data_10311 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10311 _Entry.Title ; Solution structure of the PH domain of PEPP-3 from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-11 _Entry.Accession_date 2009-03-11 _Entry.Last_release_date 2010-03-11 _Entry.Original_release_date 2010-03-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 10311 2 N. Tochio . . . 10311 3 S. Koshiba . . . 10311 4 M. Inoue . . . 10311 5 T. Kigawa . . . 10311 6 S. Yokoyama . . . 10311 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10311 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10311 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 502 10311 '15N chemical shifts' 116 10311 '1H chemical shifts' 774 10311 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-03-11 2009-03-11 original author . 10311 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D9Y 'BMRB Entry Tracking System' 10311 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10311 _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 PEPP-3 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 . . . 10311 1 2 N. Tochio . . . 10311 1 3 S. Koshiba . . . 10311 1 4 M. Inoue . . . 10311 1 5 T. Kigawa . . . 10311 1 6 S. Yokoyama . . . 10311 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10311 _Assembly.ID 1 _Assembly.Name 'Pleckstrin homology domain-containing protein 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 . . yes native no no . . . 10311 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2D9Y . . . . . . 10311 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10311 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGNAPVTKAGWLFKQ ASSGVKQWNKRWFVLVDRCL FYYKDEKEESILGSIPLLSF RVAAVQPSDNISRKHTFKAE HAGVRTYFFSAESPEEQEAW IQAMGEAARVQSGPSSG ; _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 117 _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 2D9Y . "Solution Structure Of The Ph Domain Of Pepp-3 From Human" . . . . . 100.00 117 100.00 100.00 6.49e-79 . . . . 10311 1 2 no DBJ BAA76813 . "KIAA0969 protein [Homo sapiens]" . . . . . 92.31 1048 97.22 98.15 5.37e-66 . . . . 10311 1 3 no DBJ BAG09923 . "pleckstrin homology domain-containing protein, family A member 6 [synthetic construct]" . . . . . 92.31 1048 97.22 98.15 5.37e-66 . . . . 10311 1 4 no GB AAI52476 . "Pleckstrin homology domain containing, family A member 6 [Homo sapiens]" . . . . . 92.31 1048 97.22 98.15 5.37e-66 . . . . 10311 1 5 no GB AAI67845 . "Pleckstrin homology domain containing, family A member 6 [synthetic construct]" . . . . . 92.31 1048 97.22 98.15 6.19e-66 . . . . 10311 1 6 no GB EAW91509 . "pleckstrin homology domain containing, family A member 6, isoform CRA_a [Homo sapiens]" . . . . . 92.31 1152 97.22 98.15 3.27e-65 . . . . 10311 1 7 no GB EAW91510 . "pleckstrin homology domain containing, family A member 6, isoform CRA_b [Homo sapiens]" . . . . . 92.31 1048 97.22 98.15 5.71e-66 . . . . 10311 1 8 no REF NP_055750 . "pleckstrin homology domain-containing family A member 6 [Homo sapiens]" . . . . . 92.31 1048 97.22 98.15 6.19e-66 . . . . 10311 1 9 no REF XP_002808300 . "PREDICTED: LOW QUALITY PROTEIN: pleckstrin homology domain-containing family A member 6-like [Macaca mulatta]" . . . . . 92.31 1048 97.22 98.15 6.38e-66 . . . . 10311 1 10 no REF XP_002918242 . "PREDICTED: pleckstrin homology domain-containing family A member 6 [Ailuropoda melanoleuca]" . . . . . 92.31 1141 97.22 98.15 2.45e-65 . . . . 10311 1 11 no REF XP_003474853 . "PREDICTED: pleckstrin homology domain-containing family A member 6 isoform X3 [Cavia porcellus]" . . . . . 91.45 1278 97.20 98.13 1.02e-63 . . . . 10311 1 12 no REF XP_003505811 . "PREDICTED: pleckstrin homology domain-containing family A member 6 isoform X5 [Cricetulus griseus]" . . . . . 91.45 1049 97.20 98.13 6.98e-65 . . . . 10311 1 13 no SP Q9Y2H5 . "RecName: Full=Pleckstrin homology domain-containing family A member 6; Short=PH domain-containing family A member 6; AltName: F" . . . . . 92.31 1048 97.22 98.15 6.19e-66 . . . . 10311 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain' . 10311 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 . 10311 1 2 . SER . 10311 1 3 . SER . 10311 1 4 . GLY . 10311 1 5 . SER . 10311 1 6 . SER . 10311 1 7 . GLY . 10311 1 8 . ASN . 10311 1 9 . ALA . 10311 1 10 . PRO . 10311 1 11 . VAL . 10311 1 12 . THR . 10311 1 13 . LYS . 10311 1 14 . ALA . 10311 1 15 . GLY . 10311 1 16 . TRP . 10311 1 17 . LEU . 10311 1 18 . PHE . 10311 1 19 . LYS . 10311 1 20 . GLN . 10311 1 21 . ALA . 10311 1 22 . SER . 10311 1 23 . SER . 10311 1 24 . GLY . 10311 1 25 . VAL . 10311 1 26 . LYS . 10311 1 27 . GLN . 10311 1 28 . TRP . 10311 1 29 . ASN . 10311 1 30 . LYS . 10311 1 31 . ARG . 10311 1 32 . TRP . 10311 1 33 . PHE . 10311 1 34 . VAL . 10311 1 35 . LEU . 10311 1 36 . VAL . 10311 1 37 . ASP . 10311 1 38 . ARG . 10311 1 39 . CYS . 10311 1 40 . LEU . 10311 1 41 . PHE . 10311 1 42 . TYR . 10311 1 43 . TYR . 10311 1 44 . LYS . 10311 1 45 . ASP . 10311 1 46 . GLU . 10311 1 47 . LYS . 10311 1 48 . GLU . 10311 1 49 . GLU . 10311 1 50 . SER . 10311 1 51 . ILE . 10311 1 52 . LEU . 10311 1 53 . GLY . 10311 1 54 . SER . 10311 1 55 . ILE . 10311 1 56 . PRO . 10311 1 57 . LEU . 10311 1 58 . LEU . 10311 1 59 . SER . 10311 1 60 . PHE . 10311 1 61 . ARG . 10311 1 62 . VAL . 10311 1 63 . ALA . 10311 1 64 . ALA . 10311 1 65 . VAL . 10311 1 66 . GLN . 10311 1 67 . PRO . 10311 1 68 . SER . 10311 1 69 . ASP . 10311 1 70 . ASN . 10311 1 71 . ILE . 10311 1 72 . SER . 10311 1 73 . ARG . 10311 1 74 . LYS . 10311 1 75 . HIS . 10311 1 76 . THR . 10311 1 77 . PHE . 10311 1 78 . LYS . 10311 1 79 . ALA . 10311 1 80 . GLU . 10311 1 81 . HIS . 10311 1 82 . ALA . 10311 1 83 . GLY . 10311 1 84 . VAL . 10311 1 85 . ARG . 10311 1 86 . THR . 10311 1 87 . TYR . 10311 1 88 . PHE . 10311 1 89 . PHE . 10311 1 90 . SER . 10311 1 91 . ALA . 10311 1 92 . GLU . 10311 1 93 . SER . 10311 1 94 . PRO . 10311 1 95 . GLU . 10311 1 96 . GLU . 10311 1 97 . GLN . 10311 1 98 . GLU . 10311 1 99 . ALA . 10311 1 100 . TRP . 10311 1 101 . ILE . 10311 1 102 . GLN . 10311 1 103 . ALA . 10311 1 104 . MET . 10311 1 105 . GLY . 10311 1 106 . GLU . 10311 1 107 . ALA . 10311 1 108 . ALA . 10311 1 109 . ARG . 10311 1 110 . VAL . 10311 1 111 . GLN . 10311 1 112 . SER . 10311 1 113 . GLY . 10311 1 114 . PRO . 10311 1 115 . SER . 10311 1 116 . SER . 10311 1 117 . GLY . 10311 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 10311 1 . SER 2 2 10311 1 . SER 3 3 10311 1 . GLY 4 4 10311 1 . SER 5 5 10311 1 . SER 6 6 10311 1 . GLY 7 7 10311 1 . ASN 8 8 10311 1 . ALA 9 9 10311 1 . PRO 10 10 10311 1 . VAL 11 11 10311 1 . THR 12 12 10311 1 . LYS 13 13 10311 1 . ALA 14 14 10311 1 . GLY 15 15 10311 1 . TRP 16 16 10311 1 . LEU 17 17 10311 1 . PHE 18 18 10311 1 . LYS 19 19 10311 1 . GLN 20 20 10311 1 . ALA 21 21 10311 1 . SER 22 22 10311 1 . SER 23 23 10311 1 . GLY 24 24 10311 1 . VAL 25 25 10311 1 . LYS 26 26 10311 1 . GLN 27 27 10311 1 . TRP 28 28 10311 1 . ASN 29 29 10311 1 . LYS 30 30 10311 1 . ARG 31 31 10311 1 . TRP 32 32 10311 1 . PHE 33 33 10311 1 . VAL 34 34 10311 1 . LEU 35 35 10311 1 . VAL 36 36 10311 1 . ASP 37 37 10311 1 . ARG 38 38 10311 1 . CYS 39 39 10311 1 . LEU 40 40 10311 1 . PHE 41 41 10311 1 . TYR 42 42 10311 1 . TYR 43 43 10311 1 . LYS 44 44 10311 1 . ASP 45 45 10311 1 . GLU 46 46 10311 1 . LYS 47 47 10311 1 . GLU 48 48 10311 1 . GLU 49 49 10311 1 . SER 50 50 10311 1 . ILE 51 51 10311 1 . LEU 52 52 10311 1 . GLY 53 53 10311 1 . SER 54 54 10311 1 . ILE 55 55 10311 1 . PRO 56 56 10311 1 . LEU 57 57 10311 1 . LEU 58 58 10311 1 . SER 59 59 10311 1 . PHE 60 60 10311 1 . ARG 61 61 10311 1 . VAL 62 62 10311 1 . ALA 63 63 10311 1 . ALA 64 64 10311 1 . VAL 65 65 10311 1 . GLN 66 66 10311 1 . PRO 67 67 10311 1 . SER 68 68 10311 1 . ASP 69 69 10311 1 . ASN 70 70 10311 1 . ILE 71 71 10311 1 . SER 72 72 10311 1 . ARG 73 73 10311 1 . LYS 74 74 10311 1 . HIS 75 75 10311 1 . THR 76 76 10311 1 . PHE 77 77 10311 1 . LYS 78 78 10311 1 . ALA 79 79 10311 1 . GLU 80 80 10311 1 . HIS 81 81 10311 1 . ALA 82 82 10311 1 . GLY 83 83 10311 1 . VAL 84 84 10311 1 . ARG 85 85 10311 1 . THR 86 86 10311 1 . TYR 87 87 10311 1 . PHE 88 88 10311 1 . PHE 89 89 10311 1 . SER 90 90 10311 1 . ALA 91 91 10311 1 . GLU 92 92 10311 1 . SER 93 93 10311 1 . PRO 94 94 10311 1 . GLU 95 95 10311 1 . GLU 96 96 10311 1 . GLN 97 97 10311 1 . GLU 98 98 10311 1 . ALA 99 99 10311 1 . TRP 100 100 10311 1 . ILE 101 101 10311 1 . GLN 102 102 10311 1 . ALA 103 103 10311 1 . MET 104 104 10311 1 . GLY 105 105 10311 1 . GLU 106 106 10311 1 . ALA 107 107 10311 1 . ALA 108 108 10311 1 . ARG 109 109 10311 1 . VAL 110 110 10311 1 . GLN 111 111 10311 1 . SER 112 112 10311 1 . GLY 113 113 10311 1 . PRO 114 114 10311 1 . SER 115 115 10311 1 . SER 116 116 10311 1 . GLY 117 117 10311 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 10311 _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 . . . . . . . . . . . . . . . . . . . . . 