data_11089 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11089 _Entry.Title ; Solution structure of the PH domain of Pleckstrin homology domain-containing family A member 6 from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-18 _Entry.Accession_date 2010-01-19 _Entry.Last_release_date 2011-01-19 _Entry.Original_release_date 2011-01-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 11089 2 M. Sato . . . 11089 3 S. Koshiba . . . 11089 4 S. Watanabe . . . 11089 5 T. Harada . . . 11089 6 T. Kigawa . . . 11089 7 S. Yokoyama . . . 11089 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11089 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11089 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 519 11089 '15N chemical shifts' 116 11089 '1H chemical shifts' 806 11089 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-01-19 2010-01-18 original author . 11089 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YRY 'BMRB Entry Tracking System' 11089 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11089 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the PH domain of Pleckstrin homology domain-containing family A member 6 from human ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 11089 1 2 M. Sato . . . 11089 1 3 S. Koshiba . . . 11089 1 4 S. Watanabe . . . 11089 1 5 T. Harada . . . 11089 1 6 T. Kigawa . . . 11089 1 7 S. Yokoyama . . . 11089 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11089 _Assembly.ID 1 _Assembly.Name 'Pleckstrin homology domain-containing family A member 6' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PH domain' 1 $entity_1 A . yes native no no . . . 11089 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 2yry . . . . . . 11089 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11089 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGGKRSHSMKRNPNA PVTKAGWLFKQASSGVKQWN KRWFVLVDRCLFYYKDEKEE SILGSIPLLSFRVAAVQPSD NISRKHTFKAEHAGVRTYFF SAESPEEQEAWIQAMGEAAR VQ ; _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 122 _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 2YRY . "Solution Structure Of The Ph Domain Of Pleckstrin Homology Domain-Containing Family A Member 6 From Human" . . . . . 100.00 122 100.00 100.00 9.28e-84 . . . . 11089 1 2 no DBJ BAA76813 . "KIAA0969 protein [Homo sapiens]" . . . . . 94.26 1048 100.00 100.00 7.78e-74 . . . . 11089 1 3 no DBJ BAG09923 . "pleckstrin homology domain-containing protein, family A member 6 [synthetic construct]" . . . . . 94.26 1048 100.00 100.00 7.78e-74 . . . . 11089 1 4 no GB AAH54547 . "Pleckstrin homology domain containing, family A member 6 [Mus musculus]" . . . . . 94.26 1173 97.39 100.00 3.97e-72 . . . . 11089 1 5 no GB AAI52476 . "Pleckstrin homology domain containing, family A member 6 [Homo sapiens]" . . . . . 94.26 1048 100.00 100.00 7.78e-74 . . . . 11089 1 6 no GB AAI67845 . "Pleckstrin homology domain containing, family A member 6 [synthetic construct]" . . . . . 94.26 1048 100.00 100.00 7.48e-74 . . . . 11089 1 7 no GB EAW91509 . "pleckstrin homology domain containing, family A member 6, isoform CRA_a [Homo sapiens]" . . . . . 94.26 1152 100.00 100.00 4.73e-73 . . . . 11089 1 8 no GB EAW91510 . "pleckstrin homology domain containing, family A member 6, isoform CRA_b [Homo sapiens]" . . . . . 94.26 1048 100.00 100.00 8.09e-74 . . . . 11089 1 9 no REF NP_055750 . "pleckstrin homology domain-containing family A member 6 [Homo sapiens]" . . . . . 94.26 1048 100.00 100.00 7.48e-74 . . . . 11089 1 10 no REF NP_891846 . "pleckstrin homology domain-containing family A member 6 isoform 1 [Mus musculus]" . . . . . 94.26 1173 97.39 100.00 3.97e-72 . . . . 11089 1 11 no REF XP_002808300 . "PREDICTED: LOW QUALITY PROTEIN: pleckstrin homology domain-containing family A member 6-like [Macaca mulatta]" . . . . . 94.26 1048 100.00 100.00 8.50e-74 . . . . 11089 1 12 no REF XP_002918242 . "PREDICTED: pleckstrin homology domain-containing family A member 6 [Ailuropoda melanoleuca]" . . . . . 94.26 1141 99.13 99.13 1.22e-71 . . . . 11089 1 13 no REF XP_003474853 . "PREDICTED: pleckstrin homology domain-containing family A member 6 isoform X3 [Cavia porcellus]" . . . . . 94.26 1278 98.26 100.00 2.29e-71 . . . . 11089 1 14 no SP Q7TQG1 . "RecName: Full=Pleckstrin homology domain-containing family A member 6; Short=PH domain-containing family A member 6; AltName: F" . . . . . 94.26 1173 97.39 100.00 3.97e-72 . . . . 11089 1 15 no SP Q9Y2H5 . "RecName: Full=Pleckstrin homology domain-containing family A member 6; Short=PH domain-containing family A member 6; AltName: F" . . . . . 94.26 1048 100.00 100.00 7.48e-74 . . . . 11089 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 . 11089 1 2 . SER . 11089 1 3 . SER . 11089 1 4 . GLY . 11089 1 5 . SER . 11089 1 6 . SER . 11089 1 7 . GLY . 11089 1 8 . GLY . 11089 1 9 . LYS . 11089 1 10 . ARG . 11089 1 11 . SER . 11089 1 12 . HIS . 11089 1 13 . SER . 11089 1 14 . MET . 11089 1 15 . LYS . 11089 1 16 . ARG . 11089 1 17 . ASN . 11089 1 18 . PRO . 11089 1 19 . ASN . 11089 1 20 . ALA . 11089 1 21 . PRO . 11089 1 22 . VAL . 11089 1 23 . THR . 11089 1 24 . LYS . 11089 1 25 . ALA . 11089 1 26 . GLY . 11089 1 27 . TRP . 11089 1 28 . LEU . 11089 1 29 . PHE . 11089 1 30 . LYS . 11089 1 31 . GLN . 11089 1 32 . ALA . 11089 1 33 . SER . 11089 1 34 . SER . 11089 1 35 . GLY . 11089 1 36 . VAL . 11089 1 37 . LYS . 11089 1 38 . GLN . 11089 1 39 . TRP . 11089 1 40 . ASN . 11089 1 41 . LYS . 11089 1 42 . ARG . 11089 1 43 . TRP . 11089 1 44 . PHE . 11089 1 45 . VAL . 11089 1 46 . LEU . 11089 1 47 . VAL . 11089 1 48 . ASP . 11089 1 49 . ARG . 11089 1 50 . CYS . 11089 1 51 . LEU . 11089 1 52 . PHE . 11089 1 53 . TYR . 11089 1 54 . TYR . 11089 1 55 . LYS . 11089 1 56 . ASP . 11089 1 57 . GLU . 11089 1 58 . LYS . 11089 1 59 . GLU . 11089 1 60 . GLU . 11089 1 61 . SER . 11089 1 62 . ILE . 11089 1 63 . LEU . 11089 1 64 . GLY . 11089 1 65 . SER . 11089 1 66 . ILE . 11089 1 67 . PRO . 11089 1 68 . LEU . 11089 1 69 . LEU . 11089 1 70 . SER . 11089 1 71 . PHE . 11089 1 72 . ARG . 11089 1 73 . VAL . 11089 1 74 . ALA . 11089 1 75 . ALA . 11089 1 76 . VAL . 11089 1 77 . GLN . 11089 1 78 . PRO . 11089 1 79 . SER . 11089 1 80 . ASP . 11089 1 81 . ASN . 11089 1 82 . ILE . 11089 1 83 . SER . 11089 1 84 . ARG . 11089 1 85 . LYS . 11089 1 86 . HIS . 11089 1 87 . THR . 11089 1 88 . PHE . 11089 1 89 . LYS . 11089 1 90 . ALA . 11089 1 91 . GLU . 11089 1 92 . HIS . 11089 1 93 . ALA . 11089 1 94 . GLY . 11089 1 95 . VAL . 11089 1 96 . ARG . 11089 1 97 . THR . 11089 1 98 . TYR . 11089 1 99 . PHE . 11089 1 100 . PHE . 11089 1 101 . SER . 11089 1 102 . ALA . 11089 1 103 . GLU . 11089 1 104 . SER . 11089 1 105 . PRO . 11089 1 106 . GLU . 11089 1 107 . GLU . 11089 1 108 . GLN . 11089 1 109 . GLU . 11089 1 110 . ALA . 11089 1 111 . TRP . 11089 1 112 . ILE . 11089 1 113 . GLN . 11089 1 114 . ALA . 11089 1 115 . MET . 11089 1 116 . GLY . 11089 1 117 . GLU . 11089 1 118 . ALA . 11089 1 119 . ALA . 11089 1 120 . ARG . 11089 1 121 . VAL . 11089 1 122 . GLN . 11089 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 11089 1 . SER 2 2 11089 1 . SER 3 3 11089 1 . GLY 4 4 11089 1 . SER 5 5 11089 1 . SER 6 6 11089 1 . GLY 7 7 11089 1 . GLY 8 8 11089 1 . LYS 9 9 11089 1 . ARG 10 10 11089 1 . SER 11 11 11089 1 . HIS 12 12 11089 1 . SER 13 13 11089 1 . MET 14 14 11089 1 . LYS 15 15 11089 1 . ARG 16 16 11089 1 . ASN 17 17 11089 1 . PRO 18 18 11089 1 . ASN 19 19 11089 1 . ALA 20 20 11089 1 . PRO 21 21 11089 1 . VAL 22 22 11089 1 . THR 23 23 11089 1 . LYS 24 24 11089 1 . ALA 25 25 11089 1 . GLY 26 26 11089 1 . TRP 27 27 11089 1 . LEU 28 28 11089 1 . PHE 29 29 11089 1 . LYS 30 30 11089 1 . GLN 31 31 11089 1 . ALA 32 32 11089 1 . SER 33 33 11089 1 . SER 34 34 11089 1 . GLY 35 35 11089 1 . VAL 36 36 11089 1 . LYS 37 37 11089 1 . GLN 38 38 11089 1 . TRP 39 39 11089 1 . ASN 40 40 11089 1 . LYS 41 41 11089 1 . ARG 42 42 11089 1 . TRP 43 43 11089 1 . PHE 44 44 11089 1 . VAL 45 45 11089 1 . LEU 46 46 11089 1 . VAL 47 47 11089 1 . ASP 48 48 11089 1 . ARG 49 49 11089 1 . CYS 50 50 11089 1 . LEU 51 51 11089 1 . PHE 52 52 11089 1 . TYR 53 53 11089 1 . TYR 54 54 11089 1 . LYS 55 55 11089 1 . ASP 56 56 11089 1 . GLU 57 57 11089 1 . LYS 58 58 11089 1 . GLU 59 59 11089 1 . GLU 60 60 11089 1 . SER 61 61 11089 1 . ILE 62 62 11089 1 . LEU 63 63 11089 1 . GLY 64 64 11089 1 . SER 65 65 11089 1 . ILE 66 66 11089 1 . PRO 67 67 11089 1 . LEU 68 68 11089 1 . LEU 69 69 11089 1 . SER 70 70 11089 1 . PHE 71 71 11089 1 . ARG 72 72 11089 1 . VAL 73 73 11089 1 . ALA 74 74 11089 1 . ALA 75 75 11089 1 . VAL 76 76 11089 1 . GLN 77 77 11089 1 . PRO 78 78 11089 1 . SER 79 79 11089 1 . ASP 80 80 11089 1 . ASN 81 81 11089 1 . ILE 82 82 11089 1 . SER 83 83 11089 1 . ARG 84 84 11089 1 . LYS 85 85 11089 1 . HIS 86 86 11089 1 . THR 87 87 11089 1 . PHE 88 88 11089 1 . LYS 89 89 11089 1 . ALA 90 90 11089 1 . GLU 91 91 11089 1 . HIS 92 92 11089 1 . ALA 93 93 11089 1 . GLY 94 94 11089 1 . VAL 95 95 11089 1 . ARG 96 96 11089 1 . THR 97 97 11089 1 . TYR 98 98 11089 1 . PHE 99 99 11089 1 . PHE 100 100 11089 1 . SER 101 101 11089 1 . ALA 102 102 11089 1 . GLU 103 103 11089 1 . SER 104 104 11089 1 . PRO 105 105 11089 1 . GLU 106 106 11089 1 . GLU 107 107 11089 1 . GLN 108 108 11089 1 . GLU 109 109 11089 1 . ALA 110 110 11089 1 . TRP 111 111 11089 1 . ILE 112 112 11089 1 . GLN 113 113 11089 1 . ALA 114 114 11089 1 . MET 115 115 11089 1 . GLY 116 116 11089 1 . GLU 117 117 11089 1 . ALA 118 118 11089 1 . ALA 119 119 11089 1 . ARG 120 120 11089 1 . VAL 121 121 11089 1 . GLN 122 122 11089 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 11089 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11089 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 11089 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P060515-01 . . . . . . 11089 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11089 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.21mM PH domain [U-15N,13C], 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.21 . . mM . . . . 11089 1 2 TRIS [U-2H] . . . . . buffer 20 . . mM . . . . 11089 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11089 1 4 DTT [U-2H] . . . . . salt 1 . . mM . . . . 11089 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11089 1 6 H2O . . . . . . solvent 90 . . % . . . . 11089 1 7 D2O . . . . . . solvent 10 . . % . . . . 11089 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 11089 _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 11089 1 pH 7.0 0.05 pH 11089 1 pressure 1 0.001 atm 11089 1 temperature 296 0.1 K 11089 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11089 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11089 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11089 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11089 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11089 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11089 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11089 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11089 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11089 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11089 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11089 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11089 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11089 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11089 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11089 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 11089 _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 11089 _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 . . . 11089 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 11089 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11089 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11089 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 11089 _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 . . . . . . . . . 11089 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11089 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11089 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 11089 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11089 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11089 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11089 1 2 $NMRPipe . . 11089 1 3 $NMRVIEW . . 11089 1 4 $Kujira . . 11089 1 5 $CYANA . . 11089 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.991 0.030 . 1 . . . . 7 GLY HA2 . 11089 1 2 . 1 1 7 7 GLY HA3 H 1 3.991 0.030 . 1 . . . . 7 GLY HA3 . 11089 1 3 . 1 1 7 7 GLY C C 13 174.763 0.300 . 1 . . . . 7 GLY C . 11089 1 4 . 1 1 7 7 GLY CA C 13 45.491 0.300 . 1 . . . . 7 GLY CA . 11089 1 5 . 1 1 8 8 GLY H H 1 8.276 0.030 . 1 . . . . 8 GLY H . 11089 1 6 . 1 1 8 8 GLY HA2 H 1 3.966 0.030 . 1 . . . . 8 GLY HA2 . 11089 1 7 . 1 1 8 8 GLY HA3 H 1 3.966 0.030 . 1 . . . . 8 GLY HA3 . 11089 1 8 . 1 1 8 8 GLY C C 13 174.228 0.300 . 1 . . . . 8 GLY C . 11089 1 9 . 1 1 8 8 GLY CA C 13 45.174 0.300 . 1 . . . . 8 GLY CA . 11089 1 10 . 1 1 8 8 GLY N N 15 108.736 0.300 . 1 . . . . 8 GLY N . 11089 1 11 . 1 1 9 9 LYS H H 1 8.220 0.030 . 1 . . . . 9 LYS H . 11089 1 12 . 1 1 9 9 LYS HA H 1 4.314 0.030 . 1 . . . . 9 LYS HA . 11089 1 13 . 1 1 9 9 LYS HB2 H 1 1.828 0.030 . 2 . . . . 9 LYS HB2 . 11089 1 14 . 1 1 9 9 LYS HB3 H 1 1.746 0.030 . 2 . . . . 9 LYS HB3 . 11089 1 15 . 1 1 9 9 LYS HG2 H 1 1.429 0.030 . 2 . . . . 9 LYS HG2 . 11089 1 16 . 1 1 9 9 LYS C C 13 176.817 0.300 . 1 . . . . 9 LYS C . 11089 1 17 . 1 1 9 9 LYS CA C 13 56.398 0.300 . 1 . . . . 9 LYS CA . 11089 1 18 . 1 1 9 9 LYS CB C 13 33.003 0.300 . 1 . . . . 9 LYS CB . 11089 1 19 . 1 1 9 9 LYS CD C 13 29.221 0.300 . 1 . . . . 9 LYS CD . 11089 1 20 . 1 1 9 9 LYS CE C 13 42.049 0.300 . 1 . . . . 9 LYS CE . 11089 1 21 . 1 1 9 9 LYS CG C 13 24.780 0.300 . 1 . . . . 9 LYS CG . 11089 1 22 . 1 1 9 9 LYS N N 15 120.969 0.300 . 1 . . . . 9 LYS N . 11089 1 23 . 1 1 10 10 ARG H H 1 8.436 0.030 . 1 . . . . 10 ARG H . 11089 1 24 . 1 1 10 10 ARG HA H 1 4.369 0.030 . 1 . . . . 10 ARG HA . 11089 1 25 . 1 1 10 10 ARG HB2 H 1 1.835 0.030 . 2 . . . . 10 ARG HB2 . 11089 1 26 . 1 1 10 10 ARG HB3 H 1 1.758 0.030 . 2 . . . . 10 ARG HB3 . 11089 1 27 . 1 1 10 10 ARG HD2 H 1 3.198 0.030 . 1 . . . . 10 ARG HD2 . 11089 1 28 . 1 1 10 10 ARG HD3 H 1 3.198 0.030 . 1 . . . . 10 ARG HD3 . 11089 1 29 . 1 1 10 10 ARG HG2 H 1 1.621 0.030 . 1 . . . . 10 ARG HG2 . 11089 1 30 . 1 1 10 10 ARG HG3 H 1 1.621 0.030 . 1 . . . . 10 ARG HG3 . 11089 1 31 . 1 1 10 10 ARG C C 13 176.358 0.300 . 1 . . . . 10 ARG C . 11089 1 32 . 1 1 10 10 ARG CA C 13 56.032 0.300 . 1 . . . . 10 ARG CA . 11089 1 33 . 1 1 10 10 ARG CB C 13 30.865 0.300 . 1 . . . . 10 ARG CB . 11089 1 34 . 1 1 10 10 ARG CD C 13 43.339 0.300 . 1 . . . . 10 ARG CD . 11089 1 35 . 1 1 10 10 ARG CG C 13 27.088 0.300 . 