2 . . . . 74 LEU HB2 . 10104 1 873 . 1 1 74 74 LEU HB3 H 1 1.414 0.030 . 2 . . . . 74 LEU HB3 . 10104 1 874 . 1 1 74 74 LEU HG H 1 1.499 0.030 . 1 . . . . 74 LEU HG . 10104 1 875 . 1 1 74 74 LEU HD11 H 1 0.740 0.030 . 1 . . . . 74 LEU HD1 . 10104 1 876 . 1 1 74 74 LEU HD12 H 1 0.740 0.030 . 1 . . . . 74 LEU HD1 . 10104 1 877 . 1 1 74 74 LEU HD13 H 1 0.740 0.030 . 1 . . . . 74 LEU HD1 . 10104 1 878 . 1 1 74 74 LEU HD21 H 1 0.751 0.030 . 1 . . . . 74 LEU HD2 . 10104 1 879 . 1 1 74 74 LEU HD22 H 1 0.751 0.030 . 1 . . . . 74 LEU HD2 . 10104 1 880 . 1 1 74 74 LEU HD23 H 1 0.751 0.030 . 1 . . . . 74 LEU HD2 . 10104 1 881 . 1 1 74 74 LEU C C 13 178.482 0.300 . 1 . . . . 74 LEU C . 10104 1 882 . 1 1 74 74 LEU CA C 13 54.641 0.300 . 1 . . . . 74 LEU CA . 10104 1 883 . 1 1 74 74 LEU CB C 13 43.136 0.300 . 1 . . . . 74 LEU CB . 10104 1 884 . 1 1 74 74 LEU CG C 13 26.957 0.300 . 1 . . . . 74 LEU CG . 10104 1 885 . 1 1 74 74 LEU CD1 C 13 26.418 0.300 . 2 . . . . 74 LEU CD1 . 10104 1 886 . 1 1 74 74 LEU CD2 C 13 21.965 0.300 . 2 . . . . 74 LEU CD2 . 10104 1 887 . 1 1 74 74 LEU N N 15 128.068 0.300 . 1 . . . . 74 LEU N . 10104 1 888 . 1 1 75 75 GLY H H 1 8.054 0.030 . 1 . . . . 75 GLY H . 10104 1 889 . 1 1 75 75 GLY HA2 H 1 3.847 0.030 . 2 . . . . 75 GLY HA2 . 10104 1 890 . 1 1 75 75 GLY HA3 H 1 4.401 0.030 . 2 . . . . 75 GLY HA3 . 10104 1 891 . 1 1 75 75 GLY C C 13 172.346 0.300 . 1 . . . . 75 GLY C . 10104 1 892 . 1 1 75 75 GLY CA C 13 44.693 0.300 . 1 . . . . 75 GLY CA . 10104 1 893 . 1 1 75 75 GLY N N 15 105.490 0.300 . 1 . . . . 75 GLY N . 10104 1 894 . 1 1 76 76 VAL H H 1 7.565 0.030 . 1 . . . . 76 VAL H . 10104 1 895 . 1 1 76 76 VAL HA H 1 3.941 0.030 . 1 . . . . 76 VAL HA . 10104 1 896 . 1 1 76 76 VAL HB H 1 2.056 0.030 . 1 . . . . 76 VAL HB . 10104 1 897 . 1 1 76 76 VAL HG11 H 1 1.030 0.030 . 1 . . . . 76 VAL HG1 . 10104 1 898 . 1 1 76 76 VAL HG12 H 1 1.030 0.030 . 1 . . . . 76 VAL HG1 . 10104 1 899 . 1 1 76 76 VAL HG13 H 1 1.030 0.030 . 1 . . . . 76 VAL HG1 . 10104 1 900 . 1 1 76 76 VAL HG21 H 1 0.979 0.030 . 1 . . . . 76 VAL HG2 . 10104 1 901 . 1 1 76 76 VAL HG22 H 1 0.979 0.030 . 1 . . . . 76 VAL HG2 . 10104 1 902 . 1 1 76 76 VAL HG23 H 1 0.979 0.030 . 1 . . . . 76 VAL HG2 . 10104 1 903 . 1 1 76 76 VAL C C 13 176.760 0.300 . 1 . . . . 76 VAL C . 10104 1 904 . 1 1 76 76 VAL CA C 13 64.763 0.300 . 1 . . . . 76 VAL CA . 10104 1 905 . 1 1 76 76 VAL CB C 13 32.671 0.300 . 1 . . . . 76 VAL CB . 10104 1 906 . 1 1 76 76 VAL CG1 C 13 21.071 0.300 . 2 . . . . 76 VAL CG1 . 10104 1 907 . 1 1 76 76 VAL CG2 C 13 20.830 0.300 . 2 . . . . 76 VAL CG2 . 10104 1 908 . 1 1 76 76 VAL N N 15 116.302 0.300 . 1 . . . . 76 VAL N . 10104 1 909 . 1 1 77 77 ASN H H 1 9.053 0.030 . 1 . . . . 77 ASN H . 10104 1 910 . 1 1 77 77 ASN HA H 1 5.112 0.030 . 1 . . . . 77 ASN HA . 10104 1 911 . 1 1 77 77 ASN HB2 H 1 2.762 0.030 . 2 . . . . 77 ASN HB2 . 10104 1 912 . 1 1 77 77 ASN HB3 H 1 2.692 0.030 . 2 . . . . 77 ASN HB3 . 10104 1 913 . 1 1 77 77 ASN HD21 H 1 8.351 0.030 . 2 . . . . 77 ASN HD21 . 10104 1 914 . 1 1 77 77 ASN HD22 H 1 7.321 0.030 . 2 . . . . 77 ASN HD22 . 10104 1 915 . 1 1 77 77 ASN C C 13 172.999 0.300 . 1 . . . . 77 ASN C . 10104 1 916 . 1 1 77 77 ASN CA C 13 51.278 0.300 . 1 . . . . 77 ASN CA . 10104 1 917 . 1 1 77 77 ASN CB C 13 38.082 0.300 . 1 . . . . 77 ASN CB . 10104 1 918 . 1 1 77 77 ASN N N 15 121.638 0.300 . 1 . . . . 77 ASN N . 10104 1 919 . 1 1 77 77 ASN ND2 N 15 116.726 0.300 . 1 . . . . 77 ASN ND2 . 10104 1 920 . 1 1 78 78 PRO HA H 1 4.550 0.030 . 1 . . . . 78 PRO HA . 10104 1 921 . 1 1 78 78 PRO HB2 H 1 1.757 0.030 . 2 . . . . 78 PRO HB2 . 10104 1 922 . 1 1 78 78 PRO HB3 H 1 2.414 0.030 . 2 . . . . 78 PRO HB3 . 10104 1 923 . 1 1 78 78 PRO HG2 H 1 2.166 0.030 . 2 . . . . 78 PRO HG2 . 10104 1 924 . 1 1 78 78 PRO HG3 H 1 2.090 0.030 . 2 . . . . 78 PRO HG3 . 10104 1 925 . 1 1 78 78 PRO HD2 H 1 3.841 0.030 . 1 . . . . 78 PRO HD2 . 10104 1 926 . 1 1 78 78 PRO HD3 H 1 3.841 0.030 . 1 . . . . 78 PRO HD3 . 10104 1 927 . 1 1 78 78 PRO C C 13 179.569 0.300 . 1 . . . . 78 PRO C . 10104 1 928 . 1 1 78 78 PRO CA C 13 64.431 0.300 . 1 . . . . 78 PRO CA . 10104 1 929 . 1 1 78 78 PRO CB C 13 33.106 0.300 . 1 . . . . 78 PRO CB . 10104 1 930 . 1 1 78 78 PRO CG C 13 28.242 0.300 . 1 . . . . 78 PRO CG . 10104 1 931 . 1 1 78 78 PRO CD C 13 50.468 0.300 . 1 . . . . 78 PRO CD . 10104 1 932 . 1 1 79 79 SER H H 1 8.546 0.030 . 1 . . . . 79 SER H . 10104 1 933 . 1 1 79 79 SER HA H 1 4.690 0.030 . 1 . . . . 79 SER HA . 10104 1 934 . 1 1 79 79 SER HB2 H 1 3.493 0.030 . 2 . . . . 79 SER HB2 . 10104 1 935 . 1 1 79 79 SER HB3 H 1 3.901 0.030 . 2 . . . . 79 SER HB3 . 10104 1 936 . 1 1 79 79 SER C C 13 172.540 0.300 . 1 . . . . 79 SER C . 10104 1 937 . 1 1 79 79 SER CA C 13 58.983 0.300 . 1 . . . . 79 SER CA . 10104 1 938 . 1 1 79 79 SER CB C 13 65.172 0.300 . 1 . . . . 79 SER CB . 10104 1 939 . 1 1 79 79 SER N N 15 123.205 0.300 . 1 . . . . 79 SER N . 10104 1 940 . 1 1 80 80 THR H H 1 8.473 0.030 . 1 . . . . 80 THR H . 10104 1 941 . 1 1 80 80 THR HA H 1 5.124 0.030 . 1 . . . . 80 THR HA . 10104 1 942 . 1 1 80 80 THR HB H 1 4.014 0.030 . 1 . . . . 80 THR HB . 10104 1 943 . 1 1 80 80 THR HG21 H 1 0.904 0.030 . 1 . . . . 80 THR HG2 . 10104 1 944 . 1 1 80 80 THR HG22 H 1 0.904 0.030 . 1 . . . . 80 THR HG2 . 10104 1 945 . 1 1 80 80 THR HG23 H 1 0.904 0.030 . 