10311 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 10311 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'Cell-free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050711-08 . . . . . . 10311 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10311 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% H2O' _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 1.14 . . mM . . . . 10311 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10311 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10311 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10311 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10311 1 6 H2O . . . . . . solvent 90 . . % . . . . 10311 1 7 D2O . . . . . . solvent 10 . . % . . . . 10311 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 10311 _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 10311 1 pH 7.0 0.05 pH 10311 1 pressure 1 0.001 atm 10311 1 temperature 296 0.1 K 10311 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10311 _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 . . 10311 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10311 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10311 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10311 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10311 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10311 _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.' . . 10311 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10311 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10311 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10311 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10311 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10311 _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.' . . 10311 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10311 5 'structure solution' 10311 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 10311 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 10311 _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 . 900 . . . 10311 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 10311 _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 . . . . . . . . . . . . . . . . 10311 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10311 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 10311 _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 . . . . . . . . . 10311 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10311 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10311 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 10311 _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 10311 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10311 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.450 0.030 . 1 . . . . 6 SER HA . 10311 1 2 . 1 1 6 6 SER HB2 H 1 3.879 0.030 . 1 . . . . 6 SER HB2 . 10311 1 3 . 1 1 6 6 SER HB3 H 1 3.879 0.030 . 1 . . . . 6 SER HB3 . 10311 1 4 . 1 1 6 6 SER C C 13 174.998 0.300 . 1 . . . . 6 SER C . 10311 1 5 . 1 1 6 6 SER CA C 13 58.618 0.300 . 1 . . . . 6 SER CA . 10311 1 6 . 1 1 6 6 SER CB C 13 63.673 0.300 . 1 . . . . 6 SER CB . 10311 1 7 . 1 1 7 7 GLY H H 1 8.353 0.030 . 1 . . . . 7 GLY H . 10311 1 8 . 1 1 7 7 GLY HA2 H 1 3.937 0.030 . 1 . . . . 7 GLY HA2 . 10311 1 9 . 1 1 7 7 GLY HA3 H 1 3.937 0.030 . 1 . . . . 7 GLY HA3 . 10311 1 10 . 1 1 7 7 GLY C C 13 173.875 0.300 . 1 . . . . 7 GLY C . 10311 1 11 . 1 1 7 7 GLY CA C 13 45.376 0.300 . 1 . . . . 7 GLY CA . 10311 1 12 . 1 1 7 7 GLY N N 15 110.521 0.300 . 1 . . . . 7 GLY N . 10311 1 13 . 1 1 8 8 ASN H H 1 8.289 0.030 . 1 . . . . 8 ASN H . 10311 1 14 . 1 1 8 8 ASN HA H 1 4.708 0.030 . 1 . . . . 8 ASN HA . 10311 1 15 . 1 1 8 8 ASN HB2 H 1 2.797 0.030 . 2 . . . . 8 ASN HB2 . 10311 1 16 . 1 1 8 8 ASN HB3 H 1 2.677 0.030 . 2 . . . . 8 ASN HB3 . 10311 1 17 . 1 1 8 8 ASN HD21 H 1 7.554 0.030 . 2 . . . . 8 ASN HD21 . 10311 1 18 . 1 1 8 8 ASN HD22 H 1 6.895 0.030 . 2 . . . . 8 ASN HD22 . 10311 1 19 . 1 1 8 8 ASN C C 13 174.588 0.300 . 1 . . . . 8 ASN C . 10311 1 20 . 1 1 8 8 ASN CA C 13 53.009 0.300 . 1 . . . . 8 ASN CA . 10311 1 21 . 1 1 8 8 ASN CB C 13 39.110 0.300 . 1 . . . . 8 ASN CB . 10311 1 22 . 1 1 8 8 ASN N N 15 118.518 0.300 . 1 . . . . 8 ASN N . 10311 1 23 . 1 1 8 8 ASN ND2 N 15 112.937 0.300 . 1 . . . . 8 ASN ND2 . 10311 1 24 . 1 1 9 9 ALA H H 1 8.194 0.030 . 1 . . . . 9 ALA H . 10311 1 25 . 1 1 9 9 ALA HA H 1 4.568 0.030 . 1 . . . . 9 ALA HA . 10311 1 26 . 1 1 9 9 ALA HB1 H 1 1.327 0.030 . 1 . . . . 9 ALA HB . 10311 1 27 . 1 1 9 9 ALA HB2 H 1 1.327 0.030 . 1 . . . . 9 ALA HB . 10311 1 28 . 1 1 9 9 ALA HB3 H 1 1.327 0.030 . 1 . . . . 9 ALA HB . 10311 1 29 . 1 1 9 9 ALA C C 13 175.054 0.300 . 1 . . . . 9 ALA C . 10311 1 30 . 1 1 9 9 ALA CA C 13 50.564 0.300 . 1 . . . . 9 ALA CA . 10311 1 31 . 1 1 9 9 ALA CB C 13 18.412 0.300 . 1 . . . . 9 ALA CB . 10311 1 32 . 1 1 9 9 ALA N N 15 125.464 0.300 . 1 . . . . 9 ALA N . 10311 1 33 . 1 1 10 10 PRO HA H 1 4.457 0.030 . 1 . . . . 10 PRO HA . 10311 1 34 . 1 1 10 10 PRO HB2 H 1 2.220 0.030 . 2 . . . . 10 PRO HB2 . 10311 1 35 . 1 1 10 10 PRO HB3 H 1 1.880 0.030 . 2 . . . . 10 PRO HB3 . 10311 1 36 . 1 1 10 10 PRO HD2 H 1 3.747 0.030 . 2 . . . . 10 PRO HD2 . 10311 1 37 . 1 1 10 10 PRO HD3 H 1 3.640 0.030 . 2 . . . . 10 PRO HD3 . 10311 1 38 . 1 1 10 10 PRO HG2 H 1 2.007 0.030 . 1 . . . . 10 PRO HG2 . 10311 1 39 . 1 1 10 10 PRO HG3 H 1 2.007 0.030 . 1 . . . . 10 PRO HG3 . 10311 1 40 . 1 1 10 10 PRO C C 13 176.547 0.300 . 1 . . . . 10 PRO C . 10311 1 41 . 1 1 10 10 PRO CA C 13 62.628 0.300 . 1 . . . . 10 PRO CA . 10311 1 42 . 1 1 10 10 PRO CB C 13 31.884 0.300 . 1 . . . . 10 PRO CB . 10311 1 43 . 1 1 10 10 PRO CD C 13 50.397 0.300 . 1 . . . . 10 PRO CD . 10311 1 44 . 1 1 10 10 PRO CG C 13 27.262 0.300 . 1 . . . . 10 PRO CG . 10311 1 45 . 1 1 11 11 VAL H H 1 8.306 0.030 . 1 . . . . 11 VAL H . 10311 1 46 . 1 1 11 11 VAL HA H 1 4.032 0.030 . 1 . . . . 11 VAL HA . 10311 1 47 . 1 1 11 11 VAL HB H 1 1.988 0.030 . 1 . . . . 11 VAL HB . 10311 1 48 . 1 1 11 11 VAL HG11 H 1 0.897 0.030 . 1 . . . . 11 VAL HG1 . 10311 1 49 . 1 1 11 11 VAL HG12 H 1 0.897 0.030 . 1 . . . . 11 VAL HG1 . 10311 1 50 . 1 1 11 11 VAL HG13 H 1 0.897 0.030 . 1 . . . . 11 VAL HG1 . 10311 1 51 . 1 1 11 11 VAL HG21 H 1 0.840 0.030 . 1 . . . . 11 VAL HG2 . 10311 1 52 . 1 1 11 11 VAL HG22 H 1 0.840 0.030 . 1 . . . . 11 VAL HG2 . 10311 1 53 . 1 1 11 11 VAL HG23 H 1 0.840 0.030 . 1 . . . . 11 VAL HG2 . 10311 1 54 . 1 1 11 11 VAL C C 13 176.846 0.300 . 1 . . . . 11 VAL C . 10311 1 55 . 1 1 11 11 VAL CA C 13 62.575 0.300 . 1 . . . . 11 VAL CA . 10311 1 56 . 1 1 11 11 VAL CB C 13 32.969 0.300 . 1 . . . . 11 VAL CB . 10311 1 57 . 1 1 11 11 VAL CG1 C 13 21.004 0.300 . 2 . . . . 11 VAL CG1 . 10311 1 58 . 1 1 11 11 VAL CG2 C 13 21.749 0.300 . 2 . . . . 11 VAL CG2 . 10311 1 59 . 1 1 11 11 VAL N N 15 121.119 0.300 . 1 . . . . 11 VAL N . 10311 1 60 . 1 1 12 12 THR H H 1 8.818 0.030 . 1 . . . . 12 THR H . 10311 1 61 . 1 1 12 12 THR HA H 1 4.216 0.030 . 1 . . . . 12 THR HA . 10311 1 62 . 1 1 12 12 THR HB H 1 3.886 0.030 . 1 . . . . 12 THR HB . 10311 1 63 . 1 1 12 12 THR HG21 H 1 1.167 0.030 . 1 . . . . 12 THR HG2 . 10311 1 64 . 1 1 12 12 THR HG22 H 1 1.167 0.030 . 1 . . . . 12 THR HG2 . 10311 1 65 . 1 1 12 12 THR HG23 H 1 1.167 0.030 . 1 . . . . 12 THR HG2 . 10311 1 66 . 1 1 12 12 THR C C 13 173.848 0.300 . 1 . . . . 12 THR C . 10311 1 67 . 1 1 12 12 THR CA C 13 64.510 0.300 . 1 . . . . 12 THR CA . 10311 1 68 . 1 1 12 12 THR CB C 13 69.339 0.300 . 1 . . . . 12 THR CB . 10311 1 69 . 1 1 12 12 THR CG2 C 13 22.076 0.300 . 1 . . . . 12 THR CG2 . 10311 1 70 . 1 1 12 12 THR N N 15 123.608 0.300 . 1 . . . . 12 THR N . 10311 1 71 . 1 1 13 13 LYS H H 1 7.442 0.030 . 1 . . . . 13 LYS H . 10311 1 72 . 1 1 13 13 LYS HA H 1 4.056 0.030 . 1 . . . . 13 LYS HA . 10311 1 73 . 1 1 13 13 LYS HB2 H 1 1.197 0.030 . 2 . . . . 13 LYS HB2 . 10311 1 74 . 1 1 13 13 LYS HB3 H 1 0.707 0.030 . 2 . . . . 13 LYS HB3 . 10311 1 75 . 1 1 13 13 LYS HD2 H 1 0.696 0.030 . 2 . . . . 13 LYS HD2 . 10311 1 76 . 1 1 13 13 LYS HD3 H 1 -0.482 0.030 . 2 . . . . 13 LYS HD3 . 10311 1 77 . 1 1 13 13 LYS HE2 H 1 1.027 0.030 . 