1 . . . . 10 ARG CG . 11089 1 36 . 1 1 10 10 ARG N N 15 122.487 0.300 . 1 . . . . 10 ARG N . 11089 1 37 . 1 1 12 12 HIS HA H 1 4.669 0.030 . 1 . . . . 12 HIS HA . 11089 1 38 . 1 1 12 12 HIS HB2 H 1 3.144 0.030 . 2 . . . . 12 HIS HB2 . 11089 1 39 . 1 1 12 12 HIS HB3 H 1 3.070 0.030 . 2 . . . . 12 HIS HB3 . 11089 1 40 . 1 1 12 12 HIS HD2 H 1 7.017 0.030 . 1 . . . . 12 HIS HD2 . 11089 1 41 . 1 1 12 12 HIS HE1 H 1 7.782 0.030 . 1 . . . . 12 HIS HE1 . 11089 1 42 . 1 1 12 12 HIS CA C 13 56.382 0.300 . 1 . . . . 12 HIS CA . 11089 1 43 . 1 1 12 12 HIS CB C 13 31.268 0.300 . 1 . . . . 12 HIS CB . 11089 1 44 . 1 1 12 12 HIS CE1 C 13 138.514 0.300 . 1 . . . . 12 HIS CE1 . 11089 1 45 . 1 1 13 13 SER HA H 1 4.414 0.030 . 1 . . . . 13 SER HA . 11089 1 46 . 1 1 13 13 SER HB2 H 1 3.809 0.030 . 1 . . . . 13 SER HB2 . 11089 1 47 . 1 1 13 13 SER HB3 H 1 3.809 0.030 . 1 . . . . 13 SER HB3 . 11089 1 48 . 1 1 13 13 SER C C 13 174.219 0.300 . 1 . . . . 13 SER C . 11089 1 49 . 1 1 13 13 SER CA C 13 58.263 0.300 . 1 . . . . 13 SER CA . 11089 1 50 . 1 1 13 13 SER CB C 13 63.841 0.300 . 1 . . . . 13 SER CB . 11089 1 51 . 1 1 14 14 MET H H 1 8.381 0.030 . 1 . . . . 14 MET H . 11089 1 52 . 1 1 14 14 MET HA H 1 4.515 0.030 . 1 . . . . 14 MET HA . 11089 1 53 . 1 1 14 14 MET HB2 H 1 1.975 0.030 . 2 . . . . 14 MET HB2 . 11089 1 54 . 1 1 14 14 MET HB3 H 1 2.105 0.030 . 2 . . . . 14 MET HB3 . 11089 1 55 . 1 1 14 14 MET HE1 H 1 2.092 0.030 . 1 . . . . 14 MET HE . 11089 1 56 . 1 1 14 14 MET HE2 H 1 2.092 0.030 . 1 . . . . 14 MET HE . 11089 1 57 . 1 1 14 14 MET HE3 H 1 2.092 0.030 . 1 . . . . 14 MET HE . 11089 1 58 . 1 1 14 14 MET HG2 H 1 2.575 0.030 . 1 . . . . 14 MET HG2 . 11089 1 59 . 1 1 14 14 MET HG3 H 1 2.575 0.030 . 1 . . . . 14 MET HG3 . 11089 1 60 . 1 1 14 14 MET C C 13 175.436 0.300 . 1 . . . . 14 MET C . 11089 1 61 . 1 1 14 14 MET CA C 13 55.413 0.300 . 1 . . . . 14 MET CA . 11089 1 62 . 1 1 14 14 MET CB C 13 33.086 0.300 . 1 . . . . 14 MET CB . 11089 1 63 . 1 1 14 14 MET CE C 13 17.168 0.300 . 1 . . . . 14 MET CE . 11089 1 64 . 1 1 14 14 MET CG C 13 32.238 0.300 . 1 . . . . 14 MET CG . 11089 1 65 . 1 1 14 14 MET N N 15 122.487 0.300 . 1 . . . . 14 MET N . 11089 1 66 . 1 1 15 15 LYS H H 1 8.301 0.030 . 1 . . . . 15 LYS H . 11089 1 67 . 1 1 15 15 LYS HA H 1 4.380 0.030 . 1 . . . . 15 LYS HA . 11089 1 68 . 1 1 15 15 LYS HB2 H 1 1.748 0.030 . 2 . . . . 15 LYS HB2 . 11089 1 69 . 1 1 15 15 LYS HB3 H 1 1.670 0.030 . 2 . . . . 15 LYS HB3 . 11089 1 70 . 1 1 15 15 LYS HD2 H 1 1.654 0.030 . 1 . . . . 15 LYS HD2 . 11089 1 71 . 1 1 15 15 LYS HD3 H 1 1.654 0.030 . 1 . . . . 15 LYS HD3 . 11089 1 72 . 1 1 15 15 LYS HE2 H 1 2.975 0.030 . 1 . . . . 15 LYS HE2 . 11089 1 73 . 1 1 15 15 LYS HE3 H 1 2.975 0.030 . 1 . . . . 15 LYS HE3 . 11089 1 74 . 1 1 15 15 LYS HG2 H 1 1.417 0.030 . 2 . . . . 15 LYS HG2 . 11089 1 75 . 1 1 15 15 LYS HG3 H 1 1.348 0.030 . 2 . . . . 15 LYS HG3 . 11089 1 76 . 1 1 15 15 LYS C C 13 175.431 0.300 . 1 . . . . 15 LYS C . 11089 1 77 . 1 1 15 15 LYS CA C 13 55.378 0.300 . 1 . . . . 15 LYS CA . 11089 1 78 . 1 1 15 15 LYS CB C 13 34.072 0.300 . 1 . . . . 15 LYS CB . 11089 1 79 . 1 1 15 15 LYS CD C 13 29.138 0.300 . 1 . . . . 15 LYS CD . 11089 1 80 . 1 1 15 15 LYS CE C 13 42.049 0.300 . 1 . . . . 15 LYS CE . 11089 1 81 . 1 1 15 15 LYS CG C 13 24.780 0.300 . 1 . . . . 15 LYS CG . 11089 1 82 . 1 1 15 15 LYS N N 15 122.059 0.300 . 1 . . . . 15 LYS N . 11089 1 83 . 1 1 16 16 ARG H H 1 8.077 0.030 . 1 . . . . 16 ARG H . 11089 1 84 . 1 1 16 16 ARG HA H 1 3.990 0.030 . 1 . . . . 16 ARG HA . 11089 1 85 . 1 1 16 16 ARG HB2 H 1 1.214 0.030 . 2 . . . . 16 ARG HB2 . 11089 1 86 . 1 1 16 16 ARG HB3 H 1 0.158 0.030 . 2 . . . . 16 ARG HB3 . 11089 1 87 . 1 1 16 16 ARG HD2 H 1 2.300 0.030 . 2 . . . . 16 ARG HD2 . 11089 1 88 . 1 1 16 16 ARG HD3 H 1 2.575 0.030 . 2 . . . . 16 ARG HD3 . 11089 1 89 . 1 1 16 16 ARG HE H 1 7.029 0.030 . 1 . . . . 16 ARG HE . 11089 1 90 . 1 1 16 16 ARG HG2 H 1 0.983 0.030 . 2 . . . . 16 ARG HG2 . 11089 1 91 . 1 1 16 16 ARG HG3 H 1 0.823 0.030 . 2 . . . . 16 ARG HG3 . 11089 1 92 . 1 1 16 16 ARG C C 13 175.493 0.300 . 1 . . . . 16 ARG C . 11089 1 93 . 1 1 16 16 ARG CA C 13 55.026 0.300 . 1 . . . . 16 ARG CA . 11089 1 94 . 1 1 16 16 ARG CB C 13 30.592 0.300 . 1 . . . . 16 ARG CB . 11089 1 95 . 1 1 16 16 ARG CD C 13 43.720 0.300 . 1 . . . . 16 ARG CD . 11089 1 96 . 1 1 16 16 ARG CG C 13 26.655 0.300 . 1 . . . . 16 ARG CG . 11089 1 97 . 1 1 16 16 ARG N N 15 123.841 0.300 . 1 . . . . 16 ARG N . 11089 1 98 . 1 1 16 16 ARG NE N 15 83.388 0.300 . 1 . . . . 16 ARG NE . 11089 1 99 . 1 1 17 17 ASN H H 1 9.113 0.030 . 1 . . . . 17 ASN H . 11089 1 100 . 1 1 17 17 ASN HA H 1 4.814 0.030 . 1 . . . . 17 ASN HA . 11089 1 101 . 1 1 17 17 ASN HB2 H 1 2.986 0.030 . 2 . . . . 17 ASN HB2 . 11089 1 102 . 1 1 17 17 ASN HB3 H 1 2.941 0.030 . 2 . . . . 17 ASN HB3 . 11089 1 103 . 1 1 17 17 ASN HD21 H 1 7.170 0.030 . 2 . . . . 17 ASN HD21 . 11089 1 104 . 1 1 17 17 ASN HD22 H 1 7.988 0.030 . 2 . . . . 17 ASN HD22 . 11089 1 105 . 1 1 17 17 ASN C C 13 175.486 0.300 . 1 . . . . 17 ASN C . 11089 1 106 . 1 1 17 17 ASN CA C 13 50.558 0.300 . 1 . . . . 17 ASN CA . 11089 1 107 . 1 1 17 17 ASN CB C 13 38.513 0.300 . 1 . . . . 17 ASN CB . 11089 1 108 . 1 1 17 17 ASN N N 15 128.955 0.300 . 1 . . . . 17 ASN N . 11089 1 109 . 1 1 17 17 ASN ND2 N 15 112.963 0.300 . 1 . . . . 17 ASN ND2 . 11089 1 110 . 1 1 18 18 PRO HA H 1 4.249 0.030 . 1 . . . . 18 PRO HA . 11089 1 111 . 1 1 18 18 PRO HB2 H 1 1.940 0.030 . 2 . . . . 18 PRO HB2 . 11089 1 112 . 1 1 18 18 PRO HB3 H 1 2.272 0.030 . 2 . . . . 18 PRO HB3 . 11089 1 113 . 1 1 18 18 PRO HD2 H 1 4.055 0.030 . 2 . . . . 18 PRO HD2 . 11089 1 114 . 1 1 18 18 PRO HD3 H 1 3.938 0.030 . 2 . . . . 18 PRO HD3 . 11089 1 115 . 1 1 18 18 PRO HG2 H 1 2.030 0.030 . 2 . . . . 18 PRO HG2 . 11089 1 116 . 1 1 18 18 PRO HG3 H 1 1.923 0.030 . 2 . . . . 18 PRO HG3 . 11089 1 117 . 1 1 18 18 PRO C C 13 176.564 0.300 . 1 . . . . 18 PRO C . 11089 1 118 . 1 1 18 18 PRO CA C 13 64.280 0.300 . 1 . . . . 18 PRO CA . 11089 1 119 . 1 1 18 18 PRO CB C 13 32.263 0.300 . 1 . . . . 18 PRO CB . 11089 1 120 . 1 1 18 18 PRO CD C 13 51.213 0.300 . 1 . . . . 18 PRO CD . 11089 1 121 . 1 1 18 18 PRO CG C 13 26.836 0.300 . 1 . . . . 18 PRO CG . 11089 1 122 . 1 1 19 19 ASN H H 1 8.056 0.030 . 1 . . . . 19 ASN H . 11089 1 123 . 1 1 19 19 ASN HA H 1 4.706 0.030 . 1 . . . . 19 ASN HA . 11089 1 124 . 1 1 19 19 ASN HB2 H 1 2.608 0.030 . 2 . . . . 19 ASN HB2 . 11089 1 125 . 1 1 19 19 ASN HB3 H 1 2.894 0.030 . 2 . . . . 19 ASN HB3 . 11089 1 126 . 1 1 19 19 ASN HD21 H 1 7.006 0.030 . 2 . . . . 19 ASN HD21 . 11089 1 127 . 1 1 19 19 ASN HD22 H 1 7.660 0.030 . 2 . . . . 19 ASN HD22 . 11089 1 128 . 1 1 19 19 ASN C C 13 174.758 0.300 . 1 . . . . 19 ASN C . 11089 1 129 . 1 1 19 19 ASN CA C 13 53.021 0.300 . 1 . . . . 19 ASN CA . 11089 1 130 . 1 1 19 19 ASN CB C 13 39.248 0.300 . 1 . . . . 19 ASN CB . 11089 1 131 . 1 1 19 19 ASN N N 15 114.394 0.300 . 1 . . . . 19 ASN N . 11089 1 132 . 1 1 19 19 ASN ND2 N 15 113.898 0.300 . 1 . . . . 19 ASN ND2 . 11089 1 133 . 1 1 20 20 ALA H H 1 7.161 0.030 . 1 . . . . 20 ALA H . 11089 1 134 . 1 1 20 20 ALA HA H 1 4.614 0.030 . 1 . . . . 20 ALA HA . 11089 1 135 . 1 1 20 20 ALA HB1 H 1 1.385 0.030 . 1 . . . . 20 ALA HB . 11089 1 136 . 1 1 20 20 ALA HB2 H 1 1.385 0.030 . 1 . . . . 20 ALA HB . 11089 1 137 . 1 1 20 20 ALA HB3 H 1 1.385 0.030 . 1 . . . . 20 ALA HB . 11089 1 138 . 1 1 20 20 ALA C C 13 175.123 0.300 . 1 . . . . 20 ALA C . 11089 1 139 . 1 1 20 20 ALA CA C 13 50.031 0.300 . 1 . . . . 20 ALA CA . 11089 1 140 . 1 1 20 20 ALA CB C 13 19.000 0.300 . 1 . . . . 20 ALA CB . 11089 1 141 . 1 1 20 20 ALA N N 15 124.825 0.300 . 1 . . . . 20 ALA N . 11089 1 142 . 1 1 21 21 PRO HA H 1 4.403 0.030 . 1 . . . . 21 PRO HA . 11089 1 143 . 1 1 21 21 PRO HB2 H 1 1.840 0.030 . 2 . . . . 21 PRO HB2 . 11089 1 144 . 1 1 21 21 PRO HB3 H 1 2.226 0.030 . 2 . . . . 21 PRO HB3 . 11089 1 145 . 1 1 21 21 PRO HD2 H 1 3.838 0.030 . 2 . . . . 21 PRO HD2 . 11089 1 146 . 1 1 21 21 PRO HD3 H 1 3.723 0.030 . 2 . . . . 21 PRO HD3 . 11089 1 147 . 1 1 21 21 PRO HG2 H 1 2.045 0.030 . 1 . . . . 21 PRO HG2 . 11089 1 148 . 1 1 21 21 PRO HG3 H 1 2.045 0.030 . 1 . . . . 21 PRO HG3 . 11089 1 149 . 1 1 21 21 PRO C C 13 176.200 0.300 . 1 . . . . 21 PRO C . 11089 1 150 . 1 1 21 21 PRO CA C 13 62.310 0.300 . 1 . . . . 21 PRO CA . 11089 1 151 . 1 1 21 21 PRO CB C 13 32.099 0.300 . 1 . . . . 21 PRO CB . 11089 1 152 . 1 1 21 21 PRO CD C 13 50.572 0.300 . 1 . . . . 21 PRO CD . 11089 1 153 . 1 1 21 21 PRO CG C 13 27.289 0.300 . 1 . . . . 21 PRO CG . 11089 1 154 . 1 1 22 22 VAL H H 1 8.575 0.030 . 1 . . . . 22 VAL H . 11089 1 155 . 1 1 22 22 VAL HA H 1 3.920 0.030 . 1 . . . . 22 VAL HA . 11089 1 156 . 1 1 22 22 VAL HB H 1 1.946 0.030 . 1 . . . . 22 VAL HB . 11089 1 157 . 1 1 22 22 VAL HG11 H 1 0.905 0.030 . 1 . . . . 22 VAL HG1 . 11089 1 158 . 1 1 22 22 VAL HG12 H 1 0.905 0.030 . 1 . . . . 22 VAL HG1 . 11089 1 159 . 1 1 22 22 VAL HG13 H 1 0.905 0.030 . 1 . . . . 22 VAL HG1 . 11089 1 160 . 1 1 22 22 VAL HG21 H 1 0.815 0.030 . 1 . . . . 22 VAL HG2 . 11089 1 161 . 1 1 22 22 VAL HG22 H 1 0.815 0.030 . 1 . . . . 22 VAL HG2 . 11089 1 162 . 1 1 22 22 VAL HG23 H 1 0.815 0.030 . 1 . . . . 22 VAL HG2 . 11089 1 163 . 1 1 22 22 VAL C C 13 177.364 0.300 . 1 . . . . 22 VAL C . 11089 1 164 . 1 1 22 22 VAL CA C 13 62.747 0.300 . 1 . . . . 22 VAL CA . 11089 1 165 . 1 1 22 22 VAL CB C 13 33.068 0.300 . 1 . . . . 22 VAL CB . 11089 1 166 . 1 1 22 22 VAL CG1 C 13 21.688 0.300 . 2 . . . . 22 VAL CG1 . 11089 1 167 . 1 1 22 22 VAL CG2 C 13 22.184 0.300 . 2 . . . . 22 VAL CG2 . 11089 1 168 . 1 1 22 22 VAL N N 15 122.889 0.300 . 1 . . . . 22 VAL N . 11089 1 169 . 1 1 23 23 THR H H 1 9.077 0.030 . 1 . . . . 23 THR H . 11089 1 170 . 1 1 23 23 THR HA H 1 4.044 0.030 . 1 . . . . 23 THR HA . 11089 1 171 . 1 1 23 23 THR HB H 1 3.819 0.030 . 1 . . . . 23 THR HB . 11089 1 172 . 1 1 23 23 THR HG21 H 1 1.188 0.030 . 1 . . . . 23 THR HG2 . 11089 1 173 . 1 1 23 23 THR HG22 H 1 1.188 0.030 . 1 . . . . 23 THR HG2 . 11089 1 174 . 1 1 23 23 THR HG23 H 1 1.188 0.030 . 1 . . . . 23 THR HG2 . 11089 1 175 . 1 1 23 23 THR C C 13 173.982 0.300 . 1 . . . . 23 THR C . 11089 1 176 . 1 1 23 23 THR CA C 13 65.652 0.300 . 1 . . . . 23 THR CA . 11089 1 177 . 1 1 23 23 THR CB C 13 69.004 0.300 . 1 . . . . 23 THR CB . 11089 1 178 . 1 1 23 23 THR CG2 C 13 22.165 0.300 . 1 . . . . 23 THR CG2 . 11089 1 179 . 1 1 23 23 THR N N 15 126.154 0.300 . 1 . . . . 23 THR N . 11089 1 180 . 1 1 24 24 LYS H H 1 7.264 0.030 . 1 . . . . 24 LYS H . 11089 1 181 . 1 1 24 24 LYS HA H 1 4.047 0.030 . 1 . . . . 24 LYS HA . 11089 1 182 . 1 1 24 24 LYS HB2 H 1 0.674 0.030 . 2 . . . . 24 LYS HB2 . 11089 1 183 . 1 1 24 24 LYS HB3 H 1 1.209 0.030 . 2 . . . . 24 LYS HB3 . 11089 1 184 . 1 1 24 24 LYS HD2 H 1 -0.513 0.030 . 2 . . . . 24 LYS HD2 . 11089 1 185 . 1 1 24 24 LYS HD3 H 1 0.697 0.030 . 2 . . . . 24 LYS HD3 . 11089 1 186 . 1 1 24 24 LYS HE2 H 1 1.543 0.030 . 2 . . . . 24 LYS HE2 . 11089 1 187 . 1 1 24 24 LYS HE3 H 1 1.015 0.030 . 2 . . . . 24 LYS HE3 . 11089 1 188 . 1 1 24 24 LYS HG2 H 1 0.701 0.030 . 2 . . . . 24 LYS HG2 . 11089 1 189 . 1 1 24 24 LYS HG3 H 1 -0.205 0.030 . 2 . . . . 24 LYS HG3 . 11089 1 190 . 1 1 24 24 LYS C C 13 171.387 0.300 . 1 . . . . 24 LYS C . 11089 1 191 . 1 1 24 24 LYS CA C 13 56.434 0.300 . 1 . . . . 24 LYS CA . 11089 1 192 . 1 1 24 24 LYS CB C 13 35.117 0.300 . 1 . . . . 24 LYS CB . 11089 1 193 . 1 1 24 24 LYS CD C 13 28.398 0.300 . 1 . . . . 24 LYS CD . 11089 1 194 . 1 1 24 24 LYS CE C 13 40.058 0.300 . 1 . . . . 24 LYS CE . 11089 1 195 . 1 1 24 24 LYS CG C 13 24.944 0.300 . 1 . . . . 24 LYS CG . 11089 1 196 . 1 1 24 24 LYS N N 15 120.214 0.300 . 1 . . . . 24 LYS N . 11089 1 197 . 1 1 25 25 ALA H H 1 8.112 0.030 . 1 . . . . 25 ALA H . 11089 1 198 . 1 1 25 25 ALA HA H 1 5.515 0.030 . 1 . . . . 25 ALA HA . 11089 1 199 . 1 1 25 25 ALA HB1 H 1 1.210 0.030 . 1 . . . . 25 ALA HB . 11089 1 200 . 1 1 25 25 ALA HB2 H 1 1.210 0.030 . 1 . . . . 25 ALA HB . 11089 1 201 . 1 1 25 25 ALA HB3 H 1 1.210 0.030 . 1 . . . . 25 ALA HB . 11089 1 202 . 1 1 25 25 ALA C C 13 176.700 0.300 . 1 . . . . 25 ALA C . 11089 1 203 . 1 1 25 25 ALA CA C 13 50.241 0.300 . 1 . . . . 25 ALA CA . 11089 1 204 . 1 1 25 25 ALA CB C 13 23.253 0.300 . 1 . . . . 25 ALA CB . 11089 1 205 . 1 1 25 25 ALA N N 15 127.492 0.300 . 1 . . . . 25 ALA N . 11089 1 206 . 1 1 26 26 GLY H H 1 8.490 0.030 . 1 . . . . 26 GLY H . 11089 1 207 . 1 1 26 26 GLY HA2 H 1 3.408 0.030 . 2 . . . . 26 GLY HA2 . 11089 1 208 . 1 1 26 26 GLY HA3 H 1 4.339 0.030 . 2 . . . . 26 GLY HA3 . 11089 1 209 . 1 1 26 26 GLY C C 13 171.137 0.300 . 1 . . . . 26 GLY C . 11089 1 210 . 1 1 26 26 GLY CA C 13 45.753 0.300 . 1 . . . . 26 GLY CA . 11089 1 211 . 1 1 26 26 GLY N N 15 109.892 0.300 . 1 . . . . 26 GLY N . 11089 1 212 . 1 1 27 27 TRP H H 1 8.780 0.030 . 1 . . . . 27 TRP H . 11089 1 213 . 1 1 27 27 TRP HA H 1 5.459 0.030 . 1 . . . . 27 TRP HA . 11089 1 214 . 1 1 27 27 TRP HB2 H 1 2.987 0.030 . 2 . . . . 27 TRP HB2 . 11089 1 215 . 1 1 27 27 TRP HB3 H 1 3.338 0.030 . 2 . . . . 27 TRP HB3 . 11089 1 216 . 1 1 27 27 TRP HD1 H 1 7.775 0.030 . 1 . . . . 27 TRP HD1 . 11089 1 217 . 1 1 27 27 TRP HE1 H 1 10.519 0.030 . 1 . . . . 27 TRP HE1 . 11089 1 218 . 1 1 27 27 TRP HE3 H 1 7.595 0.030 . 1 . . . . 27 TRP HE3 . 11089 1 219 . 1 1 27 27 TRP HH2 H 1 7.432 0.030 . 1 . . . . 27 TRP HH2 . 11089 1 220 . 1 1 27 27 TRP HZ2 H 1 7.705 0.030 . 1 . . . . 27 TRP HZ2 . 11089 1 221 . 1 1 27 27 TRP HZ3 H 1 7.126 0.030 . 1 . . . . 27 TRP HZ3 . 11089 1 222 . 1 1 27 27 TRP C C 13 177.778 0.300 . 1 . . . . 27 TRP C . 11089 1 223 . 1 1 27 27 TRP CA C 13 57.208 0.300 . 1 . . . . 27 TRP CA . 11089 1 224 . 1 1 27 27 TRP CB C 13 31.194 0.300 . 1 . . . . 27 TRP CB . 11089 1 225 . 1 1 27 27 TRP CD1 C 13 128.788 0.300 . 1 . . . . 27 TRP CD1 . 11089 1 226 . 1 1 27 27 TRP CE3 C 13 120.698 0.300 . 1 . . . . 27 TRP CE3 . 11089 1 227 . 1 1 27 27 TRP CH2 C 13 124.398 0.300 . 1 . . . . 27 TRP CH2 . 11089 1 228 . 1 1 27 27 TRP CZ2 C 13 115.312 0.300 . 1 . . . . 27 TRP CZ2 . 11089 1 229 . 1 1 27 27 TRP CZ3 C 13 121.849 0.300 . 1 . . . . 27 TRP CZ3 . 11089 1 230 . 1 1 27 27 TRP N N 15 119.848 0.300 . 1 . . . . 27 TRP N . 11089 1 231 . 1 1 27 27 TRP NE1 N 15 130.908 0.300 . 1 . . . . 27 TRP NE1 . 11089 1 232 . 1 1 28 28 LEU H H 1 9.282 0.030 . 1 . . . . 28 LEU H . 11089 1 233 . 1 1 28 28 LEU HA H 1 4.748 0.030 . 1 . . . . 28 LEU HA . 11089 1 234 . 1 1 28 28 LEU HB2 H 1 0.840 0.030 . 2 . . . . 28 LEU HB2 . 11089 1 235 . 1 1 28 28 LEU HB3 H 1 1.259 0.030 . 2 . . . . 28 LEU HB3 . 11089 1 236 . 1 1 28 28 LEU HD11 H 1 -1.305 0.030 . 1 . . . . 28 LEU HD1 . 11089 1 237 . 1 1 28 28 LEU HD12 H 1 -1.305 0.030 . 1 . . . . 28 LEU HD1 . 11089 1 238 . 1 1 28 28 LEU HD13 H 1 -1.305 0.030 . 1 . . . . 28 LEU HD1 . 11089 1 239 . 1 1 28 28 LEU HD21 H 1 0.357 0.030 . 1 . . . . 28 LEU HD2 . 