1 . . . . 80 THR HG2 . 10104 1 946 . 1 1 80 80 THR C C 13 172.819 0.300 . 1 . . . . 80 THR C . 10104 1 947 . 1 1 80 80 THR CA C 13 61.878 0.300 . 1 . . . . 80 THR CA . 10104 1 948 . 1 1 80 80 THR CB C 13 71.030 0.300 . 1 . . . . 80 THR CB . 10104 1 949 . 1 1 80 80 THR CG2 C 13 21.096 0.300 . 1 . . . . 80 THR CG2 . 10104 1 950 . 1 1 80 80 THR N N 15 117.757 0.300 . 1 . . . . 80 THR N . 10104 1 951 . 1 1 81 81 VAL H H 1 9.012 0.030 . 1 . . . . 81 VAL H . 10104 1 952 . 1 1 81 81 VAL HA H 1 4.366 0.030 . 1 . . . . 81 VAL HA . 10104 1 953 . 1 1 81 81 VAL HB H 1 2.069 0.030 . 1 . . . . 81 VAL HB . 10104 1 954 . 1 1 81 81 VAL HG11 H 1 0.839 0.030 . 1 . . . . 81 VAL HG1 . 10104 1 955 . 1 1 81 81 VAL HG12 H 1 0.839 0.030 . 1 . . . . 81 VAL HG1 . 10104 1 956 . 1 1 81 81 VAL HG13 H 1 0.839 0.030 . 1 . . . . 81 VAL HG1 . 10104 1 957 . 1 1 81 81 VAL HG21 H 1 0.902 0.030 . 1 . . . . 81 VAL HG2 . 10104 1 958 . 1 1 81 81 VAL HG22 H 1 0.902 0.030 . 1 . . . . 81 VAL HG2 . 10104 1 959 . 1 1 81 81 VAL HG23 H 1 0.902 0.030 . 1 . . . . 81 VAL HG2 . 10104 1 960 . 1 1 81 81 VAL C C 13 175.875 0.300 . 1 . . . . 81 VAL C . 10104 1 961 . 1 1 81 81 VAL CA C 13 60.515 0.300 . 1 . . . . 81 VAL CA . 10104 1 962 . 1 1 81 81 VAL CB C 13 32.494 0.300 . 1 . . . . 81 VAL CB . 10104 1 963 . 1 1 81 81 VAL CG1 C 13 22.888 0.300 . 2 . . . . 81 VAL CG1 . 10104 1 964 . 1 1 81 81 VAL CG2 C 13 21.900 0.300 . 2 . . . . 81 VAL CG2 . 10104 1 965 . 1 1 81 81 VAL N N 15 127.136 0.300 . 1 . . . . 81 VAL N . 10104 1 966 . 1 1 82 82 GLY H H 1 9.344 0.030 . 1 . . . . 82 GLY H . 10104 1 967 . 1 1 82 82 GLY HA2 H 1 3.918 0.030 . 2 . . . . 82 GLY HA2 . 10104 1 968 . 1 1 82 82 GLY HA3 H 1 4.355 0.030 . 2 . . . . 82 GLY HA3 . 10104 1 969 . 1 1 82 82 GLY C C 13 174.141 0.300 . 1 . . . . 82 GLY C . 10104 1 970 . 1 1 82 82 GLY CA C 13 47.513 0.300 . 1 . . . . 82 GLY CA . 10104 1 971 . 1 1 82 82 GLY N N 15 118.969 0.300 . 1 . . . . 82 GLY N . 10104 1 972 . 1 1 83 83 VAL H H 1 8.616 0.030 . 1 . . . . 83 VAL H . 10104 1 973 . 1 1 83 83 VAL HA H 1 4.413 0.030 . 1 . . . . 83 VAL HA . 10104 1 974 . 1 1 83 83 VAL HB H 1 2.475 0.030 . 1 . . . . 83 VAL HB . 10104 1 975 . 1 1 83 83 VAL HG11 H 1 0.880 0.030 . 1 . . . . 83 VAL HG1 . 10104 1 976 . 1 1 83 83 VAL HG12 H 1 0.880 0.030 . 1 . . . . 83 VAL HG1 . 10104 1 977 . 1 1 83 83 VAL HG13 H 1 0.880 0.030 . 1 . . . . 83 VAL HG1 . 10104 1 978 . 1 1 83 83 VAL HG21 H 1 0.954 0.030 . 1 . . . . 83 VAL HG2 . 10104 1 979 . 1 1 83 83 VAL HG22 H 1 0.954 0.030 . 1 . . . . 83 VAL HG2 . 10104 1 980 . 1 1 83 83 VAL HG23 H 1 0.954 0.030 . 1 . . . . 83 VAL HG2 . 10104 1 981 . 1 1 83 83 VAL C C 13 176.008 0.300 . 1 . . . . 83 VAL C . 10104 1 982 . 1 1 83 83 VAL CA C 13 60.951 0.300 . 1 . . . . 83 VAL CA . 10104 1 983 . 1 1 83 83 VAL CB C 13 31.971 0.300 . 1 . . . . 83 VAL CB . 10104 1 984 . 1 1 83 83 VAL CG1 C 13 18.304 0.300 . 2 . . . . 83 VAL CG1 . 10104 1 985 . 1 1 83 83 VAL CG2 C 13 21.157 0.300 . 2 . . . . 83 VAL CG2 . 10104 1 986 . 1 1 83 83 VAL N N 15 120.491 0.300 . 1 . . . . 83 VAL N . 10104 1 987 . 1 1 84 84 GLN H H 1 8.301 0.030 . 1 . . . . 84 GLN H . 10104 1 988 . 1 1 84 84 GLN HA H 1 4.502 0.030 . 1 . . . . 84 GLN HA . 10104 1 989 . 1 1 84 84 GLN HB2 H 1 2.088 0.030 . 2 . . . . 84 GLN HB2 . 10104 1 990 . 1 1 84 84 GLN HB3 H 1 2.319 0.030 . 2 . . . . 84 GLN HB3 . 10104 1 991 . 1 1 84 84 GLN HG2 H 1 2.258 0.030 . 2 . . . . 84 GLN HG2 . 10104 1 992 . 1 1 84 84 GLN HG3 H 1 2.360 0.030 . 2 . . . . 84 GLN HG3 . 10104 1 993 . 1 1 84 84 GLN HE21 H 1 7.613 0.030 . 2 . . . . 84 GLN HE21 . 10104 1 994 . 1 1 84 84 GLN HE22 H 1 6.917 0.030 . 2 . . . . 84 GLN HE22 . 10104 1 995 . 1 1 84 84 GLN C C 13 173.740 0.300 . 1 . . . . 84 GLN C . 10104 1 996 . 1 1 84 84 GLN CA C 13 55.081 0.300 . 1 . . . . 84 GLN CA . 10104 1 997 . 1 1 84 84 GLN CB C 13 30.364 0.300 . 1 . . . . 84 GLN CB . 10104 1 998 . 1 1 84 84 GLN CG C 13 33.580 0.300 . 1 . . . . 84 GLN CG . 10104 1 999 . 1 1 84 84 GLN N N 15 124.136 0.300 . 1 . . . . 84 GLN N . 10104 1 1000 . 1 1 84 84 GLN NE2 N 15 111.617 0.300 . 1 . . . . 84 GLN NE2 . 10104 1 1001 . 1 1 85 85 GLU H H 1 8.862 0.030 . 1 . . . . 85 GLU H . 10104 1 1002 . 1 1 85 85 GLU HA H 1 4.605 0.030 . 1 . . . . 85 GLU HA . 10104 1 1003 . 1 1 85 85 GLU HB2 H 1 1.951 0.030 . 2 . . . . 85 GLU HB2 . 10104 1 1004 . 1 1 85 85 GLU HB3 H 1 2.012 0.030 . 2 . . . . 85 GLU HB3 . 10104 1 1005 . 1 1 85 85 GLU HG2 H 1 2.150 0.030 . 2 . . . . 85 GLU HG2 . 10104 1 1006 . 1 1 85 85 GLU HG3 H 1 2.395 0.030 . 2 . . . . 85 GLU HG3 . 10104 1 1007 . 1 1 85 85 GLU C C 13 176.760 0.300 . 1 . . . . 85 GLU C . 10104 1 1008 . 1 1 85 85 GLU CA C 13 56.856 0.300 . 1 . . . . 85 GLU CA . 10104 1 1009 . 1 1 85 85 GLU CB C 13 31.064 0.300 . 1 . . . . 85 GLU CB . 10104 1 1010 . 1 1 85 85 GLU CG C 13 37.897 0.300 . 1 . . . . 85 GLU CG . 10104 1 1011 . 1 1 85 85 GLU N N 15 130.091 0.300 . 1 . . . . 85 GLU N . 10104 1 1012 . 1 1 86 86 LEU H H 1 8.730 0.030 . 1 . . . . 86 LEU H . 10104 1 1013 . 1 1 86 86 LEU HA H 1 4.594 0.030 . 1 . . . . 86 LEU HA . 10104 1 1014 . 1 1 86 86 LEU HB2 H 1 2.459 0.030 . 2 . . . . 86 LEU HB2 . 10104 1 1015 . 1 1 86 86 LEU HB3 H 1 1.276 0.030 . 2 . . . . 86 LEU HB3 . 10104 1 1016 . 1 1 86 86 LEU HG H 1 1.608 0.030 . 1 . . . . 86 LEU HG . 10104 1 1017 . 1 1 86 86 LEU HD11 H 1 0.805 0.030 . 1 . . . . 86 LEU HD1 . 10104 1 1018 . 