2 . . . . 13 LYS HE2 . 10311 1 78 . 1 1 13 13 LYS HE3 H 1 1.549 0.030 . 2 . . . . 13 LYS HE3 . 10311 1 79 . 1 1 13 13 LYS HG2 H 1 -0.183 0.030 . 2 . . . . 13 LYS HG2 . 10311 1 80 . 1 1 13 13 LYS HG3 H 1 0.706 0.030 . 2 . . . . 13 LYS HG3 . 10311 1 81 . 1 1 13 13 LYS C C 13 171.457 0.300 . 1 . . . . 13 LYS C . 10311 1 82 . 1 1 13 13 LYS CA C 13 56.455 0.300 . 1 . . . . 13 LYS CA . 10311 1 83 . 1 1 13 13 LYS CB C 13 35.188 0.300 . 1 . . . . 13 LYS CB . 10311 1 84 . 1 1 13 13 LYS CD C 13 28.462 0.300 . 1 . . . . 13 LYS CD . 10311 1 85 . 1 1 13 13 LYS CE C 13 40.162 0.300 . 1 . . . . 13 LYS CE . 10311 1 86 . 1 1 13 13 LYS CG C 13 24.975 0.300 . 1 . . . . 13 LYS CG . 10311 1 87 . 1 1 13 13 LYS N N 15 121.090 0.300 . 1 . . . . 13 LYS N . 10311 1 88 . 1 1 14 14 ALA H H 1 8.042 0.030 . 1 . . . . 14 ALA H . 10311 1 89 . 1 1 14 14 ALA HA H 1 5.538 0.030 . 1 . . . . 14 ALA HA . 10311 1 90 . 1 1 14 14 ALA HB1 H 1 1.226 0.030 . 1 . . . . 14 ALA HB . 10311 1 91 . 1 1 14 14 ALA HB2 H 1 1.226 0.030 . 1 . . . . 14 ALA HB . 10311 1 92 . 1 1 14 14 ALA HB3 H 1 1.226 0.030 . 1 . . . . 14 ALA HB . 10311 1 93 . 1 1 14 14 ALA C C 13 176.844 0.300 . 1 . . . . 14 ALA C . 10311 1 94 . 1 1 14 14 ALA CA C 13 50.282 0.300 . 1 . . . . 14 ALA CA . 10311 1 95 . 1 1 14 14 ALA CB C 13 23.227 0.300 . 1 . . . . 14 ALA CB . 10311 1 96 . 1 1 14 14 ALA N N 15 127.135 0.300 . 1 . . . . 14 ALA N . 10311 1 97 . 1 1 15 15 GLY H H 1 8.505 0.030 . 1 . . . . 15 GLY H . 10311 1 98 . 1 1 15 15 GLY HA2 H 1 4.307 0.030 . 2 . . . . 15 GLY HA2 . 10311 1 99 . 1 1 15 15 GLY HA3 H 1 3.347 0.030 . 2 . . . . 15 GLY HA3 . 10311 1 100 . 1 1 15 15 GLY C C 13 171.135 0.300 . 1 . . . . 15 GLY C . 10311 1 101 . 1 1 15 15 GLY CA C 13 45.727 0.300 . 1 . . . . 15 GLY CA . 10311 1 102 . 1 1 15 15 GLY N N 15 110.134 0.300 . 1 . . . . 15 GLY N . 10311 1 103 . 1 1 16 16 TRP H H 1 8.727 0.030 . 1 . . . . 16 TRP H . 10311 1 104 . 1 1 16 16 TRP HA H 1 5.467 0.030 . 1 . . . . 16 TRP HA . 10311 1 105 . 1 1 16 16 TRP HB2 H 1 3.327 0.030 . 2 . . . . 16 TRP HB2 . 10311 1 106 . 1 1 16 16 TRP HB3 H 1 2.987 0.030 . 2 . . . . 16 TRP HB3 . 10311 1 107 . 1 1 16 16 TRP HD1 H 1 7.762 0.030 . 1 . . . . 16 TRP HD1 . 10311 1 108 . 1 1 16 16 TRP HE1 H 1 10.521 0.030 . 1 . . . . 16 TRP HE1 . 10311 1 109 . 1 1 16 16 TRP HE3 H 1 7.598 0.030 . 1 . . . . 16 TRP HE3 . 10311 1 110 . 1 1 16 16 TRP HH2 H 1 7.406 0.030 . 1 . . . . 16 TRP HH2 . 10311 1 111 . 1 1 16 16 TRP HZ2 H 1 7.687 0.030 . 1 . . . . 16 TRP HZ2 . 10311 1 112 . 1 1 16 16 TRP HZ3 H 1 7.107 0.030 . 1 . . . . 16 TRP HZ3 . 10311 1 113 . 1 1 16 16 TRP C C 13 177.882 0.300 . 1 . . . . 16 TRP C . 10311 1 114 . 1 1 16 16 TRP CA C 13 57.123 0.300 . 1 . . . . 16 TRP CA . 10311 1 115 . 1 1 16 16 TRP CB C 13 31.243 0.300 . 1 . . . . 16 TRP CB . 10311 1 116 . 1 1 16 16 TRP CD1 C 13 128.773 0.300 . 1 . . . . 16 TRP CD1 . 10311 1 117 . 1 1 16 16 TRP CE3 C 13 120.756 0.300 . 1 . . . . 16 TRP CE3 . 10311 1 118 . 1 1 16 16 TRP CH2 C 13 124.387 0.300 . 1 . . . . 16 TRP CH2 . 10311 1 119 . 1 1 16 16 TRP CZ2 C 13 115.361 0.300 . 1 . . . . 16 TRP CZ2 . 10311 1 120 . 1 1 16 16 TRP CZ3 C 13 121.813 0.300 . 1 . . . . 16 TRP CZ3 . 10311 1 121 . 1 1 16 16 TRP N N 15 119.681 0.300 . 1 . . . . 16 TRP N . 10311 1 122 . 1 1 16 16 TRP NE1 N 15 130.847 0.300 . 1 . . . . 16 TRP NE1 . 10311 1 123 . 1 1 17 17 LEU H H 1 9.288 0.030 . 1 . . . . 17 LEU H . 10311 1 124 . 1 1 17 17 LEU HA H 1 4.736 0.030 . 1 . . . . 17 LEU HA . 10311 1 125 . 1 1 17 17 LEU HB2 H 1 1.277 0.030 . 2 . . . . 17 LEU HB2 . 10311 1 126 . 1 1 17 17 LEU HB3 H 1 0.847 0.030 . 2 . . . . 17 LEU HB3 . 10311 1 127 . 1 1 17 17 LEU HD11 H 1 -1.286 0.030 . 1 . . . . 17 LEU HD1 . 10311 1 128 . 1 1 17 17 LEU HD12 H 1 -1.286 0.030 . 1 . . . . 17 LEU HD1 . 10311 1 129 . 1 1 17 17 LEU HD13 H 1 -1.286 0.030 . 1 . . . . 17 LEU HD1 . 10311 1 130 . 1 1 17 17 LEU HD21 H 1 0.347 0.030 . 1 . . . . 17 LEU HD2 . 10311 1 131 . 1 1 17 17 LEU HD22 H 1 0.347 0.030 . 1 . . . . 17 LEU HD2 . 10311 1 132 . 1 1 17 17 LEU HD23 H 1 0.347 0.030 . 1 . . . . 17 LEU HD2 . 10311 1 133 . 1 1 17 17 LEU HG H 1 0.749 0.030 . 1 . . . . 17 LEU HG . 10311 1 134 . 1 1 17 17 LEU C C 13 176.116 0.300 . 1 . . . . 17 LEU C . 10311 1 135 . 1 1 17 17 LEU CA C 13 54.661 0.300 . 1 . . . . 17 LEU CA . 10311 1 136 . 1 1 17 17 LEU CB C 13 47.501 0.300 . 1 . . . . 17 LEU CB . 10311 1 137 . 1 1 17 17 LEU CD1 C 13 22.714 0.300 . 2 . . . . 17 LEU CD1 . 10311 1 138 . 1 1 17 17 LEU CD2 C 13 23.677 0.300 . 2 . . . . 17 LEU CD2 . 10311 1 139 . 1 1 17 17 LEU CG C 13 26.234 0.300 . 1 . . . . 17 LEU CG . 10311 1 140 . 1 1 17 17 LEU N N 15 120.839 0.300 . 1 . . . . 17 LEU N . 10311 1 141 . 1 1 18 18 PHE H H 1 9.054 0.030 . 1 . . . . 18 PHE H . 10311 1 142 . 1 1 18 18 PHE HA H 1 5.407 0.030 . 1 . . . . 18 PHE HA . 10311 1 143 . 1 1 18 18 PHE HB2 H 1 3.267 0.030 . 2 . . . . 18 PHE HB2 . 10311 1 144 . 1 1 18 18 PHE HB3 H 1 2.887 0.030 . 2 . . . . 18 PHE HB3 . 10311 1 145 . 1 1 18 18 PHE HD1 H 1 7.124 0.030 . 1 . . . . 18 PHE HD1 . 10311 1 146 . 1 1 18 18 PHE HD2 H 1 7.124 0.030 . 1 . . . . 18 PHE HD2 . 10311 1 147 . 1 1 18 18 PHE HE1 H 1 7.390 0.030 . 1 . . . . 18 PHE HE1 . 10311 1 148 . 1 1 18 18 PHE HE2 H 1 7.390 0.030 . 1 . . . . 18 PHE HE2 . 10311 1 149 . 1 1 18 18 PHE HZ H 1 7.357 0.030 . 1 . . . . 18 PHE HZ . 10311 1 150 . 1 1 18 18 PHE C C 13 175.573 0.300 . 1 . . . . 18 PHE C . 10311 1 151 . 1 1 18 18 PHE CA C 13 57.634 0.300 . 1 . . . . 18 PHE CA . 10311 1 152 . 1 1 18 18 PHE CB C 13 40.785 0.300 . 1 . . . . 18 PHE CB . 10311 1 153 . 1 1 18 18 PHE CD1 C 13 131.768 0.300 . 1 . . . . 18 PHE CD1 . 10311 1 154 . 1 1 18 18 PHE CD2 C 13 131.768 0.300 . 1 . . . . 18 PHE CD2 . 10311 1 155 . 1 1 18 18 PHE CE1 C 13 131.834 0.300 . 1 . . . . 18 PHE CE1 . 10311 1 156 . 1 1 18 18 PHE CE2 C 13 131.834 0.300 . 1 . . . . 18 PHE CE2 . 10311 1 157 . 1 1 18 18 PHE CZ C 13 130.368 0.300 . 1 . . . . 18 PHE CZ . 10311 1 158 . 1 1 18 18 PHE N N 15 118.098 0.300 . 1 . . . . 18 PHE N . 10311 1 159 . 1 1 19 19 LYS H H 1 9.452 0.030 . 1 . . . . 19 LYS H . 10311 1 160 . 1 1 19 19 LYS HA H 1 5.237 0.030 . 1 . . . . 19 LYS HA . 10311 1 161 . 1 1 19 19 LYS HB2 H 1 1.776 0.030 . 1 . . . . 19 LYS HB2 . 10311 1 162 . 1 1 19 19 LYS HB3 H 1 1.776 0.030 . 1 . . . . 19 LYS HB3 . 10311 1 163 . 1 1 19 19 LYS HD2 H 1 1.136 0.030 . 2 . . . . 19 LYS HD2 . 10311 1 164 . 1 1 19 19 LYS HD3 H 1 1.414 0.030 . 2 . . . . 19 LYS HD3 . 10311 1 165 . 1 1 19 19 LYS HE2 H 1 2.635 0.030 . 2 . . . . 19 LYS HE2 . 10311 1 166 . 1 1 19 19 LYS HE3 H 1 2.826 0.030 . 2 . . . . 19 LYS HE3 . 10311 1 167 . 1 1 19 19 LYS HG2 H 1 1.137 0.030 . 2 . . . . 19 LYS HG2 . 10311 1 168 . 1 1 19 19 LYS HG3 H 1 1.371 0.030 . 2 . . . . 19 LYS HG3 . 10311 1 169 . 1 1 19 19 LYS C C 13 175.818 0.300 . 1 . . . . 19 LYS C . 10311 1 170 . 1 1 19 19 LYS CA C 13 54.116 0.300 . 1 . . . . 19 LYS CA . 10311 1 171 . 1 1 19 19 LYS CB C 13 35.969 0.300 . 1 . . . . 19 LYS CB . 10311 1 172 . 1 1 19 19 LYS CD C 13 29.311 0.300 . 1 . . . . 19 LYS CD . 10311 1 173 . 1 1 19 19 LYS CE C 13 41.267 0.300 . 1 . . . . 19 LYS CE . 10311 1 174 . 1 1 19 19 LYS CG C 13 23.521 0.300 . 1 . . . . 19 LYS CG . 10311 1 175 . 1 1 19 19 LYS N N 15 122.911 0.300 . 1 . . . . 19 LYS N . 10311 1 176 . 1 1 20 20 GLN H H 1 8.005 0.030 . 1 . . . . 20 GLN H . 10311 1 177 . 1 1 20 20 GLN HA H 1 3.556 0.030 . 1 . . . . 20 GLN HA . 10311 1 178 . 1 1 20 20 GLN HB2 H 1 1.488 0.030 . 2 . . . . 20 GLN HB2 . 10311 1 179 . 1 1 20 20 GLN HB3 H 1 0.077 0.030 . 2 . . . . 20 GLN HB3 . 10311 1 180 . 1 1 20 20 GLN HE21 H 1 6.539 0.030 . 2 . . . . 20 GLN HE21 . 10311 1 181 . 1 1 20 20 GLN HE22 H 1 6.283 0.030 . 2 . . . . 20 GLN HE22 . 10311 1 182 . 1 1 20 20 GLN HG2 H 1 0.817 0.030 . 2 . . . . 20 GLN HG2 . 10311 1 183 . 1 1 20 20 GLN HG3 H 1 1.732 0.030 . 2 . . . . 20 GLN HG3 . 10311 1 184 . 1 1 20 20 GLN C C 13 175.991 0.300 . 1 . . . . 20 GLN C . 10311 1 185 . 1 1 20 20 GLN CA C 13 56.491 0.300 . 1 . . . . 20 GLN CA . 10311 1 186 . 1 1 20 20 GLN CB C 13 28.817 0.300 . 1 . . . . 20 GLN CB . 10311 1 187 . 1 1 20 20 GLN CG C 13 34.243 0.300 . 1 . . . . 20 GLN CG . 10311 1 188 . 1 1 20 20 GLN N N 15 130.641 0.300 . 1 . . . . 20 GLN N . 10311 1 189 . 1 1 20 20 GLN NE2 N 15 109.869 0.300 . 1 . . . . 20 GLN NE2 . 10311 1 190 . 1 1 21 21 ALA H H 1 8.658 0.030 . 1 . . . . 21 ALA H . 10311 1 191 . 1 1 21 21 ALA HA H 1 4.327 0.030 . 1 . . . . 21 ALA HA . 10311 1 192 . 1 1 21 21 ALA HB1 H 1 1.446 0.030 . 1 . . . . 21 ALA HB . 10311 1 193 . 1 1 21 21 ALA HB2 H 1 1.446 0.030 . 1 . . . . 21 ALA HB . 10311 1 194 . 1 1 21 21 ALA HB3 H 1 1.446 0.030 . 