11089 1 240 . 1 1 28 28 LEU HD22 H 1 0.357 0.030 . 1 . . . . 28 LEU HD2 . 11089 1 241 . 1 1 28 28 LEU HD23 H 1 0.357 0.030 . 1 . . . . 28 LEU HD2 . 11089 1 242 . 1 1 28 28 LEU HG H 1 0.734 0.030 . 1 . . . . 28 LEU HG . 11089 1 243 . 1 1 28 28 LEU C C 13 176.172 0.300 . 1 . . . . 28 LEU C . 11089 1 244 . 1 1 28 28 LEU CA C 13 54.639 0.300 . 1 . . . . 28 LEU CA . 11089 1 245 . 1 1 28 28 LEU CB C 13 47.544 0.300 . 1 . . . . 28 LEU CB . 11089 1 246 . 1 1 28 28 LEU CD1 C 13 22.697 0.300 . 2 . . . . 28 LEU CD1 . 11089 1 247 . 1 1 28 28 LEU CD2 C 13 23.669 0.300 . 2 . . . . 28 LEU CD2 . 11089 1 248 . 1 1 28 28 LEU CG C 13 26.342 0.300 . 1 . . . . 28 LEU CG . 11089 1 249 . 1 1 28 28 LEU N N 15 120.809 0.300 . 1 . . . . 28 LEU N . 11089 1 250 . 1 1 29 29 PHE H H 1 9.085 0.030 . 1 . . . . 29 PHE H . 11089 1 251 . 1 1 29 29 PHE HA H 1 5.417 0.030 . 1 . . . . 29 PHE HA . 11089 1 252 . 1 1 29 29 PHE HB2 H 1 2.900 0.030 . 2 . . . . 29 PHE HB2 . 11089 1 253 . 1 1 29 29 PHE HB3 H 1 3.280 0.030 . 2 . . . . 29 PHE HB3 . 11089 1 254 . 1 1 29 29 PHE HD1 H 1 7.128 0.030 . 1 . . . . 29 PHE HD1 . 11089 1 255 . 1 1 29 29 PHE HD2 H 1 7.128 0.030 . 1 . . . . 29 PHE HD2 . 11089 1 256 . 1 1 29 29 PHE HE1 H 1 7.400 0.030 . 1 . . . . 29 PHE HE1 . 11089 1 257 . 1 1 29 29 PHE HE2 H 1 7.400 0.030 . 1 . . . . 29 PHE HE2 . 11089 1 258 . 1 1 29 29 PHE HZ H 1 7.368 0.030 . 1 . . . . 29 PHE HZ . 11089 1 259 . 1 1 29 29 PHE C C 13 175.551 0.300 . 1 . . . . 29 PHE C . 11089 1 260 . 1 1 29 29 PHE CA C 13 57.560 0.300 . 1 . . . . 29 PHE CA . 11089 1 261 . 1 1 29 29 PHE CB C 13 40.699 0.300 . 1 . . . . 29 PHE CB . 11089 1 262 . 1 1 29 29 PHE CD1 C 13 131.818 0.300 . 1 . . . . 29 PHE CD1 . 11089 1 263 . 1 1 29 29 PHE CD2 C 13 131.818 0.300 . 1 . . . . 29 PHE CD2 . 11089 1 264 . 1 1 29 29 PHE CE1 C 13 131.928 0.300 . 1 . . . . 29 PHE CE1 . 11089 1 265 . 1 1 29 29 PHE CE2 C 13 131.928 0.300 . 1 . . . . 29 PHE CE2 . 11089 1 266 . 1 1 29 29 PHE CZ C 13 130.328 0.300 . 1 . . . . 29 PHE CZ . 11089 1 267 . 1 1 29 29 PHE N N 15 118.170 0.300 . 1 . . . . 29 PHE N . 11089 1 268 . 1 1 30 30 LYS H H 1 9.441 0.030 . 1 . . . . 30 LYS H . 11089 1 269 . 1 1 30 30 LYS HA H 1 5.241 0.030 . 1 . . . . 30 LYS HA . 11089 1 270 . 1 1 30 30 LYS HB2 H 1 1.782 0.030 . 2 . . . . 30 LYS HB2 . 11089 1 271 . 1 1 30 30 LYS HB3 H 1 1.746 0.030 . 2 . . . . 30 LYS HB3 . 11089 1 272 . 1 1 30 30 LYS HD2 H 1 1.158 0.030 . 2 . . . . 30 LYS HD2 . 11089 1 273 . 1 1 30 30 LYS HD3 H 1 1.428 0.030 . 2 . . . . 30 LYS HD3 . 11089 1 274 . 1 1 30 30 LYS HE2 H 1 2.668 0.030 . 2 . . . . 30 LYS HE2 . 11089 1 275 . 1 1 30 30 LYS HE3 H 1 2.860 0.030 . 2 . . . . 30 LYS HE3 . 11089 1 276 . 1 1 30 30 LYS HG2 H 1 1.148 0.030 . 2 . . . . 30 LYS HG2 . 11089 1 277 . 1 1 30 30 LYS HG3 H 1 1.386 0.030 . 2 . . . . 30 LYS HG3 . 11089 1 278 . 1 1 30 30 LYS C C 13 175.830 0.300 . 1 . . . . 30 LYS C . 11089 1 279 . 1 1 30 30 LYS CA C 13 54.076 0.300 . 1 . . . . 30 LYS CA . 11089 1 280 . 1 1 30 30 LYS CB C 13 35.857 0.300 . 1 . . . . 30 LYS CB . 11089 1 281 . 1 1 30 30 LYS CD C 13 29.303 0.300 . 1 . . . . 30 LYS CD . 11089 1 282 . 1 1 30 30 LYS CE C 13 41.283 0.300 . 1 . . . . 30 LYS CE . 11089 1 283 . 1 1 30 30 LYS CG C 13 23.440 0.300 . 1 . . . . 30 LYS CG . 11089 1 284 . 1 1 30 30 LYS N N 15 122.869 0.300 . 1 . . . . 30 LYS N . 11089 1 285 . 1 1 31 31 GLN H H 1 8.019 0.030 . 1 . . . . 31 GLN H . 11089 1 286 . 1 1 31 31 GLN HA H 1 3.565 0.030 . 1 . . . . 31 GLN HA . 11089 1 287 . 1 1 31 31 GLN HB2 H 1 1.494 0.030 . 2 . . . . 31 GLN HB2 . 11089 1 288 . 1 1 31 31 GLN HB3 H 1 0.116 0.030 . 2 . . . . 31 GLN HB3 . 11089 1 289 . 1 1 31 31 GLN HE21 H 1 6.293 0.030 . 2 . . . . 31 GLN HE21 . 11089 1 290 . 1 1 31 31 GLN HE22 H 1 6.528 0.030 . 2 . . . . 31 GLN HE22 . 11089 1 291 . 1 1 31 31 GLN HG2 H 1 1.725 0.030 . 2 . . . . 31 GLN HG2 . 11089 1 292 . 1 1 31 31 GLN HG3 H 1 0.830 0.030 . 2 . . . . 31 GLN HG3 . 11089 1 293 . 1 1 31 31 GLN C C 13 176.015 0.300 . 1 . . . . 31 GLN C . 11089 1 294 . 1 1 31 31 GLN CA C 13 56.482 0.300 . 1 . . . . 31 GLN CA . 11089 1 295 . 1 1 31 31 GLN CB C 13 28.867 0.300 . 1 . . . . 31 GLN CB . 11089 1 296 . 1 1 31 31 GLN CG C 13 34.319 0.300 . 1 . . . . 31 GLN CG . 11089 1 297 . 1 1 31 31 GLN N N 15 130.486 0.300 . 1 . . . . 31 GLN N . 11089 1 298 . 1 1 31 31 GLN NE2 N 15 109.945 0.300 . 1 . . . . 31 GLN NE2 . 11089 1 299 . 1 1 32 32 ALA H H 1 8.644 0.030 . 1 . . . . 32 ALA H . 11089 1 300 . 1 1 32 32 ALA HA H 1 4.335 0.030 . 1 . . . . 32 ALA HA . 11089 1 301 . 1 1 32 32 ALA HB1 H 1 1.451 0.030 . 1 . . . . 32 ALA HB . 11089 1 302 . 1 1 32 32 ALA HB2 H 1 1.451 0.030 . 1 . . . . 32 ALA HB . 11089 1 303 . 1 1 32 32 ALA HB3 H 1 1.451 0.030 . 1 . . . . 32 ALA HB . 11089 1 304 . 1 1 32 32 ALA C C 13 177.788 0.300 . 1 . . . . 32 ALA C . 11089 1 305 . 1 1 32 32 ALA CA C 13 53.021 0.300 . 1 . . . . 32 ALA CA . 11089 1 306 . 1 1 32 32 ALA CB C 13 19.928 0.300 . 1 . . . . 32 ALA CB . 11089 1 307 . 1 1 32 32 ALA N N 15 131.578 0.300 . 1 . . . . 32 ALA N . 11089 1 308 . 1 1 35 35 GLY HA2 H 1 3.769 0.030 . 2 . . . . 35 GLY HA2 . 11089 1 309 . 1 1 35 35 GLY HA3 H 1 4.073 0.030 . 2 . . . . 35 GLY HA3 . 11089 1 310 . 1 1 35 35 GLY C C 13 174.476 0.300 . 1 . . . . 35 GLY C . 11089 1 311 . 1 1 35 35 GLY CA C 13 45.526 0.300 . 1 . . . . 35 GLY CA . 11089 1 312 . 1 1 36 36 VAL H H 1 7.950 0.030 . 1 . . . . 36 VAL H . 11089 1 313 . 1 1 36 36 VAL HA H 1 4.029 0.030 . 1 . . . . 36 VAL HA . 11089 1 314 . 1 1 36 36 VAL HB H 1 2.112 0.030 . 1 . . . . 36 VAL HB . 11089 1 315 . 1 1 36 36 VAL HG11 H 1 0.902 0.030 . 1 . . . . 36 VAL HG1 . 11089 1 316 . 1 1 36 36 VAL HG12 H 1 0.902 0.030 . 1 . . . . 36 VAL HG1 . 11089 1 317 . 1 1 36 36 VAL HG13 H 1 0.902 0.030 . 1 . . . . 36 VAL HG1 . 11089 1 318 . 1 1 36 36 VAL HG21 H 1 0.910 0.030 . 1 . . . . 36 VAL HG2 . 11089 1 319 . 1 1 36 36 VAL HG22 H 1 0.910 0.030 . 1 . . . . 36 VAL HG2 . 11089 1 320 . 1 1 36 36 VAL HG23 H 1 0.910 0.030 . 1 . . . . 36 VAL HG2 . 11089 1 321 . 1 1 36 36 VAL C C 13 176.345 0.300 . 1 . . . . 36 VAL C . 11089 1 322 . 1 1 36 36 VAL CA C 13 62.310 0.300 . 1 . . . . 36 VAL CA . 11089 1 323 . 1 1 36 36 VAL CB C 13 32.099 0.300 . 1 . . . . 36 VAL CB . 11089 1 324 . 1 1 36 36 VAL CG1 C 13 21.183 0.300 . 2 . . . . 36 VAL CG1 . 11089 1 325 . 1 1 36 36 VAL CG2 C 13 20.168 0.300 . 2 . . . . 36 VAL CG2 . 11089 1 326 . 1 1 36 36 VAL N N 15 119.220 0.300 . 1 . . . . 36 VAL N . 11089 1 327 . 1 1 37 37 LYS H H 1 8.396 0.030 . 1 . . . . 37 LYS H . 11089 1 328 . 1 1 37 37 LYS HA H 1 4.032 0.030 . 1 . . . . 37 LYS HA . 11089 1 329 . 1 1 37 37 LYS HB2 H 1 1.755 0.030 . 2 . . . . 37 LYS HB2 . 11089 1 330 . 1 1 37 37 LYS HB3 H 1 1.720 0.030 . 2 . . . . 37 LYS HB3 . 11089 1 331 . 1 1 37 37 LYS HD2 H 1 1.588 0.030 . 1 . . . . 37 LYS HD2 . 11089 1 332 . 1 1 37 37 LYS HD3 H 1 1.588 0.030 . 1 . . . . 37 LYS HD3 . 11089 1 333 . 1 1 37 37 LYS HE2 H 1 2.930 0.030 . 1 . . . . 37 LYS HE2 . 11089 1 334 . 1 1 37 37 LYS HE3 H 1 2.930 0.030 . 1 . . . . 37 LYS HE3 . 11089 1 335 . 1 1 37 37 LYS HG2 H 1 1.236 0.030 . 2 . . . . 37 LYS HG2 . 11089 1 336 . 1 1 37 37 LYS HG3 H 1 1.355 0.030 . 2 . . . . 37 LYS HG3 . 11089 1 337 . 1 1 37 37 LYS C C 13 175.599 0.300 . 1 . . . . 37 LYS C . 11089 1 338 . 1 1 37 37 LYS CA C 13 56.821 0.300 . 1 . . . . 37 LYS CA . 11089 1 339 . 1 1 37 37 LYS CB C 13 30.536 0.300 . 1 . . . . 37 LYS CB . 11089 1 340 . 1 1 37 37 LYS CD C 13 29.221 0.300 . 1 . . . . 37 LYS CD . 11089 1 341 . 1 1 37 37 LYS CE C 13 42.214 0.300 . 1 . . . . 37 LYS CE . 11089 1 342 . 1 1 37 37 LYS CG C 13 24.927 0.300 . 1 . . . . 37 LYS CG . 11089 1 343 . 1 1 37 37 LYS N N 15 123.288 0.300 . 1 . . . . 37 LYS N . 11089 1 344 . 1 1 38 38 GLN H H 1 7.801 0.030 . 1 . . . . 38 GLN H . 11089 1 345 . 1 1 38 38 GLN HA H 1 4.497 0.030 . 1 . . . . 38 GLN HA . 11089 1 346 . 1 1 38 38 GLN HB2 H 1 1.974 0.030 . 1 . . . . 38 GLN HB2 . 11089 1 347 . 1 1 38 38 GLN HB3 H 1 1.974 0.030 . 1 . . . . 38 GLN HB3 . 11089 1 348 . 1 1 38 38 GLN HE21 H 1 7.620 0.030 . 2 . . . . 38 GLN HE21 . 11089 1 349 . 1 1 38 38 GLN HE22 H 1 6.896 0.030 . 2 . . . . 38 GLN HE22 . 11089 1 350 . 1 1 38 38 GLN HG2 H 1 2.266 0.030 . 1 . . . . 38 GLN HG2 . 11089 1 351 . 1 1 38 38 GLN HG3 H 1 2.266 0.030 . 1 . . . . 38 GLN HG3 . 11089 1 352 . 1 1 38 38 GLN C C 13 174.216 0.300 . 1 . . . . 38 GLN C . 11089 1 353 . 1 1 38 38 GLN CA C 13 55.343 0.300 . 1 . . . . 38 GLN CA . 11089 1 354 . 1 1 38 38 GLN CB C 13 30.674 0.300 . 1 . . . . 38 GLN CB . 11089 1 355 . 1 1 38 38 GLN CG C 13 33.509 0.300 . 1 . . . . 38 GLN CG . 11089 1 356 . 1 1 38 38 GLN N N 15 120.446 0.300 . 1 . . . . 38 GLN N . 11089 1 357 . 1 1 38 38 GLN NE2 N 15 112.561 0.300 . 1 . . . . 38 GLN NE2 . 11089 1 358 . 1 1 39 39 TRP H H 1 8.812 0.030 . 1 . . . . 39 TRP H . 11089 1 359 . 1 1 39 39 TRP HA H 1 4.898 0.030 . 1 . . . . 39 TRP HA . 11089 1 360 . 1 1 39 39 TRP HB2 H 1 2.997 0.030 . 1 . . . . 39 TRP HB2 . 11089 1 361 . 1 1 39 39 TRP HB3 H 1 2.997 0.030 . 1 . . . . 39 TRP HB3 . 11089 1 362 . 1 1 39 39 TRP HD1 H 1 7.225 0.030 . 1 . . . . 39 TRP HD1 . 11089 1 363 . 1 1 39 39 TRP HE1 H 1 10.127 0.030 . 1 . . . . 39 TRP HE1 . 11089 1 364 . 1 1 39 39 TRP HE3 H 1 7.027 0.030 . 1 . . . . 39 TRP HE3 . 11089 1 365 . 1 1 39 39 TRP HH2 H 1 6.735 0.030 . 1 . . . . 39 TRP HH2 . 11089 1 366 . 1 1 39 39 TRP HZ2 H 1 7.240 0.030 . 1 . . . . 39 TRP HZ2 . 11089 1 367 . 1 1 39 39 TRP HZ3 H 1 6.558 0.030 . 1 . . . . 39 TRP HZ3 . 11089 1 368 . 1 1 39 39 TRP C C 13 175.453 0.300 . 1 . . . . 39 TRP C . 11089 1 369 . 1 1 39 39 TRP CA C 13 56.082 0.300 . 1 . . . . 39 TRP CA . 11089 1 370 . 1 1 39 39 TRP CB C 13 30.717 0.300 . 1 . . . . 39 TRP CB . 11089 1 371 . 1 1 39 39 TRP CD1 C 13 127.845 0.300 . 1 . . . . 39 TRP CD1 . 11089 1 372 . 1 1 39 39 TRP CE3 C 13 119.493 0.300 . 1 . . . . 39 TRP CE3 . 11089 1 373 . 1 1 39 39 TRP CH2 C 13 123.620 0.300 . 1 . . . . 39 TRP CH2 . 11089 1 374 . 1 1 39 39 TRP CZ2 C 13 114.381 0.300 . 1 . . . . 39 TRP CZ2 . 11089 1 375 . 1 1 39 39 TRP CZ3 C 13 121.829 0.300 . 1 . . . . 39 TRP CZ3 . 11089 1 376 . 1 1 39 39 TRP N N 15 123.131 0.300 . 1 . . . . 39 TRP N . 11089 1 377 . 1 1 39 39 TRP NE1 N 15 130.480 0.300 . 1 . . . . 39 TRP NE1 . 11089 1 378 . 1 1 40 40 ASN H H 1 8.907 0.030 . 1 . . . . 40 ASN H . 11089 1 379 . 1 1 40 40 ASN HA H 1 5.333 0.030 . 1 . . . . 40 ASN HA . 11089 1 380 . 1 1 40 40 ASN HB2 H 1 2.515 0.030 . 2 . . . . 40 ASN HB2 . 11089 1 381 . 1 1 40 40 ASN HB3 H 1 2.805 0.030 . 2 . . . . 40 ASN HB3 . 11089 1 382 . 1 1 40 40 ASN HD21 H 1 7.918 0.030 . 2 . . . . 40 ASN HD21 . 11089 1 383 . 1 1 40 40 ASN HD22 H 1 7.184 0.030 . 2 . . . . 40 ASN HD22 . 11089 1 384 . 1 1 40 40 ASN C C 13 173.825 0.300 . 1 . . . . 40 ASN C . 11089 1 385 . 1 1 40 40 ASN CA C 13 52.191 0.300 . 1 . . . . 40 ASN CA . 11089 1 386 . 1 1 40 40 ASN CB C 13 41.477 0.300 . 1 . . . . 40 ASN CB . 11089 1 387 . 1 1 40 40 ASN N N 15 120.350 0.300 . 1 . . . . 40 ASN N . 11089 1 388 . 1 1 40 40 ASN ND2 N 15 114.183 0.300 . 1 . . . . 40 ASN ND2 . 11089 1 389 . 1 1 41 41 LYS H H 1 9.311 0.030 . 1 . . . . 41 LYS H . 11089 1 390 . 1 1 41 41 LYS HA H 1 4.202 0.030 . 1 . . . . 41 LYS HA . 11089 1 391 . 1 1 41 41 LYS HB2 H 1 1.646 0.030 . 2 . . . . 41 LYS HB2 . 11089 1 392 . 1 1 41 41 LYS HB3 H 1 1.017 0.030 . 2 . . . . 41 LYS HB3 . 11089 1 393 . 1 1 41 41 LYS HD2 H 1 1.179 0.030 . 2 . . . . 41 LYS HD2 . 11089 1 394 . 1 1 41 41 LYS HD3 H 1 1.067 0.030 . 2 . . . . 41 LYS HD3 . 11089 1 395 . 1 1 41 41 LYS HE2 H 1 1.910 0.030 . 2 . . . . 41 LYS HE2 . 11089 1 396 . 1 1 41 41 LYS HE3 H 1 2.126 0.030 . 2 . . . . 41 LYS HE3 . 11089 1 397 . 1 1 41 41 LYS HG2 H 1 1.183 0.030 . 2 . . . . 41 LYS HG2 . 11089 1 398 . 1 1 41 41 LYS HG3 H 1 0.290 0.030 . 2 . . . . 41 LYS HG3 . 11089 1 399 . 1 1 41 41 LYS C C 13 176.357 0.300 . 1 . . . . 41 LYS C . 11089 1 400 . 1 1 41 41 LYS CA C 13 57.208 0.300 . 1 . . . . 41 LYS CA . 11089 1 401 . 1 1 41 41 LYS CB C 13 32.597 0.300 . 1 . . . . 41 LYS CB . 11089 1 402 . 1 1 41 41 LYS CD C 13 29.303 0.300 . 1 . . . . 41 LYS CD . 11089 1 403 . 1 1 41 41 LYS CE C 13 41.147 0.300 . 1 . . . . 41 LYS CE . 11089 1 404 . 1 1 41 41 LYS CG C 13 25.764 0.300 . 1 . . . . 41 LYS CG . 11089 1 405 . 1 1 41 41 LYS N N 15 128.138 0.300 . 1 . . . . 41 LYS N . 11089 1 406 . 1 1 42 42 ARG H H 1 9.452 0.030 . 1 . . . . 42 ARG H . 11089 1 407 . 1 1 42 42 ARG HA H 1 5.076 0.030 . 1 . . . . 42 ARG HA . 11089 1 408 . 1 1 42 42 ARG HB2 H 1 1.884 0.030 . 2 . . . . 42 ARG HB2 . 11089 1 409 . 1 1 42 42 ARG HB3 H 1 1.982 0.030 . 2 . . . . 42 ARG HB3 . 11089 1 410 . 1 1 42 42 ARG HD2 H 1 2.948 0.030 . 2 . . . . 42 ARG HD2 . 11089 1 411 . 1 1 42 42 ARG HD3 H 1 3.755 0.030 . 2 . . . . 42 ARG HD3 . 11089 1 412 . 1 1 42 42 ARG HG2 H 1 1.640 0.030 . 2 . . . . 42 ARG HG2 . 11089 1 413 . 1 1 42 42 ARG HG3 H 1 1.542 0.030 . 2 . . . . 42 ARG HG3 . 11089 1 414 . 1 1 42 42 ARG C C 13 172.415 0.300 . 1 . . . . 42 ARG C . 11089 1 415 . 1 1 42 42 ARG CA C 13 53.408 0.300 . 1 . . . . 42 ARG CA . 11089 1 416 . 1 1 42 42 ARG CB C 13 34.271 0.300 . 1 . . . . 42 ARG CB . 11089 1 417 . 1 1 42 42 ARG CD C 13 43.720 0.300 . 1 . . . . 42 ARG CD . 11089 1 418 . 1 1 42 42 ARG CG C 13 26.518 0.300 . 1 . . . . 42 ARG CG . 11089 1 419 . 1 1 42 42 ARG N N 15 127.731 0.300 . 1 . . . . 42 ARG N . 11089 1 420 . 1 1 43 43 TRP H H 1 8.096 0.030 . 1 . . . . 43 TRP H . 11089 1 421 . 1 1 43 43 TRP HA H 1 4.408 0.030 . 1 . . . . 43 TRP HA . 11089 1 422 . 1 1 43 43 TRP HB2 H 1 1.622 0.030 . 2 . . . . 43 TRP HB2 . 11089 1 423 . 1 1 43 43 TRP HB3 H 1 2.445 0.030 . 2 . . . . 43 TRP HB3 . 11089 1 424 . 1 1 43 43 TRP HD1 H 1 6.389 0.030 . 1 . . . . 43 TRP HD1 . 11089 1 425 . 1 1 43 43 TRP HE1 H 1 10.549 0.030 . 1 . . . . 43 TRP HE1 . 11089 1 426 . 1 1 43 43 TRP HE3 H 1 5.157 0.030 . 1 . . . . 43 TRP HE3 . 11089 1 427 . 1 1 43 43 TRP HH2 H 1 6.970 0.030 . 1 . . . . 43 TRP HH2 . 11089 1 428 . 1 1 43 43 TRP HZ2 H 1 7.159 0.030 . 1 . . . . 43 TRP HZ2 . 11089 1 429 . 1 1 43 43 TRP HZ3 H 1 6.597 0.030 . 1 . . . . 43 TRP HZ3 . 11089 1 430 . 1 1 43 43 TRP C C 13 174.412 0.300 . 1 . . . . 43 TRP C . 11089 1 431 . 1 1 43 43 TRP CA C 13 56.011 0.300 . 1 . . . . 43 TRP CA . 11089 1 432 . 1 1 43 43 TRP CB C 13 29.767 0.300 . 1 . . . . 43 TRP CB . 11089 1 433 . 1 1 43 43 TRP CD1 C 13 127.177 0.300 . 1 . . . . 43 TRP CD1 . 11089 1 434 . 1 1 43 43 TRP CE3 C 13 119.329 0.300 . 1 . . . . 43 TRP CE3 . 11089 1 435 . 1 1 43 43 TRP CH2 C 13 123.405 0.300 . 1 . . . . 43 TRP CH2 . 11089 1 436 . 1 1 43 43 TRP CZ2 C 13 114.607 0.300 . 1 . . . . 43 TRP CZ2 . 11089 1 437 . 1 1 43 43 TRP CZ3 C 13 121.318 0.300 . 1 . . . . 43 TRP CZ3 . 11089 1 438 . 1 1 43 43 TRP N N 15 123.944 0.300 . 1 . . . . 43 TRP N . 11089 1 439 . 1 1 43 43 TRP NE1 N 15 130.154 0.300 . 1 . . . . 43 TRP NE1 . 11089 1 440 . 1 1 44 44 PHE H H 1 8.734 0.030 . 1 . . . . 44 PHE H . 11089 1 441 . 1 1 44 44 PHE HA H 1 4.948 0.030 . 1 . . . . 44 PHE HA . 11089 1 442 . 1 1 44 44 PHE HB2 H 1 2.261 0.030 . 2 . . . . 