1 1 86 86 LEU HD12 H 1 0.805 0.030 . 1 . . . . 86 LEU HD1 . 10104 1 1019 . 1 1 86 86 LEU HD13 H 1 0.805 0.030 . 1 . . . . 86 LEU HD1 . 10104 1 1020 . 1 1 86 86 LEU HD21 H 1 0.609 0.030 . 1 . . . . 86 LEU HD2 . 10104 1 1021 . 1 1 86 86 LEU HD22 H 1 0.609 0.030 . 1 . . . . 86 LEU HD2 . 10104 1 1022 . 1 1 86 86 LEU HD23 H 1 0.609 0.030 . 1 . . . . 86 LEU HD2 . 10104 1 1023 . 1 1 86 86 LEU C C 13 173.935 0.300 . 1 . . . . 86 LEU C . 10104 1 1024 . 1 1 86 86 LEU CA C 13 54.138 0.300 . 1 . . . . 86 LEU CA . 10104 1 1025 . 1 1 86 86 LEU CB C 13 42.679 0.300 . 1 . . . . 86 LEU CB . 10104 1 1026 . 1 1 86 86 LEU CG C 13 27.220 0.300 . 1 . . . . 86 LEU CG . 10104 1 1027 . 1 1 86 86 LEU CD1 C 13 26.148 0.300 . 2 . . . . 86 LEU CD1 . 10104 1 1028 . 1 1 86 86 LEU CD2 C 13 22.410 0.300 . 2 . . . . 86 LEU CD2 . 10104 1 1029 . 1 1 86 86 LEU N N 15 127.123 0.300 . 1 . . . . 86 LEU N . 10104 1 1030 . 1 1 87 87 LYS H H 1 6.830 0.030 . 1 . . . . 87 LYS H . 10104 1 1031 . 1 1 87 87 LYS HA H 1 4.694 0.030 . 1 . . . . 87 LYS HA . 10104 1 1032 . 1 1 87 87 LYS HB2 H 1 1.451 0.030 . 2 . . . . 87 LYS HB2 . 10104 1 1033 . 1 1 87 87 LYS HB3 H 1 1.988 0.030 . 2 . . . . 87 LYS HB3 . 10104 1 1034 . 1 1 87 87 LYS HG2 H 1 1.489 0.030 . 1 . . . . 87 LYS HG2 . 10104 1 1035 . 1 1 87 87 LYS HG3 H 1 1.489 0.030 . 1 . . . . 87 LYS HG3 . 10104 1 1036 . 1 1 87 87 LYS HD2 H 1 1.776 0.030 . 2 . . . . 87 LYS HD2 . 10104 1 1037 . 1 1 87 87 LYS HD3 H 1 1.682 0.030 . 2 . . . . 87 LYS HD3 . 10104 1 1038 . 1 1 87 87 LYS HE2 H 1 3.039 0.030 . 1 . . . . 87 LYS HE2 . 10104 1 1039 . 1 1 87 87 LYS HE3 H 1 3.039 0.030 . 1 . . . . 87 LYS HE3 . 10104 1 1040 . 1 1 87 87 LYS C C 13 173.727 0.300 . 1 . . . . 87 LYS C . 10104 1 1041 . 1 1 87 87 LYS CA C 13 53.988 0.300 . 1 . . . . 87 LYS CA . 10104 1 1042 . 1 1 87 87 LYS CB C 13 33.851 0.300 . 1 . . . . 87 LYS CB . 10104 1 1043 . 1 1 87 87 LYS CG C 13 25.489 0.300 . 1 . . . . 87 LYS CG . 10104 1 1044 . 1 1 87 87 LYS CD C 13 29.178 0.300 . 1 . . . . 87 LYS CD . 10104 1 1045 . 1 1 87 87 LYS CE C 13 42.403 0.300 . 1 . . . . 87 LYS CE . 10104 1 1046 . 1 1 87 87 LYS N N 15 114.835 0.300 . 1 . . . . 87 LYS N . 10104 1 1047 . 1 1 88 88 PRO HA H 1 3.956 0.030 . 1 . . . . 88 PRO HA . 10104 1 1048 . 1 1 88 88 PRO HB2 H 1 2.225 0.030 . 2 . . . . 88 PRO HB2 . 10104 1 1049 . 1 1 88 88 PRO HB3 H 1 1.912 0.030 . 2 . . . . 88 PRO HB3 . 10104 1 1050 . 1 1 88 88 PRO HG2 H 1 2.185 0.030 . 2 . . . . 88 PRO HG2 . 10104 1 1051 . 1 1 88 88 PRO HG3 H 1 2.286 0.030 . 2 . . . . 88 PRO HG3 . 10104 1 1052 . 1 1 88 88 PRO HD2 H 1 3.606 0.030 . 2 . . . . 88 PRO HD2 . 10104 1 1053 . 1 1 88 88 PRO HD3 H 1 3.984 0.030 . 2 . . . . 88 PRO HD3 . 10104 1 1054 . 1 1 88 88 PRO C C 13 177.897 0.300 . 1 . . . . 88 PRO C . 10104 1 1055 . 1 1 88 88 PRO CA C 13 65.487 0.300 . 1 . . . . 88 PRO CA . 10104 1 1056 . 1 1 88 88 PRO CB C 13 31.198 0.300 . 1 . . . . 88 PRO CB . 10104 1 1057 . 1 1 88 88 PRO CG C 13 28.042 0.300 . 1 . . . . 88 PRO CG . 10104 1 1058 . 1 1 88 88 PRO CD C 13 50.297 0.300 . 1 . . . . 88 PRO CD . 10104 1 1059 . 1 1 89 89 GLY H H 1 9.058 0.030 . 1 . . . . 89 GLY H . 10104 1 1060 . 1 1 89 89 GLY HA2 H 1 3.648 0.030 . 2 . . . . 89 GLY HA2 . 10104 1 1061 . 1 1 89 89 GLY HA3 H 1 4.367 0.030 . 2 . . . . 89 GLY HA3 . 10104 1 1062 . 1 1 89 89 GLY C C 13 174.007 0.300 . 1 . . . . 89 GLY C . 10104 1 1063 . 1 1 89 89 GLY CA C 13 45.487 0.300 . 1 . . . . 89 GLY CA . 10104 1 1064 . 1 1 89 89 GLY N N 15 112.593 0.300 . 1 . . . . 89 GLY N . 10104 1 1065 . 1 1 90 90 LEU H H 1 8.343 0.030 . 1 . . . . 90 LEU H . 10104 1 1066 . 1 1 90 90 LEU HA H 1 4.688 0.030 . 1 . . . . 90 LEU HA . 10104 1 1067 . 1 1 90 90 LEU HB2 H 1 1.809 0.030 . 2 . . . . 90 LEU HB2 . 10104 1 1068 . 1 1 90 90 LEU HB3 H 1 1.838 0.030 . 2 . . . . 90 LEU HB3 . 10104 1 1069 . 1 1 90 90 LEU HG H 1 1.647 0.030 . 1 . . . . 90 LEU HG . 10104 1 1070 . 1 1 90 90 LEU HD11 H 1 0.938 0.030 . 1 . . . . 90 LEU HD1 . 10104 1 1071 . 1 1 90 90 LEU HD12 H 1 0.938 0.030 . 1 . . . . 90 LEU HD1 . 10104 1 1072 . 1 1 90 90 LEU HD13 H 1 0.938 0.030 . 1 . . . . 90 LEU HD1 . 10104 1 1073 . 1 1 90 90 LEU HD21 H 1 0.998 0.030 . 1 . . . . 90 LEU HD2 . 10104 1 1074 . 1 1 90 90 LEU HD22 H 1 0.998 0.030 . 1 . . . . 90 LEU HD2 . 10104 1 1075 . 1 1 90 90 LEU HD23 H 1 0.998 0.030 . 1 . . . . 90 LEU HD2 . 10104 1 1076 . 1 1 90 90 LEU C C 13 175.584 0.300 . 1 . . . . 90 LEU C . 10104 1 1077 . 1 1 90 90 LEU CA C 13 54.437 0.300 . 1 . . . . 90 LEU CA . 10104 1 1078 . 1 1 90 90 LEU CB C 13 43.587 0.300 . 1 . . . . 90 LEU CB . 10104 1 1079 . 1 1 90 90 LEU CG C 13 27.188 0.300 . 1 . . . . 90 LEU CG . 10104 1 1080 . 1 1 90 90 LEU CD1 C 13 23.067 0.300 . 2 . . . . 90 LEU CD1 . 10104 1 1081 . 1 1 90 90 LEU CD2 C 13 25.367 0.300 . 2 . . . . 90 LEU CD2 . 10104 1 1082 . 1 1 90 90 LEU N N 15 122.273 0.300 . 1 . . . . 90 LEU N . 10104 1 1083 . 1 1 91 91 SER H H 1 8.176 0.030 . 1 . . . . 91 SER H . 10104 1 1084 . 1 1 91 91 SER HA H 1 6.081 0.030 . 1 . . . . 91 SER HA . 10104 1 1085 . 1 1 91 91 SER HB2 H 1 3.718 0.030 . 2 . . . . 91 SER HB2 . 10104 1 1086 . 1 1 91 91 SER HB3 H 1 3.775 0.030 . 2 . . . . 91 SER HB3 . 10104 1 1087 . 1 1 91 91 SER C C 13 174.322 0.300 . 1 . . . . 91 SER C . 10104 1 1088 . 1 1 91 91 SER CA C 13 57.258 0.300 . 1 . . . . 91 SER CA . 10104 1 1089 . 1 1 91 91 SER CB C 13 66.855 0.300 . 1 . . . . 91 SER CB . 10104 1 1090 . 