1 . . . . 21 ALA HB . 10311 1 195 . 1 1 21 21 ALA C C 13 177.815 0.300 . 1 . . . . 21 ALA C . 10311 1 196 . 1 1 21 21 ALA CA C 13 53.026 0.300 . 1 . . . . 21 ALA CA . 10311 1 197 . 1 1 21 21 ALA CB C 13 19.939 0.300 . 1 . . . . 21 ALA CB . 10311 1 198 . 1 1 21 21 ALA N N 15 131.679 0.300 . 1 . . . . 21 ALA N . 10311 1 199 . 1 1 23 23 SER HA H 1 4.464 0.030 . 1 . . . . 23 SER HA . 10311 1 200 . 1 1 23 23 SER HB2 H 1 3.906 0.030 . 2 . . . . 23 SER HB2 . 10311 1 201 . 1 1 23 23 SER C C 13 175.045 0.300 . 1 . . . . 23 SER C . 10311 1 202 . 1 1 23 23 SER CA C 13 58.583 0.300 . 1 . . . . 23 SER CA . 10311 1 203 . 1 1 23 23 SER CB C 13 63.673 0.300 . 1 . . . . 23 SER CB . 10311 1 204 . 1 1 24 24 GLY H H 1 8.438 0.030 . 1 . . . . 24 GLY H . 10311 1 205 . 1 1 24 24 GLY HA2 H 1 4.067 0.030 . 2 . . . . 24 GLY HA2 . 10311 1 206 . 1 1 24 24 GLY HA3 H 1 3.759 0.030 . 2 . . . . 24 GLY HA3 . 10311 1 207 . 1 1 24 24 GLY C C 13 174.422 0.300 . 1 . . . . 24 GLY C . 10311 1 208 . 1 1 24 24 GLY CA C 13 45.516 0.300 . 1 . . . . 24 GLY CA . 10311 1 209 . 1 1 24 24 GLY N N 15 110.838 0.300 . 1 . . . . 24 GLY N . 10311 1 210 . 1 1 25 25 VAL H H 1 7.946 0.030 . 1 . . . . 25 VAL H . 10311 1 211 . 1 1 25 25 VAL HA H 1 4.019 0.030 . 1 . . . . 25 VAL HA . 10311 1 212 . 1 1 25 25 VAL HB H 1 2.107 0.030 . 1 . . . . 25 VAL HB . 10311 1 213 . 1 1 25 25 VAL HG11 H 1 0.897 0.030 . 1 . . . . 25 VAL HG1 . 10311 1 214 . 1 1 25 25 VAL HG12 H 1 0.897 0.030 . 1 . . . . 25 VAL HG1 . 10311 1 215 . 1 1 25 25 VAL HG13 H 1 0.897 0.030 . 1 . . . . 25 VAL HG1 . 10311 1 216 . 1 1 25 25 VAL HG21 H 1 0.907 0.030 . 1 . . . . 25 VAL HG2 . 10311 1 217 . 1 1 25 25 VAL HG22 H 1 0.907 0.030 . 1 . . . . 25 VAL HG2 . 10311 1 218 . 1 1 25 25 VAL HG23 H 1 0.907 0.030 . 1 . . . . 25 VAL HG2 . 10311 1 219 . 1 1 25 25 VAL C C 13 176.357 0.300 . 1 . . . . 25 VAL C . 10311 1 220 . 1 1 25 25 VAL CA C 13 62.312 0.300 . 1 . . . . 25 VAL CA . 10311 1 221 . 1 1 25 25 VAL CB C 13 32.066 0.300 . 1 . . . . 25 VAL CB . 10311 1 222 . 1 1 25 25 VAL CG1 C 13 21.122 0.300 . 2 . . . . 25 VAL CG1 . 10311 1 223 . 1 1 25 25 VAL CG2 C 13 20.164 0.300 . 2 . . . . 25 VAL CG2 . 10311 1 224 . 1 1 25 25 VAL N N 15 119.277 0.300 . 1 . . . . 25 VAL N . 10311 1 225 . 1 1 26 26 LYS H H 1 8.391 0.030 . 1 . . . . 26 LYS H . 10311 1 226 . 1 1 26 26 LYS HA H 1 4.020 0.030 . 1 . . . . 26 LYS HA . 10311 1 227 . 1 1 26 26 LYS HB2 H 1 1.757 0.030 . 2 . . . . 26 LYS HB2 . 10311 1 228 . 1 1 26 26 LYS HB3 H 1 1.696 0.030 . 2 . . . . 26 LYS HB3 . 10311 1 229 . 1 1 26 26 LYS HD2 H 1 1.578 0.030 . 1 . . . . 26 LYS HD2 . 10311 1 230 . 1 1 26 26 LYS HD3 H 1 1.578 0.030 . 1 . . . . 26 LYS HD3 . 10311 1 231 . 1 1 26 26 LYS HE2 H 1 2.915 0.030 . 1 . . . . 26 LYS HE2 . 10311 1 232 . 1 1 26 26 LYS HE3 H 1 2.915 0.030 . 1 . . . . 26 LYS HE3 . 10311 1 233 . 1 1 26 26 LYS HG2 H 1 1.345 0.030 . 2 . . . . 26 LYS HG2 . 10311 1 234 . 1 1 26 26 LYS HG3 H 1 1.223 0.030 . 2 . . . . 26 LYS HG3 . 10311 1 235 . 1 1 26 26 LYS C C 13 175.566 0.300 . 1 . . . . 26 LYS C . 10311 1 236 . 1 1 26 26 LYS CA C 13 56.807 0.300 . 1 . . . . 26 LYS CA . 10311 1 237 . 1 1 26 26 LYS CB C 13 30.667 0.300 . 1 . . . . 26 LYS CB . 10311 1 238 . 1 1 26 26 LYS CD C 13 29.228 0.300 . 1 . . . . 26 LYS CD . 10311 1 239 . 1 1 26 26 LYS CE C 13 42.299 0.300 . 1 . . . . 26 LYS CE . 10311 1 240 . 1 1 26 26 LYS CG C 13 24.908 0.300 . 1 . . . . 26 LYS CG . 10311 1 241 . 1 1 26 26 LYS N N 15 123.277 0.300 . 1 . . . . 26 LYS N . 10311 1 242 . 1 1 27 27 GLN H H 1 7.801 0.030 . 1 . . . . 27 GLN H . 10311 1 243 . 1 1 27 27 GLN HA H 1 4.488 0.030 . 1 . . . . 27 GLN HA . 10311 1 244 . 1 1 27 27 GLN HB2 H 1 1.973 0.030 . 1 . . . . 27 GLN HB2 . 10311 1 245 . 1 1 27 27 GLN HB3 H 1 1.973 0.030 . 1 . . . . 27 GLN HB3 . 10311 1 246 . 1 1 27 27 GLN HE21 H 1 7.617 0.030 . 2 . . . . 27 GLN HE21 . 10311 1 247 . 1 1 27 27 GLN HE22 H 1 6.899 0.030 . 2 . . . . 27 GLN HE22 . 10311 1 248 . 1 1 27 27 GLN HG2 H 1 2.257 0.030 . 1 . . . . 27 GLN HG2 . 10311 1 249 . 1 1 27 27 GLN HG3 H 1 2.257 0.030 . 1 . . . . 27 GLN HG3 . 10311 1 250 . 1 1 27 27 GLN C C 13 174.191 0.300 . 1 . . . . 27 GLN C . 10311 1 251 . 1 1 27 27 GLN CA C 13 55.347 0.300 . 1 . . . . 27 GLN CA . 10311 1 252 . 1 1 27 27 GLN CB C 13 30.667 0.300 . 1 . . . . 27 GLN CB . 10311 1 253 . 1 1 27 27 GLN CG C 13 33.468 0.300 . 1 . . . . 27 GLN CG . 10311 1 254 . 1 1 27 27 GLN N N 15 120.443 0.300 . 1 . . . . 27 GLN N . 10311 1 255 . 1 1 27 27 GLN NE2 N 15 112.539 0.300 . 1 . . . . 27 GLN NE2 . 10311 1 256 . 1 1 28 28 TRP H H 1 8.807 0.030 . 1 . . . . 28 TRP H . 10311 1 257 . 1 1 28 28 TRP HA H 1 4.897 0.030 . 1 . . . . 28 TRP HA . 10311 1 258 . 1 1 28 28 TRP HB2 H 1 2.987 0.030 . 1 . . . . 28 TRP HB2 . 10311 1 259 . 1 1 28 28 TRP HB3 H 1 2.987 0.030 . 1 . . . . 28 TRP HB3 . 10311 1 260 . 1 1 28 28 TRP HD1 H 1 7.219 0.030 . 1 . . . . 28 TRP HD1 . 10311 1 261 . 1 1 28 28 TRP HE1 H 1 10.130 0.030 . 1 . . . . 28 TRP HE1 . 10311 1 262 . 1 1 28 28 TRP HE3 H 1 7.028 0.030 . 1 . . . . 28 TRP HE3 . 10311 1 263 . 1 1 28 28 TRP HH2 H 1 6.738 0.030 . 1 . . . . 28 TRP HH2 . 10311 1 264 . 1 1 28 28 TRP HZ2 H 1 7.238 0.030 . 1 . . . . 28 TRP HZ2 . 10311 1 265 . 1 1 28 28 TRP HZ3 H 1 6.555 0.030 . 1 . . . . 28 TRP HZ3 . 10311 1 266 . 1 1 28 28 TRP C C 13 175.465 0.300 . 1 . . . . 28 TRP C . 10311 1 267 . 1 1 28 28 TRP CA C 13 56.104 0.300 . 1 . . . . 28 TRP CA . 10311 1 268 . 1 1 28 28 TRP CB C 13 30.708 0.300 . 1 . . . . 28 TRP CB . 10311 1 269 . 1 1 28 28 TRP CD1 C 13 127.814 0.300 . 1 . . . . 28 TRP CD1 . 10311 1 270 . 1 1 28 28 TRP CE3 C 13 119.469 0.300 . 1 . . . . 28 TRP CE3 . 10311 1 271 . 1 1 28 28 TRP CH2 C 13 123.604 0.300 . 1 . . . . 28 TRP CH2 . 10311 1 272 . 1 1 28 28 TRP CZ2 C 13 114.403 0.300 . 1 . . . . 28 TRP CZ2 . 10311 1 273 . 1 1 28 28 TRP CZ3 C 13 121.853 0.300 . 1 . . . . 28 TRP CZ3 . 10311 1 274 . 1 1 28 28 TRP N N 15 123.061 0.300 . 1 . . . . 28 TRP N . 10311 1 275 . 1 1 28 28 TRP NE1 N 15 130.487 0.300 . 1 . . . . 28 TRP NE1 . 10311 1 276 . 1 1 29 29 ASN H H 1 8.899 0.030 . 1 . . . . 29 ASN H . 10311 1 277 . 1 1 29 29 ASN HA H 1 5.327 0.030 . 1 . . . . 29 ASN HA . 10311 1 278 . 1 1 29 29 ASN HB2 H 1 2.797 0.030 . 2 . . . . 29 ASN HB2 . 10311 1 279 . 1 1 29 29 ASN HB3 H 1 2.506 0.030 . 2 . . . . 29 ASN HB3 . 10311 1 280 . 1 1 29 29 ASN HD21 H 1 7.928 0.030 . 2 . . . . 29 ASN HD21 . 10311 1 281 . 1 1 29 29 ASN HD22 H 1 7.180 0.030 . 2 . . . . 29 ASN HD22 . 10311 1 282 . 1 1 29 29 ASN C C 13 173.809 0.300 . 1 . . . . 29 ASN C . 10311 1 283 . 1 1 29 29 ASN CA C 13 52.252 0.300 . 1 . . . . 29 ASN CA . 10311 1 284 . 1 1 29 29 ASN CB C 13 41.495 0.300 . 1 . . . . 29 ASN CB . 10311 1 285 . 1 1 29 29 ASN N N 15 120.289 0.300 . 1 . . . . 29 ASN N . 10311 1 286 . 1 1 29 29 ASN ND2 N 15 114.207 0.300 . 1 . . . . 29 ASN ND2 . 10311 1 287 . 1 1 30 30 LYS H H 1 9.298 0.030 . 1 . . . . 30 LYS H . 10311 1 288 . 1 1 30 30 LYS HA H 1 4.205 0.030 . 1 . . . . 30 LYS HA . 10311 1 289 . 1 1 30 30 LYS HB2 H 1 1.633 0.030 . 2 . . . . 30 LYS HB2 . 10311 1 290 . 1 1 30 30 LYS HB3 H 1 1.007 0.030 . 2 . . . . 30 LYS HB3 . 10311 1 291 . 1 1 30 30 LYS HD2 H 1 1.167 0.030 . 2 . . . . 30 LYS HD2 . 10311 1 292 . 1 1 30 30 LYS HD3 H 1 1.061 0.030 . 2 . . . . 30 LYS HD3 . 10311 1 293 . 1 1 30 30 LYS HE2 H 1 2.125 0.030 . 2 . . . . 30 LYS HE2 . 10311 1 294 . 1 1 30 30 LYS HE3 H 1 1.911 0.030 . 2 . . . . 30 LYS HE3 . 10311 1 295 . 1 1 30 30 LYS HG2 H 1 0.306 0.030 . 2 . . . . 30 LYS HG2 . 10311 1 296 . 1 1 30 30 LYS HG3 H 1 1.173 0.030 . 2 . . . . 30 LYS HG3 . 10311 1 297 . 1 1 30 30 LYS C C 13 176.312 0.300 . 1 . . . . 30 LYS C . 10311 1 298 . 1 1 30 30 LYS CA C 13 57.176 0.300 . 1 . . . . 30 LYS CA . 10311 1 299 . 1 1 30 30 LYS CB C 13 32.558 0.300 . 1 . . . . 30 LYS CB . 10311 1 300 . 1 1 30 30 LYS CD C 13 29.298 0.300 . 1 . . . . 30 LYS CD . 10311 1 301 . 1 1 30 30 LYS CE C 13 41.156 0.300 . 1 . . . . 30 LYS CE . 10311 1 302 . 1 1 30 30 LYS CG C 13 25.757 0.300 . 1 . . . . 30 LYS CG . 10311 1 303 . 1 1 30 30 LYS N N 15 128.070 0.300 . 1 . . . . 30 LYS N . 10311 1 304 . 1 1 31 31 ARG H H 1 9.446 0.030 . 1 . . . . 31 ARG H . 10311 1 305 . 1 1 31 31 ARG HA H 1 5.065 0.030 . 1 . . . . 31 ARG HA . 10311 1 306 . 1 1 31 31 ARG HB2 H 1 1.886 0.030 . 2 . . . . 31 ARG HB2 . 10311 1 307 . 1 1 31 31 ARG HB3 H 1 1.997 0.030 . 2 . . . . 31 ARG HB3 . 10311 1 308 . 1 1 31 31 ARG HD2 H 1 2.942 0.030 . 2 . . . . 31 ARG HD2 . 10311 1 309 . 1 1 31 31 ARG HD3 H 1 3.737 0.030 . 2 . . . . 31 ARG HD3 . 10311 1 310 . 1 1 31 31 ARG HG2 H 1 1.654 0.030 . 2 . . . . 31 ARG HG2 . 10311 1 311 . 1 1 31 31 ARG HG3 H 1 1.532 0.030 . 