44 PHE HB2 . 11089 1 443 . 1 1 44 44 PHE HB3 H 1 2.720 0.030 . 2 . . . . 44 PHE HB3 . 11089 1 444 . 1 1 44 44 PHE HD1 H 1 6.961 0.030 . 1 . . . . 44 PHE HD1 . 11089 1 445 . 1 1 44 44 PHE HD2 H 1 6.961 0.030 . 1 . . . . 44 PHE HD2 . 11089 1 446 . 1 1 44 44 PHE HE1 H 1 6.764 0.030 . 1 . . . . 44 PHE HE1 . 11089 1 447 . 1 1 44 44 PHE HE2 H 1 6.764 0.030 . 1 . . . . 44 PHE HE2 . 11089 1 448 . 1 1 44 44 PHE HZ H 1 6.392 0.030 . 1 . . . . 44 PHE HZ . 11089 1 449 . 1 1 44 44 PHE C C 13 174.469 0.300 . 1 . . . . 44 PHE C . 11089 1 450 . 1 1 44 44 PHE CA C 13 57.137 0.300 . 1 . . . . 44 PHE CA . 11089 1 451 . 1 1 44 44 PHE CB C 13 42.963 0.300 . 1 . . . . 44 PHE CB . 11089 1 452 . 1 1 44 44 PHE CD1 C 13 132.159 0.300 . 1 . . . . 44 PHE CD1 . 11089 1 453 . 1 1 44 44 PHE CD2 C 13 132.159 0.300 . 1 . . . . 44 PHE CD2 . 11089 1 454 . 1 1 44 44 PHE CE1 C 13 130.981 0.300 . 1 . . . . 44 PHE CE1 . 11089 1 455 . 1 1 44 44 PHE CE2 C 13 130.981 0.300 . 1 . . . . 44 PHE CE2 . 11089 1 456 . 1 1 44 44 PHE CZ C 13 127.432 0.300 . 1 . . . . 44 PHE CZ . 11089 1 457 . 1 1 44 44 PHE N N 15 127.499 0.300 . 1 . . . . 44 PHE N . 11089 1 458 . 1 1 45 45 VAL H H 1 9.190 0.030 . 1 . . . . 45 VAL H . 11089 1 459 . 1 1 45 45 VAL HA H 1 4.536 0.030 . 1 . . . . 45 VAL HA . 11089 1 460 . 1 1 45 45 VAL HB H 1 2.132 0.030 . 1 . . . . 45 VAL HB . 11089 1 461 . 1 1 45 45 VAL HG11 H 1 0.970 0.030 . 1 . . . . 45 VAL HG1 . 11089 1 462 . 1 1 45 45 VAL HG12 H 1 0.970 0.030 . 1 . . . . 45 VAL HG1 . 11089 1 463 . 1 1 45 45 VAL HG13 H 1 0.970 0.030 . 1 . . . . 45 VAL HG1 . 11089 1 464 . 1 1 45 45 VAL HG21 H 1 0.901 0.030 . 1 . . . . 45 VAL HG2 . 11089 1 465 . 1 1 45 45 VAL HG22 H 1 0.901 0.030 . 1 . . . . 45 VAL HG2 . 11089 1 466 . 1 1 45 45 VAL HG23 H 1 0.901 0.030 . 1 . . . . 45 VAL HG2 . 11089 1 467 . 1 1 45 45 VAL C C 13 174.318 0.300 . 1 . . . . 45 VAL C . 11089 1 468 . 1 1 45 45 VAL CA C 13 61.711 0.300 . 1 . . . . 45 VAL CA . 11089 1 469 . 1 1 45 45 VAL CB C 13 36.114 0.300 . 1 . . . . 45 VAL CB . 11089 1 470 . 1 1 45 45 VAL CG1 C 13 22.660 0.300 . 2 . . . . 45 VAL CG1 . 11089 1 471 . 1 1 45 45 VAL CG2 C 13 22.002 0.300 . 2 . . . . 45 VAL CG2 . 11089 1 472 . 1 1 45 45 VAL N N 15 117.665 0.300 . 1 . . . . 45 VAL N . 11089 1 473 . 1 1 46 46 LEU H H 1 9.328 0.030 . 1 . . . . 46 LEU H . 11089 1 474 . 1 1 46 46 LEU HA H 1 5.331 0.030 . 1 . . . . 46 LEU HA . 11089 1 475 . 1 1 46 46 LEU HB2 H 1 2.051 0.030 . 2 . . . . 46 LEU HB2 . 11089 1 476 . 1 1 46 46 LEU HB3 H 1 1.387 0.030 . 2 . . . . 46 LEU HB3 . 11089 1 477 . 1 1 46 46 LEU HD11 H 1 0.670 0.030 . 1 . . . . 46 LEU HD1 . 11089 1 478 . 1 1 46 46 LEU HD12 H 1 0.670 0.030 . 1 . . . . 46 LEU HD1 . 11089 1 479 . 1 1 46 46 LEU HD13 H 1 0.670 0.030 . 1 . . . . 46 LEU HD1 . 11089 1 480 . 1 1 46 46 LEU HD21 H 1 0.723 0.030 . 1 . . . . 46 LEU HD2 . 11089 1 481 . 1 1 46 46 LEU HD22 H 1 0.723 0.030 . 1 . . . . 46 LEU HD2 . 11089 1 482 . 1 1 46 46 LEU HD23 H 1 0.723 0.030 . 1 . . . . 46 LEU HD2 . 11089 1 483 . 1 1 46 46 LEU HG H 1 1.528 0.030 . 1 . . . . 46 LEU HG . 11089 1 484 . 1 1 46 46 LEU C C 13 174.469 0.300 . 1 . . . . 46 LEU C . 11089 1 485 . 1 1 46 46 LEU CA C 13 53.830 0.300 . 1 . . . . 46 LEU CA . 11089 1 486 . 1 1 46 46 LEU CB C 13 44.187 0.300 . 1 . . . . 46 LEU CB . 11089 1 487 . 1 1 46 46 LEU CD1 C 13 23.698 0.300 . 2 . . . . 46 LEU CD1 . 11089 1 488 . 1 1 46 46 LEU CD2 C 13 27.167 0.300 . 2 . . . . 46 LEU CD2 . 11089 1 489 . 1 1 46 46 LEU CG C 13 27.770 0.300 . 1 . . . . 46 LEU CG . 11089 1 490 . 1 1 46 46 LEU N N 15 129.880 0.300 . 1 . . . . 46 LEU N . 11089 1 491 . 1 1 47 47 VAL H H 1 9.055 0.030 . 1 . . . . 47 VAL H . 11089 1 492 . 1 1 47 47 VAL HA H 1 4.561 0.030 . 1 . . . . 47 VAL HA . 11089 1 493 . 1 1 47 47 VAL HB H 1 2.206 0.030 . 1 . . . . 47 VAL HB . 11089 1 494 . 1 1 47 47 VAL HG11 H 1 1.012 0.030 . 1 . . . . 47 VAL HG1 . 11089 1 495 . 1 1 47 47 VAL HG12 H 1 1.012 0.030 . 1 . . . . 47 VAL HG1 . 11089 1 496 . 1 1 47 47 VAL HG13 H 1 1.012 0.030 . 1 . . . . 47 VAL HG1 . 11089 1 497 . 1 1 47 47 VAL HG21 H 1 1.047 0.030 . 1 . . . . 47 VAL HG2 . 11089 1 498 . 1 1 47 47 VAL HG22 H 1 1.047 0.030 . 1 . . . . 47 VAL HG2 . 11089 1 499 . 1 1 47 47 VAL HG23 H 1 1.047 0.030 . 1 . . . . 47 VAL HG2 . 11089 1 500 . 1 1 47 47 VAL CA C 13 60.955 0.300 . 1 . . . . 47 VAL CA . 11089 1 501 . 1 1 47 47 VAL CB C 13 35.037 0.300 . 1 . . . . 47 VAL CB . 11089 1 502 . 1 1 47 47 VAL CG1 C 13 22.066 0.300 . 2 . . . . 47 VAL CG1 . 11089 1 503 . 1 1 47 47 VAL CG2 C 13 21.258 0.300 . 2 . . . . 47 VAL CG2 . 11089 1 504 . 1 1 48 48 ASP H H 1 9.705 0.030 . 1 . . . . 48 ASP H . 11089 1 505 . 1 1 48 48 ASP HA H 1 4.268 0.030 . 1 . . . . 48 ASP HA . 11089 1 506 . 1 1 48 48 ASP HB2 H 1 3.167 0.030 . 2 . . . . 48 ASP HB2 . 11089 1 507 . 1 1 48 48 ASP HB3 H 1 2.616 0.030 . 2 . . . . 48 ASP HB3 . 11089 1 508 . 1 1 48 48 ASP CA C 13 55.984 0.300 . 1 . . . . 48 ASP CA . 11089 1 509 . 1 1 48 48 ASP CB C 13 39.829 0.300 . 1 . . . . 48 ASP CB . 11089 1 510 . 1 1 48 48 ASP N N 15 129.225 0.300 . 1 . . . . 48 ASP N . 11089 1 511 . 1 1 49 49 ARG H H 1 8.707 0.030 . 1 . . . . 49 ARG H . 11089 1 512 . 1 1 49 49 ARG HA H 1 4.165 0.030 . 1 . . . . 49 ARG HA . 11089 1 513 . 1 1 49 49 ARG HD2 H 1 3.265 0.030 . 1 . . . . 49 ARG HD2 . 11089 1 514 . 1 1 49 49 ARG HD3 H 1 3.265 0.030 . 1 . . . . 49 ARG HD3 . 11089 1 515 . 1 1 49 49 ARG HG2 H 1 1.635 0.030 . 1 . . . . 49 ARG HG2 . 11089 1 516 . 1 1 49 49 ARG HG3 H 1 1.635 0.030 . 1 . . . . 49 ARG HG3 . 11089 1 517 . 1 1 49 49 ARG CB C 13 31.395 0.300 . 1 . . . . 49 ARG CB . 11089 1 518 . 1 1 49 49 ARG CD C 13 43.988 0.300 . 1 . . . . 49 ARG CD . 11089 1 519 . 1 1 49 49 ARG CG C 13 28.058 0.300 . 1 . . . . 49 ARG CG . 11089 1 520 . 1 1 50 50 CYS H H 1 8.233 0.030 . 1 . . . . 50 CYS H . 11089 1 521 . 1 1 50 50 CYS HA H 1 4.711 0.030 . 1 . . . . 50 CYS HA . 11089 1 522 . 1 1 50 50 CYS HB2 H 1 2.611 0.030 . 1 . . . . 50 CYS HB2 . 11089 1 523 . 1 1 50 50 CYS HB3 H 1 2.611 0.030 . 1 . . . . 50 CYS HB3 . 11089 1 524 . 1 1 50 50 CYS C C 13 171.254 0.300 . 1 . . . . 50 CYS C . 11089 1 525 . 1 1 50 50 CYS CA C 13 57.524 0.300 . 1 . . . . 50 CYS CA . 11089 1 526 . 1 1 50 50 CYS CB C 13 29.980 0.300 . 1 . . . . 50 CYS CB . 11089 1 527 . 1 1 50 50 CYS N N 15 120.327 0.300 . 1 . . . . 50 CYS N . 11089 1 528 . 1 1 51 51 LEU H H 1 8.127 0.030 . 1 . . . . 51 LEU H . 11089 1 529 . 1 1 51 51 LEU HA H 1 5.014 0.030 . 1 . . . . 51 LEU HA . 11089 1 530 . 1 1 51 51 LEU HB2 H 1 1.423 0.030 . 2 . . . . 51 LEU HB2 . 11089 1 531 . 1 1 51 51 LEU HB3 H 1 1.671 0.030 . 2 . . . . 51 LEU HB3 . 11089 1 532 . 1 1 51 51 LEU HD11 H 1 0.643 0.030 . 1 . . . . 51 LEU HD1 . 11089 1 533 . 1 1 51 51 LEU HD12 H 1 0.643 0.030 . 1 . . . . 51 LEU HD1 . 11089 1 534 . 1 1 51 51 LEU HD13 H 1 0.643 0.030 . 1 . . . . 51 LEU HD1 . 11089 1 535 . 1 1 51 51 LEU HD21 H 1 0.772 0.030 . 1 . . . . 51 LEU HD2 . 11089 1 536 . 1 1 51 51 LEU HD22 H 1 0.772 0.030 . 1 . . . . 51 LEU HD2 . 11089 1 537 . 1 1 51 51 LEU HD23 H 1 0.772 0.030 . 1 . . . . 51 LEU HD2 . 11089 1 538 . 1 1 51 51 LEU HG H 1 1.548 0.030 . 1 . . . . 51 LEU HG . 11089 1 539 . 1 1 51 51 LEU C C 13 175.107 0.300 . 1 . . . . 51 LEU C . 11089 1 540 . 1 1 51 51 LEU CA C 13 52.944 0.300 . 1 . . . . 51 LEU CA . 11089 1 541 . 1 1 51 51 LEU CB C 13 44.434 0.300 . 1 . . . . 51 LEU CB . 11089 1 542 . 1 1 51 51 LEU CD1 C 13 25.361 0.300 . 2 . . . . 51 LEU CD1 . 11089 1 543 . 1 1 51 51 LEU CD2 C 13 25.100 0.300 . 2 . . . . 51 LEU CD2 . 11089 1 544 . 1 1 51 51 LEU CG C 13 26.589 0.300 . 1 . . . . 51 LEU CG . 11089 1 545 . 1 1 51 51 LEU N N 15 126.889 0.300 . 1 . . . . 51 LEU N . 11089 1 546 . 1 1 52 52 PHE H H 1 9.480 0.030 . 1 . . . . 52 PHE H . 11089 1 547 . 1 1 52 52 PHE HA H 1 4.818 0.030 . 1 . . . . 52 PHE HA . 11089 1 548 . 1 1 52 52 PHE HB2 H 1 2.727 0.030 . 2 . . . . 52 PHE HB2 . 11089 1 549 . 1 1 52 52 PHE HB3 H 1 3.011 0.030 . 2 . . . . 52 PHE HB3 . 11089 1 550 . 1 1 52 52 PHE HD1 H 1 7.165 0.030 . 1 . . . . 52 PHE HD1 . 11089 1 551 . 1 1 52 52 PHE HD2 H 1 7.165 0.030 . 1 . . . . 52 PHE HD2 . 11089 1 552 . 1 1 52 52 PHE HE1 H 1 7.291 0.030 . 1 . . . . 52 PHE HE1 . 11089 1 553 . 1 1 52 52 PHE HE2 H 1 7.291 0.030 . 1 . . . . 52 PHE HE2 . 11089 1 554 . 1 1 52 52 PHE HZ H 1 7.131 0.030 . 1 . . . . 52 PHE HZ . 11089 1 555 . 1 1 52 52 PHE C C 13 174.535 0.300 . 1 . . . . 52 PHE C . 11089 1 556 . 1 1 52 52 PHE CA C 13 57.489 0.300 . 1 . . . . 52 PHE CA . 11089 1 557 . 1 1 52 52 PHE CB C 13 42.460 0.300 . 1 . . . . 52 PHE CB . 11089 1 558 . 1 1 52 52 PHE CD1 C 13 132.124 0.300 . 1 . . . . 52 PHE CD1 . 11089 1 559 . 1 1 52 52 PHE CD2 C 13 132.124 0.300 . 1 . . . . 52 PHE CD2 . 11089 1 560 . 1 1 52 52 PHE CE1 C 13 131.016 0.300 . 1 . . . . 52 PHE CE1 . 11089 1 561 . 1 1 52 52 PHE CE2 C 13 131.016 0.300 . 1 . . . . 52 PHE CE2 . 11089 1 562 . 1 1 52 52 PHE CZ C 13 130.188 0.300 . 1 . . . . 52 PHE CZ . 11089 1 563 . 1 1 52 52 PHE N N 15 124.912 0.300 . 1 . . . . 52 PHE N . 11089 1 564 . 1 1 53 53 TYR H H 1 7.641 0.030 . 1 . . . . 53 TYR H . 11089 1 565 . 1 1 53 53 TYR HA H 1 5.757 0.030 . 1 . . . . 53 TYR HA . 11089 1 566 . 1 1 53 53 TYR HB2 H 1 1.459 0.030 . 2 . . . . 53 TYR HB2 . 11089 1 567 . 1 1 53 53 TYR HB3 H 1 1.677 0.030 . 2 . . . . 53 TYR HB3 . 11089 1 568 . 1 1 53 53 TYR HD1 H 1 6.273 0.030 . 1 . . . . 53 TYR HD1 . 11089 1 569 . 1 1 53 53 TYR HD2 H 1 6.273 0.030 . 1 . . . . 53 TYR HD2 . 11089 1 570 . 1 1 53 53 TYR HE1 H 1 6.523 0.030 . 1 . . . . 53 TYR HE1 . 11089 1 571 . 1 1 53 53 TYR HE2 H 1 6.523 0.030 . 1 . . . . 53 TYR HE2 . 11089 1 572 . 1 1 53 53 TYR C C 13 173.515 0.300 . 1 . . . . 53 TYR C . 11089 1 573 . 1 1 53 53 TYR CA C 13 54.815 0.300 . 1 . . . . 53 TYR CA . 11089 1 574 . 1 1 53 53 TYR CB C 13 39.467 0.300 . 1 . . . . 53 TYR CB . 11089 1 575 . 1 1 53 53 TYR CD1 C 13 133.554 0.300 . 1 . . . . 53 TYR CD1 . 11089 1 576 . 1 1 53 53 TYR CD2 C 13 133.554 0.300 . 1 . . . . 53 TYR CD2 . 11089 1 577 . 1 1 53 53 TYR CE1 C 13 117.197 0.300 . 1 . . . . 53 TYR CE1 . 11089 1 578 . 1 1 53 53 TYR CE2 C 13 117.197 0.300 . 1 . . . . 53 TYR CE2 . 11089 1 579 . 1 1 53 53 TYR N N 15 114.407 0.300 . 1 . . . . 53 TYR N . 11089 1 580 . 1 1 54 54 TYR H H 1 9.178 0.030 . 1 . . . . 54 TYR H . 11089 1 581 . 1 1 54 54 TYR HA H 1 4.871 0.030 . 1 . . . . 54 TYR HA . 11089 1 582 . 1 1 54 54 TYR HB2 H 1 3.062 0.030 . 2 . . . . 54 TYR HB2 . 11089 1 583 . 1 1 54 54 TYR HB3 H 1 3.499 0.030 . 2 . . . . 54 TYR HB3 . 11089 1 584 . 1 1 54 54 TYR HD1 H 1 7.024 0.030 . 1 . . . . 54 TYR HD1 . 11089 1 585 . 1 1 54 54 TYR HD2 H 1 7.024 0.030 . 1 . . . . 54 TYR HD2 . 11089 1 586 . 1 1 54 54 TYR HE1 H 1 6.487 0.030 . 1 . . . . 54 TYR HE1 . 11089 1 587 . 1 1 54 54 TYR HE2 H 1 6.487 0.030 . 1 . . . . 54 TYR HE2 . 11089 1 588 . 1 1 54 54 TYR C C 13 175.542 0.300 . 1 . . . . 54 TYR C . 11089 1 589 . 1 1 54 54 TYR CA C 13 56.821 0.300 . 1 . . . . 54 TYR CA . 11089 1 590 . 1 1 54 54 TYR CB C 13 44.237 0.300 . 1 . . . . 54 TYR CB . 11089 1 591 . 1 1 54 54 TYR CE1 C 13 118.075 0.300 . 1 . . . . 54 TYR CE1 . 11089 1 592 . 1 1 54 54 TYR CE2 C 13 118.075 0.300 . 1 . . . . 54 TYR CE2 . 11089 1 593 . 1 1 54 54 TYR N N 15 117.625 0.300 . 1 . . . . 54 TYR N . 11089 1 594 . 1 1 55 55 LYS H H 1 9.638 0.030 . 1 . . . . 55 LYS H . 11089 1 595 . 1 1 55 55 LYS HA H 1 4.176 0.030 . 1 . . . . 55 LYS HA . 11089 1 596 . 1 1 55 55 LYS HB2 H 1 2.043 0.030 . 2 . . . . 55 LYS HB2 . 11089 1 597 . 1 1 55 55 LYS HB3 H 1 1.935 0.030 . 2 . . . . 55 LYS HB3 . 11089 1 598 . 1 1 55 55 LYS HD2 H 1 1.849 0.030 . 2 . . . . 55 LYS HD2 . 11089 1 599 . 1 1 55 55 LYS HD3 H 1 1.781 0.030 . 2 . . . . 55 LYS HD3 . 11089 1 600 . 1 1 55 55 LYS HE2 H 1 3.100 0.030 . 1 . . . . 55 LYS HE2 . 11089 1 601 . 1 1 55 55 LYS HE3 H 1 3.100 0.030 . 1 . . . . 55 LYS HE3 . 11089 1 602 . 1 1 55 55 LYS HG2 H 1 1.638 0.030 . 2 . . . . 55 LYS HG2 . 11089 1 603 . 1 1 55 55 LYS HG3 H 1 1.549 0.030 . 2 . . . . 55 LYS HG3 . 11089 1 604 . 1 1 55 55 LYS C C 13 176.196 0.300 . 1 . . . . 55 LYS C . 11089 1 605 . 1 1 55 55 LYS CA C 13 59.847 0.300 . 1 . . . . 55 LYS CA . 11089 1 606 . 1 1 55 55 LYS CB C 13 33.620 0.300 . 1 . . . . 55 LYS CB . 11089 1 607 . 1 1 55 55 LYS CD C 13 29.529 0.300 . 1 . . . . 55 LYS CD . 11089 1 608 . 1 1 55 55 LYS CE C 13 42.214 0.300 . 1 . . . . 55 LYS CE . 11089 1 609 . 1 1 55 55 LYS CG C 13 25.438 0.300 . 1 . . . . 55 LYS CG . 11089 1 610 . 1 1 55 55 LYS N N 15 121.720 0.300 . 1 . . . . 55 LYS N . 11089 1 611 . 1 1 56 56 ASP H H 1 7.752 0.030 . 1 . . . . 56 ASP H . 11089 1 612 . 1 1 56 56 ASP HA H 1 4.695 0.030 . 1 . . . . 56 ASP HA . 11089 1 613 . 1 1 56 56 ASP HB2 H 1 3.214 0.030 . 1 . . . . 56 ASP HB2 . 11089 1 614 . 1 1 56 56 ASP HB3 H 1 3.214 0.030 . 1 . . . . 56 ASP HB3 . 11089 1 615 . 1 1 56 56 ASP C C 13 174.025 0.300 . 1 . . . . 56 ASP C . 11089 1 616 . 1 1 56 56 ASP CA C 13 53.197 0.300 . 1 . . . . 56 ASP CA . 11089 1 617 . 1 1 56 56 ASP CB C 13 41.349 0.300 . 1 . . . . 56 ASP CB . 11089 1 618 . 1 1 56 56 ASP N N 15 110.453 0.300 . 1 . . . . 56 ASP N . 11089 1 619 . 1 1 57 57 GLU H H 1 8.717 0.030 . 1 . . . . 57 GLU H . 11089 1 620 . 1 1 57 57 GLU HA H 1 1.734 0.030 . 1 . . . . 57 GLU HA . 11089 1 621 . 1 1 57 57 GLU HB2 H 1 0.713 0.030 . 2 . . . . 57 GLU HB2 . 11089 1 622 . 1 1 57 57 GLU HB3 H 1 0.571 0.030 . 2 . . . . 57 GLU HB3 . 11089 1 623 . 1 1 57 57 GLU HG2 H 1 1.067 0.030 . 2 . . . . 57 GLU HG2 . 11089 1 624 . 1 1 57 57 GLU HG3 H 1 1.406 0.030 . 2 . . . . 57 GLU HG3 . 11089 1 625 . 1 1 57 57 GLU C C 13 176.953 0.300 . 1 . . . . 57 GLU C . 11089 1 626 . 1 1 57 57 GLU CA C 13 56.785 0.300 . 1 . . . . 57 GLU CA . 11089 1 627 . 1 1 57 57 GLU CB C 13 26.954 0.300 . 1 . . . . 57 GLU CB . 11089 1 628 . 1 1 57 57 GLU CG C 13 35.259 0.300 . 1 . . . . 57 GLU CG . 11089 1 629 . 1 1 57 57 GLU N N 15 115.189 0.300 . 1 . . . . 57 GLU N . 11089 1 630 . 1 1 58 58 LYS H H 1 8.241 0.030 . 1 . . . . 58 LYS H . 11089 1 631 . 1 1 58 58 LYS HA H 1 3.834 0.030 . 1 . . . . 58 LYS HA . 11089 1 632 . 1 1 58 58 LYS HB2 H 1 1.665 0.030 . 2 . . . . 58 LYS HB2 . 11089 1 633 . 1 1 58 58 LYS HB3 H 1 1.879 0.030 . 2 . . . . 58 LYS HB3 . 11089 1 634 . 1 1 58 58 LYS HD2 H 1 1.565 0.030 . 1 . . . . 58 LYS HD2 . 11089 1 635 . 1 1 58 58 LYS HD3 H 1 1.565 0.030 . 1 . . . . 58 LYS HD3 . 11089 1 636 . 1 1 58 58 LYS HE2 H 1 2.888 0.030 . 1 . . . . 58 LYS HE2 . 11089 1 637 . 1 1 58 58 LYS HE3 H 1 2.888 0.030 . 1 . . . . 58 LYS HE3 . 11089 1 638 . 1 1 58 58 LYS HG2 H 1 1.322 0.030 . 2 . . . . 58 LYS HG2 . 11089 1 639 . 1 1 58 58 LYS HG3 H 1 1.235 0.030 . 2 . . . . 58 LYS HG3 . 11089 1 640 . 1 1 58 58 LYS C C 13 177.051 0.300 . 1 . . . . 58 LYS C . 11089 1 641 . 1 1 58 58 LYS CA C 13 57.454 0.300 . 1 . . . . 58 LYS CA . 11089 1 642 . 1 1 58 58 LYS CB C 13 31.112 0.300 . 1 . . . . 58 LYS CB . 11089 1 643 . 1 1 58 58 LYS CD C 13 28.727 0.300 . 1 . . . . 58 LYS CD . 11089 1 644 . 1 1 58 58 LYS CE C 13 42.131 0.300 . 1 . . . . 58 LYS CE . 11089 1 645 . 1 1 58 58 LYS CG C 13 25.520 0.300 . 1 . . . . 