1 1 91 91 SER N N 15 113.643 0.300 . 1 . . . . 91 SER N . 10104 1 1091 . 1 1 92 92 GLY H H 1 9.222 0.030 . 1 . . . . 92 GLY H . 10104 1 1092 . 1 1 92 92 GLY HA2 H 1 4.608 0.030 . 2 . . . . 92 GLY HA2 . 10104 1 1093 . 1 1 92 92 GLY HA3 H 1 3.614 0.030 . 2 . . . . 92 GLY HA3 . 10104 1 1094 . 1 1 92 92 GLY C C 13 172.601 0.300 . 1 . . . . 92 GLY C . 10104 1 1095 . 1 1 92 92 GLY CA C 13 44.323 0.300 . 1 . . . . 92 GLY CA . 10104 1 1096 . 1 1 92 92 GLY N N 15 109.319 0.300 . 1 . . . . 92 GLY N . 10104 1 1097 . 1 1 93 93 SER H H 1 8.777 0.030 . 1 . . . . 93 SER H . 10104 1 1098 . 1 1 93 93 SER HA H 1 5.357 0.030 . 1 . . . . 93 SER HA . 10104 1 1099 . 1 1 93 93 SER HB2 H 1 3.624 0.030 . 1 . . . . 93 SER HB2 . 10104 1 1100 . 1 1 93 93 SER HB3 H 1 3.624 0.030 . 1 . . . . 93 SER HB3 . 10104 1 1101 . 1 1 93 93 SER C C 13 173.013 0.300 . 1 . . . . 93 SER C . 10104 1 1102 . 1 1 93 93 SER CA C 13 57.302 0.300 . 1 . . . . 93 SER CA . 10104 1 1103 . 1 1 93 93 SER CB C 13 64.788 0.300 . 1 . . . . 93 SER CB . 10104 1 1104 . 1 1 93 93 SER N N 15 116.459 0.300 . 1 . . . . 93 SER N . 10104 1 1105 . 1 1 94 94 LEU H H 1 9.293 0.030 . 1 . . . . 94 LEU H . 10104 1 1106 . 1 1 94 94 LEU HA H 1 4.589 0.030 . 1 . . . . 94 LEU HA . 10104 1 1107 . 1 1 94 94 LEU HB2 H 1 1.512 0.030 . 2 . . . . 94 LEU HB2 . 10104 1 1108 . 1 1 94 94 LEU HB3 H 1 1.652 0.030 . 2 . . . . 94 LEU HB3 . 10104 1 1109 . 1 1 94 94 LEU HG H 1 1.595 0.030 . 1 . . . . 94 LEU HG . 10104 1 1110 . 1 1 94 94 LEU HD11 H 1 0.758 0.030 . 1 . . . . 94 LEU HD1 . 10104 1 1111 . 1 1 94 94 LEU HD12 H 1 0.758 0.030 . 1 . . . . 94 LEU HD1 . 10104 1 1112 . 1 1 94 94 LEU HD13 H 1 0.758 0.030 . 1 . . . . 94 LEU HD1 . 10104 1 1113 . 1 1 94 94 LEU HD21 H 1 0.758 0.030 . 1 . . . . 94 LEU HD2 . 10104 1 1114 . 1 1 94 94 LEU HD22 H 1 0.758 0.030 . 1 . . . . 94 LEU HD2 . 10104 1 1115 . 1 1 94 94 LEU HD23 H 1 0.758 0.030 . 1 . . . . 94 LEU HD2 . 10104 1 1116 . 1 1 94 94 LEU C C 13 175.401 0.300 . 1 . . . . 94 LEU C . 10104 1 1117 . 1 1 94 94 LEU CA C 13 53.785 0.300 . 1 . . . . 94 LEU CA . 10104 1 1118 . 1 1 94 94 LEU CB C 13 46.309 0.300 . 1 . . . . 94 LEU CB . 10104 1 1119 . 1 1 94 94 LEU CG C 13 26.049 0.300 . 1 . . . . 94 LEU CG . 10104 1 1120 . 1 1 94 94 LEU CD1 C 13 25.975 0.300 . 1 . . . . 94 LEU CD1 . 10104 1 1121 . 1 1 94 94 LEU CD2 C 13 25.975 0.300 . 1 . . . . 94 LEU CD2 . 10104 1 1122 . 1 1 94 94 LEU N N 15 127.312 0.300 . 1 . . . . 94 LEU N . 10104 1 1123 . 1 1 95 95 SER H H 1 9.117 0.030 . 1 . . . . 95 SER H . 10104 1 1124 . 1 1 95 95 SER HA H 1 4.809 0.030 . 1 . . . . 95 SER HA . 10104 1 1125 . 1 1 95 95 SER HB2 H 1 3.765 0.030 . 2 . . . . 95 SER HB2 . 10104 1 1126 . 1 1 95 95 SER HB3 H 1 3.930 0.030 . 2 . . . . 95 SER HB3 . 10104 1 1127 . 1 1 95 95 SER C C 13 174.007 0.300 . 1 . . . . 95 SER C . 10104 1 1128 . 1 1 95 95 SER CA C 13 57.186 0.300 . 1 . . . . 95 SER CA . 10104 1 1129 . 1 1 95 95 SER CB C 13 64.503 0.300 . 1 . . . . 95 SER CB . 10104 1 1130 . 1 1 95 95 SER N N 15 119.309 0.300 . 1 . . . . 95 SER N . 10104 1 1131 . 1 1 96 96 LEU H H 1 8.493 0.030 . 1 . . . . 96 LEU H . 10104 1 1132 . 1 1 96 96 LEU HA H 1 3.591 0.030 . 1 . . . . 96 LEU HA . 10104 1 1133 . 1 1 96 96 LEU HB2 H 1 1.712 0.030 . 2 . . . . 96 LEU HB2 . 10104 1 1134 . 1 1 96 96 LEU HB3 H 1 1.381 0.030 . 2 . . . . 96 LEU HB3 . 10104 1 1135 . 1 1 96 96 LEU HG H 1 1.853 0.030 . 1 . . . . 96 LEU HG . 10104 1 1136 . 1 1 96 96 LEU HD11 H 1 0.837 0.030 . 1 . . . . 96 LEU HD1 . 10104 1 1137 . 1 1 96 96 LEU HD12 H 1 0.837 0.030 . 1 . . . . 96 LEU HD1 . 10104 1 1138 . 1 1 96 96 LEU HD13 H 1 0.837 0.030 . 1 . . . . 96 LEU HD1 . 10104 1 1139 . 1 1 96 96 LEU HD21 H 1 0.739 0.030 . 1 . . . . 96 LEU HD2 . 10104 1 1140 . 1 1 96 96 LEU HD22 H 1 0.739 0.030 . 1 . . . . 96 LEU HD2 . 10104 1 1141 . 1 1 96 96 LEU HD23 H 1 0.739 0.030 . 1 . . . . 96 LEU HD2 . 10104 1 1142 . 1 1 96 96 LEU C C 13 178.398 0.300 . 1 . . . . 96 LEU C . 10104 1 1143 . 1 1 96 96 LEU CA C 13 57.697 0.300 . 1 . . . . 96 LEU CA . 10104 1 1144 . 1 1 96 96 LEU CB C 13 41.126 0.300 . 1 . . . . 96 LEU CB . 10104 1 1145 . 1 1 96 96 LEU CG C 13 26.272 0.300 . 1 . . . . 96 LEU CG . 10104 1 1146 . 1 1 96 96 LEU CD1 C 13 25.759 0.300 . 2 . . . . 96 LEU CD1 . 10104 1 1147 . 1 1 96 96 LEU CD2 C 13 24.734 0.300 . 2 . . . . 96 LEU CD2 . 10104 1 1148 . 1 1 96 96 LEU N N 15 121.218 0.300 . 1 . . . . 96 LEU N . 10104 1 1149 . 1 1 97 97 GLY H H 1 8.989 0.030 . 1 . . . . 97 GLY H . 10104 1 1150 . 1 1 97 97 GLY HA2 H 1 3.294 0.030 . 2 . . . . 97 GLY HA2 . 10104 1 1151 . 1 1 97 97 GLY HA3 H 1 4.296 0.030 . 2 . . . . 97 GLY HA3 . 10104 1 1152 . 1 1 97 97 GLY C C 13 173.656 0.300 . 1 . . . . 97 GLY C . 10104 1 1153 . 1 1 97 97 GLY CA C 13 45.134 0.300 . 1 . . . . 97 GLY CA . 10104 1 1154 . 1 1 97 97 GLY N N 15 112.215 0.300 . 1 . . . . 97 GLY N . 10104 1 1155 . 1 1 98 98 ASP H H 1 8.313 0.030 . 1 . . . . 98 ASP H . 10104 1 1156 . 1 1 98 98 ASP HA H 1 4.768 0.030 . 1 . . . . 98 ASP HA . 10104 1 1157 . 1 1 98 98 ASP HB2 H 1 3.096 0.030 . 2 . . . . 98 ASP HB2 . 10104 1 1158 . 1 1 98 98 ASP HB3 H 1 2.573 0.030 . 2 . . . . 98 ASP HB3 . 10104 1 1159 . 1 1 98 98 ASP C C 13 174.165 0.300 . 1 . . . . 98 ASP C . 10104 1 1160 . 1 1 98 98 ASP CA C 13 53.997 0.300 . 1 . . . . 98 ASP CA . 10104 1 1161 . 1 1 98 98 ASP CB C 13 42.920 0.300 . 1 . . . . 98 ASP CB . 10104 1 1162 . 1 1 98 98 ASP N N 15 121.433 0.300 . 