2 . . . . 31 ARG HG3 . 10311 1 312 . 1 1 31 31 ARG C C 13 172.446 0.300 . 1 . . . . 31 ARG C . 10311 1 313 . 1 1 31 31 ARG CA C 13 53.431 0.300 . 1 . . . . 31 ARG CA . 10311 1 314 . 1 1 31 31 ARG CB C 13 34.186 0.300 . 1 . . . . 31 ARG CB . 10311 1 315 . 1 1 31 31 ARG CD C 13 43.697 0.300 . 1 . . . . 31 ARG CD . 10311 1 316 . 1 1 31 31 ARG CG C 13 26.633 0.300 . 1 . . . . 31 ARG CG . 10311 1 317 . 1 1 31 31 ARG N N 15 127.717 0.300 . 1 . . . . 31 ARG N . 10311 1 318 . 1 1 32 32 TRP H H 1 8.071 0.030 . 1 . . . . 32 TRP H . 10311 1 319 . 1 1 32 32 TRP HA H 1 4.409 0.030 . 1 . . . . 32 TRP HA . 10311 1 320 . 1 1 32 32 TRP HB2 H 1 2.447 0.030 . 2 . . . . 32 TRP HB2 . 10311 1 321 . 1 1 32 32 TRP HB3 H 1 1.627 0.030 . 2 . . . . 32 TRP HB3 . 10311 1 322 . 1 1 32 32 TRP HD1 H 1 6.390 0.030 . 1 . . . . 32 TRP HD1 . 10311 1 323 . 1 1 32 32 TRP HE1 H 1 10.657 0.030 . 1 . . . . 32 TRP HE1 . 10311 1 324 . 1 1 32 32 TRP HE3 H 1 5.127 0.030 . 1 . . . . 32 TRP HE3 . 10311 1 325 . 1 1 32 32 TRP HH2 H 1 6.955 0.030 . 1 . . . . 32 TRP HH2 . 10311 1 326 . 1 1 32 32 TRP HZ2 H 1 7.135 0.030 . 1 . . . . 32 TRP HZ2 . 10311 1 327 . 1 1 32 32 TRP HZ3 H 1 6.565 0.030 . 1 . . . . 32 TRP HZ3 . 10311 1 328 . 1 1 32 32 TRP C C 13 174.384 0.300 . 1 . . . . 32 TRP C . 10311 1 329 . 1 1 32 32 TRP CA C 13 56.068 0.300 . 1 . . . . 32 TRP CA . 10311 1 330 . 1 1 32 32 TRP CB C 13 29.763 0.300 . 1 . . . . 32 TRP CB . 10311 1 331 . 1 1 32 32 TRP CD1 C 13 127.223 0.300 . 1 . . . . 32 TRP CD1 . 10311 1 332 . 1 1 32 32 TRP CE3 C 13 119.326 0.300 . 1 . . . . 32 TRP CE3 . 10311 1 333 . 1 1 32 32 TRP CH2 C 13 123.264 0.300 . 1 . . . . 32 TRP CH2 . 10311 1 334 . 1 1 32 32 TRP CZ2 C 13 114.608 0.300 . 1 . . . . 32 TRP CZ2 . 10311 1 335 . 1 1 32 32 TRP CZ3 C 13 121.306 0.300 . 1 . . . . 32 TRP CZ3 . 10311 1 336 . 1 1 32 32 TRP N N 15 123.936 0.300 . 1 . . . . 32 TRP N . 10311 1 337 . 1 1 32 32 TRP NE1 N 15 130.491 0.300 . 1 . . . . 32 TRP NE1 . 10311 1 338 . 1 1 33 33 PHE H H 1 8.706 0.030 . 1 . . . . 33 PHE H . 10311 1 339 . 1 1 33 33 PHE HA H 1 5.086 0.030 . 1 . . . . 33 PHE HA . 10311 1 340 . 1 1 33 33 PHE HB2 H 1 2.700 0.030 . 2 . . . . 33 PHE HB2 . 10311 1 341 . 1 1 33 33 PHE HB3 H 1 2.296 0.030 . 2 . . . . 33 PHE HB3 . 10311 1 342 . 1 1 33 33 PHE HD1 H 1 6.971 0.030 . 1 . . . . 33 PHE HD1 . 10311 1 343 . 1 1 33 33 PHE HD2 H 1 6.971 0.030 . 1 . . . . 33 PHE HD2 . 10311 1 344 . 1 1 33 33 PHE HE1 H 1 6.767 0.030 . 1 . . . . 33 PHE HE1 . 10311 1 345 . 1 1 33 33 PHE HE2 H 1 6.767 0.030 . 1 . . . . 33 PHE HE2 . 10311 1 346 . 1 1 33 33 PHE HZ H 1 6.413 0.030 . 1 . . . . 33 PHE HZ . 10311 1 347 . 1 1 33 33 PHE C C 13 174.554 0.300 . 1 . . . . 33 PHE C . 10311 1 348 . 1 1 33 33 PHE CA C 13 56.982 0.300 . 1 . . . . 33 PHE CA . 10311 1 349 . 1 1 33 33 PHE CB C 13 42.833 0.300 . 1 . . . . 33 PHE CB . 10311 1 350 . 1 1 33 33 PHE CD1 C 13 132.151 0.300 . 1 . . . . 33 PHE CD1 . 10311 1 351 . 1 1 33 33 PHE CD2 C 13 132.151 0.300 . 1 . . . . 33 PHE CD2 . 10311 1 352 . 1 1 33 33 PHE CE1 C 13 130.969 0.300 . 1 . . . . 33 PHE CE1 . 10311 1 353 . 1 1 33 33 PHE CE2 C 13 130.969 0.300 . 1 . . . . 33 PHE CE2 . 10311 1 354 . 1 1 33 33 PHE CZ C 13 127.245 0.300 . 1 . . . . 33 PHE CZ . 10311 1 355 . 1 1 33 33 PHE N N 15 127.478 0.300 . 1 . . . . 33 PHE N . 10311 1 356 . 1 1 34 34 VAL H H 1 9.159 0.030 . 1 . . . . 34 VAL H . 10311 1 357 . 1 1 34 34 VAL HA H 1 4.527 0.030 . 1 . . . . 34 VAL HA . 10311 1 358 . 1 1 34 34 VAL HB H 1 2.186 0.030 . 1 . . . . 34 VAL HB . 10311 1 359 . 1 1 34 34 VAL HG11 H 1 1.017 0.030 . 1 . . . . 34 VAL HG1 . 10311 1 360 . 1 1 34 34 VAL HG12 H 1 1.017 0.030 . 1 . . . . 34 VAL HG1 . 10311 1 361 . 1 1 34 34 VAL HG13 H 1 1.017 0.030 . 1 . . . . 34 VAL HG1 . 10311 1 362 . 1 1 34 34 VAL HG21 H 1 0.895 0.030 . 1 . . . . 34 VAL HG2 . 10311 1 363 . 1 1 34 34 VAL HG22 H 1 0.895 0.030 . 1 . . . . 34 VAL HG2 . 10311 1 364 . 1 1 34 34 VAL HG23 H 1 0.895 0.030 . 1 . . . . 34 VAL HG2 . 10311 1 365 . 1 1 34 34 VAL C C 13 174.420 0.300 . 1 . . . . 34 VAL C . 10311 1 366 . 1 1 34 34 VAL CA C 13 61.908 0.300 . 1 . . . . 34 VAL CA . 10311 1 367 . 1 1 34 34 VAL CB C 13 36.293 0.300 . 1 . . . . 34 VAL CB . 10311 1 368 . 1 1 34 34 VAL CG1 C 13 22.499 0.300 . 2 . . . . 34 VAL CG1 . 10311 1 369 . 1 1 34 34 VAL CG2 C 13 22.140 0.300 . 2 . . . . 34 VAL CG2 . 10311 1 370 . 1 1 34 34 VAL N N 15 118.212 0.300 . 1 . . . . 34 VAL N . 10311 1 371 . 1 1 35 35 LEU H H 1 9.339 0.030 . 1 . . . . 35 LEU H . 10311 1 372 . 1 1 35 35 LEU HA H 1 5.333 0.030 . 1 . . . . 35 LEU HA . 10311 1 373 . 1 1 35 35 LEU HB2 H 1 2.037 0.030 . 2 . . . . 35 LEU HB2 . 10311 1 374 . 1 1 35 35 LEU HB3 H 1 1.378 0.030 . 2 . . . . 35 LEU HB3 . 10311 1 375 . 1 1 35 35 LEU HD11 H 1 0.667 0.030 . 1 . . . . 35 LEU HD1 . 10311 1 376 . 1 1 35 35 LEU HD12 H 1 0.667 0.030 . 1 . . . . 35 LEU HD1 . 10311 1 377 . 1 1 35 35 LEU HD13 H 1 0.667 0.030 . 1 . . . . 35 LEU HD1 . 10311 1 378 . 1 1 35 35 LEU HD21 H 1 0.707 0.030 . 1 . . . . 35 LEU HD2 . 10311 1 379 . 1 1 35 35 LEU HD22 H 1 0.707 0.030 . 1 . . . . 35 LEU HD2 . 10311 1 380 . 1 1 35 35 LEU HD23 H 1 0.707 0.030 . 1 . . . . 35 LEU HD2 . 10311 1 381 . 1 1 35 35 LEU HG H 1 1.501 0.030 . 1 . . . . 35 LEU HG . 10311 1 382 . 1 1 35 35 LEU C C 13 174.553 0.300 . 1 . . . . 35 LEU C . 10311 1 383 . 1 1 35 35 LEU CA C 13 53.694 0.300 . 1 . . . . 35 LEU CA . 10311 1 384 . 1 1 35 35 LEU CB C 13 44.566 0.300 . 1 . . . . 35 LEU CB . 10311 1 385 . 1 1 35 35 LEU CD1 C 13 23.861 0.300 . 2 . . . . 35 LEU CD1 . 10311 1 386 . 1 1 35 35 LEU CD2 C 13 27.092 0.300 . 2 . . . . 35 LEU CD2 . 10311 1 387 . 1 1 35 35 LEU CG C 13 27.717 0.300 . 1 . . . . 35 LEU CG . 10311 1 388 . 1 1 35 35 LEU N N 15 129.793 0.300 . 1 . . . . 35 LEU N . 10311 1 389 . 1 1 36 36 VAL H H 1 8.914 0.030 . 1 . . . . 36 VAL H . 10311 1 390 . 1 1 36 36 VAL HA H 1 4.510 0.030 . 1 . . . . 36 VAL HA . 10311 1 391 . 1 1 36 36 VAL HB H 1 2.177 0.030 . 1 . . . . 36 VAL HB . 10311 1 392 . 1 1 36 36 VAL HG11 H 1 1.007 0.030 . 1 . . . . 36 VAL HG1 . 10311 1 393 . 1 1 36 36 VAL HG12 H 1 1.007 0.030 . 1 . . . . 36 VAL HG1 . 10311 1 394 . 1 1 36 36 VAL HG13 H 1 1.007 0.030 . 1 . . . . 36 VAL HG1 . 10311 1 395 . 1 1 36 36 VAL HG21 H 1 0.981 0.030 . 1 . . . . 36 VAL HG2 . 10311 1 396 . 1 1 36 36 VAL HG22 H 1 0.981 0.030 . 1 . . . . 36 VAL HG2 . 10311 1 397 . 1 1 36 36 VAL HG23 H 1 0.981 0.030 . 1 . . . . 36 VAL HG2 . 10311 1 398 . 1 1 36 36 VAL CA C 13 61.148 0.300 . 1 . . . . 36 VAL CA . 10311 1 399 . 1 1 36 36 VAL CB C 13 34.274 0.300 . 1 . . . . 36 VAL CB . 10311 1 400 . 1 1 36 36 VAL CG1 C 13 21.609 0.300 . 2 . . . . 36 VAL CG1 . 10311 1 401 . 1 1 36 36 VAL CG2 C 13 20.491 0.300 . 2 . . . . 36 VAL CG2 . 10311 1 402 . 1 1 36 36 VAL N N 15 127.092 0.300 . 1 . . . . 36 VAL N . 10311 1 403 . 1 1 37 37 ASP H H 1 9.462 0.030 . 1 . . . . 37 ASP H . 10311 1 404 . 1 1 37 37 ASP HA H 1 4.202 0.030 . 1 . . . . 37 ASP HA . 10311 1 405 . 1 1 37 37 ASP HB2 H 1 2.642 0.030 . 2 . . . . 37 ASP HB2 . 10311 1 406 . 1 1 37 37 ASP HB3 H 1 3.110 0.030 . 2 . . . . 37 ASP HB3 . 10311 1 407 . 1 1 37 37 ASP CA C 13 56.263 0.300 . 1 . . . . 37 ASP CA . 10311 1 408 . 1 1 37 37 ASP CB C 13 39.697 0.300 . 1 . . . . 37 ASP CB . 10311 1 409 . 1 1 37 37 ASP N N 15 128.387 0.300 . 1 . . . . 37 ASP N . 10311 1 410 . 1 1 38 38 ARG H H 1 8.519 0.030 . 1 . . . . 38 ARG H . 10311 1 411 . 1 1 38 38 ARG HA H 1 4.157 0.030 . 1 . . . . 38 ARG HA . 10311 1 412 . 1 1 38 38 ARG HB2 H 1 2.126 0.030 . 2 . . . . 38 ARG HB2 . 10311 1 413 . 1 1 38 38 ARG HD2 H 1 3.240 0.030 . 1 . . . . 38 ARG HD2 . 10311 1 414 . 1 1 38 38 ARG HD3 H 1 3.240 0.030 . 1 . . . . 38 ARG HD3 . 10311 1 415 . 1 1 38 38 ARG HG2 H 1 1.657 0.030 . 2 . . . . 38 ARG HG2 . 10311 1 416 . 1 1 38 38 ARG HG3 H 1 1.617 0.030 . 2 . . . . 38 ARG HG3 . 10311 1 417 . 1 1 38 38 ARG C C 13 174.374 0.300 . 1 . . . . 38 ARG C . 10311 1 418 . 1 1 38 38 ARG CD C 13 43.988 0.300 . 1 . . . . 38 ARG CD . 10311 1 419 . 1 1 38 38 ARG CG C 13 28.042 0.300 . 1 . . . . 38 ARG CG . 10311 1 420 . 1 1 39 39 CYS H H 1 8.219 0.030 . 1 . . . . 39 CYS H . 10311 1 421 . 1 1 39 39 CYS HA H 1 4.706 0.030 . 1 . . . . 39 CYS HA . 10311 1 422 . 1 1 39 39 CYS HB2 H 1 2.618 0.030 . 1 . . . . 39 CYS HB2 . 10311 1 423 . 1 1 39 39 CYS HB3 H 1 2.618 0.030 . 1 . . . . 39 CYS HB3 . 10311 1 424 . 1 1 39 39 CYS C C 13 170.860 0.300 . 1 . . . . 39 CYS C . 10311 1 425 . 1 1 39 39 CYS CA C 13 57.735 0.300 . 1 . . . . 39 CYS CA . 10311 1 426 . 1 1 39 39 CYS CB C 13 29.877 0.300 . 1 . . . . 39 CYS CB . 10311 1 427 . 1 1 39 39 CYS N N 15 120.342 0.300 . 1 . . . . 39 CYS N . 10311 1 428 . 1 1 40 40 LEU H H 1 8.099 0.030 . 