58 LYS CG . 11089 1 646 . 1 1 58 58 LYS N N 15 120.816 0.300 . 1 . . . . 58 LYS N . 11089 1 647 . 1 1 59 59 GLU H H 1 7.715 0.030 . 1 . . . . 59 GLU H . 11089 1 648 . 1 1 59 59 GLU HA H 1 2.991 0.030 . 1 . . . . 59 GLU HA . 11089 1 649 . 1 1 59 59 GLU HB2 H 1 1.501 0.030 . 2 . . . . 59 GLU HB2 . 11089 1 650 . 1 1 59 59 GLU HB3 H 1 1.098 0.030 . 2 . . . . 59 GLU HB3 . 11089 1 651 . 1 1 59 59 GLU HG2 H 1 0.841 0.030 . 2 . . . . 59 GLU HG2 . 11089 1 652 . 1 1 59 59 GLU HG3 H 1 1.626 0.030 . 2 . . . . 59 GLU HG3 . 11089 1 653 . 1 1 59 59 GLU C C 13 176.024 0.300 . 1 . . . . 59 GLU C . 11089 1 654 . 1 1 59 59 GLU CA C 13 56.785 0.300 . 1 . . . . 59 GLU CA . 11089 1 655 . 1 1 59 59 GLU CB C 13 26.096 0.300 . 1 . . . . 59 GLU CB . 11089 1 656 . 1 1 59 59 GLU CG C 13 36.122 0.300 . 1 . . . . 59 GLU CG . 11089 1 657 . 1 1 59 59 GLU N N 15 113.320 0.300 . 1 . . . . 59 GLU N . 11089 1 658 . 1 1 60 60 GLU H H 1 8.826 0.030 . 1 . . . . 60 GLU H . 11089 1 659 . 1 1 60 60 GLU HA H 1 3.986 0.030 . 1 . . . . 60 GLU HA . 11089 1 660 . 1 1 60 60 GLU HB2 H 1 2.025 0.030 . 2 . . . . 60 GLU HB2 . 11089 1 661 . 1 1 60 60 GLU HB3 H 1 1.959 0.030 . 2 . . . . 60 GLU HB3 . 11089 1 662 . 1 1 60 60 GLU HG2 H 1 2.207 0.030 . 2 . . . . 60 GLU HG2 . 11089 1 663 . 1 1 60 60 GLU HG3 H 1 2.148 0.030 . 2 . . . . 60 GLU HG3 . 11089 1 664 . 1 1 60 60 GLU C C 13 177.702 0.300 . 1 . . . . 60 GLU C . 11089 1 665 . 1 1 60 60 GLU CA C 13 59.418 0.300 . 1 . . . . 60 GLU CA . 11089 1 666 . 1 1 60 60 GLU CB C 13 30.691 0.300 . 1 . . . . 60 GLU CB . 11089 1 667 . 1 1 60 60 GLU CG C 13 37.362 0.300 . 1 . . . . 60 GLU CG . 11089 1 668 . 1 1 60 60 GLU N N 15 118.101 0.300 . 1 . . . . 60 GLU N . 11089 1 669 . 1 1 61 61 SER H H 1 7.500 0.030 . 1 . . . . 61 SER H . 11089 1 670 . 1 1 61 61 SER HA H 1 4.710 0.030 . 1 . . . . 61 SER HA . 11089 1 671 . 1 1 61 61 SER HB2 H 1 3.764 0.030 . 2 . . . . 61 SER HB2 . 11089 1 672 . 1 1 61 61 SER HB3 H 1 3.714 0.030 . 2 . . . . 61 SER HB3 . 11089 1 673 . 1 1 61 61 SER C C 13 173.539 0.300 . 1 . . . . 61 SER C . 11089 1 674 . 1 1 61 61 SER CA C 13 57.067 0.300 . 1 . . . . 61 SER CA . 11089 1 675 . 1 1 61 61 SER CB C 13 64.478 0.300 . 1 . . . . 61 SER CB . 11089 1 676 . 1 1 61 61 SER N N 15 109.964 0.300 . 1 . . . . 61 SER N . 11089 1 677 . 1 1 62 62 ILE H H 1 8.789 0.030 . 1 . . . . 62 ILE H . 11089 1 678 . 1 1 62 62 ILE HA H 1 3.221 0.030 . 1 . . . . 62 ILE HA . 11089 1 679 . 1 1 62 62 ILE HB H 1 1.599 0.030 . 1 . . . . 62 ILE HB . 11089 1 680 . 1 1 62 62 ILE HD11 H 1 0.821 0.030 . 1 . . . . 62 ILE HD1 . 11089 1 681 . 1 1 62 62 ILE HD12 H 1 0.821 0.030 . 1 . . . . 62 ILE HD1 . 11089 1 682 . 1 1 62 62 ILE HD13 H 1 0.821 0.030 . 1 . . . . 62 ILE HD1 . 11089 1 683 . 1 1 62 62 ILE HG12 H 1 0.663 0.030 . 2 . . . . 62 ILE HG12 . 11089 1 684 . 1 1 62 62 ILE HG13 H 1 1.574 0.030 . 2 . . . . 62 ILE HG13 . 11089 1 685 . 1 1 62 62 ILE HG21 H 1 0.686 0.030 . 1 . . . . 62 ILE HG2 . 11089 1 686 . 1 1 62 62 ILE HG22 H 1 0.686 0.030 . 1 . . . . 62 ILE HG2 . 11089 1 687 . 1 1 62 62 ILE HG23 H 1 0.686 0.030 . 1 . . . . 62 ILE HG2 . 11089 1 688 . 1 1 62 62 ILE C C 13 176.384 0.300 . 1 . . . . 62 ILE C . 11089 1 689 . 1 1 62 62 ILE CA C 13 62.789 0.300 . 1 . . . . 62 ILE CA . 11089 1 690 . 1 1 62 62 ILE CB C 13 38.961 0.300 . 1 . . . . 62 ILE CB . 11089 1 691 . 1 1 62 62 ILE CD1 C 13 14.550 0.300 . 1 . . . . 62 ILE CD1 . 11089 1 692 . 1 1 62 62 ILE CG1 C 13 29.714 0.300 . 1 . . . . 62 ILE CG1 . 11089 1 693 . 1 1 62 62 ILE CG2 C 13 18.186 0.300 . 1 . . . . 62 ILE CG2 . 11089 1 694 . 1 1 62 62 ILE N N 15 127.521 0.300 . 1 . . . . 62 ILE N . 11089 1 695 . 1 1 63 63 LEU H H 1 8.820 0.030 . 1 . . . . 63 LEU H . 11089 1 696 . 1 1 63 63 LEU HA H 1 4.244 0.030 . 1 . . . . 63 LEU HA . 11089 1 697 . 1 1 63 63 LEU HB2 H 1 1.298 0.030 . 1 . . . . 63 LEU HB2 . 11089 1 698 . 1 1 63 63 LEU HB3 H 1 1.298 0.030 . 1 . . . . 63 LEU HB3 . 11089 1 699 . 1 1 63 63 LEU HD11 H 1 0.879 0.030 . 1 . . . . 63 LEU HD1 . 11089 1 700 . 1 1 63 63 LEU HD12 H 1 0.879 0.030 . 1 . . . . 63 LEU HD1 . 11089 1 701 . 1 1 63 63 LEU HD13 H 1 0.879 0.030 . 1 . . . . 63 LEU HD1 . 11089 1 702 . 1 1 63 63 LEU HD21 H 1 0.844 0.030 . 1 . . . . 63 LEU HD2 . 11089 1 703 . 1 1 63 63 LEU HD22 H 1 0.844 0.030 . 1 . . . . 63 LEU HD2 . 11089 1 704 . 1 1 63 63 LEU HD23 H 1 0.844 0.030 . 1 . . . . 63 LEU HD2 . 11089 1 705 . 1 1 63 63 LEU HG H 1 1.744 0.030 . 1 . . . . 63 LEU HG . 11089 1 706 . 1 1 63 63 LEU C C 13 176.973 0.300 . 1 . . . . 63 LEU C . 11089 1 707 . 1 1 63 63 LEU CA C 13 54.991 0.300 . 1 . . . . 63 LEU CA . 11089 1 708 . 1 1 63 63 LEU CB C 13 42.367 0.300 . 1 . . . . 63 LEU CB . 11089 1 709 . 1 1 63 63 LEU CD1 C 13 25.573 0.300 . 2 . . . . 63 LEU CD1 . 11089 1 710 . 1 1 63 63 LEU CD2 C 13 21.984 0.300 . 2 . . . . 63 LEU CD2 . 11089 1 711 . 1 1 63 63 LEU CG C 13 27.312 0.300 . 1 . . . . 63 LEU CG . 11089 1 712 . 1 1 63 63 LEU N N 15 129.494 0.300 . 1 . . . . 63 LEU N . 11089 1 713 . 1 1 64 64 GLY H H 1 6.443 0.030 . 1 . . . . 64 GLY H . 11089 1 714 . 1 1 64 64 GLY HA2 H 1 3.352 0.030 . 2 . . . . 64 GLY HA2 . 11089 1 715 . 1 1 64 64 GLY HA3 H 1 3.730 0.030 . 2 . . . . 64 GLY HA3 . 11089 1 716 . 1 1 64 64 GLY C C 13 169.186 0.300 . 1 . . . . 64 GLY C . 11089 1 717 . 1 1 64 64 GLY CA C 13 44.858 0.300 . 1 . . . . 64 GLY CA . 11089 1 718 . 1 1 64 64 GLY N N 15 105.710 0.300 . 1 . . . . 64 GLY N . 11089 1 719 . 1 1 65 65 SER H H 1 8.004 0.030 . 1 . . . . 65 SER H . 11089 1 720 . 1 1 65 65 SER HA H 1 5.081 0.030 . 1 . . . . 65 SER HA . 11089 1 721 . 1 1 65 65 SER HB2 H 1 3.048 0.030 . 2 . . . . 65 SER HB2 . 11089 1 722 . 1 1 65 65 SER HB3 H 1 3.469 0.030 . 2 . . . . 65 SER HB3 . 11089 1 723 . 1 1 65 65 SER C C 13 173.712 0.300 . 1 . . . . 65 SER C . 11089 1 724 . 1 1 65 65 SER CA C 13 55.835 0.300 . 1 . . . . 65 SER CA . 11089 1 725 . 1 1 65 65 SER CB C 13 66.441 0.300 . 1 . . . . 65 SER CB . 11089 1 726 . 1 1 65 65 SER N N 15 110.924 0.300 . 1 . . . . 65 SER N . 11089 1 727 . 1 1 66 66 ILE H H 1 8.949 0.030 . 1 . . . . 66 ILE H . 11089 1 728 . 1 1 66 66 ILE HA H 1 4.318 0.030 . 1 . . . . 66 ILE HA . 11089 1 729 . 1 1 66 66 ILE HB H 1 1.586 0.030 . 1 . . . . 66 ILE HB . 11089 1 730 . 1 1 66 66 ILE HD11 H 1 0.275 0.030 . 1 . . . . 66 ILE HD1 . 11089 1 731 . 1 1 66 66 ILE HD12 H 1 0.275 0.030 . 1 . . . . 66 ILE HD1 . 11089 1 732 . 1 1 66 66 ILE HD13 H 1 0.275 0.030 . 1 . . . . 66 ILE HD1 . 11089 1 733 . 1 1 66 66 ILE HG12 H 1 0.705 0.030 . 2 . . . . 66 ILE HG12 . 11089 1 734 . 1 1 66 66 ILE HG13 H 1 1.275 0.030 . 2 . . . . 66 ILE HG13 . 11089 1 735 . 1 1 66 66 ILE HG21 H 1 0.191 0.030 . 1 . . . . 66 ILE HG2 . 11089 1 736 . 1 1 66 66 ILE HG22 H 1 0.191 0.030 . 1 . . . . 66 ILE HG2 . 11089 1 737 . 1 1 66 66 ILE HG23 H 1 0.191 0.030 . 1 . . . . 66 ILE HG2 . 11089 1 738 . 1 1 66 66 ILE C C 13 172.724 0.300 . 1 . . . . 66 ILE C . 11089 1 739 . 1 1 66 66 ILE CA C 13 58.545 0.300 . 1 . . . . 66 ILE CA . 11089 1 740 . 1 1 66 66 ILE CB C 13 42.040 0.300 . 1 . . . . 66 ILE CB . 11089 1 741 . 1 1 66 66 ILE CD1 C 13 13.708 0.300 . 1 . . . . 66 ILE CD1 . 11089 1 742 . 1 1 66 66 ILE CG1 C 13 26.655 0.300 . 1 . . . . 66 ILE CG1 . 11089 1 743 . 1 1 66 66 ILE CG2 C 13 17.173 0.300 . 1 . . . . 66 ILE CG2 . 11089 1 744 . 1 1 66 66 ILE N N 15 122.250 0.300 . 1 . . . . 66 ILE N . 11089 1 745 . 1 1 67 67 PRO HA H 1 4.504 0.030 . 1 . . . . 67 PRO HA . 11089 1 746 . 1 1 67 67 PRO HB2 H 1 2.046 0.030 . 2 . . . . 67 PRO HB2 . 11089 1 747 . 1 1 67 67 PRO HB3 H 1 2.270 0.030 . 2 . . . . 67 PRO HB3 . 11089 1 748 . 1 1 67 67 PRO HD2 H 1 3.503 0.030 . 2 . . . . 67 PRO HD2 . 11089 1 749 . 1 1 67 67 PRO HD3 H 1 3.809 0.030 . 2 . . . . 67 PRO HD3 . 11089 1 750 . 1 1 67 67 PRO HG2 H 1 2.228 0.030 . 2 . . . . 67 PRO HG2 . 11089 1 751 . 1 1 67 67 PRO HG3 H 1 1.920 0.030 . 2 . . . . 67 PRO HG3 . 11089 1 752 . 1 1 67 67 PRO CA C 13 62.991 0.300 . 1 . . . . 67 PRO CA . 11089 1 753 . 1 1 67 67 PRO CB C 13 31.685 0.300 . 1 . . . . 67 PRO CB . 11089 1 754 . 1 1 67 67 PRO CD C 13 50.791 0.300 . 1 . . . . 67 PRO CD . 11089 1 755 . 1 1 67 67 PRO CG C 13 27.593 0.300 . 1 . . . . 67 PRO CG . 11089 1 756 . 1 1 68 68 LEU HA H 1 3.829 0.030 . 1 . . . . 68 LEU HA . 11089 1 757 . 1 1 68 68 LEU HB2 H 1 1.370 0.030 . 1 . . . . 68 LEU HB2 . 11089 1 758 . 1 1 68 68 LEU HB3 H 1 1.370 0.030 . 1 . . . . 68 LEU HB3 . 11089 1 759 . 1 1 68 68 LEU HD11 H 1 0.709 0.030 . 1 . . . . 68 LEU HD1 . 11089 1 760 . 1 1 68 68 LEU HD12 H 1 0.709 0.030 . 1 . . . . 68 LEU HD1 . 11089 1 761 . 1 1 68 68 LEU HD13 H 1 0.709 0.030 . 1 . . . . 68 LEU HD1 . 11089 1 762 . 1 1 68 68 LEU HD21 H 1 0.292 0.030 . 1 . . . . 68 LEU HD2 . 11089 1 763 . 1 1 68 68 LEU HD22 H 1 0.292 0.030 . 1 . . . . 68 LEU HD2 . 11089 1 764 . 1 1 68 68 LEU HD23 H 1 0.292 0.030 . 1 . . . . 68 LEU HD2 . 11089 1 765 . 1 1 68 68 LEU HG H 1 1.545 0.030 . 1 . . . . 68 LEU HG . 11089 1 766 . 1 1 68 68 LEU C C 13 176.819 0.300 . 1 . . . . 68 LEU C . 11089 1 767 . 1 1 68 68 LEU CA C 13 55.730 0.300 . 1 . . . . 68 LEU CA . 11089 1 768 . 1 1 68 68 LEU CB C 13 43.365 0.300 . 1 . . . . 68 LEU CB . 11089 1 769 . 1 1 68 68 LEU CD1 C 13 27.165 0.300 . 2 . . . . 68 LEU CD1 . 11089 1 770 . 1 1 68 68 LEU CD2 C 13 22.149 0.300 . 2 . . . . 68 LEU CD2 . 11089 1 771 . 1 1 68 68 LEU CG C 13 26.640 0.300 . 1 . . . . 68 LEU CG . 11089 1 772 . 1 1 69 69 LEU H H 1 7.883 0.030 . 1 . . . . 69 LEU H . 11089 1 773 . 1 1 69 69 LEU HA H 1 4.159 0.030 . 1 . . . . 69 LEU HA . 11089 1 774 . 1 1 69 69 LEU HB2 H 1 1.687 0.030 . 1 . . . . 69 LEU HB2 . 11089 1 775 . 1 1 69 69 LEU HB3 H 1 1.687 0.030 . 1 . . . . 69 LEU HB3 . 11089 1 776 . 1 1 69 69 LEU HD11 H 1 0.948 0.030 . 1 . . . . 69 LEU HD1 . 11089 1 777 . 1 1 69 69 LEU HD12 H 1 0.948 0.030 . 1 . . . . 69 LEU HD1 . 11089 1 778 . 1 1 69 69 LEU HD13 H 1 0.948 0.030 . 1 . . . . 69 LEU HD1 . 11089 1 779 . 1 1 69 69 LEU HD21 H 1 0.957 0.030 . 1 . . . . 69 LEU HD2 . 11089 1 780 . 1 1 69 69 LEU HD22 H 1 0.957 0.030 . 1 . . . . 69 LEU HD2 . 11089 1 781 . 1 1 69 69 LEU HD23 H 1 0.957 0.030 . 1 . . . . 69 LEU HD2 . 11089 1 782 . 1 1 69 69 LEU HG H 1 1.715 0.030 . 1 . . . . 69 LEU HG . 11089 1 783 . 1 1 69 69 LEU C C 13 178.805 0.300 . 1 . . . . 69 LEU C . 11089 1 784 . 1 1 69 69 LEU CA C 13 58.052 0.300 . 1 . . . . 69 LEU CA . 11089 1 785 . 1 1 69 69 LEU CB C 13 41.885 0.300 . 1 . . . . 69 LEU CB . 11089 1 786 . 1 1 69 69 LEU CD1 C 13 25.523 0.300 . 2 . . . . 69 LEU CD1 . 11089 1 787 . 1 1 69 69 LEU CD2 C 13 24.504 0.300 . 2 . . . . 69 LEU CD2 . 11089 1 788 . 1 1 69 69 LEU CG C 13 27.083 0.300 . 1 . . . . 69 LEU CG . 11089 1 789 . 1 1 69 69 LEU N N 15 120.557 0.300 . 1 . . . . 69 LEU N . 11089 1 790 . 1 1 70 70 SER H H 1 9.127 0.030 . 1 . . . . 70 SER H . 11089 1 791 . 1 1 70 70 SER HA H 1 4.139 0.030 . 1 . . . . 70 SER HA . 11089 1 792 . 1 1 70 70 SER HB2 H 1 3.849 0.030 . 2 . . . . 70 SER HB2 . 11089 1 793 . 1 1 70 70 SER HB3 H 1 4.070 0.030 . 2 . . . . 70 SER HB3 . 11089 1 794 . 1 1 70 70 SER C C 13 174.350 0.300 . 1 . . . . 70 SER C . 11089 1 795 . 1 1 70 70 SER CA C 13 61.360 0.300 . 1 . . . . 70 SER CA . 11089 1 796 . 1 1 70 70 SER CB C 13 62.854 0.300 . 1 . . . . 70 SER CB . 11089 1 797 . 1 1 70 70 SER N N 15 116.204 0.300 . 1 . . . . 70 SER N . 11089 1 798 . 1 1 71 71 PHE H H 1 8.704 0.030 . 1 . . . . 71 PHE H . 11089 1 799 . 1 1 71 71 PHE HA H 1 4.556 0.030 . 1 . . . . 71 PHE HA . 11089 1 800 . 1 1 71 71 PHE HB2 H 1 2.482 0.030 . 2 . . . . 71 PHE HB2 . 11089 1 801 . 1 1 71 71 PHE HB3 H 1 3.444 0.030 . 2 . . . . 71 PHE HB3 . 11089 1 802 . 1 1 71 71 PHE HD1 H 1 6.982 0.030 . 1 . . . . 71 PHE HD1 . 11089 1 803 . 1 1 71 71 PHE HD2 H 1 6.982 0.030 . 1 . . . . 71 PHE HD2 . 11089 1 804 . 1 1 71 71 PHE HE1 H 1 7.234 0.030 . 1 . . . . 71 PHE HE1 . 11089 1 805 . 1 1 71 71 PHE HE2 H 1 7.234 0.030 . 1 . . . . 71 PHE HE2 . 11089 1 806 . 1 1 71 71 PHE HZ H 1 7.316 0.030 . 1 . . . . 71 PHE HZ . 11089 1 807 . 1 1 71 71 PHE C C 13 175.306 0.300 . 1 . . . . 71 PHE C . 11089 1 808 . 1 1 71 71 PHE CA C 13 58.932 0.300 . 1 . . . . 71 PHE CA . 11089 1 809 . 1 1 71 71 PHE CB C 13 39.582 0.300 . 1 . . . . 71 PHE CB . 11089 1 810 . 1 1 71 71 PHE CD1 C 13 130.817 0.300 . 1 . . . . 71 PHE CD1 . 11089 1 811 . 1 1 71 71 PHE CD2 C 13 130.817 0.300 . 1 . . . . 71 PHE CD2 . 11089 1 812 . 1 1 71 71 PHE CE1 C 13 131.982 0.300 . 1 . . . . 71 PHE CE1 . 11089 1 813 . 1 1 71 71 PHE CE2 C 13 131.982 0.300 . 1 . . . . 71 PHE CE2 . 11089 1 814 . 1 1 71 71 PHE CZ C 13 129.705 0.300 . 1 . . . . 71 PHE CZ . 11089 1 815 . 1 1 71 71 PHE N N 15 122.423 0.300 . 1 . . . . 71 PHE N . 11089 1 816 . 1 1 72 72 ARG H H 1 9.060 0.030 . 1 . . . . 72 ARG H . 11089 1 817 . 1 1 72 72 ARG HA H 1 4.738 0.030 . 1 . . . . 72 ARG HA . 11089 1 818 . 1 1 72 72 ARG HB2 H 1 1.927 0.030 . 2 . . . . 72 ARG HB2 . 11089 1 819 . 1 1 72 72 ARG HB3 H 1 1.859 0.030 . 2 . . . . 72 ARG HB3 . 11089 1 820 . 1 1 72 72 ARG HD2 H 1 3.243 0.030 . 1 . . . . 72 ARG HD2 . 11089 1 821 . 1 1 72 72 ARG HD3 H 1 3.243 0.030 . 1 . . . . 72 ARG HD3 . 11089 1 822 . 1 1 72 72 ARG HG2 H 1 1.577 0.030 . 2 . . . . 72 ARG HG2 . 11089 1 823 . 1 1 72 72 ARG HG3 H 1 1.747 0.030 . 2 . . . . 72 ARG HG3 . 11089 1 824 . 1 1 72 72 ARG C C 13 176.188 0.300 . 1 . . . . 72 ARG C . 11089 1 825 . 1 1 72 72 ARG CA C 13 55.202 0.300 . 1 . . . . 72 ARG CA . 11089 1 826 . 1 1 72 72 ARG CB C 13 31.852 0.300 . 1 . . . . 72 ARG CB . 11089 1 827 . 1 1 72 72 ARG CD C 13 43.612 0.300 . 1 . . . . 72 ARG CD . 11089 1 828 . 1 1 72 72 ARG CG C 13 27.554 0.300 . 1 . . . . 72 ARG CG . 11089 1 829 . 1 1 72 72 ARG N N 15 120.020 0.300 . 1 . . . . 72 ARG N . 11089 1 830 . 1 1 73 73 VAL H H 1 9.048 0.030 . 1 . . . . 73 VAL H . 11089 1 831 . 1 1 73 73 VAL HA H 1 5.521 0.030 . 1 . . . . 73 VAL HA . 11089 1 832 . 1 1 73 73 VAL HB H 1 1.990 0.030 . 1 . . . . 73 VAL HB . 11089 1 833 . 1 1 73 73 VAL HG11 H 1 1.155 0.030 . 1 . . . . 73 VAL HG1 . 11089 1 834 . 1 1 73 73 VAL HG12 H 1 1.155 0.030 . 1 . . . . 73 VAL HG1 . 11089 1 835 . 1 1 73 73 VAL HG13 H 1 1.155 0.030 . 1 . . . . 73 VAL HG1 . 11089 1 836 . 1 1 73 73 VAL HG21 H 1 0.876 0.030 . 1 . . . . 73 VAL HG2 . 11089 1 837 . 1 1 73 73 VAL HG22 H 1 0.876 0.030 . 1 . . . . 73 VAL HG2 . 11089 1 838 . 1 1 73 73 VAL HG23 H 1 0.876 0.030 . 1 . . . . 73 VAL HG2 . 11089 1 839 . 1 1 73 73 VAL C C 13 175.154 0.300 . 1 . . . . 73 VAL C . 11089 1 840 . 1 1 73 73 VAL CA C 13 60.973 0.300 . 1 . . . . 73 VAL CA . 11089 1 841 . 1 1 73 73 VAL CB C 13 33.003 0.300 . 1 . . . . 73 VAL CB . 11089 1 842 . 1 1 73 73 VAL CG1 C 13 22.434 0.300 . 2 . . . . 73 VAL CG1 . 11089 1 843 . 1 1 73 73 VAL CG2 C 13 20.215 0.300 . 2 . . . . 73 VAL CG2 . 11089 1 844 . 1 1 73 73 VAL N N 15 128.070 0.300 . 1 . . . . 73 VAL N . 11089 1 845 . 1 1 74 74 ALA H H 1 8.891 0.030 . 1 . . . . 74 ALA H . 11089 1 846 . 1 1 74 74 ALA HA H 1 4.710 0.030 . 1 . . . . 74 ALA HA . 11089 1 847 . 1 1 74 74 ALA HB1 H 1 1.464 0.030 . 1 . . . . 74 ALA HB . 11089 1 848 . 1 1 74 74 ALA HB2 H 1 1.464 0.030 . 1 . . . . 74 ALA HB . 