1 . . . . 98 ASP N . 10104 1 1163 . 1 1 99 99 VAL H H 1 8.065 0.030 . 1 . . . . 99 VAL H . 10104 1 1164 . 1 1 99 99 VAL HA H 1 4.342 0.030 . 1 . . . . 99 VAL HA . 10104 1 1165 . 1 1 99 99 VAL HB H 1 1.651 0.030 . 1 . . . . 99 VAL HB . 10104 1 1166 . 1 1 99 99 VAL HG11 H 1 -0.014 0.030 . 1 . . . . 99 VAL HG1 . 10104 1 1167 . 1 1 99 99 VAL HG12 H 1 -0.014 0.030 . 1 . . . . 99 VAL HG1 . 10104 1 1168 . 1 1 99 99 VAL HG13 H 1 -0.014 0.030 . 1 . . . . 99 VAL HG1 . 10104 1 1169 . 1 1 99 99 VAL HG21 H 1 0.801 0.030 . 1 . . . . 99 VAL HG2 . 10104 1 1170 . 1 1 99 99 VAL HG22 H 1 0.801 0.030 . 1 . . . . 99 VAL HG2 . 10104 1 1171 . 1 1 99 99 VAL HG23 H 1 0.801 0.030 . 1 . . . . 99 VAL HG2 . 10104 1 1172 . 1 1 99 99 VAL C C 13 174.092 0.300 . 1 . . . . 99 VAL C . 10104 1 1173 . 1 1 99 99 VAL CA C 13 61.269 0.300 . 1 . . . . 99 VAL CA . 10104 1 1174 . 1 1 99 99 VAL CB C 13 34.137 0.300 . 1 . . . . 99 VAL CB . 10104 1 1175 . 1 1 99 99 VAL CG1 C 13 21.861 0.300 . 2 . . . . 99 VAL CG1 . 10104 1 1176 . 1 1 99 99 VAL CG2 C 13 21.625 0.300 . 2 . . . . 99 VAL CG2 . 10104 1 1177 . 1 1 99 99 VAL N N 15 118.631 0.300 . 1 . . . . 99 VAL N . 10104 1 1178 . 1 1 100 100 LEU H H 1 9.007 0.030 . 1 . . . . 100 LEU H . 10104 1 1179 . 1 1 100 100 LEU HA H 1 5.047 0.030 . 1 . . . . 100 LEU HA . 10104 1 1180 . 1 1 100 100 LEU HB2 H 1 1.360 0.030 . 2 . . . . 100 LEU HB2 . 10104 1 1181 . 1 1 100 100 LEU HB3 H 1 1.920 0.030 . 2 . . . . 100 LEU HB3 . 10104 1 1182 . 1 1 100 100 LEU HG H 1 1.432 0.030 . 1 . . . . 100 LEU HG . 10104 1 1183 . 1 1 100 100 LEU HD11 H 1 0.895 0.030 . 1 . . . . 100 LEU HD1 . 10104 1 1184 . 1 1 100 100 LEU HD12 H 1 0.895 0.030 . 1 . . . . 100 LEU HD1 . 10104 1 1185 . 1 1 100 100 LEU HD13 H 1 0.895 0.030 . 1 . . . . 100 LEU HD1 . 10104 1 1186 . 1 1 100 100 LEU HD21 H 1 0.800 0.030 . 1 . . . . 100 LEU HD2 . 10104 1 1187 . 1 1 100 100 LEU HD22 H 1 0.800 0.030 . 1 . . . . 100 LEU HD2 . 10104 1 1188 . 1 1 100 100 LEU HD23 H 1 0.800 0.030 . 1 . . . . 100 LEU HD2 . 10104 1 1189 . 1 1 100 100 LEU C C 13 174.238 0.300 . 1 . . . . 100 LEU C . 10104 1 1190 . 1 1 100 100 LEU CA C 13 52.225 0.300 . 1 . . . . 100 LEU CA . 10104 1 1191 . 1 1 100 100 LEU CB C 13 45.073 0.300 . 1 . . . . 100 LEU CB . 10104 1 1192 . 1 1 100 100 LEU CG C 13 27.928 0.300 . 1 . . . . 100 LEU CG . 10104 1 1193 . 1 1 100 100 LEU CD1 C 13 25.005 0.300 . 2 . . . . 100 LEU CD1 . 10104 1 1194 . 1 1 100 100 LEU CD2 C 13 24.874 0.300 . 2 . . . . 100 LEU CD2 . 10104 1 1195 . 1 1 100 100 LEU N N 15 128.586 0.300 . 1 . . . . 100 LEU N . 10104 1 1196 . 1 1 101 101 TYR H H 1 9.409 0.030 . 1 . . . . 101 TYR H . 10104 1 1197 . 1 1 101 101 TYR HA H 1 4.531 0.030 . 1 . . . . 101 TYR HA . 10104 1 1198 . 1 1 101 101 TYR HB2 H 1 2.692 0.030 . 2 . . . . 101 TYR HB2 . 10104 1 1199 . 1 1 101 101 TYR HB3 H 1 2.790 0.030 . 2 . . . . 101 TYR HB3 . 10104 1 1200 . 1 1 101 101 TYR HD1 H 1 6.630 0.030 . 1 . . . . 101 TYR HD1 . 10104 1 1201 . 1 1 101 101 TYR HD2 H 1 6.630 0.030 . 1 . . . . 101 TYR HD2 . 10104 1 1202 . 1 1 101 101 TYR HE1 H 1 6.768 0.030 . 1 . . . . 101 TYR HE1 . 10104 1 1203 . 1 1 101 101 TYR HE2 H 1 6.768 0.030 . 1 . . . . 101 TYR HE2 . 10104 1 1204 . 1 1 101 101 TYR C C 13 176.821 0.300 . 1 . . . . 101 TYR C . 10104 1 1205 . 1 1 101 101 TYR CA C 13 57.232 0.300 . 1 . . . . 101 TYR CA . 10104 1 1206 . 1 1 101 101 TYR CB C 13 36.848 0.300 . 1 . . . . 101 TYR CB . 10104 1 1207 . 1 1 101 101 TYR CD1 C 13 133.200 0.300 . 1 . . . . 101 TYR CD1 . 10104 1 1208 . 1 1 101 101 TYR CD2 C 13 133.200 0.300 . 1 . . . . 101 TYR CD2 . 10104 1 1209 . 1 1 101 101 TYR CE1 C 13 118.316 0.300 . 1 . . . . 101 TYR CE1 . 10104 1 1210 . 1 1 101 101 TYR CE2 C 13 118.316 0.300 . 1 . . . . 101 TYR CE2 . 10104 1 1211 . 1 1 101 101 TYR N N 15 125.255 0.300 . 1 . . . . 101 TYR N . 10104 1 1212 . 1 1 102 102 LEU H H 1 8.255 0.030 . 1 . . . . 102 LEU H . 10104 1 1213 . 1 1 102 102 LEU HA H 1 3.854 0.030 . 1 . . . . 102 LEU HA . 10104 1 1214 . 1 1 102 102 LEU HB2 H 1 2.076 0.030 . 2 . . . . 102 LEU HB2 . 10104 1 1215 . 1 1 102 102 LEU HB3 H 1 1.724 0.030 . 2 . . . . 102 LEU HB3 . 10104 1 1216 . 1 1 102 102 LEU HG H 1 1.942 0.030 . 1 . . . . 102 LEU HG . 10104 1 1217 . 1 1 102 102 LEU HD11 H 1 0.878 0.030 . 1 . . . . 102 LEU HD1 . 10104 1 1218 . 1 1 102 102 LEU HD12 H 1 0.878 0.030 . 1 . . . . 102 LEU HD1 . 10104 1 1219 . 1 1 102 102 LEU HD13 H 1 0.878 0.030 . 1 . . . . 102 LEU HD1 . 10104 1 1220 . 1 1 102 102 LEU HD21 H 1 0.743 0.030 . 1 . . . . 102 LEU HD2 . 10104 1 1221 . 1 1 102 102 LEU HD22 H 1 0.743 0.030 . 1 . . . . 102 LEU HD2 . 10104 1 1222 . 1 1 102 102 LEU HD23 H 1 0.743 0.030 . 1 . . . . 102 LEU HD2 . 10104 1 1223 . 1 1 102 102 LEU C C 13 178.082 0.300 . 1 . . . . 102 LEU C . 10104 1 1224 . 1 1 102 102 LEU CA C 13 59.410 0.300 . 1 . . . . 102 LEU CA . 10104 1 1225 . 1 1 102 102 LEU CB C 13 43.525 0.300 . 1 . . . . 102 LEU CB . 10104 1 1226 . 1 1 102 102 LEU CG C 13 27.195 0.300 . 1 . . . . 102 LEU CG . 10104 1 1227 . 1 1 102 102 LEU CD1 C 13 25.346 0.300 . 2 . . . . 102 LEU CD1 . 10104 1 1228 . 1 1 102 102 LEU CD2 C 13 24.986 0.300 . 2 . . . . 102 LEU CD2 . 10104 1 1229 . 1 1 102 102 LEU N N 15 124.657 0.300 . 1 . . . . 102 LEU N . 10104 1 1230 . 1 1 103 103 VAL H H 1 7.616 0.030 . 1 . . . . 103 VAL H . 10104 1 1231 . 1 1 103 103 VAL HA H 1 4.583 0.030 . 1 . . . . 103 VAL HA . 