1 . . . . 40 LEU H . 10311 1 429 . 1 1 40 40 LEU HA H 1 5.037 0.030 . 1 . . . . 40 LEU HA . 10311 1 430 . 1 1 40 40 LEU HB2 H 1 1.807 0.030 . 2 . . . . 40 LEU HB2 . 10311 1 431 . 1 1 40 40 LEU HB3 H 1 1.327 0.030 . 2 . . . . 40 LEU HB3 . 10311 1 432 . 1 1 40 40 LEU HD11 H 1 0.817 0.030 . 1 . . . . 40 LEU HD1 . 10311 1 433 . 1 1 40 40 LEU HD12 H 1 0.817 0.030 . 1 . . . . 40 LEU HD1 . 10311 1 434 . 1 1 40 40 LEU HD13 H 1 0.817 0.030 . 1 . . . . 40 LEU HD1 . 10311 1 435 . 1 1 40 40 LEU HD21 H 1 0.607 0.030 . 1 . . . . 40 LEU HD2 . 10311 1 436 . 1 1 40 40 LEU HD22 H 1 0.607 0.030 . 1 . . . . 40 LEU HD2 . 10311 1 437 . 1 1 40 40 LEU HD23 H 1 0.607 0.030 . 1 . . . . 40 LEU HD2 . 10311 1 438 . 1 1 40 40 LEU HG H 1 1.537 0.030 . 1 . . . . 40 LEU HG . 10311 1 439 . 1 1 40 40 LEU C C 13 175.010 0.300 . 1 . . . . 40 LEU C . 10311 1 440 . 1 1 40 40 LEU CA C 13 52.938 0.300 . 1 . . . . 40 LEU CA . 10311 1 441 . 1 1 40 40 LEU CB C 13 44.725 0.300 . 1 . . . . 40 LEU CB . 10311 1 442 . 1 1 40 40 LEU CD1 C 13 25.063 0.300 . 2 . . . . 40 LEU CD1 . 10311 1 443 . 1 1 40 40 LEU CD2 C 13 25.654 0.300 . 2 . . . . 40 LEU CD2 . 10311 1 444 . 1 1 40 40 LEU CG C 13 26.572 0.300 . 1 . . . . 40 LEU CG . 10311 1 445 . 1 1 40 40 LEU N N 15 127.471 0.300 . 1 . . . . 40 LEU N . 10311 1 446 . 1 1 41 41 PHE H H 1 9.643 0.030 . 1 . . . . 41 PHE H . 10311 1 447 . 1 1 41 41 PHE HA H 1 4.861 0.030 . 1 . . . . 41 PHE HA . 10311 1 448 . 1 1 41 41 PHE HB2 H 1 3.137 0.030 . 2 . . . . 41 PHE HB2 . 10311 1 449 . 1 1 41 41 PHE HB3 H 1 2.707 0.030 . 2 . . . . 41 PHE HB3 . 10311 1 450 . 1 1 41 41 PHE HD1 H 1 7.235 0.030 . 1 . . . . 41 PHE HD1 . 10311 1 451 . 1 1 41 41 PHE HD2 H 1 7.235 0.030 . 1 . . . . 41 PHE HD2 . 10311 1 452 . 1 1 41 41 PHE HE1 H 1 7.367 0.030 . 1 . . . . 41 PHE HE1 . 10311 1 453 . 1 1 41 41 PHE HE2 H 1 7.367 0.030 . 1 . . . . 41 PHE HE2 . 10311 1 454 . 1 1 41 41 PHE HZ H 1 7.297 0.030 . 1 . . . . 41 PHE HZ . 10311 1 455 . 1 1 41 41 PHE C C 13 174.782 0.300 . 1 . . . . 41 PHE C . 10311 1 456 . 1 1 41 41 PHE CA C 13 57.141 0.300 . 1 . . . . 41 PHE CA . 10311 1 457 . 1 1 41 41 PHE CB C 13 42.546 0.300 . 1 . . . . 41 PHE CB . 10311 1 458 . 1 1 41 41 PHE CD1 C 13 132.317 0.300 . 1 . . . . 41 PHE CD1 . 10311 1 459 . 1 1 41 41 PHE CD2 C 13 132.317 0.300 . 1 . . . . 41 PHE CD2 . 10311 1 460 . 1 1 41 41 PHE CE1 C 13 131.161 0.300 . 1 . . . . 41 PHE CE1 . 10311 1 461 . 1 1 41 41 PHE CE2 C 13 131.161 0.300 . 1 . . . . 41 PHE CE2 . 10311 1 462 . 1 1 41 41 PHE CZ C 13 130.333 0.300 . 1 . . . . 41 PHE CZ . 10311 1 463 . 1 1 41 41 PHE N N 15 125.789 0.300 . 1 . . . . 41 PHE N . 10311 1 464 . 1 1 42 42 TYR H H 1 7.626 0.030 . 1 . . . . 42 TYR H . 10311 1 465 . 1 1 42 42 TYR HA H 1 5.687 0.030 . 1 . . . . 42 TYR HA . 10311 1 466 . 1 1 42 42 TYR HB2 H 1 1.657 0.030 . 2 . . . . 42 TYR HB2 . 10311 1 467 . 1 1 42 42 TYR HB3 H 1 1.527 0.030 . 2 . . . . 42 TYR HB3 . 10311 1 468 . 1 1 42 42 TYR HD1 H 1 6.297 0.030 . 1 . . . . 42 TYR HD1 . 10311 1 469 . 1 1 42 42 TYR HD2 H 1 6.297 0.030 . 1 . . . . 42 TYR HD2 . 10311 1 470 . 1 1 42 42 TYR HE1 H 1 6.507 0.030 . 1 . . . . 42 TYR HE1 . 10311 1 471 . 1 1 42 42 TYR HE2 H 1 6.507 0.030 . 1 . . . . 42 TYR HE2 . 10311 1 472 . 1 1 42 42 TYR C C 13 173.569 0.300 . 1 . . . . 42 TYR C . 10311 1 473 . 1 1 42 42 TYR CA C 13 55.083 0.300 . 1 . . . . 42 TYR CA . 10311 1 474 . 1 1 42 42 TYR CB C 13 39.427 0.300 . 1 . . . . 42 TYR CB . 10311 1 475 . 1 1 42 42 TYR CD1 C 13 133.482 0.300 . 1 . . . . 42 TYR CD1 . 10311 1 476 . 1 1 42 42 TYR CD2 C 13 133.482 0.300 . 1 . . . . 42 TYR CD2 . 10311 1 477 . 1 1 42 42 TYR CE1 C 13 117.095 0.300 . 1 . . . . 42 TYR CE1 . 10311 1 478 . 1 1 42 42 TYR CE2 C 13 117.095 0.300 . 1 . . . . 42 TYR CE2 . 10311 1 479 . 1 1 42 42 TYR N N 15 113.629 0.300 . 1 . . . . 42 TYR N . 10311 1 480 . 1 1 43 43 TYR H H 1 9.208 0.030 . 1 . . . . 43 TYR H . 10311 1 481 . 1 1 43 43 TYR HA H 1 4.872 0.030 . 1 . . . . 43 TYR HA . 10311 1 482 . 1 1 43 43 TYR HB2 H 1 3.066 0.030 . 2 . . . . 43 TYR HB2 . 10311 1 483 . 1 1 43 43 TYR HB3 H 1 3.467 0.030 . 2 . . . . 43 TYR HB3 . 10311 1 484 . 1 1 43 43 TYR HD1 H 1 7.017 0.030 . 1 . . . . 43 TYR HD1 . 10311 1 485 . 1 1 43 43 TYR HD2 H 1 7.017 0.030 . 1 . . . . 43 TYR HD2 . 10311 1 486 . 1 1 43 43 TYR HE1 H 1 6.497 0.030 . 1 . . . . 43 TYR HE1 . 10311 1 487 . 1 1 43 43 TYR HE2 H 1 6.497 0.030 . 1 . . . . 43 TYR HE2 . 10311 1 488 . 1 1 43 43 TYR C C 13 175.753 0.300 . 1 . . . . 43 TYR C . 10311 1 489 . 1 1 43 43 TYR CA C 13 56.789 0.300 . 1 . . . . 43 TYR CA . 10311 1 490 . 1 1 43 43 TYR CB C 13 44.179 0.300 . 1 . . . . 43 TYR CB . 10311 1 491 . 1 1 43 43 TYR CD1 C 13 133.765 0.300 . 1 . . . . 43 TYR CD1 . 10311 1 492 . 1 1 43 43 TYR CD2 C 13 133.765 0.300 . 1 . . . . 43 TYR CD2 . 10311 1 493 . 1 1 43 43 TYR CE1 C 13 118.343 0.300 . 1 . . . . 43 TYR CE1 . 10311 1 494 . 1 1 43 43 TYR CE2 C 13 118.343 0.300 . 1 . . . . 43 TYR CE2 . 10311 1 495 . 1 1 43 43 TYR N N 15 117.672 0.300 . 1 . . . . 43 TYR N . 10311 1 496 . 1 1 44 44 LYS H H 1 9.563 0.030 . 1 . . . . 44 LYS H . 10311 1 497 . 1 1 44 44 LYS HA H 1 4.178 0.030 . 1 . . . . 44 LYS HA . 10311 1 498 . 1 1 44 44 LYS HB2 H 1 2.022 0.030 . 2 . . . . 44 LYS HB2 . 10311 1 499 . 1 1 44 44 LYS HB3 H 1 1.916 0.030 . 2 . . . . 44 LYS HB3 . 10311 1 500 . 1 1 44 44 LYS HD2 H 1 1.837 0.030 . 2 . . . . 44 LYS HD2 . 10311 1 501 . 1 1 44 44 LYS HD3 H 1 1.777 0.030 . 2 . . . . 44 LYS HD3 . 10311 1 502 . 1 1 44 44 LYS HE2 H 1 3.087 0.030 . 1 . . . . 44 LYS HE2 . 10311 1 503 . 1 1 44 44 LYS HE3 H 1 3.087 0.030 . 1 . . . . 44 LYS HE3 . 10311 1 504 . 1 1 44 44 LYS HG2 H 1 1.627 0.030 . 2 . . . . 44 LYS HG2 . 10311 1 505 . 1 1 44 44 LYS HG3 H 1 1.544 0.030 . 2 . . . . 44 LYS HG3 . 10311 1 506 . 1 1 44 44 LYS C C 13 176.242 0.300 . 1 . . . . 44 LYS C . 10311 1 507 . 1 1 44 44 LYS CA C 13 59.726 0.300 . 1 . . . . 44 LYS CA . 10311 1 508 . 1 1 44 44 LYS CB C 13 33.667 0.300 . 1 . . . . 44 LYS CB . 10311 1 509 . 1 1 44 44 LYS CD C 13 29.557 0.300 . 1 . . . . 44 LYS CD . 10311 1 510 . 1 1 44 44 LYS CE C 13 42.152 0.300 . 1 . . . . 44 LYS CE . 10311 1 511 . 1 1 44 44 LYS CG C 13 25.474 0.300 . 1 . . . . 44 LYS CG . 10311 1 512 . 1 1 44 44 LYS N N 15 121.339 0.300 . 1 . . . . 44 LYS N . 10311 1 513 . 1 1 45 45 ASP H H 1 7.732 0.030 . 1 . . . . 45 ASP H . 10311 1 514 . 1 1 45 45 ASP HA H 1 4.677 0.030 . 1 . . . . 45 ASP HA . 10311 1 515 . 1 1 45 45 ASP HB2 H 1 3.177 0.030 . 1 . . . . 45 ASP HB2 . 10311 1 516 . 1 1 45 45 ASP HB3 H 1 3.177 0.030 . 1 . . . . 45 ASP HB3 . 10311 1 517 . 1 1 45 45 ASP C C 13 173.774 0.300 . 1 . . . . 45 ASP C . 10311 1 518 . 1 1 45 45 ASP CA C 13 53.114 0.300 . 1 . . . . 45 ASP CA . 10311 1 519 . 1 1 45 45 ASP CB C 13 41.436 0.300 . 1 . . . . 45 ASP CB . 10311 1 520 . 1 1 45 45 ASP N N 15 110.633 0.300 . 1 . . . . 45 ASP N . 10311 1 521 . 1 1 46 46 GLU H H 1 8.711 0.030 . 1 . . . . 46 GLU H . 10311 1 522 . 1 1 46 46 GLU HA H 1 1.716 0.030 . 1 . . . . 46 GLU HA . 10311 1 523 . 1 1 46 46 GLU HB2 H 1 0.664 0.030 . 2 . . . . 46 GLU HB2 . 10311 1 524 . 1 1 46 46 GLU HB3 H 1 0.537 0.030 . 2 . . . . 46 GLU HB3 . 10311 1 525 . 1 1 46 46 GLU HG2 H 1 1.077 0.030 . 2 . . . . 46 GLU HG2 . 10311 1 526 . 1 1 46 46 GLU HG3 H 1 1.407 0.030 . 2 . . . . 46 GLU HG3 . 10311 1 527 . 1 1 46 46 GLU C C 13 176.726 0.300 . 1 . . . . 46 GLU C . 10311 1 528 . 1 1 46 46 GLU CA C 13 56.719 0.300 . 1 . . . . 46 GLU CA . 10311 1 529 . 1 1 46 46 GLU CB C 13 26.936 0.300 . 1 . . . . 46 GLU CB . 10311 1 530 . 1 1 46 46 GLU CG C 13 35.229 0.300 . 1 . . . . 46 GLU CG . 10311 1 531 . 1 1 46 46 GLU N N 15 115.154 0.300 . 1 . . . . 46 GLU N . 10311 1 532 . 1 1 47 47 LYS H H 1 8.190 0.030 . 1 . . . . 47 LYS H . 10311 1 533 . 1 1 47 47 LYS HA H 1 3.832 0.030 . 1 . . . . 47 LYS HA . 10311 1 534 . 1 1 47 47 LYS HB2 H 1 1.838 0.030 . 2 . . . . 47 LYS HB2 . 10311 1 535 . 1 1 47 47 LYS HB3 H 1 1.657 0.030 . 2 . . . . 47 LYS HB3 . 10311 1 536 . 1 1 47 47 LYS HD2 H 1 1.548 0.030 . 1 . . . . 47 LYS HD2 . 10311 1 537 . 1 1 47 47 LYS HD3 H 1 1.548 0.030 . 1 . . . . 47 LYS HD3 . 10311 1 538 . 1 1 47 47 LYS HE2 H 1 2.867 0.030 . 1 . . . . 47 LYS HE2 . 10311 1 539 . 1 1 47 47 LYS HE3 H 1 2.867 0.030 . 1 . . . . 47 LYS HE3 . 10311 1 540 . 1 1 47 47 LYS HG2 H 1 1.299 0.030 . 2 . . . . 47 LYS HG2 . 10311 1 541 . 1 1 47 47 LYS HG3 H 1 1.208 0.030 . 2 . . . . 47 LYS HG3 . 10311 1 542 . 1 1 47 47 LYS C C 13 176.943 0.300 . 1 . . . . 47 LYS C . 10311 1 543 . 1 1 47 47 LYS CA C 13 57.247 0.300 . 1 . . . . 47 LYS CA . 10311 1 544 . 1 1 47 47 LYS CB C 13 31.218 0.300 . 1 . . . . 47 LYS CB . 10311 1 545 . 1 1 47 47 LYS CD C 13 28.736 0.300 . 