11089 1 849 . 1 1 74 74 ALA HB3 H 1 1.464 0.030 . 1 . . . . 74 ALA HB . 11089 1 850 . 1 1 74 74 ALA C C 13 175.572 0.300 . 1 . . . . 74 ALA C . 11089 1 851 . 1 1 74 74 ALA CA C 13 51.472 0.300 . 1 . . . . 74 ALA CA . 11089 1 852 . 1 1 74 74 ALA CB C 13 23.424 0.300 . 1 . . . . 74 ALA CB . 11089 1 853 . 1 1 74 74 ALA N N 15 128.127 0.300 . 1 . . . . 74 ALA N . 11089 1 854 . 1 1 75 75 ALA H H 1 8.910 0.030 . 1 . . . . 75 ALA H . 11089 1 855 . 1 1 75 75 ALA HA H 1 4.462 0.030 . 1 . . . . 75 ALA HA . 11089 1 856 . 1 1 75 75 ALA HB1 H 1 1.538 0.030 . 1 . . . . 75 ALA HB . 11089 1 857 . 1 1 75 75 ALA HB2 H 1 1.538 0.030 . 1 . . . . 75 ALA HB . 11089 1 858 . 1 1 75 75 ALA HB3 H 1 1.538 0.030 . 1 . . . . 75 ALA HB . 11089 1 859 . 1 1 75 75 ALA C C 13 177.657 0.300 . 1 . . . . 75 ALA C . 11089 1 860 . 1 1 75 75 ALA CA C 13 52.985 0.300 . 1 . . . . 75 ALA CA . 11089 1 861 . 1 1 75 75 ALA CB C 13 18.893 0.300 . 1 . . . . 75 ALA CB . 11089 1 862 . 1 1 75 75 ALA N N 15 122.416 0.300 . 1 . . . . 75 ALA N . 11089 1 863 . 1 1 76 76 VAL H H 1 7.568 0.030 . 1 . . . . 76 VAL H . 11089 1 864 . 1 1 76 76 VAL HA H 1 4.314 0.030 . 1 . . . . 76 VAL HA . 11089 1 865 . 1 1 76 76 VAL HB H 1 2.340 0.030 . 1 . . . . 76 VAL HB . 11089 1 866 . 1 1 76 76 VAL HG11 H 1 1.089 0.030 . 1 . . . . 76 VAL HG1 . 11089 1 867 . 1 1 76 76 VAL HG12 H 1 1.089 0.030 . 1 . . . . 76 VAL HG1 . 11089 1 868 . 1 1 76 76 VAL HG13 H 1 1.089 0.030 . 1 . . . . 76 VAL HG1 . 11089 1 869 . 1 1 76 76 VAL HG21 H 1 1.025 0.030 . 1 . . . . 76 VAL HG2 . 11089 1 870 . 1 1 76 76 VAL HG22 H 1 1.025 0.030 . 1 . . . . 76 VAL HG2 . 11089 1 871 . 1 1 76 76 VAL HG23 H 1 1.025 0.030 . 1 . . . . 76 VAL HG2 . 11089 1 872 . 1 1 76 76 VAL C C 13 175.300 0.300 . 1 . . . . 76 VAL C . 11089 1 873 . 1 1 76 76 VAL CA C 13 62.486 0.300 . 1 . . . . 76 VAL CA . 11089 1 874 . 1 1 76 76 VAL CB C 13 32.811 0.300 . 1 . . . . 76 VAL CB . 11089 1 875 . 1 1 76 76 VAL CG1 C 13 22.983 0.300 . 2 . . . . 76 VAL CG1 . 11089 1 876 . 1 1 76 76 VAL CG2 C 13 20.556 0.300 . 2 . . . . 76 VAL CG2 . 11089 1 877 . 1 1 76 76 VAL N N 15 115.278 0.300 . 1 . . . . 76 VAL N . 11089 1 878 . 1 1 77 77 GLN H H 1 9.305 0.030 . 1 . . . . 77 GLN H . 11089 1 879 . 1 1 77 77 GLN HA H 1 4.818 0.030 . 1 . . . . 77 GLN HA . 11089 1 880 . 1 1 77 77 GLN HB2 H 1 2.287 0.030 . 2 . . . . 77 GLN HB2 . 11089 1 881 . 1 1 77 77 GLN HB3 H 1 1.825 0.030 . 2 . . . . 77 GLN HB3 . 11089 1 882 . 1 1 77 77 GLN HE21 H 1 7.616 0.030 . 2 . . . . 77 GLN HE21 . 11089 1 883 . 1 1 77 77 GLN HE22 H 1 6.968 0.030 . 2 . . . . 77 GLN HE22 . 11089 1 884 . 1 1 77 77 GLN HG2 H 1 2.448 0.030 . 1 . . . . 77 GLN HG2 . 11089 1 885 . 1 1 77 77 GLN HG3 H 1 2.448 0.030 . 1 . . . . 77 GLN HG3 . 11089 1 886 . 1 1 77 77 GLN C C 13 176.043 0.300 . 1 . . . . 77 GLN C . 11089 1 887 . 1 1 77 77 GLN CA C 13 53.408 0.300 . 1 . . . . 77 GLN CA . 11089 1 888 . 1 1 77 77 GLN CB C 13 29.852 0.300 . 1 . . . . 77 GLN CB . 11089 1 889 . 1 1 77 77 GLN CG C 13 33.886 0.300 . 1 . . . . 77 GLN CG . 11089 1 890 . 1 1 77 77 GLN N N 15 123.968 0.300 . 1 . . . . 77 GLN N . 11089 1 891 . 1 1 77 77 GLN NE2 N 15 113.438 0.300 . 1 . . . . 77 GLN NE2 . 11089 1 892 . 1 1 78 78 PRO HA H 1 4.350 0.030 . 1 . . . . 78 PRO HA . 11089 1 893 . 1 1 78 78 PRO HB2 H 1 1.972 0.030 . 2 . . . . 78 PRO HB2 . 11089 1 894 . 1 1 78 78 PRO HB3 H 1 2.402 0.030 . 2 . . . . 78 PRO HB3 . 11089 1 895 . 1 1 78 78 PRO HD2 H 1 3.849 0.030 . 2 . . . . 78 PRO HD2 . 11089 1 896 . 1 1 78 78 PRO HD3 H 1 3.921 0.030 . 2 . . . . 78 PRO HD3 . 11089 1 897 . 1 1 78 78 PRO HG2 H 1 2.038 0.030 . 2 . . . . 78 PRO HG2 . 11089 1 898 . 1 1 78 78 PRO HG3 H 1 2.217 0.030 . 2 . . . . 78 PRO HG3 . 11089 1 899 . 1 1 78 78 PRO C C 13 178.264 0.300 . 1 . . . . 78 PRO C . 11089 1 900 . 1 1 78 78 PRO CA C 13 65.863 0.300 . 1 . . . . 78 PRO CA . 11089 1 901 . 1 1 78 78 PRO CB C 13 31.688 0.300 . 1 . . . . 78 PRO CB . 11089 1 902 . 1 1 78 78 PRO CD C 13 50.519 0.300 . 1 . . . . 78 PRO CD . 11089 1 903 . 1 1 78 78 PRO CG C 13 27.905 0.300 . 1 . . . . 78 PRO CG . 11089 1 904 . 1 1 79 79 SER H H 1 8.048 0.030 . 1 . . . . 79 SER H . 11089 1 905 . 1 1 79 79 SER HA H 1 4.237 0.030 . 1 . . . . 79 SER HA . 11089 1 906 . 1 1 79 79 SER HB2 H 1 3.835 0.030 . 2 . . . . 79 SER HB2 . 11089 1 907 . 1 1 79 79 SER HB3 H 1 4.015 0.030 . 2 . . . . 79 SER HB3 . 11089 1 908 . 1 1 79 79 SER C C 13 175.082 0.300 . 1 . . . . 79 SER C . 11089 1 909 . 1 1 79 79 SER CA C 13 59.495 0.300 . 1 . . . . 79 SER CA . 11089 1 910 . 1 1 79 79 SER CB C 13 62.854 0.300 . 1 . . . . 79 SER CB . 11089 1 911 . 1 1 79 79 SER N N 15 110.613 0.300 . 1 . . . . 79 SER N . 11089 1 912 . 1 1 80 80 ASP H H 1 8.172 0.030 . 1 . . . . 80 ASP H . 11089 1 913 . 1 1 80 80 ASP HA H 1 4.551 0.030 . 1 . . . . 80 ASP HA . 11089 1 914 . 1 1 80 80 ASP HB2 H 1 2.877 0.030 . 2 . . . . 80 ASP HB2 . 11089 1 915 . 1 1 80 80 ASP HB3 H 1 2.731 0.030 . 2 . . . . 80 ASP HB3 . 11089 1 916 . 1 1 80 80 ASP C C 13 175.682 0.300 . 1 . . . . 80 ASP C . 11089 1 917 . 1 1 80 80 ASP CA C 13 56.363 0.300 . 1 . . . . 80 ASP CA . 11089 1 918 . 1 1 80 80 ASP CB C 13 41.391 0.300 . 1 . . . . 80 ASP CB . 11089 1 919 . 1 1 80 80 ASP N N 15 120.062 0.300 . 1 . . . . 80 ASP N . 11089 1 920 . 1 1 81 81 ASN H H 1 7.979 0.030 . 1 . . . . 81 ASN H . 11089 1 921 . 1 1 81 81 ASN HA H 1 4.352 0.030 . 1 . . . . 81 ASN HA . 11089 1 922 . 1 1 81 81 ASN HB2 H 1 2.632 0.030 . 2 . . . . 81 ASN HB2 . 11089 1 923 . 1 1 81 81 ASN HB3 H 1 2.947 0.030 . 2 . . . . 81 ASN HB3 . 11089 1 924 . 1 1 81 81 ASN HD21 H 1 7.459 0.030 . 2 . . . . 81 ASN HD21 . 11089 1 925 . 1 1 81 81 ASN HD22 H 1 6.727 0.030 . 2 . . . . 81 ASN HD22 . 11089 1 926 . 1 1 81 81 ASN C C 13 173.974 0.300 . 1 . . . . 81 ASN C . 11089 1 927 . 1 1 81 81 ASN CA C 13 54.217 0.300 . 1 . . . . 81 ASN CA . 11089 1 928 . 1 1 81 81 ASN CB C 13 37.467 0.300 . 1 . . . . 81 ASN CB . 11089 1 929 . 1 1 81 81 ASN N N 15 114.425 0.300 . 1 . . . . 81 ASN N . 11089 1 930 . 1 1 81 81 ASN ND2 N 15 112.632 0.300 . 1 . . . . 81 ASN ND2 . 11089 1 931 . 1 1 82 82 ILE H H 1 8.410 0.030 . 1 . . . . 82 ILE H . 11089 1 932 . 1 1 82 82 ILE HA H 1 4.270 0.030 . 1 . . . . 82 ILE HA . 11089 1 933 . 1 1 82 82 ILE HB H 1 1.759 0.030 . 1 . . . . 82 ILE HB . 11089 1 934 . 1 1 82 82 ILE HD11 H 1 0.254 0.030 . 1 . . . . 82 ILE HD1 . 11089 1 935 . 1 1 82 82 ILE HD12 H 1 0.254 0.030 . 1 . . . . 82 ILE HD1 . 11089 1 936 . 1 1 82 82 ILE HD13 H 1 0.254 0.030 . 1 . . . . 82 ILE HD1 . 11089 1 937 . 1 1 82 82 ILE HG12 H 1 1.039 0.030 . 2 . . . . 82 ILE HG12 . 11089 1 938 . 1 1 82 82 ILE HG13 H 1 1.011 0.030 . 2 . . . . 82 ILE HG13 . 11089 1 939 . 1 1 82 82 ILE HG21 H 1 0.994 0.030 . 1 . . . . 82 ILE HG2 . 11089 1 940 . 1 1 82 82 ILE HG22 H 1 0.994 0.030 . 1 . . . . 82 ILE HG2 . 11089 1 941 . 1 1 82 82 ILE HG23 H 1 0.994 0.030 . 1 . . . . 82 ILE HG2 . 11089 1 942 . 1 1 82 82 ILE C C 13 175.898 0.300 . 1 . . . . 82 ILE C . 11089 1 943 . 1 1 82 82 ILE CA C 13 59.284 0.300 . 1 . . . . 82 ILE CA . 11089 1 944 . 1 1 82 82 ILE CB C 13 39.006 0.300 . 1 . . . . 82 ILE CB . 11089 1 945 . 1 1 82 82 ILE CD1 C 13 11.196 0.300 . 1 . . . . 82 ILE CD1 . 11089 1 946 . 1 1 82 82 ILE CG1 C 13 26.655 0.300 . 1 . . . . 82 ILE CG1 . 11089 1 947 . 1 1 82 82 ILE CG2 C 13 18.221 0.300 . 1 . . . . 82 ILE CG2 . 11089 1 948 . 1 1 82 82 ILE N N 15 119.654 0.300 . 1 . . . . 82 ILE N . 11089 1 949 . 1 1 83 83 SER HA H 1 4.368 0.030 . 1 . . . . 83 SER HA . 11089 1 950 . 1 1 83 83 SER HB2 H 1 3.758 0.030 . 1 . . . . 83 SER HB2 . 11089 1 951 . 1 1 83 83 SER HB3 H 1 3.758 0.030 . 1 . . . . 83 SER HB3 . 11089 1 952 . 1 1 83 83 SER C C 13 174.155 0.300 . 1 . . . . 83 SER C . 11089 1 953 . 1 1 83 83 SER CA C 13 58.334 0.300 . 1 . . . . 83 SER CA . 11089 1 954 . 1 1 83 83 SER CB C 13 63.660 0.300 . 1 . . . . 83 SER CB . 11089 1 955 . 1 1 84 84 ARG H H 1 6.966 0.030 . 1 . . . . 84 ARG H . 11089 1 956 . 1 1 84 84 ARG HA H 1 3.854 0.030 . 1 . . . . 84 ARG HA . 11089 1 957 . 1 1 84 84 ARG HB2 H 1 1.032 0.030 . 1 . . . . 84 ARG HB2 . 11089 1 958 . 1 1 84 84 ARG HB3 H 1 1.032 0.030 . 1 . . . . 84 ARG HB3 . 11089 1 959 . 1 1 84 84 ARG HD2 H 1 0.877 0.030 . 2 . . . . 84 ARG HD2 . 11089 1 960 . 1 1 84 84 ARG HD3 H 1 1.220 0.030 . 2 . . . . 84 ARG HD3 . 11089 1 961 . 1 1 84 84 ARG HE H 1 5.795 0.030 . 1 . . . . 84 ARG HE . 11089 1 962 . 1 1 84 84 ARG HG2 H 1 0.832 0.030 . 2 . . . . 84 ARG HG2 . 11089 1 963 . 1 1 84 84 ARG HG3 H 1 0.718 0.030 . 2 . . . . 84 ARG HG3 . 11089 1 964 . 1 1 84 84 ARG C C 13 176.163 0.300 . 1 . . . . 84 ARG C . 11089 1 965 . 1 1 84 84 ARG CA C 13 56.276 0.300 . 1 . . . . 84 ARG CA . 11089 1 966 . 1 1 84 84 ARG CB C 13 30.306 0.300 . 1 . . . . 84 ARG CB . 11089 1 967 . 1 1 84 84 ARG CD C 13 41.161 0.300 . 1 . . . . 84 ARG CD . 11089 1 968 . 1 1 84 84 ARG CG C 13 27.329 0.300 . 1 . . . . 84 ARG CG . 11089 1 969 . 1 1 84 84 ARG N N 15 123.811 0.300 . 1 . . . . 84 ARG N . 11089 1 970 . 1 1 84 84 ARG NE N 15 82.783 0.300 . 1 . . . . 84 ARG NE . 11089 1 971 . 1 1 85 85 LYS H H 1 8.274 0.030 . 1 . . . . 85 LYS H . 11089 1 972 . 1 1 85 85 LYS HA H 1 3.870 0.030 . 1 . . . . 85 LYS HA . 11089 1 973 . 1 1 85 85 LYS HB2 H 1 0.515 0.030 . 2 . . . . 85 LYS HB2 . 11089 1 974 . 1 1 85 85 LYS HB3 H 1 1.049 0.030 . 2 . . . . 85 LYS HB3 . 11089 1 975 . 1 1 85 85 LYS HD2 H 1 1.448 0.030 . 1 . . . . 85 LYS HD2 . 11089 1 976 . 1 1 85 85 LYS HD3 H 1 1.448 0.030 . 1 . . . . 85 LYS HD3 . 11089 1 977 . 1 1 85 85 LYS HE2 H 1 2.874 0.030 . 1 . . . . 85 LYS HE2 . 11089 1 978 . 1 1 85 85 LYS HE3 H 1 2.874 0.030 . 1 . . . . 85 LYS HE3 . 11089 1 979 . 1 1 85 85 LYS HG2 H 1 1.100 0.030 . 2 . . . . 85 LYS HG2 . 11089 1 980 . 1 1 85 85 LYS HG3 H 1 1.209 0.030 . 2 . . . . 85 LYS HG3 . 11089 1 981 . 1 1 85 85 LYS C C 13 175.903 0.300 . 1 . . . . 85 LYS C . 11089 1 982 . 1 1 85 85 LYS CA C 13 56.680 0.300 . 1 . . . . 85 LYS CA . 11089 1 983 . 1 1 85 85 LYS CB C 13 32.428 0.300 . 1 . . . . 85 LYS CB . 11089 1 984 . 1 1 85 85 LYS CD C 13 28.941 0.300 . 1 . . . . 85 LYS CD . 11089 1 985 . 1 1 85 85 LYS CE C 13 41.885 0.300 . 1 . . . . 85 LYS CE . 11089 1 986 . 1 1 85 85 LYS CG C 13 25.036 0.300 . 1 . . . . 85 LYS CG . 11089 1 987 . 1 1 85 85 LYS N N 15 126.515 0.300 . 1 . . . . 85 LYS N . 11089 1 988 . 1 1 86 86 HIS H H 1 8.554 0.030 . 1 . . . . 86 HIS H . 11089 1 989 . 1 1 86 86 HIS HA H 1 4.370 0.030 . 1 . . . . 86 HIS HA . 11089 1 990 . 1 1 86 86 HIS HB2 H 1 3.793 0.030 . 2 . . . . 86 HIS HB2 . 11089 1 991 . 1 1 86 86 HIS HB3 H 1 2.671 0.030 . 2 . . . . 86 HIS HB3 . 11089 1 992 . 1 1 86 86 HIS HD2 H 1 6.656 0.030 . 1 . . . . 86 HIS HD2 . 11089 1 993 . 1 1 86 86 HIS HE1 H 1 7.784 0.030 . 1 . . . . 86 HIS HE1 . 11089 1 994 . 1 1 86 86 HIS C C 13 176.266 0.300 . 1 . . . . 86 HIS C . 11089 1 995 . 1 1 86 86 HIS CA C 13 55.026 0.300 . 1 . . . . 86 HIS CA . 11089 1 996 . 1 1 86 86 HIS CB C 13 27.186 0.300 . 1 . . . . 86 HIS CB . 11089 1 997 . 1 1 86 86 HIS CE1 C 13 137.978 0.300 . 1 . . . . 86 HIS CE1 . 11089 1 998 . 1 1 86 86 HIS N N 15 115.817 0.300 . 1 . . . . 86 HIS N . 11089 1 999 . 1 1 87 87 THR H H 1 8.212 0.030 . 1 . . . . 87 THR H . 11089 1 1000 . 1 1 87 87 THR HA H 1 5.526 0.030 . 1 . . . . 87 THR HA . 11089 1 1001 . 1 1 87 87 THR HB H 1 3.991 0.030 . 1 . . . . 87 THR HB . 11089 1 1002 . 1 1 87 87 THR HG21 H 1 1.356 0.030 . 1 . . . . 87 THR HG2 . 11089 1 1003 . 1 1 87 87 THR HG22 H 1 1.356 0.030 . 1 . . . . 87 THR HG2 . 11089 1 1004 . 1 1 87 87 THR HG23 H 1 1.356 0.030 . 1 . . . . 87 THR HG2 . 11089 1 1005 . 1 1 87 87 THR C C 13 174.960 0.300 . 1 . . . . 87 THR C . 11089 1 1006 . 1 1 87 87 THR CA C 13 62.098 0.300 . 1 . . . . 87 THR CA . 11089 1 1007 . 1 1 87 87 THR CB C 13 69.490 0.300 . 1 . . . . 87 THR CB . 11089 1 1008 . 1 1 87 87 THR CG2 C 13 23.300 0.300 . 1 . . . . 87 THR CG2 . 11089 1 1009 . 1 1 87 87 THR N N 15 114.408 0.300 . 1 . . . . 87 THR N . 11089 1 1010 . 1 1 88 88 PHE H H 1 9.748 0.030 . 1 . . . . 88 PHE H . 11089 1 1011 . 1 1 88 88 PHE HA H 1 5.282 0.030 . 1 . . . . 88 PHE HA . 11089 1 1012 . 1 1 88 88 PHE HB2 H 1 3.084 0.030 . 1 . . . . 88 PHE HB2 . 11089 1 1013 . 1 1 88 88 PHE HB3 H 1 3.084 0.030 . 1 . . . . 88 PHE HB3 . 11089 1 1014 . 1 1 88 88 PHE HD1 H 1 7.072 0.030 . 1 . . . . 88 PHE HD1 . 11089 1 1015 . 1 1 88 88 PHE HD2 H 1 7.072 0.030 . 1 . . . . 88 PHE HD2 . 11089 1 1016 . 1 1 88 88 PHE HE1 H 1 6.982 0.030 . 1 . . . . 88 PHE HE1 . 11089 1 1017 . 1 1 88 88 PHE HE2 H 1 6.982 0.030 . 1 . . . . 88 PHE HE2 . 11089 1 1018 . 1 1 88 88 PHE HZ H 1 6.494 0.030 . 1 . . . . 88 PHE HZ . 11089 1 1019 . 1 1 88 88 PHE C C 13 170.775 0.300 . 1 . . . . 88 PHE C . 11089 1 1020 . 1 1 88 88 PHE CA C 13 56.028 0.300 . 1 . . . . 88 PHE CA . 11089 1 1021 . 1 1 88 88 PHE CB C 13 41.638 0.300 . 1 . . . . 88 PHE CB . 11089 1 1022 . 1 1 88 88 PHE CD1 C 13 132.972 0.300 . 1 . . . . 88 PHE CD1 . 11089 1 1023 . 1 1 88 88 PHE CD2 C 13 132.972 0.300 . 1 . . . . 88 PHE CD2 . 11089 1 1024 . 1 1 88 88 PHE CE1 C 13 130.451 0.300 . 1 . . . . 88 PHE CE1 . 11089 1 1025 . 1 1 88 88 PHE CE2 C 13 130.451 0.300 . 1 . . . . 88 PHE CE2 . 11089 1 1026 . 1 1 88 88 PHE CZ C 13 130.441 0.300 . 1 . . . . 88 PHE CZ . 11089 1 1027 . 1 1 88 88 PHE N N 15 123.664 0.300 . 1 . . . . 88 PHE N . 11089 1 1028 . 1 1 89 89 LYS H H 1 9.544 0.030 . 1 . . . . 89 LYS H . 11089 1 1029 . 1 1 89 89 LYS HA H 1 5.553 0.030 . 1 . . . . 89 LYS HA . 11089 1 1030 . 1 1 89 89 LYS HB2 H 1 1.429 0.030 . 2 . . . . 89 LYS HB2 . 11089 1 1031 . 1 1 89 89 LYS HB3 H 1 1.179 0.030 . 2 . . . . 89 LYS HB3 . 11089 1 1032 . 1 1 89 89 LYS HD2 H 1 1.567 0.030 . 2 . . . . 89 LYS HD2 . 11089 1 1033 . 1 1 89 89 LYS HD3 H 1 1.425 0.030 . 2 . . . . 89 LYS HD3 . 11089 1 1034 . 1 1 89 89 LYS HE2 H 1 2.961 0.030 . 2 . . . . 89 LYS HE2 . 11089 1 1035 . 1 1 89 89 LYS HE3 H 1 2.794 0.030 . 2 . . . . 89 LYS HE3 . 11089 1 1036 . 1 1 89 89 LYS HG2 H 1 1.098 0.030 . 1 . . . . 89 LYS HG2 . 11089 1 1037 . 1 1 89 89 LYS HG3 H 1 1.098 0.030 . 1 . . . . 89 LYS HG3 . 11089 1 1038 . 1 1 89 89 LYS C C 13 173.578 0.300 . 1 . . . . 89 LYS C . 11089 1 1039 . 1 1 89 89 LYS CA C 13 53.197 0.300 . 1 . . . . 89 LYS CA . 11089 1 1040 . 1 1 89 89 LYS CB C 13 37.444 0.300 . 1 . . . . 89 LYS CB . 11089 1 1041 . 1 1 89 89 LYS CD C 13 30.639 0.300 . 1 . . . . 89 LYS CD . 11089 1 1042 . 1 1 89 89 LYS CE C 13 42.296 0.300 . 1 . . . . 89 LYS CE . 11089 1 1043 . 1 1 89 89 LYS CG C 13 23.198 0.300 . 1 . . . . 89 LYS CG . 11089 1 1044 . 1 1 89 89 LYS N N 15 117.529 0.300 . 1 . . . . 89 LYS N . 11089 1 1045 . 1 1 90 90 ALA H H 1 8.701 0.030 . 1 . . . . 90 ALA H . 11089 1 1046 . 1 1 90 90 ALA HA H 1 5.393 0.030 . 1 . . . . 90 ALA HA . 11089 1 1047 . 1 1 90 90 ALA HB1 H 1 1.376 0.030 . 1 . . . . 90 ALA HB . 11089 1 1048 . 1 1 90 90 ALA HB2 H 1 1.376 0.030 . 1 . . . . 90 ALA HB . 11089 1 1049 . 1 1 90 90 ALA HB3 H 1 1.376 0.030 . 1 . . . . 90 ALA HB . 11089 1 1050 . 1 1 90 90 ALA C C 13 175.088 0.300 . 1 . . . . 90 ALA C . 11089 1 1051 . 1 1 90 90 ALA CA C 13 50.382 0.300 . 1 . . . . 