10104 1 1232 . 1 1 103 103 VAL HB H 1 2.025 0.030 . 1 . . . . 103 VAL HB . 10104 1 1233 . 1 1 103 103 VAL HG11 H 1 0.804 0.030 . 1 . . . . 103 VAL HG1 . 10104 1 1234 . 1 1 103 103 VAL HG12 H 1 0.804 0.030 . 1 . . . . 103 VAL HG1 . 10104 1 1235 . 1 1 103 103 VAL HG13 H 1 0.804 0.030 . 1 . . . . 103 VAL HG1 . 10104 1 1236 . 1 1 103 103 VAL HG21 H 1 0.788 0.030 . 1 . . . . 103 VAL HG2 . 10104 1 1237 . 1 1 103 103 VAL HG22 H 1 0.788 0.030 . 1 . . . . 103 VAL HG2 . 10104 1 1238 . 1 1 103 103 VAL HG23 H 1 0.788 0.030 . 1 . . . . 103 VAL HG2 . 10104 1 1239 . 1 1 103 103 VAL C C 13 172.565 0.300 . 1 . . . . 103 VAL C . 10104 1 1240 . 1 1 103 103 VAL CA C 13 61.672 0.300 . 1 . . . . 103 VAL CA . 10104 1 1241 . 1 1 103 103 VAL CB C 13 33.922 0.300 . 1 . . . . 103 VAL CB . 10104 1 1242 . 1 1 103 103 VAL CG1 C 13 19.700 0.300 . 2 . . . . 103 VAL CG1 . 10104 1 1243 . 1 1 103 103 VAL CG2 C 13 22.492 0.300 . 2 . . . . 103 VAL CG2 . 10104 1 1244 . 1 1 103 103 VAL N N 15 110.474 0.300 . 1 . . . . 103 VAL N . 10104 1 1245 . 1 1 104 104 ASN H H 1 8.515 0.030 . 1 . . . . 104 ASN H . 10104 1 1246 . 1 1 104 104 ASN HA H 1 4.293 0.030 . 1 . . . . 104 ASN HA . 10104 1 1247 . 1 1 104 104 ASN HB2 H 1 3.009 0.030 . 2 . . . . 104 ASN HB2 . 10104 1 1248 . 1 1 104 104 ASN HB3 H 1 2.681 0.030 . 2 . . . . 104 ASN HB3 . 10104 1 1249 . 1 1 104 104 ASN HD21 H 1 7.815 0.030 . 2 . . . . 104 ASN HD21 . 10104 1 1250 . 1 1 104 104 ASN HD22 H 1 6.438 0.030 . 2 . . . . 104 ASN HD22 . 10104 1 1251 . 1 1 104 104 ASN C C 13 174.432 0.300 . 1 . . . . 104 ASN C . 10104 1 1252 . 1 1 104 104 ASN CA C 13 54.358 0.300 . 1 . . . . 104 ASN CA . 10104 1 1253 . 1 1 104 104 ASN CB C 13 37.839 0.300 . 1 . . . . 104 ASN CB . 10104 1 1254 . 1 1 104 104 ASN N N 15 122.223 0.300 . 1 . . . . 104 ASN N . 10104 1 1255 . 1 1 104 104 ASN ND2 N 15 109.609 0.300 . 1 . . . . 104 ASN ND2 . 10104 1 1256 . 1 1 105 105 GLY H H 1 8.838 0.030 . 1 . . . . 105 GLY H . 10104 1 1257 . 1 1 105 105 GLY HA2 H 1 2.975 0.030 . 2 . . . . 105 GLY HA2 . 10104 1 1258 . 1 1 105 105 GLY HA3 H 1 3.678 0.030 . 2 . . . . 105 GLY HA3 . 10104 1 1259 . 1 1 105 105 GLY C C 13 172.418 0.300 . 1 . . . . 105 GLY C . 10104 1 1260 . 1 1 105 105 GLY CA C 13 46.050 0.300 . 1 . . . . 105 GLY CA . 10104 1 1261 . 1 1 105 105 GLY N N 15 103.928 0.300 . 1 . . . . 105 GLY N . 10104 1 1262 . 1 1 106 106 LEU H H 1 8.277 0.030 . 1 . . . . 106 LEU H . 10104 1 1263 . 1 1 106 106 LEU HA H 1 4.360 0.030 . 1 . . . . 106 LEU HA . 10104 1 1264 . 1 1 106 106 LEU HB2 H 1 1.498 0.030 . 2 . . . . 106 LEU HB2 . 10104 1 1265 . 1 1 106 106 LEU HB3 H 1 0.074 0.030 . 2 . . . . 106 LEU HB3 . 10104 1 1266 . 1 1 106 106 LEU HG H 1 1.398 0.030 . 1 . . . . 106 LEU HG . 10104 1 1267 . 1 1 106 106 LEU HD11 H 1 0.729 0.030 . 1 . . . . 106 LEU HD1 . 10104 1 1268 . 1 1 106 106 LEU HD12 H 1 0.729 0.030 . 1 . . . . 106 LEU HD1 . 10104 1 1269 . 1 1 106 106 LEU HD13 H 1 0.729 0.030 . 1 . . . . 106 LEU HD1 . 10104 1 1270 . 1 1 106 106 LEU HD21 H 1 0.686 0.030 . 1 . . . . 106 LEU HD2 . 10104 1 1271 . 1 1 106 106 LEU HD22 H 1 0.686 0.030 . 1 . . . . 106 LEU HD2 . 10104 1 1272 . 1 1 106 106 LEU HD23 H 1 0.686 0.030 . 1 . . . . 106 LEU HD2 . 10104 1 1273 . 1 1 106 106 LEU C C 13 174.844 0.300 . 1 . . . . 106 LEU C . 10104 1 1274 . 1 1 106 106 LEU CA C 13 53.081 0.300 . 1 . . . . 106 LEU CA . 10104 1 1275 . 1 1 106 106 LEU CB C 13 44.814 0.300 . 1 . . . . 106 LEU CB . 10104 1 1276 . 1 1 106 106 LEU CG C 13 25.696 0.300 . 1 . . . . 106 LEU CG . 10104 1 1277 . 1 1 106 106 LEU CD1 C 13 25.785 0.300 . 2 . . . . 106 LEU CD1 . 10104 1 1278 . 1 1 106 106 LEU CD2 C 13 22.183 0.300 . 2 . . . . 106 LEU CD2 . 10104 1 1279 . 1 1 106 106 LEU N N 15 122.315 0.300 . 1 . . . . 106 LEU N . 10104 1 1280 . 1 1 107 107 TYR H H 1 8.116 0.030 . 1 . . . . 107 TYR H . 10104 1 1281 . 1 1 107 107 TYR HA H 1 4.336 0.030 . 1 . . . . 107 TYR HA . 10104 1 1282 . 1 1 107 107 TYR HB2 H 1 3.643 0.030 . 2 . . . . 107 TYR HB2 . 10104 1 1283 . 1 1 107 107 TYR HB3 H 1 2.929 0.030 . 2 . . . . 107 TYR HB3 . 10104 1 1284 . 1 1 107 107 TYR HD1 H 1 7.115 0.030 . 1 . . . . 107 TYR HD1 . 10104 1 1285 . 1 1 107 107 TYR HD2 H 1 7.115 0.030 . 1 . . . . 107 TYR HD2 . 10104 1 1286 . 1 1 107 107 TYR HE1 H 1 6.791 0.030 . 1 . . . . 107 TYR HE1 . 10104 1 1287 . 1 1 107 107 TYR HE2 H 1 6.791 0.030 . 1 . . . . 107 TYR HE2 . 10104 1 1288 . 1 1 107 107 TYR C C 13 171.590 0.300 . 1 . . . . 107 TYR C . 10104 1 1289 . 1 1 107 107 TYR CA C 13 56.786 0.300 . 1 . . . . 107 TYR CA . 10104 1 1290 . 1 1 107 107 TYR CB C 13 35.279 0.300 . 1 . . . . 107 TYR CB . 10104 1 1291 . 1 1 107 107 TYR CD1 C 13 133.623 0.300 . 1 . . . . 107 TYR CD1 . 10104 1 1292 . 1 1 107 107 TYR CD2 C 13 133.623 0.300 . 1 . . . . 107 TYR CD2 . 10104 1 1293 . 1 1 107 107 TYR CE1 C 13 117.931 0.300 . 1 . . . . 107 TYR CE1 . 10104 1 1294 . 1 1 107 107 TYR CE2 C 13 117.931 0.300 . 1 . . . . 107 TYR CE2 . 10104 1 1295 . 1 1 107 107 TYR N N 15 111.126 0.300 . 1 . . . . 107 TYR N . 10104 1 1296 . 1 1 108 108 PRO HA H 1 4.646 0.030 . 1 . . . . 108 PRO HA . 10104 1 1297 . 1 1 108 108 PRO HB2 H 1 1.507 0.030 . 2 . . . . 108 PRO HB2 . 10104 1 1298 . 1 1 108 108 PRO HB3 H 1 1.621 0.030 . 2 . . . . 108 PRO HB3 . 10104 1 1299 . 1 1 108 108 PRO HG2 H 1 2.103 0.030 . 2 . . . . 108 PRO HG2 . 10104 1 1300 . 1 1 108 108 PRO HG3 H 1 2.037 0.030 . 2 . . . . 