1 . . . . 47 LYS CD . 10311 1 546 . 1 1 47 47 LYS CE C 13 41.902 0.300 . 1 . . . . 47 LYS CE . 10311 1 547 . 1 1 47 47 LYS CG C 13 25.380 0.300 . 1 . . . . 47 LYS CG . 10311 1 548 . 1 1 47 47 LYS N N 15 120.632 0.300 . 1 . . . . 47 LYS N . 10311 1 549 . 1 1 48 48 GLU H H 1 7.657 0.030 . 1 . . . . 48 GLU H . 10311 1 550 . 1 1 48 48 GLU HA H 1 2.928 0.030 . 1 . . . . 48 GLU HA . 10311 1 551 . 1 1 48 48 GLU HB2 H 1 1.609 0.030 . 2 . . . . 48 GLU HB2 . 10311 1 552 . 1 1 48 48 GLU HG2 H 1 1.606 0.030 . 2 . . . . 48 GLU HG2 . 10311 1 553 . 1 1 48 48 GLU HG3 H 1 0.926 0.030 . 2 . . . . 48 GLU HG3 . 10311 1 554 . 1 1 48 48 GLU C C 13 175.995 0.300 . 1 . . . . 48 GLU C . 10311 1 555 . 1 1 48 48 GLU CA C 13 56.825 0.300 . 1 . . . . 48 GLU CA . 10311 1 556 . 1 1 48 48 GLU CB C 13 26.022 0.300 . 1 . . . . 48 GLU CB . 10311 1 557 . 1 1 48 48 GLU CG C 13 35.915 0.300 . 1 . . . . 48 GLU CG . 10311 1 558 . 1 1 48 48 GLU N N 15 113.539 0.300 . 1 . . . . 48 GLU N . 10311 1 559 . 1 1 49 49 GLU H H 1 8.699 0.030 . 1 . . . . 49 GLU H . 10311 1 560 . 1 1 49 49 GLU HA H 1 4.027 0.030 . 1 . . . . 49 GLU HA . 10311 1 561 . 1 1 49 49 GLU HB2 H 1 2.015 0.030 . 2 . . . . 49 GLU HB2 . 10311 1 562 . 1 1 49 49 GLU HB3 H 1 1.938 0.030 . 2 . . . . 49 GLU HB3 . 10311 1 563 . 1 1 49 49 GLU HG2 H 1 2.195 0.030 . 2 . . . . 49 GLU HG2 . 10311 1 564 . 1 1 49 49 GLU HG3 H 1 2.135 0.030 . 2 . . . . 49 GLU HG3 . 10311 1 565 . 1 1 49 49 GLU C C 13 177.533 0.300 . 1 . . . . 49 GLU C . 10311 1 566 . 1 1 49 49 GLU CA C 13 59.088 0.300 . 1 . . . . 49 GLU CA . 10311 1 567 . 1 1 49 49 GLU CB C 13 30.667 0.300 . 1 . . . . 49 GLU CB . 10311 1 568 . 1 1 49 49 GLU CG C 13 37.221 0.300 . 1 . . . . 49 GLU CG . 10311 1 569 . 1 1 49 49 GLU N N 15 117.810 0.300 . 1 . . . . 49 GLU N . 10311 1 570 . 1 1 50 50 SER H H 1 7.550 0.030 . 1 . . . . 50 SER H . 10311 1 571 . 1 1 50 50 SER HA H 1 4.681 0.030 . 1 . . . . 50 SER HA . 10311 1 572 . 1 1 50 50 SER HB2 H 1 3.773 0.030 . 2 . . . . 50 SER HB2 . 10311 1 573 . 1 1 50 50 SER HB3 H 1 3.730 0.030 . 2 . . . . 50 SER HB3 . 10311 1 574 . 1 1 50 50 SER C C 13 175.854 0.300 . 1 . . . . 50 SER C . 10311 1 575 . 1 1 50 50 SER CA C 13 57.141 0.300 . 1 . . . . 50 SER CA . 10311 1 576 . 1 1 50 50 SER CB C 13 64.281 0.300 . 1 . . . . 50 SER CB . 10311 1 577 . 1 1 50 50 SER N N 15 110.831 0.300 . 1 . . . . 50 SER N . 10311 1 578 . 1 1 51 51 ILE H H 1 8.727 0.030 . 1 . . . . 51 ILE H . 10311 1 579 . 1 1 51 51 ILE HA H 1 3.277 0.030 . 1 . . . . 51 ILE HA . 10311 1 580 . 1 1 51 51 ILE HB H 1 1.576 0.030 . 1 . . . . 51 ILE HB . 10311 1 581 . 1 1 51 51 ILE HD11 H 1 0.756 0.030 . 1 . . . . 51 ILE HD1 . 10311 1 582 . 1 1 51 51 ILE HD12 H 1 0.756 0.030 . 1 . . . . 51 ILE HD1 . 10311 1 583 . 1 1 51 51 ILE HD13 H 1 0.756 0.030 . 1 . . . . 51 ILE HD1 . 10311 1 584 . 1 1 51 51 ILE HG12 H 1 1.477 0.030 . 2 . . . . 51 ILE HG12 . 10311 1 585 . 1 1 51 51 ILE HG13 H 1 0.697 0.030 . 2 . . . . 51 ILE HG13 . 10311 1 586 . 1 1 51 51 ILE HG21 H 1 0.666 0.030 . 1 . . . . 51 ILE HG2 . 10311 1 587 . 1 1 51 51 ILE HG22 H 1 0.666 0.030 . 1 . . . . 51 ILE HG2 . 10311 1 588 . 1 1 51 51 ILE HG23 H 1 0.666 0.030 . 1 . . . . 51 ILE HG2 . 10311 1 589 . 1 1 51 51 ILE C C 13 176.484 0.300 . 1 . . . . 51 ILE C . 10311 1 590 . 1 1 51 51 ILE CA C 13 62.663 0.300 . 1 . . . . 51 ILE CA . 10311 1 591 . 1 1 51 51 ILE CB C 13 39.032 0.300 . 1 . . . . 51 ILE CB . 10311 1 592 . 1 1 51 51 ILE CD1 C 13 14.109 0.300 . 1 . . . . 51 ILE CD1 . 10311 1 593 . 1 1 51 51 ILE CG1 C 13 29.392 0.300 . 1 . . . . 51 ILE CG1 . 10311 1 594 . 1 1 51 51 ILE CG2 C 13 17.897 0.300 . 1 . . . . 51 ILE CG2 . 10311 1 595 . 1 1 51 51 ILE N N 15 127.378 0.300 . 1 . . . . 51 ILE N . 10311 1 596 . 1 1 52 52 LEU H H 1 8.808 0.030 . 1 . . . . 52 LEU H . 10311 1 597 . 1 1 52 52 LEU HA H 1 4.258 0.030 . 1 . . . . 52 LEU HA . 10311 1 598 . 1 1 52 52 LEU HB2 H 1 1.288 0.030 . 1 . . . . 52 LEU HB2 . 10311 1 599 . 1 1 52 52 LEU HB3 H 1 1.288 0.030 . 1 . . . . 52 LEU HB3 . 10311 1 600 . 1 1 52 52 LEU HD11 H 1 0.867 0.030 . 1 . . . . 52 LEU HD1 . 10311 1 601 . 1 1 52 52 LEU HD12 H 1 0.867 0.030 . 1 . . . . 52 LEU HD1 . 10311 1 602 . 1 1 52 52 LEU HD13 H 1 0.867 0.030 . 1 . . . . 52 LEU HD1 . 10311 1 603 . 1 1 52 52 LEU HD21 H 1 0.845 0.030 . 1 . . . . 52 LEU HD2 . 10311 1 604 . 1 1 52 52 LEU HD22 H 1 0.845 0.030 . 1 . . . . 52 LEU HD2 . 10311 1 605 . 1 1 52 52 LEU HD23 H 1 0.845 0.030 . 1 . . . . 52 LEU HD2 . 10311 1 606 . 1 1 52 52 LEU HG H 1 1.737 0.030 . 1 . . . . 52 LEU HG . 10311 1 607 . 1 1 52 52 LEU C C 13 176.997 0.300 . 1 . . . . 52 LEU C . 10311 1 608 . 1 1 52 52 LEU CA C 13 54.996 0.300 . 1 . . . . 52 LEU CA . 10311 1 609 . 1 1 52 52 LEU CB C 13 42.494 0.300 . 1 . . . . 52 LEU CB . 10311 1 610 . 1 1 52 52 LEU CD1 C 13 25.590 0.300 . 2 . . . . 52 LEU CD1 . 10311 1 611 . 1 1 52 52 LEU CD2 C 13 22.204 0.300 . 2 . . . . 52 LEU CD2 . 10311 1 612 . 1 1 52 52 LEU CG C 13 27.205 0.300 . 1 . . . . 52 LEU CG . 10311 1 613 . 1 1 52 52 LEU N N 15 129.186 0.300 . 1 . . . . 52 LEU N . 10311 1 614 . 1 1 53 53 GLY H H 1 6.487 0.030 . 1 . . . . 53 GLY H . 10311 1 615 . 1 1 53 53 GLY HA2 H 1 3.747 0.030 . 2 . . . . 53 GLY HA2 . 10311 1 616 . 1 1 53 53 GLY HA3 H 1 3.367 0.030 . 2 . . . . 53 GLY HA3 . 10311 1 617 . 1 1 53 53 GLY C C 13 169.245 0.300 . 1 . . . . 53 GLY C . 10311 1 618 . 1 1 53 53 GLY CA C 13 44.813 0.300 . 1 . . . . 53 GLY CA . 10311 1 619 . 1 1 53 53 GLY N N 15 105.873 0.300 . 1 . . . . 53 GLY N . 10311 1 620 . 1 1 54 54 SER H H 1 7.935 0.030 . 1 . . . . 54 SER H . 10311 1 621 . 1 1 54 54 SER HA H 1 5.076 0.030 . 1 . . . . 54 SER HA . 10311 1 622 . 1 1 54 54 SER HB2 H 1 3.435 0.030 . 2 . . . . 54 SER HB2 . 10311 1 623 . 1 1 54 54 SER HB3 H 1 3.048 0.030 . 2 . . . . 54 SER HB3 . 10311 1 624 . 1 1 54 54 SER C C 13 173.620 0.300 . 1 . . . . 54 SER C . 10311 1 625 . 1 1 54 54 SER CA C 13 56.212 0.300 . 1 . . . . 54 SER CA . 10311 1 626 . 1 1 54 54 SER CB C 13 66.183 0.300 . 1 . . . . 54 SER CB . 10311 1 627 . 1 1 54 54 SER N N 15 110.800 0.300 . 1 . . . . 54 SER N . 10311 1 628 . 1 1 55 55 ILE H H 1 9.046 0.030 . 1 . . . . 55 ILE H . 10311 1 629 . 1 1 55 55 ILE HA H 1 4.309 0.030 . 1 . . . . 55 ILE HA . 10311 1 630 . 1 1 55 55 ILE HB H 1 1.597 0.030 . 1 . . . . 55 ILE HB . 10311 1 631 . 1 1 55 55 ILE HD11 H 1 0.247 0.030 . 1 . . . . 55 ILE HD1 . 10311 1 632 . 1 1 55 55 ILE HD12 H 1 0.247 0.030 . 1 . . . . 55 ILE HD1 . 10311 1 633 . 1 1 55 55 ILE HD13 H 1 0.247 0.030 . 1 . . . . 55 ILE HD1 . 10311 1 634 . 1 1 55 55 ILE HG12 H 1 1.277 0.030 . 2 . . . . 55 ILE HG12 . 10311 1 635 . 1 1 55 55 ILE HG13 H 1 0.677 0.030 . 2 . . . . 55 ILE HG13 . 10311 1 636 . 1 1 55 55 ILE HG21 H 1 0.186 0.030 . 1 . . . . 55 ILE HG2 . 10311 1 637 . 1 1 55 55 ILE HG22 H 1 0.186 0.030 . 1 . . . . 55 ILE HG2 . 10311 1 638 . 1 1 55 55 ILE HG23 H 1 0.186 0.030 . 1 . . . . 55 ILE HG2 . 10311 1 639 . 1 1 55 55 ILE C C 13 172.826 0.300 . 1 . . . . 55 ILE C . 10311 1 640 . 1 1 55 55 ILE CA C 13 58.618 0.300 . 1 . . . . 55 ILE CA . 10311 1 641 . 1 1 55 55 ILE CB C 13 41.970 0.300 . 1 . . . . 55 ILE CB . 10311 1 642 . 1 1 55 55 ILE CD1 C 13 13.643 0.300 . 1 . . . . 55 ILE CD1 . 10311 1 643 . 1 1 55 55 ILE CG1 C 13 26.612 0.300 . 1 . . . . 55 ILE CG1 . 10311 1 644 . 1 1 55 55 ILE CG2 C 13 17.282 0.300 . 1 . . . . 55 ILE CG2 . 10311 1 645 . 1 1 55 55 ILE N N 15 122.971 0.300 . 1 . . . . 55 ILE N . 10311 1 646 . 1 1 56 56 PRO HA H 1 4.518 0.030 . 1 . . . . 56 PRO HA . 10311 1 647 . 1 1 56 56 PRO HB2 H 1 2.317 0.030 . 2 . . . . 56 PRO HB2 . 10311 1 648 . 1 1 56 56 PRO HB3 H 1 2.037 0.030 . 2 . . . . 56 PRO HB3 . 10311 1 649 . 1 1 56 56 PRO HD2 H 1 3.797 0.030 . 2 . . . . 56 PRO HD2 . 10311 1 650 . 1 1 56 56 PRO HD3 H 1 3.556 0.030 . 2 . . . . 56 PRO HD3 . 10311 1 651 . 1 1 56 56 PRO HG2 H 1 1.936 0.030 . 2 . . . . 56 PRO HG2 . 10311 1 652 . 1 1 56 56 PRO HG3 H 1 2.237 0.030 . 2 . . . . 56 PRO HG3 . 10311 1 653 . 1 1 56 56 PRO C C 13 178.046 0.300 . 1 . . . . 56 PRO C . 10311 1 654 . 1 1 56 56 PRO CA C 13 62.945 0.300 . 1 . . . . 56 PRO CA . 10311 1 655 . 1 1 56 56 PRO CB C 13 31.612 0.300 . 1 . . . . 56 PRO CB . 10311 1 656 . 1 1 56 56 PRO CD C 13 50.836 0.300 . 1 . . . . 56 PRO CD . 10311 1 657 . 1 1 56 56 PRO CG C 13 27.622 0.300 . 1 . . . . 56 PRO CG . 10311 1 658 . 1 1 57 57 LEU H H 1 7.977 0.030 . 1 . . . . 57 LEU H . 10311 1 659 . 1 1 57 57 LEU HA H 1 3.857 0.030 . 1 . . . . 57 LEU HA . 10311 1 660 . 1 1 57 57 LEU HB2 H 1 1.375 0.030 . 1 . . . . 57 LEU HB2 . 10311 1 661 . 1 1 57 57 LEU HB3 H 1 1.375 0.030 . 1 . . . . 57 LEU HB3 . 10311 1 662 . 1 1 57 57 LEU HD11 H 1 0.709 0.030 . 