90 ALA CA . 11089 1 1052 . 1 1 90 90 ALA CB C 13 20.997 0.300 . 1 . . . . 90 ALA CB . 11089 1 1053 . 1 1 90 90 ALA N N 15 122.578 0.300 . 1 . . . . 90 ALA N . 11089 1 1054 . 1 1 91 91 GLU H H 1 9.438 0.030 . 1 . . . . 91 GLU H . 11089 1 1055 . 1 1 91 91 GLU HA H 1 4.926 0.030 . 1 . . . . 91 GLU HA . 11089 1 1056 . 1 1 91 91 GLU HB2 H 1 2.045 0.030 . 2 . . . . 91 GLU HB2 . 11089 1 1057 . 1 1 91 91 GLU HB3 H 1 1.833 0.030 . 2 . . . . 91 GLU HB3 . 11089 1 1058 . 1 1 91 91 GLU HG2 H 1 2.142 0.030 . 2 . . . . 91 GLU HG2 . 11089 1 1059 . 1 1 91 91 GLU HG3 H 1 2.003 0.030 . 2 . . . . 91 GLU HG3 . 11089 1 1060 . 1 1 91 91 GLU C C 13 174.299 0.300 . 1 . . . . 91 GLU C . 11089 1 1061 . 1 1 91 91 GLU CA C 13 54.745 0.300 . 1 . . . . 91 GLU CA . 11089 1 1062 . 1 1 91 91 GLU CB C 13 34.598 0.300 . 1 . . . . 91 GLU CB . 11089 1 1063 . 1 1 91 91 GLU CG C 13 36.018 0.300 . 1 . . . . 91 GLU CG . 11089 1 1064 . 1 1 91 91 GLU N N 15 123.955 0.300 . 1 . . . . 91 GLU N . 11089 1 1065 . 1 1 92 92 HIS H H 1 8.772 0.030 . 1 . . . . 92 HIS H . 11089 1 1066 . 1 1 92 92 HIS HA H 1 4.450 0.030 . 1 . . . . 92 HIS HA . 11089 1 1067 . 1 1 92 92 HIS HB2 H 1 2.424 0.030 . 2 . . . . 92 HIS HB2 . 11089 1 1068 . 1 1 92 92 HIS HB3 H 1 1.295 0.030 . 2 . . . . 92 HIS HB3 . 11089 1 1069 . 1 1 92 92 HIS HD2 H 1 6.677 0.030 . 1 . . . . 92 HIS HD2 . 11089 1 1070 . 1 1 92 92 HIS HE1 H 1 7.859 0.030 . 1 . . . . 92 HIS HE1 . 11089 1 1071 . 1 1 92 92 HIS C C 13 174.530 0.300 . 1 . . . . 92 HIS C . 11089 1 1072 . 1 1 92 92 HIS CA C 13 54.006 0.300 . 1 . . . . 92 HIS CA . 11089 1 1073 . 1 1 92 92 HIS CB C 13 30.490 0.300 . 1 . . . . 92 HIS CB . 11089 1 1074 . 1 1 92 92 HIS CD2 C 13 118.909 0.300 . 1 . . . . 92 HIS CD2 . 11089 1 1075 . 1 1 92 92 HIS CE1 C 13 138.101 0.300 . 1 . . . . 92 HIS CE1 . 11089 1 1076 . 1 1 92 92 HIS N N 15 127.271 0.300 . 1 . . . . 92 HIS N . 11089 1 1077 . 1 1 93 93 ALA H H 1 8.715 0.030 . 1 . . . . 93 ALA H . 11089 1 1078 . 1 1 93 93 ALA HA H 1 4.011 0.030 . 1 . . . . 93 ALA HA . 11089 1 1079 . 1 1 93 93 ALA HB1 H 1 1.297 0.030 . 1 . . . . 93 ALA HB . 11089 1 1080 . 1 1 93 93 ALA HB2 H 1 1.297 0.030 . 1 . . . . 93 ALA HB . 11089 1 1081 . 1 1 93 93 ALA HB3 H 1 1.297 0.030 . 1 . . . . 93 ALA HB . 11089 1 1082 . 1 1 93 93 ALA C C 13 178.490 0.300 . 1 . . . . 93 ALA C . 11089 1 1083 . 1 1 93 93 ALA CA C 13 54.534 0.300 . 1 . . . . 93 ALA CA . 11089 1 1084 . 1 1 93 93 ALA CB C 13 17.987 0.300 . 1 . . . . 93 ALA CB . 11089 1 1085 . 1 1 93 93 ALA N N 15 129.680 0.300 . 1 . . . . 93 ALA N . 11089 1 1086 . 1 1 94 94 GLY H H 1 9.075 0.030 . 1 . . . . 94 GLY H . 11089 1 1087 . 1 1 94 94 GLY HA2 H 1 3.701 0.030 . 2 . . . . 94 GLY HA2 . 11089 1 1088 . 1 1 94 94 GLY HA3 H 1 4.046 0.030 . 2 . . . . 94 GLY HA3 . 11089 1 1089 . 1 1 94 94 GLY C C 13 173.675 0.300 . 1 . . . . 94 GLY C . 11089 1 1090 . 1 1 94 94 GLY CA C 13 45.350 0.300 . 1 . . . . 94 GLY CA . 11089 1 1091 . 1 1 94 94 GLY N N 15 111.081 0.300 . 1 . . . . 94 GLY N . 11089 1 1092 . 1 1 95 95 VAL H H 1 8.102 0.030 . 1 . . . . 95 VAL H . 11089 1 1093 . 1 1 95 95 VAL HA H 1 4.091 0.030 . 1 . . . . 95 VAL HA . 11089 1 1094 . 1 1 95 95 VAL HB H 1 1.421 0.030 . 1 . . . . 95 VAL HB . 11089 1 1095 . 1 1 95 95 VAL HG11 H 1 0.418 0.030 . 1 . . . . 95 VAL HG1 . 11089 1 1096 . 1 1 95 95 VAL HG12 H 1 0.418 0.030 . 1 . . . . 95 VAL HG1 . 11089 1 1097 . 1 1 95 95 VAL HG13 H 1 0.418 0.030 . 1 . . . . 95 VAL HG1 . 11089 1 1098 . 1 1 95 95 VAL HG21 H 1 0.862 0.030 . 1 . . . . 95 VAL HG2 . 11089 1 1099 . 1 1 95 95 VAL HG22 H 1 0.862 0.030 . 1 . . . . 95 VAL HG2 . 11089 1 1100 . 1 1 95 95 VAL HG23 H 1 0.862 0.030 . 1 . . . . 95 VAL HG2 . 11089 1 1101 . 1 1 95 95 VAL C C 13 175.293 0.300 . 1 . . . . 95 VAL C . 11089 1 1102 . 1 1 95 95 VAL CA C 13 63.048 0.300 . 1 . . . . 95 VAL CA . 11089 1 1103 . 1 1 95 95 VAL CB C 13 34.501 0.300 . 1 . . . . 95 VAL CB . 11089 1 1104 . 1 1 95 95 VAL CG1 C 13 20.154 0.300 . 2 . . . . 95 VAL CG1 . 11089 1 1105 . 1 1 95 95 VAL CG2 C 13 21.010 0.300 . 2 . . . . 95 VAL CG2 . 11089 1 1106 . 1 1 95 95 VAL N N 15 120.086 0.300 . 1 . . . . 95 VAL N . 11089 1 1107 . 1 1 96 96 ARG H H 1 8.167 0.030 . 1 . . . . 96 ARG H . 11089 1 1108 . 1 1 96 96 ARG HA H 1 4.319 0.030 . 1 . . . . 96 ARG HA . 11089 1 1109 . 1 1 96 96 ARG HB2 H 1 1.738 0.030 . 2 . . . . 96 ARG HB2 . 11089 1 1110 . 1 1 96 96 ARG HB3 H 1 1.700 0.030 . 2 . . . . 96 ARG HB3 . 11089 1 1111 . 1 1 96 96 ARG HD2 H 1 3.111 0.030 . 1 . . . . 96 ARG HD2 . 11089 1 1112 . 1 1 96 96 ARG HD3 H 1 3.111 0.030 . 1 . . . . 96 ARG HD3 . 11089 1 1113 . 1 1 96 96 ARG HG2 H 1 1.391 0.030 . 2 . . . . 96 ARG HG2 . 11089 1 1114 . 1 1 96 96 ARG HG3 H 1 1.303 0.030 . 2 . . . . 96 ARG HG3 . 11089 1 1115 . 1 1 96 96 ARG C C 13 173.910 0.300 . 1 . . . . 96 ARG C . 11089 1 1116 . 1 1 96 96 ARG CA C 13 56.335 0.300 . 1 . . . . 96 ARG CA . 11089 1 1117 . 1 1 96 96 ARG CB C 13 31.688 0.300 . 1 . . . . 96 ARG CB . 11089 1 1118 . 1 1 96 96 ARG CD C 13 43.214 0.300 . 1 . . . . 96 ARG CD . 11089 1 1119 . 1 1 96 96 ARG CG C 13 26.566 0.300 . 1 . . . . 96 ARG CG . 11089 1 1120 . 1 1 96 96 ARG N N 15 120.912 0.300 . 1 . . . . 96 ARG N . 11089 1 1121 . 1 1 97 97 THR H H 1 8.223 0.030 . 1 . . . . 97 THR H . 11089 1 1122 . 1 1 97 97 THR HA H 1 4.499 0.030 . 1 . . . . 97 THR HA . 11089 1 1123 . 1 1 97 97 THR HB H 1 3.626 0.030 . 1 . . . . 97 THR HB . 11089 1 1124 . 1 1 97 97 THR HG21 H 1 0.434 0.030 . 1 . . . . 97 THR HG2 . 11089 1 1125 . 1 1 97 97 THR HG22 H 1 0.434 0.030 . 1 . . . . 97 THR HG2 . 11089 1 1126 . 1 1 97 97 THR HG23 H 1 0.434 0.030 . 1 . . . . 97 THR HG2 . 11089 1 1127 . 1 1 97 97 THR C C 13 172.906 0.300 . 1 . . . . 97 THR C . 11089 1 1128 . 1 1 97 97 THR CA C 13 62.521 0.300 . 1 . . . . 97 THR CA . 11089 1 1129 . 1 1 97 97 THR CB C 13 70.367 0.300 . 1 . . . . 97 THR CB . 11089 1 1130 . 1 1 97 97 THR CG2 C 13 23.711 0.300 . 1 . . . . 97 THR CG2 . 11089 1 1131 . 1 1 97 97 THR N N 15 119.885 0.300 . 1 . . . . 97 THR N . 11089 1 1132 . 1 1 98 98 TYR H H 1 8.509 0.030 . 1 . . . . 98 TYR H . 11089 1 1133 . 1 1 98 98 TYR HA H 1 4.374 0.030 . 1 . . . . 98 TYR HA . 11089 1 1134 . 1 1 98 98 TYR HB2 H 1 2.188 0.030 . 2 . . . . 98 TYR HB2 . 11089 1 1135 . 1 1 98 98 TYR HB3 H 1 2.468 0.030 . 2 . . . . 98 TYR HB3 . 11089 1 1136 . 1 1 98 98 TYR HD1 H 1 6.968 0.030 . 1 . . . . 98 TYR HD1 . 11089 1 1137 . 1 1 98 98 TYR HD2 H 1 6.968 0.030 . 1 . . . . 98 TYR HD2 . 11089 1 1138 . 1 1 98 98 TYR HE1 H 1 6.800 0.030 . 1 . . . . 98 TYR HE1 . 11089 1 1139 . 1 1 98 98 TYR HE2 H 1 6.800 0.030 . 1 . . . . 98 TYR HE2 . 11089 1 1140 . 1 1 98 98 TYR C C 13 173.556 0.300 . 1 . . . . 98 TYR C . 11089 1 1141 . 1 1 98 98 TYR CA C 13 56.739 0.300 . 1 . . . . 98 TYR CA . 11089 1 1142 . 1 1 98 98 TYR CB C 13 41.889 0.300 . 1 . . . . 98 TYR CB . 11089 1 1143 . 1 1 98 98 TYR CD1 C 13 132.912 0.300 . 1 . . . . 98 TYR CD1 . 11089 1 1144 . 1 1 98 98 TYR CD2 C 13 132.912 0.300 . 1 . . . . 98 TYR CD2 . 11089 1 1145 . 1 1 98 98 TYR CE1 C 13 118.332 0.300 . 1 . . . . 98 TYR CE1 . 11089 1 1146 . 1 1 98 98 TYR CE2 C 13 118.332 0.300 . 1 . . . . 98 TYR CE2 . 11089 1 1147 . 1 1 98 98 TYR N N 15 125.248 0.300 . 1 . . . . 98 TYR N . 11089 1 1148 . 1 1 99 99 PHE H H 1 8.229 0.030 . 1 . . . . 99 PHE H . 11089 1 1149 . 1 1 99 99 PHE HA H 1 4.887 0.030 . 1 . . . . 99 PHE HA . 11089 1 1150 . 1 1 99 99 PHE HB2 H 1 2.387 0.030 . 2 . . . . 99 PHE HB2 . 11089 1 1151 . 1 1 99 99 PHE HB3 H 1 2.736 0.030 . 2 . . . . 99 PHE HB3 . 11089 1 1152 . 1 1 99 99 PHE HD1 H 1 6.911 0.030 . 1 . . . . 99 PHE HD1 . 11089 1 1153 . 1 1 99 99 PHE HD2 H 1 6.911 0.030 . 1 . . . . 99 PHE HD2 . 11089 1 1154 . 1 1 99 99 PHE HE1 H 1 7.126 0.030 . 1 . . . . 99 PHE HE1 . 11089 1 1155 . 1 1 99 99 PHE HE2 H 1 7.126 0.030 . 1 . . . . 99 PHE HE2 . 11089 1 1156 . 1 1 99 99 PHE HZ H 1 7.275 0.030 . 1 . . . . 99 PHE HZ . 11089 1 1157 . 1 1 99 99 PHE C C 13 173.744 0.300 . 1 . . . . 99 PHE C . 11089 1 1158 . 1 1 99 99 PHE CA C 13 57.313 0.300 . 1 . . . . 99 PHE CA . 11089 1 1159 . 1 1 99 99 PHE CB C 13 42.687 0.300 . 1 . . . . 99 PHE CB . 11089 1 1160 . 1 1 99 99 PHE CD1 C 13 131.765 0.300 . 1 . . . . 99 PHE CD1 . 11089 1 1161 . 1 1 99 99 PHE CD2 C 13 131.765 0.300 . 1 . . . . 99 PHE CD2 . 11089 1 1162 . 1 1 99 99 PHE CE1 C 13 131.066 0.300 . 1 . . . . 99 PHE CE1 . 11089 1 1163 . 1 1 99 99 PHE CE2 C 13 131.066 0.300 . 1 . . . . 99 PHE CE2 . 11089 1 1164 . 1 1 99 99 PHE CZ C 13 129.719 0.300 . 1 . . . . 99 PHE CZ . 11089 1 1165 . 1 1 99 99 PHE N N 15 118.438 0.300 . 1 . . . . 99 PHE N . 11089 1 1166 . 1 1 100 100 PHE H H 1 8.608 0.030 . 1 . . . . 100 PHE H . 11089 1 1167 . 1 1 100 100 PHE HA H 1 5.636 0.030 . 1 . . . . 100 PHE HA . 11089 1 1168 . 1 1 100 100 PHE HB2 H 1 0.768 0.030 . 2 . . . . 100 PHE HB2 . 11089 1 1169 . 1 1 100 100 PHE HB3 H 1 2.150 0.030 . 2 . . . . 100 PHE HB3 . 11089 1 1170 . 1 1 100 100 PHE HD1 H 1 6.236 0.030 . 1 . . . . 100 PHE HD1 . 11089 1 1171 . 1 1 100 100 PHE HD2 H 1 6.236 0.030 . 1 . . . . 100 PHE HD2 . 11089 1 1172 . 1 1 100 100 PHE HE1 H 1 6.544 0.030 . 1 . . . . 100 PHE HE1 . 11089 1 1173 . 1 1 100 100 PHE HE2 H 1 6.544 0.030 . 1 . . . . 100 PHE HE2 . 11089 1 1174 . 1 1 100 100 PHE HZ H 1 6.291 0.030 . 1 . . . . 100 PHE HZ . 11089 1 1175 . 1 1 100 100 PHE C C 13 174.422 0.300 . 1 . . . . 100 PHE C . 11089 1 1176 . 1 1 100 100 PHE CA C 13 54.498 0.300 . 1 . . . . 100 PHE CA . 11089 1 1177 . 1 1 100 100 PHE CB C 13 43.423 0.300 . 1 . . . . 100 PHE CB . 11089 1 1178 . 1 1 100 100 PHE CD1 C 13 132.014 0.300 . 1 . . . . 100 PHE CD1 . 11089 1 1179 . 1 1 100 100 PHE CD2 C 13 132.014 0.300 . 1 . . . . 100 PHE CD2 . 11089 1 1180 . 1 1 100 100 PHE CE1 C 13 129.391 0.300 . 1 . . . . 100 PHE CE1 . 11089 1 1181 . 1 1 100 100 PHE CE2 C 13 129.391 0.300 . 1 . . . . 100 PHE CE2 . 11089 1 1182 . 1 1 100 100 PHE CZ C 13 127.324 0.300 . 1 . . . . 100 PHE CZ . 11089 1 1183 . 1 1 100 100 PHE N N 15 118.570 0.300 . 1 . . . . 100 PHE N . 11089 1 1184 . 1 1 101 101 SER H H 1 9.317 0.030 . 1 . . . . 101 SER H . 11089 1 1185 . 1 1 101 101 SER HA H 1 5.280 0.030 . 1 . . . . 101 SER HA . 11089 1 1186 . 1 1 101 101 SER HB2 H 1 3.084 0.030 . 2 . . . . 101 SER HB2 . 11089 1 1187 . 1 1 101 101 SER HB3 H 1 3.423 0.030 . 2 . . . . 101 SER HB3 . 11089 1 1188 . 1 1 101 101 SER C C 13 173.547 0.300 . 1 . . . . 101 SER C . 11089 1 1189 . 1 1 101 101 SER CA C 13 57.032 0.300 . 1 . . . . 101 SER CA . 11089 1 1190 . 1 1 101 101 SER CB C 13 65.188 0.300 . 1 . . . . 101 SER CB . 11089 1 1191 . 1 1 101 101 SER N N 15 113.774 0.300 . 1 . . . . 101 SER N . 11089 1 1192 . 1 1 102 102 ALA H H 1 8.537 0.030 . 1 . . . . 102 ALA H . 11089 1 1193 . 1 1 102 102 ALA HA H 1 5.228 0.030 . 1 . . . . 102 ALA HA . 11089 1 1194 . 1 1 102 102 ALA HB1 H 1 1.794 0.030 . 1 . . . . 102 ALA HB . 11089 1 1195 . 1 1 102 102 ALA HB2 H 1 1.794 0.030 . 1 . . . . 102 ALA HB . 11089 1 1196 . 1 1 102 102 ALA HB3 H 1 1.794 0.030 . 1 . . . . 102 ALA HB . 11089 1 1197 . 1 1 102 102 ALA C C 13 176.560 0.300 . 1 . . . . 102 ALA C . 11089 1 1198 . 1 1 102 102 ALA CA C 13 50.100 0.300 . 1 . . . . 102 ALA CA . 11089 1 1199 . 1 1 102 102 ALA CB C 13 22.292 0.300 . 1 . . . . 102 ALA CB . 11089 1 1200 . 1 1 102 102 ALA N N 15 128.859 0.300 . 1 . . . . 102 ALA N . 11089 1 1201 . 1 1 103 103 GLU H H 1 9.233 0.030 . 1 . . . . 103 GLU H . 11089 1 1202 . 1 1 103 103 GLU HA H 1 4.478 0.030 . 1 . . . . 103 GLU HA . 11089 1 1203 . 1 1 103 103 GLU HB2 H 1 2.317 0.030 . 2 . . . . 103 GLU HB2 . 11089 1 1204 . 1 1 103 103 GLU HB3 H 1 2.219 0.030 . 2 . . . . 103 GLU HB3 . 11089 1 1205 . 1 1 103 103 GLU HG2 H 1 2.567 0.030 . 2 . . . . 103 GLU HG2 . 11089 1 1206 . 1 1 103 103 GLU HG3 H 1 2.365 0.030 . 2 . . . . 103 GLU HG3 . 11089 1 1207 . 1 1 103 103 GLU C C 13 175.707 0.300 . 1 . . . . 103 GLU C . 11089 1 1208 . 1 1 103 103 GLU CA C 13 57.560 0.300 . 1 . . . . 103 GLU CA . 11089 1 1209 . 1 1 103 103 GLU CB C 13 31.048 0.300 . 1 . . . . 103 GLU CB . 11089 1 1210 . 1 1 103 103 GLU CG C 13 37.608 0.300 . 1 . . . . 103 GLU CG . 11089 1 1211 . 1 1 103 103 GLU N N 15 114.741 0.300 . 1 . . . . 103 GLU N . 11089 1 1212 . 1 1 104 104 SER H H 1 7.431 0.030 . 1 . . . . 104 SER H . 11089 1 1213 . 1 1 104 104 SER HA H 1 4.290 0.030 . 1 . . . . 104 SER HA . 11089 1 1214 . 1 1 104 104 SER HB2 H 1 3.876 0.030 . 2 . . . . 104 SER HB2 . 11089 1 1215 . 1 1 104 104 SER HB3 H 1 4.232 0.030 . 2 . . . . 104 SER HB3 . 11089 1 1216 . 1 1 104 104 SER C C 13 171.682 0.300 . 1 . . . . 104 SER C . 11089 1 1217 . 1 1 104 104 SER CA C 13 55.202 0.300 . 1 . . . . 104 SER CA . 11089 1 1218 . 1 1 104 104 SER CB C 13 64.005 0.300 . 1 . . . . 104 SER CB . 11089 1 1219 . 1 1 104 104 SER N N 15 110.631 0.300 . 1 . . . . 104 SER N . 11089 1 1220 . 1 1 105 105 PRO HA H 1 4.315 0.030 . 1 . . . . 105 PRO HA . 11089 1 1221 . 1 1 105 105 PRO HB2 H 1 1.989 0.030 . 2 . . . . 105 PRO HB2 . 11089 1 1222 . 1 1 105 105 PRO HB3 H 1 2.494 0.030 . 2 . . . . 105 PRO HB3 . 11089 1 1223 . 1 1 105 105 PRO HD2 H 1 3.887 0.030 . 2 . . . . 105 PRO HD2 . 11089 1 1224 . 1 1 105 105 PRO HD3 H 1 3.331 0.030 . 2 . . . . 105 PRO HD3 . 11089 1 1225 . 1 1 105 105 PRO HG2 H 1 2.119 0.030 . 2 . . . . 105 PRO HG2 . 11089 1 1226 . 1 1 105 105 PRO HG3 H 1 2.236 0.030 . 2 . . . . 105 PRO HG3 . 11089 1 1227 . 1 1 105 105 PRO C C 13 179.008 0.300 . 1 . . . . 105 PRO C . 11089 1 1228 . 1 1 105 105 PRO CA C 13 64.737 0.300 . 1 . . . . 105 PRO CA . 11089 1 1229 . 1 1 105 105 PRO CB C 13 31.728 0.300 . 1 . . . . 105 PRO CB . 11089 1 1230 . 1 1 105 105 PRO CD C 13 50.539 0.300 . 1 . . . . 105 PRO CD . 11089 1 1231 . 1 1 105 105 PRO CG C 13 27.494 0.300 . 1 . . . . 105 PRO CG . 11089 1 1232 . 1 1 106 106 GLU H H 1 8.952 0.030 . 1 . . . . 106 GLU H . 11089 1 1233 . 1 1 106 106 GLU HA H 1 4.029 0.030 . 1 . . . . 106 GLU HA . 11089 1 1234 . 1 1 106 106 GLU HB2 H 1 1.922 0.030 . 2 . . . . 106 GLU HB2 . 11089 1 1235 . 1 1 106 106 GLU HB3 H 1 2.079 0.030 . 2 . . . . 106 GLU HB3 . 11089 1 1236 . 1 1 106 106 GLU HG2 H 1 2.264 0.030 . 2 . . . . 106 GLU HG2 . 11089 1 1237 . 1 1 106 106 GLU HG3 H 1 2.495 0.030 . 2 . . . . 106 GLU HG3 . 11089 1 1238 . 1 1 106 106 GLU C C 13 180.261 0.300 . 1 . . . . 106 GLU C . 11089 1 1239 . 1 1 106 106 GLU CA C 13 60.656 0.300 . 1 . . . . 106 GLU CA . 11089 1 1240 . 1 1 106 106 GLU CB C 13 28.351 0.300 . 1 . . . . 106 GLU CB . 11089 1 1241 . 1 1 106 106 GLU CG C 13 37.035 0.300 . 1 . . . . 106 GLU CG . 11089 1 1242 . 1 1 106 106 GLU N N 15 118.153 0.300 . 1 . . . . 106 GLU N . 11089 1 1243 . 1 1 107 107 GLU H H 1 7.808 0.030 . 1 . . . . 107 GLU H . 11089 1 1244 . 1 1 107 107 GLU HA H 1 4.388 0.030 . 1 . . . . 107 GLU HA . 11089 1 1245 . 1 1 107 107 GLU HB2 H 1 2.110 0.030 . 2 . . . . 107 GLU HB2 . 11089 1 1246 . 1 1 107 107 GLU HB3 H 1 2.391 0.030 . 2 . . . . 107 GLU HB3 . 11089 1 1247 . 1 1 107 107 GLU HG2 H 1 2.309 0.030 . 2 . . . . 107 GLU HG2 . 11089 1 1248 . 1 1 107 107 GLU HG3 H 1 2.522 0.030 . 2 . . . . 107 GLU HG3 . 11089 1 1249 . 