108 PRO HG3 . 10104 1 1301 . 1 1 108 108 PRO HD2 H 1 3.711 0.030 . 2 . . . . 108 PRO HD2 . 10104 1 1302 . 1 1 108 108 PRO HD3 H 1 3.772 0.030 . 2 . . . . 108 PRO HD3 . 10104 1 1303 . 1 1 108 108 PRO C C 13 178.648 0.300 . 1 . . . . 108 PRO C . 10104 1 1304 . 1 1 108 108 PRO CA C 13 61.886 0.300 . 1 . . . . 108 PRO CA . 10104 1 1305 . 1 1 108 108 PRO CB C 13 33.278 0.300 . 1 . . . . 108 PRO CB . 10104 1 1306 . 1 1 108 108 PRO CG C 13 26.973 0.300 . 1 . . . . 108 PRO CG . 10104 1 1307 . 1 1 108 108 PRO CD C 13 50.329 0.300 . 1 . . . . 108 PRO CD . 10104 1 1308 . 1 1 109 109 LEU H H 1 9.072 0.030 . 1 . . . . 109 LEU H . 10104 1 1309 . 1 1 109 109 LEU HA H 1 4.783 0.030 . 1 . . . . 109 LEU HA . 10104 1 1310 . 1 1 109 109 LEU HB2 H 1 1.654 0.030 . 2 . . . . 109 LEU HB2 . 10104 1 1311 . 1 1 109 109 LEU HB3 H 1 1.172 0.030 . 2 . . . . 109 LEU HB3 . 10104 1 1312 . 1 1 109 109 LEU HG H 1 1.694 0.030 . 1 . . . . 109 LEU HG . 10104 1 1313 . 1 1 109 109 LEU HD11 H 1 0.798 0.030 . 1 . . . . 109 LEU HD1 . 10104 1 1314 . 1 1 109 109 LEU HD12 H 1 0.798 0.030 . 1 . . . . 109 LEU HD1 . 10104 1 1315 . 1 1 109 109 LEU HD13 H 1 0.798 0.030 . 1 . . . . 109 LEU HD1 . 10104 1 1316 . 1 1 109 109 LEU HD21 H 1 0.784 0.030 . 1 . . . . 109 LEU HD2 . 10104 1 1317 . 1 1 109 109 LEU HD22 H 1 0.784 0.030 . 1 . . . . 109 LEU HD2 . 10104 1 1318 . 1 1 109 109 LEU HD23 H 1 0.784 0.030 . 1 . . . . 109 LEU HD2 . 10104 1 1319 . 1 1 109 109 LEU C C 13 175.305 0.300 . 1 . . . . 109 LEU C . 10104 1 1320 . 1 1 109 109 LEU CA C 13 53.468 0.300 . 1 . . . . 109 LEU CA . 10104 1 1321 . 1 1 109 109 LEU CB C 13 46.557 0.300 . 1 . . . . 109 LEU CB . 10104 1 1322 . 1 1 109 109 LEU CG C 13 26.819 0.300 . 1 . . . . 109 LEU CG . 10104 1 1323 . 1 1 109 109 LEU CD1 C 13 25.113 0.300 . 2 . . . . 109 LEU CD1 . 10104 1 1324 . 1 1 109 109 LEU CD2 C 13 27.227 0.300 . 2 . . . . 109 LEU CD2 . 10104 1 1325 . 1 1 109 109 LEU N N 15 123.780 0.300 . 1 . . . . 109 LEU N . 10104 1 1326 . 1 1 110 110 THR H H 1 8.905 0.030 . 1 . . . . 110 THR H . 10104 1 1327 . 1 1 110 110 THR HA H 1 4.809 0.030 . 1 . . . . 110 THR HA . 10104 1 1328 . 1 1 110 110 THR HB H 1 3.648 0.030 . 1 . . . . 110 THR HB . 10104 1 1329 . 1 1 110 110 THR HG21 H 1 0.851 0.030 . 1 . . . . 110 THR HG2 . 10104 1 1330 . 1 1 110 110 THR HG22 H 1 0.851 0.030 . 1 . . . . 110 THR HG2 . 10104 1 1331 . 1 1 110 110 THR HG23 H 1 0.851 0.030 . 1 . . . . 110 THR HG2 . 10104 1 1332 . 1 1 110 110 THR C C 13 174.856 0.300 . 1 . . . . 110 THR C . 10104 1 1333 . 1 1 110 110 THR CA C 13 62.221 0.300 . 1 . . . . 110 THR CA . 10104 1 1334 . 1 1 110 110 THR CB C 13 70.287 0.300 . 1 . . . . 110 THR CB . 10104 1 1335 . 1 1 110 110 THR CG2 C 13 20.328 0.300 . 1 . . . . 110 THR CG2 . 10104 1 1336 . 1 1 110 110 THR N N 15 118.785 0.300 . 1 . . . . 110 THR N . 10104 1 1337 . 1 1 111 111 LEU H H 1 8.251 0.030 . 1 . . . . 111 LEU H . 10104 1 1338 . 1 1 111 111 LEU HA H 1 4.374 0.030 . 1 . . . . 111 LEU HA . 10104 1 1339 . 1 1 111 111 LEU HB2 H 1 0.961 0.030 . 2 . . . . 111 LEU HB2 . 10104 1 1340 . 1 1 111 111 LEU HB3 H 1 2.073 0.030 . 2 . . . . 111 LEU HB3 . 10104 1 1341 . 1 1 111 111 LEU HG H 1 1.428 0.030 . 1 . . . . 111 LEU HG . 10104 1 1342 . 1 1 111 111 LEU HD11 H 1 0.801 0.030 . 1 . . . . 111 LEU HD1 . 10104 1 1343 . 1 1 111 111 LEU HD12 H 1 0.801 0.030 . 1 . . . . 111 LEU HD1 . 10104 1 1344 . 1 1 111 111 LEU HD13 H 1 0.801 0.030 . 1 . . . . 111 LEU HD1 . 10104 1 1345 . 1 1 111 111 LEU HD21 H 1 0.560 0.030 . 1 . . . . 111 LEU HD2 . 10104 1 1346 . 1 1 111 111 LEU HD22 H 1 0.560 0.030 . 1 . . . . 111 LEU HD2 . 10104 1 1347 . 1 1 111 111 LEU HD23 H 1 0.560 0.030 . 1 . . . . 111 LEU HD2 . 10104 1 1348 . 1 1 111 111 LEU C C 13 174.589 0.300 . 1 . . . . 111 LEU C . 10104 1 1349 . 1 1 111 111 LEU CA C 13 56.244 0.300 . 1 . . . . 111 LEU CA . 10104 1 1350 . 1 1 111 111 LEU CB C 13 41.489 0.300 . 1 . . . . 111 LEU CB . 10104 1 1351 . 1 1 111 111 LEU CG C 13 26.911 0.300 . 1 . . . . 111 LEU CG . 10104 1 1352 . 1 1 111 111 LEU CD1 C 13 24.887 0.300 . 2 . . . . 111 LEU CD1 . 10104 1 1353 . 1 1 111 111 LEU CD2 C 13 26.169 0.300 . 2 . . . . 111 LEU CD2 . 10104 1 1354 . 1 1 111 111 LEU N N 15 127.669 0.300 . 1 . . . . 111 LEU N . 10104 1 1355 . 1 1 112 112 ARG H H 1 9.047 0.030 . 1 . . . . 112 ARG H . 10104 1 1356 . 1 1 112 112 ARG HA H 1 4.336 0.030 . 1 . . . . 112 ARG HA . 10104 1 1357 . 1 1 112 112 ARG HB2 H 1 -0.772 0.030 . 2 . . . . 112 ARG HB2 . 10104 1 1358 . 1 1 112 112 ARG HB3 H 1 0.920 0.030 . 2 . . . . 112 ARG HB3 . 10104 1 1359 . 1 1 112 112 ARG HG2 H 1 0.877 0.030 . 2 . . . . 112 ARG HG2 . 10104 1 1360 . 1 1 112 112 ARG HG3 H 1 0.326 0.030 . 2 . . . . 112 ARG HG3 . 10104 1 1361 . 1 1 112 112 ARG HD2 H 1 2.708 0.030 . 2 . . . . 112 ARG HD2 . 10104 1 1362 . 1 1 112 112 ARG HD3 H 1 2.984 0.030 . 2 . . . . 112 ARG HD3 . 10104 1 1363 . 1 1 112 112 ARG HE H 1 6.880 0.030 . 1 . . . . 112 ARG HE . 10104 1 1364 . 1 1 112 112 ARG C C 13 173.183 0.300 . 1 . . . . 112 ARG C . 10104 1 1365 . 1 1 112 112 ARG CA C 13 52.957 0.300 . 1 . . . . 112 ARG CA . 10104 1 1366 . 1 1 112 112 ARG CB C 13 32.918 0.300 . 1 . . . . 112 ARG CB . 10104 1 1367 . 1 1 112 112 ARG CG C 13 25.354 0.300 . 1 . . . . 112 ARG CG . 10104 1 1368 . 1 1 112 112 ARG CD C 13 42.677 0.300 . 1 . . . . 112 ARG CD . 10104 1 1369 . 1 1 112 112 ARG N N 15 128.209 0.300 . 1 . . . . 112 ARG N . 