1 1 107 107 GLU C C 13 178.027 0.300 . 1 . . . . 107 GLU C . 11089 1 1250 . 1 1 107 107 GLU CA C 13 58.510 0.300 . 1 . . . . 107 GLU CA . 11089 1 1251 . 1 1 107 107 GLU CB C 13 31.030 0.300 . 1 . . . . 107 GLU CB . 11089 1 1252 . 1 1 107 107 GLU CG C 13 37.280 0.300 . 1 . . . . 107 GLU CG . 11089 1 1253 . 1 1 107 107 GLU N N 15 120.001 0.300 . 1 . . . . 107 GLU N . 11089 1 1254 . 1 1 108 108 GLN H H 1 7.991 0.030 . 1 . . . . 108 GLN H . 11089 1 1255 . 1 1 108 108 GLN HA H 1 3.702 0.030 . 1 . . . . 108 GLN HA . 11089 1 1256 . 1 1 108 108 GLN HB2 H 1 2.807 0.030 . 2 . . . . 108 GLN HB2 . 11089 1 1257 . 1 1 108 108 GLN HB3 H 1 2.072 0.030 . 2 . . . . 108 GLN HB3 . 11089 1 1258 . 1 1 108 108 GLN HE21 H 1 7.387 0.030 . 2 . . . . 108 GLN HE21 . 11089 1 1259 . 1 1 108 108 GLN HE22 H 1 6.803 0.030 . 2 . . . . 108 GLN HE22 . 11089 1 1260 . 1 1 108 108 GLN HG2 H 1 2.208 0.030 . 2 . . . . 108 GLN HG2 . 11089 1 1261 . 1 1 108 108 GLN HG3 H 1 2.016 0.030 . 2 . . . . 108 GLN HG3 . 11089 1 1262 . 1 1 108 108 GLN C C 13 176.618 0.300 . 1 . . . . 108 GLN C . 11089 1 1263 . 1 1 108 108 GLN CA C 13 59.882 0.300 . 1 . . . . 108 GLN CA . 11089 1 1264 . 1 1 108 108 GLN CB C 13 28.553 0.300 . 1 . . . . 108 GLN CB . 11089 1 1265 . 1 1 108 108 GLN CG C 13 33.003 0.300 . 1 . . . . 108 GLN CG . 11089 1 1266 . 1 1 108 108 GLN N N 15 121.565 0.300 . 1 . . . . 108 GLN N . 11089 1 1267 . 1 1 108 108 GLN NE2 N 15 110.582 0.300 . 1 . . . . 108 GLN NE2 . 11089 1 1268 . 1 1 109 109 GLU H H 1 8.150 0.030 . 1 . . . . 109 GLU H . 11089 1 1269 . 1 1 109 109 GLU HA H 1 3.861 0.030 . 1 . . . . 109 GLU HA . 11089 1 1270 . 1 1 109 109 GLU HB2 H 1 2.046 0.030 . 2 . . . . 109 GLU HB2 . 11089 1 1271 . 1 1 109 109 GLU HB3 H 1 1.974 0.030 . 2 . . . . 109 GLU HB3 . 11089 1 1272 . 1 1 109 109 GLU HG2 H 1 2.242 0.030 . 2 . . . . 109 GLU HG2 . 11089 1 1273 . 1 1 109 109 GLU HG3 H 1 2.333 0.030 . 2 . . . . 109 GLU HG3 . 11089 1 1274 . 1 1 109 109 GLU C C 13 178.606 0.300 . 1 . . . . 109 GLU C . 11089 1 1275 . 1 1 109 109 GLU CA C 13 59.248 0.300 . 1 . . . . 109 GLU CA . 11089 1 1276 . 1 1 109 109 GLU CB C 13 29.221 0.300 . 1 . . . . 109 GLU CB . 11089 1 1277 . 1 1 109 109 GLU CG C 13 35.880 0.300 . 1 . . . . 109 GLU CG . 11089 1 1278 . 1 1 109 109 GLU N N 15 117.287 0.300 . 1 . . . . 109 GLU N . 11089 1 1279 . 1 1 110 110 ALA H H 1 7.959 0.030 . 1 . . . . 110 ALA H . 11089 1 1280 . 1 1 110 110 ALA HA H 1 4.039 0.030 . 1 . . . . 110 ALA HA . 11089 1 1281 . 1 1 110 110 ALA HB1 H 1 1.293 0.030 . 1 . . . . 110 ALA HB . 11089 1 1282 . 1 1 110 110 ALA HB2 H 1 1.293 0.030 . 1 . . . . 110 ALA HB . 11089 1 1283 . 1 1 110 110 ALA HB3 H 1 1.293 0.030 . 1 . . . . 110 ALA HB . 11089 1 1284 . 1 1 110 110 ALA C C 13 181.739 0.300 . 1 . . . . 110 ALA C . 11089 1 1285 . 1 1 110 110 ALA CA C 13 54.850 0.300 . 1 . . . . 110 ALA CA . 11089 1 1286 . 1 1 110 110 ALA CB C 13 18.321 0.300 . 1 . . . . 110 ALA CB . 11089 1 1287 . 1 1 110 110 ALA N N 15 120.888 0.300 . 1 . . . . 110 ALA N . 11089 1 1288 . 1 1 111 111 TRP H H 1 8.429 0.030 . 1 . . . . 111 TRP H . 11089 1 1289 . 1 1 111 111 TRP HA H 1 4.059 0.030 . 1 . . . . 111 TRP HA . 11089 1 1290 . 1 1 111 111 TRP HB2 H 1 2.804 0.030 . 1 . . . . 111 TRP HB2 . 11089 1 1291 . 1 1 111 111 TRP HB3 H 1 2.804 0.030 . 1 . . . . 111 TRP HB3 . 11089 1 1292 . 1 1 111 111 TRP HD1 H 1 7.195 0.030 . 1 . . . . 111 TRP HD1 . 11089 1 1293 . 1 1 111 111 TRP HE1 H 1 10.954 0.030 . 1 . . . . 111 TRP HE1 . 11089 1 1294 . 1 1 111 111 TRP HE3 H 1 7.152 0.030 . 1 . . . . 111 TRP HE3 . 11089 1 1295 . 1 1 111 111 TRP HH2 H 1 6.546 0.030 . 1 . . . . 111 TRP HH2 . 11089 1 1296 . 1 1 111 111 TRP HZ2 H 1 6.718 0.030 . 1 . . . . 111 TRP HZ2 . 11089 1 1297 . 1 1 111 111 TRP HZ3 H 1 6.511 0.030 . 1 . . . . 111 TRP HZ3 . 11089 1 1298 . 1 1 111 111 TRP C C 13 178.428 0.300 . 1 . . . . 111 TRP C . 11089 1 1299 . 1 1 111 111 TRP CA C 13 61.395 0.300 . 1 . . . . 111 TRP CA . 11089 1 1300 . 1 1 111 111 TRP CB C 13 30.599 0.300 . 1 . . . . 111 TRP CB . 11089 1 1301 . 1 1 111 111 TRP CD1 C 13 128.162 0.300 . 1 . . . . 111 TRP CD1 . 11089 1 1302 . 1 1 111 111 TRP CE3 C 13 119.531 0.300 . 1 . . . . 111 TRP CE3 . 11089 1 1303 . 1 1 111 111 TRP CH2 C 13 123.865 0.300 . 1 . . . . 111 TRP CH2 . 11089 1 1304 . 1 1 111 111 TRP CZ2 C 13 114.230 0.300 . 1 . . . . 111 TRP CZ2 . 11089 1 1305 . 1 1 111 111 TRP CZ3 C 13 120.385 0.300 . 1 . . . . 111 TRP CZ3 . 11089 1 1306 . 1 1 111 111 TRP N N 15 119.686 0.300 . 1 . . . . 111 TRP N . 11089 1 1307 . 1 1 111 111 TRP NE1 N 15 130.939 0.300 . 1 . . . . 111 TRP NE1 . 11089 1 1308 . 1 1 112 112 ILE H H 1 8.057 0.030 . 1 . . . . 112 ILE H . 11089 1 1309 . 1 1 112 112 ILE HA H 1 3.259 0.030 . 1 . . . . 112 ILE HA . 11089 1 1310 . 1 1 112 112 ILE HB H 1 1.660 0.030 . 1 . . . . 112 ILE HB . 11089 1 1311 . 1 1 112 112 ILE HD11 H 1 0.738 0.030 . 1 . . . . 112 ILE HD1 . 11089 1 1312 . 1 1 112 112 ILE HD12 H 1 0.738 0.030 . 1 . . . . 112 ILE HD1 . 11089 1 1313 . 1 1 112 112 ILE HD13 H 1 0.738 0.030 . 1 . . . . 112 ILE HD1 . 11089 1 1314 . 1 1 112 112 ILE HG12 H 1 1.088 0.030 . 2 . . . . 112 ILE HG12 . 11089 1 1315 . 1 1 112 112 ILE HG13 H 1 0.284 0.030 . 2 . . . . 112 ILE HG13 . 11089 1 1316 . 1 1 112 112 ILE HG21 H 1 0.784 0.030 . 1 . . . . 112 ILE HG2 . 11089 1 1317 . 1 1 112 112 ILE HG22 H 1 0.784 0.030 . 1 . . . . 112 ILE HG2 . 11089 1 1318 . 1 1 112 112 ILE HG23 H 1 0.784 0.030 . 1 . . . . 112 ILE HG2 . 11089 1 1319 . 1 1 112 112 ILE C C 13 179.482 0.300 . 1 . . . . 112 ILE C . 11089 1 1320 . 1 1 112 112 ILE CA C 13 66.004 0.300 . 1 . . . . 112 ILE CA . 11089 1 1321 . 1 1 112 112 ILE CB C 13 38.037 0.300 . 1 . . . . 112 ILE CB . 11089 1 1322 . 1 1 112 112 ILE CD1 C 13 15.405 0.300 . 1 . . . . 112 ILE CD1 . 11089 1 1323 . 1 1 112 112 ILE CG1 C 13 30.207 0.300 . 1 . . . . 112 ILE CG1 . 11089 1 1324 . 1 1 112 112 ILE CG2 C 13 17.156 0.300 . 1 . . . . 112 ILE CG2 . 11089 1 1325 . 1 1 112 112 ILE N N 15 120.954 0.300 . 1 . . . . 112 ILE N . 11089 1 1326 . 1 1 113 113 GLN H H 1 8.035 0.030 . 1 . . . . 113 GLN H . 11089 1 1327 . 1 1 113 113 GLN HA H 1 3.973 0.030 . 1 . . . . 113 GLN HA . 11089 1 1328 . 1 1 113 113 GLN HB2 H 1 2.032 0.030 . 1 . . . . 113 GLN HB2 . 11089 1 1329 . 1 1 113 113 GLN HB3 H 1 2.032 0.030 . 1 . . . . 113 GLN HB3 . 11089 1 1330 . 1 1 113 113 GLN HE21 H 1 6.745 0.030 . 2 . . . . 113 GLN HE21 . 11089 1 1331 . 1 1 113 113 GLN HE22 H 1 7.662 0.030 . 2 . . . . 113 GLN HE22 . 11089 1 1332 . 1 1 113 113 GLN HG2 H 1 2.431 0.030 . 2 . . . . 113 GLN HG2 . 11089 1 1333 . 1 1 113 113 GLN HG3 H 1 2.346 0.030 . 2 . . . . 113 GLN HG3 . 11089 1 1334 . 1 1 113 113 GLN C C 13 178.390 0.300 . 1 . . . . 113 GLN C . 11089 1 1335 . 1 1 113 113 GLN CA C 13 58.897 0.300 . 1 . . . . 113 GLN CA . 11089 1 1336 . 1 1 113 113 GLN CB C 13 27.952 0.300 . 1 . . . . 113 GLN CB . 11089 1 1337 . 1 1 113 113 GLN CG C 13 33.332 0.300 . 1 . . . . 113 GLN CG . 11089 1 1338 . 1 1 113 113 GLN N N 15 118.886 0.300 . 1 . . . . 113 GLN N . 11089 1 1339 . 1 1 113 113 GLN NE2 N 15 112.344 0.300 . 1 . . . . 113 GLN NE2 . 11089 1 1340 . 1 1 114 114 ALA H H 1 7.920 0.030 . 1 . . . . 114 ALA H . 11089 1 1341 . 1 1 114 114 ALA HA H 1 4.043 0.030 . 1 . . . . 114 ALA HA . 11089 1 1342 . 1 1 114 114 ALA HB1 H 1 1.120 0.030 . 1 . . . . 114 ALA HB . 11089 1 1343 . 1 1 114 114 ALA HB2 H 1 1.120 0.030 . 1 . . . . 114 ALA HB . 11089 1 1344 . 1 1 114 114 ALA HB3 H 1 1.120 0.030 . 1 . . . . 114 ALA HB . 11089 1 1345 . 1 1 114 114 ALA C C 13 180.992 0.300 . 1 . . . . 114 ALA C . 11089 1 1346 . 1 1 114 114 ALA CA C 13 55.026 0.300 . 1 . . . . 114 ALA CA . 11089 1 1347 . 1 1 114 114 ALA CB C 13 18.314 0.300 . 1 . . . . 114 ALA CB . 11089 1 1348 . 1 1 114 114 ALA N N 15 120.841 0.300 . 1 . . . . 114 ALA N . 11089 1 1349 . 1 1 115 115 MET H H 1 9.203 0.030 . 1 . . . . 115 MET H . 11089 1 1350 . 1 1 115 115 MET HA H 1 3.864 0.030 . 1 . . . . 115 MET HA . 11089 1 1351 . 1 1 115 115 MET HB2 H 1 2.225 0.030 . 2 . . . . 115 MET HB2 . 11089 1 1352 . 1 1 115 115 MET HB3 H 1 1.820 0.030 . 2 . . . . 115 MET HB3 . 11089 1 1353 . 1 1 115 115 MET HE1 H 1 1.064 0.030 . 1 . . . . 115 MET HE . 11089 1 1354 . 1 1 115 115 MET HE2 H 1 1.064 0.030 . 1 . . . . 115 MET HE . 11089 1 1355 . 1 1 115 115 MET HE3 H 1 1.064 0.030 . 1 . . . . 115 MET HE . 11089 1 1356 . 1 1 115 115 MET HG2 H 1 3.045 0.030 . 2 . . . . 115 MET HG2 . 11089 1 1357 . 1 1 115 115 MET HG3 H 1 2.338 0.030 . 2 . . . . 115 MET HG3 . 11089 1 1358 . 1 1 115 115 MET C C 13 177.600 0.300 . 1 . . . . 115 MET C . 11089 1 1359 . 1 1 115 115 MET CA C 13 60.158 0.300 . 1 . . . . 115 MET CA . 11089 1 1360 . 1 1 115 115 MET CB C 13 33.541 0.300 . 1 . . . . 115 MET CB . 11089 1 1361 . 1 1 115 115 MET CE C 13 18.411 0.300 . 1 . . . . 115 MET CE . 11089 1 1362 . 1 1 115 115 MET CG C 13 33.901 0.300 . 1 . . . . 115 MET CG . 11089 1 1363 . 1 1 115 115 MET N N 15 116.179 0.300 . 1 . . . . 115 MET N . 11089 1 1364 . 1 1 116 116 GLY H H 1 8.345 0.030 . 1 . . . . 116 GLY H . 11089 1 1365 . 1 1 116 116 GLY HA2 H 1 3.788 0.030 . 2 . . . . 116 GLY HA2 . 11089 1 1366 . 1 1 116 116 GLY HA3 H 1 4.108 0.030 . 2 . . . . 116 GLY HA3 . 11089 1 1367 . 1 1 116 116 GLY C C 13 176.762 0.300 . 1 . . . . 116 GLY C . 11089 1 1368 . 1 1 116 116 GLY CA C 13 46.934 0.300 . 1 . . . . 116 GLY CA . 11089 1 1369 . 1 1 116 116 GLY N N 15 106.246 0.300 . 1 . . . . 116 GLY N . 11089 1 1370 . 1 1 117 117 GLU H H 1 7.905 0.030 . 1 . . . . 117 GLU H . 11089 1 1371 . 1 1 117 117 GLU HA H 1 4.119 0.030 . 1 . . . . 117 GLU HA . 11089 1 1372 . 1 1 117 117 GLU HB2 H 1 2.107 0.030 . 2 . . . . 117 GLU HB2 . 11089 1 1373 . 1 1 117 117 GLU HB3 H 1 2.044 0.030 . 2 . . . . 117 GLU HB3 . 11089 1 1374 . 1 1 117 117 GLU HG2 H 1 2.363 0.030 . 2 . . . . 117 GLU HG2 . 11089 1 1375 . 1 1 117 117 GLU HG3 H 1 2.305 0.030 . 2 . . . . 117 GLU HG3 . 11089 1 1376 . 1 1 117 117 GLU C C 13 178.637 0.300 . 1 . . . . 117 GLU C . 11089 1 1377 . 1 1 117 117 GLU CA C 13 58.861 0.300 . 1 . . . . 117 GLU CA . 11089 1 1378 . 1 1 117 117 GLU CB C 13 29.263 0.300 . 1 . . . . 117 GLU CB . 11089 1 1379 . 1 1 117 117 GLU CG C 13 36.375 0.300 . 1 . . . . 117 GLU CG . 11089 1 1380 . 1 1 117 117 GLU N N 15 121.374 0.300 . 1 . . . . 117 GLU N . 11089 1 1381 . 1 1 118 118 ALA H H 1 7.472 0.030 . 1 . . . . 118 ALA H . 11089 1 1382 . 1 1 118 118 ALA HA H 1 4.162 0.030 . 1 . . . . 118 ALA HA . 11089 1 1383 . 1 1 118 118 ALA HB1 H 1 1.497 0.030 . 1 . . . . 118 ALA HB . 11089 1 1384 . 1 1 118 118 ALA HB2 H 1 1.497 0.030 . 1 . . . . 118 ALA HB . 11089 1 1385 . 1 1 118 118 ALA HB3 H 1 1.497 0.030 . 1 . . . . 118 ALA HB . 11089 1 1386 . 1 1 118 118 ALA C C 13 177.845 0.300 . 1 . . . . 118 ALA C . 11089 1 1387 . 1 1 118 118 ALA CA C 13 53.935 0.300 . 1 . . . . 118 ALA CA . 11089 1 1388 . 1 1 118 118 ALA CB C 13 19.846 0.300 . 1 . . . . 118 ALA CB . 11089 1 1389 . 1 1 118 118 ALA N N 15 121.202 0.300 . 1 . . . . 118 ALA N . 11089 1 1390 . 1 1 119 119 ALA H H 1 7.677 0.030 . 1 . . . . 119 ALA H . 11089 1 1391 . 1 1 119 119 ALA HA H 1 4.228 0.030 . 1 . . . . 119 ALA HA . 11089 1 1392 . 1 1 119 119 ALA HB1 H 1 1.663 0.030 . 1 . . . . 119 ALA HB . 11089 1 1393 . 1 1 119 119 ALA HB2 H 1 1.663 0.030 . 1 . . . . 119 ALA HB . 11089 1 1394 . 1 1 119 119 ALA HB3 H 1 1.663 0.030 . 1 . . . . 119 ALA HB . 11089 1 1395 . 1 1 119 119 ALA C C 13 178.673 0.300 . 1 . . . . 119 ALA C . 11089 1 1396 . 1 1 119 119 ALA CA C 13 53.056 0.300 . 1 . . . . 119 ALA CA . 11089 1 1397 . 1 1 119 119 ALA CB C 13 21.194 0.300 . 1 . . . . 119 ALA CB . 11089 1 1398 . 1 1 119 119 ALA N N 15 117.596 0.300 . 1 . . . . 119 ALA N . 11089 1 1399 . 1 1 120 120 ARG H H 1 7.254 0.030 . 1 . . . . 120 ARG H . 11089 1 1400 . 1 1 120 120 ARG HA H 1 4.254 0.030 . 1 . . . . 120 ARG HA . 11089 1 1401 . 1 1 120 120 ARG HB2 H 1 1.906 0.030 . 1 . . . . 120 ARG HB2 . 11089 1 1402 . 1 1 120 120 ARG HB3 H 1 1.906 0.030 . 1 . . . . 120 ARG HB3 . 11089 1 1403 . 1 1 120 120 ARG HD2 H 1 3.243 0.030 . 1 . . . . 120 ARG HD2 . 11089 1 1404 . 1 1 120 120 ARG HD3 H 1 3.243 0.030 . 1 . . . . 120 ARG HD3 . 11089 1 1405 . 1 1 120 120 ARG HG2 H 1 1.629 0.030 . 2 . . . . 120 ARG HG2 . 11089 1 1406 . 1 1 120 120 ARG HG3 H 1 1.766 0.030 . 2 . . . . 120 ARG HG3 . 11089 1 1407 . 1 1 120 120 ARG C C 13 175.916 0.300 . 1 . . . . 120 ARG C . 11089 1 1408 . 1 1 120 120 ARG CA C 13 57.008 0.300 . 1 . . . . 120 ARG CA . 11089 1 1409 . 1 1 120 120 ARG CB C 13 31.324 0.300 . 1 . . . . 120 ARG CB . 11089 1 1410 . 1 1 120 120 ARG CD C 13 43.776 0.300 . 1 . . . . 120 ARG CD . 11089 1 1411 . 1 1 120 120 ARG CG C 13 27.262 0.300 . 1 . . . . 120 ARG CG . 11089 1 1412 . 1 1 120 120 ARG N N 15 118.206 0.300 . 1 . . . . 120 ARG N . 11089 1 1413 . 1 1 121 121 VAL H H 1 8.369 0.030 . 1 . . . . 121 VAL H . 11089 1 1414 . 1 1 121 121 VAL HA H 1 4.066 0.030 . 1 . . . . 121 VAL HA . 11089 1 1415 . 1 1 121 121 VAL HB H 1 2.093 0.030 . 1 . . . . 121 VAL HB . 11089 1 1416 . 1 1 121 121 VAL HG11 H 1 0.987 0.030 . 1 . . . . 121 VAL HG1 . 11089 1 1417 . 1 1 121 121 VAL HG12 H 1 0.987 0.030 . 1 . . . . 121 VAL HG1 . 11089 1 1418 . 1 1 121 121 VAL HG13 H 1 0.987 0.030 . 1 . . . . 121 VAL HG1 . 11089 1 1419 . 1 1 121 121 VAL HG21 H 1 1.018 0.030 . 1 . . . . 121 VAL HG2 . 11089 1 1420 . 1 1 121 121 VAL HG22 H 1 1.018 0.030 . 1 . . . . 121 VAL HG2 . 11089 1 1421 . 1 1 121 121 VAL HG23 H 1 1.018 0.030 . 1 . . . . 121 VAL HG2 . 11089 1 1422 . 1 1 121 121 VAL C C 13 175.541 0.300 . 1 . . . . 121 VAL C . 11089 1 1423 . 1 1 121 121 VAL CA C 13 62.908 0.300 . 1 . . . . 121 VAL CA . 11089 1 1424 . 1 1 121 121 VAL CB C 13 32.647 0.300 . 1 . . . . 121 VAL CB . 11089 1 1425 . 1 1 121 121 VAL CG1 C 13 21.292 0.300 . 2 . . . . 121 VAL CG1 . 11089 1 1426 . 1 1 121 121 VAL CG2 C 13 21.006 0.300 . 2 . . . . 121 VAL CG2 . 11089 1 1427 . 1 1 121 121 VAL N N 15 123.870 0.300 . 1 . . . . 121 VAL N . 11089 1 1428 . 1 1 122 122 GLN H H 1 7.995 0.030 . 1 . . . . 122 GLN H . 11089 1 1429 . 1 1 122 122 GLN HA H 1 4.191 0.030 . 1 . . . . 122 GLN HA . 11089 1 1430 . 1 1 122 122 GLN HB2 H 1 2.079 0.030 . 2 . . . . 122 GLN HB2 . 11089 1 1431 . 1 1 122 122 GLN HB3 H 1 1.953 0.030 . 2 . . . . 122 GLN HB3 . 11089 1 1432 . 1 1 122 122 GLN HE21 H 1 7.586 0.030 . 2 . . . . 122 GLN HE21 . 11089 1 1433 . 1 1 122 122 GLN HE22 H 1 6.869 0.030 . 2 . . . . 122 GLN HE22 . 11089 1 1434 . 1 1 122 122 GLN HG2 H 1 2.293 0.030 . 1 . . . . 122 GLN HG2 . 11089 1 1435 . 1 1 122 122 GLN HG3 H 1 2.293 0.030 . 1 . . . . 122 GLN HG3 . 11089 1 1436 . 1 1 122 122 GLN C C 13 180.283 0.300 . 1 . . . . 122 GLN C . 11089 1 1437 . 1 1 122 122 GLN CA C 13 57.428 0.300 . 1 . . . . 122 GLN CA . 11089 1 1438 . 1 1 122 122 GLN CB C 13 30.619 0.300 . 1 . . . . 122 GLN CB . 11089 1 1439 . 1 1 122 122 GLN CG C 13 34.217 0.300 . 1 . . . . 122 GLN CG . 11089 1 1440 . 1 1 122 122 GLN N N 15 128.927 0.300 . 1 . . . . 122 GLN N . 11089 1 1441 . 1 1 122 122 GLN NE2 N 15 112.426 0.300 . 1 . . . . 122 GLN NE2 . 11089 1 stop_ save_