10104 1 1370 . 1 1 112 112 ARG NE N 15 84.435 0.300 . 1 . . . . 112 ARG NE . 10104 1 1371 . 1 1 113 113 TRP H H 1 8.243 0.030 . 1 . . . . 113 TRP H . 10104 1 1372 . 1 1 113 113 TRP HA H 1 5.579 0.030 . 1 . . . . 113 TRP HA . 10104 1 1373 . 1 1 113 113 TRP HB2 H 1 3.142 0.030 . 2 . . . . 113 TRP HB2 . 10104 1 1374 . 1 1 113 113 TRP HB3 H 1 3.078 0.030 . 2 . . . . 113 TRP HB3 . 10104 1 1375 . 1 1 113 113 TRP HD1 H 1 7.034 0.030 . 1 . . . . 113 TRP HD1 . 10104 1 1376 . 1 1 113 113 TRP HE1 H 1 10.263 0.030 . 1 . . . . 113 TRP HE1 . 10104 1 1377 . 1 1 113 113 TRP HE3 H 1 7.417 0.030 . 1 . . . . 113 TRP HE3 . 10104 1 1378 . 1 1 113 113 TRP HZ2 H 1 7.460 0.030 . 1 . . . . 113 TRP HZ2 . 10104 1 1379 . 1 1 113 113 TRP HZ3 H 1 6.980 0.030 . 1 . . . . 113 TRP HZ3 . 10104 1 1380 . 1 1 113 113 TRP HH2 H 1 7.206 0.030 . 1 . . . . 113 TRP HH2 . 10104 1 1381 . 1 1 113 113 TRP C C 13 176.287 0.300 . 1 . . . . 113 TRP C . 10104 1 1382 . 1 1 113 113 TRP CA C 13 55.917 0.300 . 1 . . . . 113 TRP CA . 10104 1 1383 . 1 1 113 113 TRP CB C 13 34.061 0.300 . 1 . . . . 113 TRP CB . 10104 1 1384 . 1 1 113 113 TRP CD1 C 13 126.936 0.300 . 1 . . . . 113 TRP CD1 . 10104 1 1385 . 1 1 113 113 TRP CE3 C 13 120.700 0.300 . 1 . . . . 113 TRP CE3 . 10104 1 1386 . 1 1 113 113 TRP CZ2 C 13 114.124 0.300 . 1 . . . . 113 TRP CZ2 . 10104 1 1387 . 1 1 113 113 TRP CZ3 C 13 121.508 0.300 . 1 . . . . 113 TRP CZ3 . 10104 1 1388 . 1 1 113 113 TRP CH2 C 13 124.893 0.300 . 1 . . . . 113 TRP CH2 . 10104 1 1389 . 1 1 113 113 TRP N N 15 118.674 0.300 . 1 . . . . 113 TRP N . 10104 1 1390 . 1 1 113 113 TRP NE1 N 15 129.546 0.300 . 1 . . . . 113 TRP NE1 . 10104 1 1391 . 1 1 114 114 SER H H 1 8.525 0.030 . 1 . . . . 114 SER H . 10104 1 1392 . 1 1 114 114 SER HA H 1 4.690 0.030 . 1 . . . . 114 SER HA . 10104 1 1393 . 1 1 114 114 SER HB2 H 1 3.658 0.030 . 2 . . . . 114 SER HB2 . 10104 1 1394 . 1 1 114 114 SER HB3 H 1 3.898 0.030 . 2 . . . . 114 SER HB3 . 10104 1 1395 . 1 1 114 114 SER C C 13 172.430 0.300 . 1 . . . . 114 SER C . 10104 1 1396 . 1 1 114 114 SER CA C 13 57.221 0.300 . 1 . . . . 114 SER CA . 10104 1 1397 . 1 1 114 114 SER CB C 13 65.432 0.300 . 1 . . . . 114 SER CB . 10104 1 1398 . 1 1 114 114 SER N N 15 122.574 0.300 . 1 . . . . 114 SER N . 10104 1 1399 . 1 1 115 115 GLY H H 1 7.812 0.030 . 1 . . . . 115 GLY H . 10104 1 1400 . 1 1 115 115 GLY HA2 H 1 3.670 0.030 . 2 . . . . 115 GLY HA2 . 10104 1 1401 . 1 1 115 115 GLY HA3 H 1 3.772 0.030 . 2 . . . . 115 GLY HA3 . 10104 1 1402 . 1 1 115 115 GLY C C 13 171.080 0.300 . 1 . . . . 115 GLY C . 10104 1 1403 . 1 1 115 115 GLY CA C 13 44.891 0.300 . 1 . . . . 115 GLY CA . 10104 1 1404 . 1 1 115 115 GLY N N 15 110.488 0.300 . 1 . . . . 115 GLY N . 10104 1 1405 . 1 1 116 116 PRO HA H 1 4.404 0.030 . 1 . . . . 116 PRO HA . 10104 1 1406 . 1 1 116 116 PRO HB2 H 1 2.260 0.030 . 2 . . . . 116 PRO HB2 . 10104 1 1407 . 1 1 116 116 PRO HB3 H 1 2.029 0.030 . 2 . . . . 116 PRO HB3 . 10104 1 1408 . 1 1 116 116 PRO HG2 H 1 2.092 0.030 . 1 . . . . 116 PRO HG2 . 10104 1 1409 . 1 1 116 116 PRO HG3 H 1 2.092 0.030 . 1 . . . . 116 PRO HG3 . 10104 1 1410 . 1 1 116 116 PRO HD2 H 1 3.480 0.030 . 2 . . . . 116 PRO HD2 . 10104 1 1411 . 1 1 116 116 PRO HD3 H 1 3.675 0.030 . 2 . . . . 116 PRO HD3 . 10104 1 1412 . 1 1 116 116 PRO C C 13 177.267 0.300 . 1 . . . . 116 PRO C . 10104 1 1413 . 1 1 116 116 PRO CA C 13 63.118 0.300 . 1 . . . . 116 PRO CA . 10104 1 1414 . 1 1 116 116 PRO CB C 13 32.364 0.300 . 1 . . . . 116 PRO CB . 10104 1 1415 . 1 1 116 116 PRO CG C 13 27.339 0.300 . 1 . . . . 116 PRO CG . 10104 1 1416 . 1 1 116 116 PRO CD C 13 49.731 0.300 . 1 . . . . 116 PRO CD . 10104 1 1417 . 1 1 117 117 SER H H 1 8.543 0.030 . 1 . . . . 117 SER H . 10104 1 1418 . 1 1 117 117 SER HA H 1 4.519 0.030 . 1 . . . . 117 SER HA . 10104 1 1419 . 1 1 117 117 SER HB2 H 1 3.939 0.030 . 1 . . . . 117 SER HB2 . 10104 1 1420 . 1 1 117 117 SER HB3 H 1 3.939 0.030 . 1 . . . . 117 SER HB3 . 10104 1 1421 . 1 1 117 117 SER C C 13 174.625 0.300 . 1 . . . . 117 SER C . 10104 1 1422 . 1 1 117 117 SER CA C 13 58.472 0.300 . 1 . . . . 117 SER CA . 10104 1 1423 . 1 1 117 117 SER CB C 13 63.862 0.300 . 1 . . . . 117 SER CB . 10104 1 1424 . 1 1 117 117 SER N N 15 116.449 0.300 . 1 . . . . 117 SER N . 10104 1 1425 . 1 1 118 118 SER H H 1 8.306 0.030 . 1 . . . . 118 SER H . 10104 1 1426 . 1 1 118 118 SER HA H 1 4.519 0.030 . 1 . . . . 118 SER HA . 10104 1 1427 . 1 1 118 118 SER HB2 H 1 3.900 0.030 . 1 . . . . 118 SER HB2 . 10104 1 1428 . 1 1 118 118 SER HB3 H 1 3.900 0.030 . 1 . . . . 118 SER HB3 . 10104 1 1429 . 1 1 118 118 SER C C 13 173.910 0.300 . 1 . . . . 118 SER C . 10104 1 1430 . 1 1 118 118 SER CA C 13 58.455 0.300 . 1 . . . . 118 SER CA . 10104 1 1431 . 1 1 118 118 SER CB C 13 64.067 0.300 . 1 . . . . 118 SER CB . 10104 1 1432 . 1 1 118 118 SER N N 15 117.552 0.300 . 1 . . . . 118 SER N . 10104 1 1433 . 1 1 119 119 GLY H H 1 8.053 0.030 . 1 . . . . 119 GLY H . 10104 1 1434 . 1 1 119 119 GLY HA2 H 1 3.816 0.030 . 2 . . . . 119 GLY HA2 . 10104 1 1435 . 1 1 119 119 GLY HA3 H 1 3.758 0.030 . 2 . . . . 119 GLY HA3 . 10104 1 1436 . 1 1 119 119 GLY C C 13 178.948 0.300 . 1 . . . . 119 GLY C . 10104 1 1437 . 1 1 119 119 GLY CA C 13 46.232 0.300 . 1 . . . . 119 GLY CA . 10104 1 1438 . 1 1 119 119 GLY N N 15 116.817 0.300 . 1 . . . . 119 GLY N . 10104 1 stop_ save_