1 . . . . 57 LEU HD1 . 10311 1 663 . 1 1 57 57 LEU HD12 H 1 0.709 0.030 . 1 . . . . 57 LEU HD1 . 10311 1 664 . 1 1 57 57 LEU HD13 H 1 0.709 0.030 . 1 . . . . 57 LEU HD1 . 10311 1 665 . 1 1 57 57 LEU HD21 H 1 0.286 0.030 . 1 . . . . 57 LEU HD2 . 10311 1 666 . 1 1 57 57 LEU HD22 H 1 0.286 0.030 . 1 . . . . 57 LEU HD2 . 10311 1 667 . 1 1 57 57 LEU HD23 H 1 0.286 0.030 . 1 . . . . 57 LEU HD2 . 10311 1 668 . 1 1 57 57 LEU HG H 1 1.577 0.030 . 1 . . . . 57 LEU HG . 10311 1 669 . 1 1 57 57 LEU C C 13 176.956 0.300 . 1 . . . . 57 LEU C . 10311 1 670 . 1 1 57 57 LEU CA C 13 55.734 0.300 . 1 . . . . 57 LEU CA . 10311 1 671 . 1 1 57 57 LEU CB C 13 43.327 0.300 . 1 . . . . 57 LEU CB . 10311 1 672 . 1 1 57 57 LEU CD1 C 13 27.091 0.300 . 2 . . . . 57 LEU CD1 . 10311 1 673 . 1 1 57 57 LEU CD2 C 13 22.132 0.300 . 2 . . . . 57 LEU CD2 . 10311 1 674 . 1 1 57 57 LEU CG C 13 26.612 0.300 . 1 . . . . 57 LEU CG . 10311 1 675 . 1 1 57 57 LEU N N 15 124.393 0.300 . 1 . . . . 57 LEU N . 10311 1 676 . 1 1 58 58 LEU H H 1 7.911 0.030 . 1 . . . . 58 LEU H . 10311 1 677 . 1 1 58 58 LEU HA H 1 4.157 0.030 . 1 . . . . 58 LEU HA . 10311 1 678 . 1 1 58 58 LEU HB2 H 1 1.689 0.030 . 1 . . . . 58 LEU HB2 . 10311 1 679 . 1 1 58 58 LEU HB3 H 1 1.689 0.030 . 1 . . . . 58 LEU HB3 . 10311 1 680 . 1 1 58 58 LEU HD11 H 1 0.937 0.030 . 1 . . . . 58 LEU HD1 . 10311 1 681 . 1 1 58 58 LEU HD12 H 1 0.937 0.030 . 1 . . . . 58 LEU HD1 . 10311 1 682 . 1 1 58 58 LEU HD13 H 1 0.937 0.030 . 1 . . . . 58 LEU HD1 . 10311 1 683 . 1 1 58 58 LEU HD21 H 1 0.945 0.030 . 1 . . . . 58 LEU HD2 . 10311 1 684 . 1 1 58 58 LEU HD22 H 1 0.945 0.030 . 1 . . . . 58 LEU HD2 . 10311 1 685 . 1 1 58 58 LEU HD23 H 1 0.945 0.030 . 1 . . . . 58 LEU HD2 . 10311 1 686 . 1 1 58 58 LEU HG H 1 1.706 0.030 . 1 . . . . 58 LEU HG . 10311 1 687 . 1 1 58 58 LEU C C 13 178.774 0.300 . 1 . . . . 58 LEU C . 10311 1 688 . 1 1 58 58 LEU CA C 13 58.039 0.300 . 1 . . . . 58 LEU CA . 10311 1 689 . 1 1 58 58 LEU CB C 13 41.929 0.300 . 1 . . . . 58 LEU CB . 10311 1 690 . 1 1 58 58 LEU CD1 C 13 25.446 0.300 . 2 . . . . 58 LEU CD1 . 10311 1 691 . 1 1 58 58 LEU CD2 C 13 24.460 0.300 . 2 . . . . 58 LEU CD2 . 10311 1 692 . 1 1 58 58 LEU CG C 13 27.022 0.300 . 1 . . . . 58 LEU CG . 10311 1 693 . 1 1 58 58 LEU N N 15 120.541 0.300 . 1 . . . . 58 LEU N . 10311 1 694 . 1 1 59 59 SER H H 1 9.055 0.030 . 1 . . . . 59 SER H . 10311 1 695 . 1 1 59 59 SER HA H 1 4.138 0.030 . 1 . . . . 59 SER HA . 10311 1 696 . 1 1 59 59 SER HB2 H 1 3.795 0.030 . 2 . . . . 59 SER HB2 . 10311 1 697 . 1 1 59 59 SER HB3 H 1 4.017 0.030 . 2 . . . . 59 SER HB3 . 10311 1 698 . 1 1 59 59 SER C C 13 174.269 0.300 . 1 . . . . 59 SER C . 10311 1 699 . 1 1 59 59 SER CA C 13 61.168 0.300 . 1 . . . . 59 SER CA . 10311 1 700 . 1 1 59 59 SER CB C 13 62.862 0.300 . 1 . . . . 59 SER CB . 10311 1 701 . 1 1 59 59 SER N N 15 115.778 0.300 . 1 . . . . 59 SER N . 10311 1 702 . 1 1 60 60 PHE H H 1 8.667 0.030 . 1 . . . . 60 PHE H . 10311 1 703 . 1 1 60 60 PHE HA H 1 4.545 0.030 . 1 . . . . 60 PHE HA . 10311 1 704 . 1 1 60 60 PHE HB2 H 1 3.416 0.030 . 2 . . . . 60 PHE HB2 . 10311 1 705 . 1 1 60 60 PHE HB3 H 1 2.475 0.030 . 2 . . . . 60 PHE HB3 . 10311 1 706 . 1 1 60 60 PHE HD1 H 1 6.982 0.030 . 1 . . . . 60 PHE HD1 . 10311 1 707 . 1 1 60 60 PHE HD2 H 1 6.982 0.030 . 1 . . . . 60 PHE HD2 . 10311 1 708 . 1 1 60 60 PHE HE1 H 1 7.246 0.030 . 1 . . . . 60 PHE HE1 . 10311 1 709 . 1 1 60 60 PHE HE2 H 1 7.246 0.030 . 1 . . . . 60 PHE HE2 . 10311 1 710 . 1 1 60 60 PHE HZ H 1 7.318 0.030 . 1 . . . . 60 PHE HZ . 10311 1 711 . 1 1 60 60 PHE C C 13 175.274 0.300 . 1 . . . . 60 PHE C . 10311 1 712 . 1 1 60 60 PHE CA C 13 58.917 0.300 . 1 . . . . 60 PHE CA . 10311 1 713 . 1 1 60 60 PHE CB C 13 39.710 0.300 . 1 . . . . 60 PHE CB . 10311 1 714 . 1 1 60 60 PHE CD1 C 13 130.853 0.300 . 1 . . . . 60 PHE CD1 . 10311 1 715 . 1 1 60 60 PHE CD2 C 13 130.853 0.300 . 1 . . . . 60 PHE CD2 . 10311 1 716 . 1 1 60 60 PHE CE1 C 13 131.968 0.300 . 1 . . . . 60 PHE CE1 . 10311 1 717 . 1 1 60 60 PHE CE2 C 13 131.968 0.300 . 1 . . . . 60 PHE CE2 . 10311 1 718 . 1 1 60 60 PHE CZ C 13 129.775 0.300 . 1 . . . . 60 PHE CZ . 10311 1 719 . 1 1 60 60 PHE N N 15 122.199 0.300 . 1 . . . . 60 PHE N . 10311 1 720 . 1 1 61 61 ARG H H 1 9.038 0.030 . 1 . . . . 61 ARG H . 10311 1 721 . 1 1 61 61 ARG HA H 1 4.720 0.030 . 1 . . . . 61 ARG HA . 10311 1 722 . 1 1 61 61 ARG HB2 H 1 1.854 0.030 . 2 . . . . 61 ARG HB2 . 10311 1 723 . 1 1 61 61 ARG HB3 H 1 1.920 0.030 . 2 . . . . 61 ARG HB3 . 10311 1 724 . 1 1 61 61 ARG HD2 H 1 3.240 0.030 . 1 . . . . 61 ARG HD2 . 10311 1 725 . 1 1 61 61 ARG HD3 H 1 3.240 0.030 . 1 . . . . 61 ARG HD3 . 10311 1 726 . 1 1 61 61 ARG HG2 H 1 1.737 0.030 . 2 . . . . 61 ARG HG2 . 10311 1 727 . 1 1 61 61 ARG HG3 H 1 1.576 0.030 . 2 . . . . 61 ARG HG3 . 10311 1 728 . 1 1 61 61 ARG C C 13 176.173 0.300 . 1 . . . . 61 ARG C . 10311 1 729 . 1 1 61 61 ARG CA C 13 55.189 0.300 . 1 . . . . 61 ARG CA . 10311 1 730 . 1 1 61 61 ARG CB C 13 31.777 0.300 . 1 . . . . 61 ARG CB . 10311 1 731 . 1 1 61 61 ARG CD C 13 43.368 0.300 . 1 . . . . 61 ARG CD . 10311 1 732 . 1 1 61 61 ARG CG C 13 27.502 0.300 . 1 . . . . 61 ARG CG . 10311 1 733 . 1 1 61 61 ARG N N 15 120.083 0.300 . 1 . . . . 61 ARG N . 10311 1 734 . 1 1 62 62 VAL H H 1 9.034 0.030 . 1 . . . . 62 VAL H . 10311 1 735 . 1 1 62 62 VAL HA H 1 5.518 0.030 . 1 . . . . 62 VAL HA . 10311 1 736 . 1 1 62 62 VAL HB H 1 1.993 0.030 . 1 . . . . 62 VAL HB . 10311 1 737 . 1 1 62 62 VAL HG11 H 1 1.147 0.030 . 1 . . . . 62 VAL HG1 . 10311 1 738 . 1 1 62 62 VAL HG12 H 1 1.147 0.030 . 1 . . . . 62 VAL HG1 . 10311 1 739 . 1 1 62 62 VAL HG13 H 1 1.147 0.030 . 1 . . . . 62 VAL HG1 . 10311 1 740 . 1 1 62 62 VAL HG21 H 1 0.877 0.030 . 1 . . . . 62 VAL HG2 . 10311 1 741 . 1 1 62 62 VAL HG22 H 1 0.877 0.030 . 1 . . . . 62 VAL HG2 . 10311 1 742 . 1 1 62 62 VAL HG23 H 1 0.877 0.030 . 1 . . . . 62 VAL HG2 . 10311 1 743 . 1 1 62 62 VAL C C 13 175.144 0.300 . 1 . . . . 62 VAL C . 10311 1 744 . 1 1 62 62 VAL CA C 13 60.958 0.300 . 1 . . . . 62 VAL CA . 10311 1 745 . 1 1 62 62 VAL CB C 13 33.216 0.300 . 1 . . . . 62 VAL CB . 10311 1 746 . 1 1 62 62 VAL CG1 C 13 22.411 0.300 . 2 . . . . 62 VAL CG1 . 10311 1 747 . 1 1 62 62 VAL CG2 C 13 20.235 0.300 . 2 . . . . 62 VAL CG2 . 10311 1 748 . 1 1 62 62 VAL N N 15 127.913 0.300 . 1 . . . . 62 VAL N . 10311 1 749 . 1 1 63 63 ALA H H 1 8.888 0.030 . 1 . . . . 63 ALA H . 10311 1 750 . 1 1 63 63 ALA HA H 1 4.708 0.030 . 1 . . . . 63 ALA HA . 10311 1 751 . 1 1 63 63 ALA HB1 H 1 1.457 0.030 . 1 . . . . 63 ALA HB . 10311 1 752 . 1 1 63 63 ALA HB2 H 1 1.457 0.030 . 1 . . . . 63 ALA HB . 10311 1 753 . 1 1 63 63 ALA HB3 H 1 1.457 0.030 . 1 . . . . 63 ALA HB . 10311 1 754 . 1 1 63 63 ALA C C 13 175.576 0.300 . 1 . . . . 63 ALA C . 10311 1 755 . 1 1 63 63 ALA CA C 13 51.479 0.300 . 1 . . . . 63 ALA CA . 10311 1 756 . 1 1 63 63 ALA CB C 13 23.414 0.300 . 1 . . . . 63 ALA CB . 10311 1 757 . 1 1 63 63 ALA N N 15 128.091 0.300 . 1 . . . . 63 ALA N . 10311 1 758 . 1 1 64 64 ALA H H 1 8.906 0.030 . 1 . . . . 64 ALA H . 10311 1 759 . 1 1 64 64 ALA HA H 1 4.464 0.030 . 1 . . . . 64 ALA HA . 10311 1 760 . 1 1 64 64 ALA HB1 H 1 1.526 0.030 . 1 . . . . 64 ALA HB . 10311 1 761 . 1 1 64 64 ALA HB2 H 1 1.526 0.030 . 1 . . . . 64 ALA HB . 10311 1 762 . 1 1 64 64 ALA HB3 H 1 1.526 0.030 . 1 . . . . 64 ALA HB . 10311 1 763 . 1 1 64 64 ALA C C 13 177.669 0.300 . 1 . . . . 64 ALA C . 10311 1 764 . 1 1 64 64 ALA CA C 13 52.920 0.300 . 1 . . . . 64 ALA CA . 10311 1 765 . 1 1 64 64 ALA CB C 13 18.894 0.300 . 1 . . . . 64 ALA CB . 10311 1 766 . 1 1 64 64 ALA N N 15 122.414 0.300 . 1 . . . . 64 ALA N . 10311 1 767 . 1 1 65 65 VAL H H 1 7.583 0.030 . 1 . . . . 65 VAL H . 10311 1 768 . 1 1 65 65 VAL HA H 1 4.307 0.030 . 1 . . . . 65 VAL HA . 10311 1 769 . 1 1 65 65 VAL HB H 1 2.327 0.030 . 1 . . . . 65 VAL HB . 10311 1 770 . 1 1 65 65 VAL HG11 H 1 1.087 0.030 . 1 . . . . 65 VAL HG1 . 10311 1 771 . 1 1 65 65 VAL HG12 H 1 1.087 0.030 . 1 . . . . 65 VAL HG1 . 10311 1 772 . 1 1 65 65 VAL HG13 H 1 1.087 0.030 . 1 . . . . 65 VAL HG1 . 10311 1 773 . 1 1 65 65 VAL HG21 H 1 1.017 0.030 . 1 . . . . 65 VAL HG2 . 10311 1 774 . 1 1 65 65 VAL HG22 H 1 1.017 0.030 . 1 . . . . 65 VAL HG2 . 10311 1 775 . 1 1 65 65 VAL HG23 H 1 1.017 0.030 . 1 . . . . 65 VAL HG2 . 10311 1 776 . 1 1 65 65 VAL C C 13 175.310 0.300 . 1 . . . . 65 VAL C . 10311 1 777 . 1 1 65 65 VAL CA C 13 62.417 0.300 . 1 . . . . 65 VAL CA . 10311 1 778 . 1 1 65 65 VAL CB C 13 32.798 0.300 . 1 . . . . 65 VAL CB . 10311 1 779 . 1 1 65 65 VAL CG1 C 13 23.063 0.300 . 2 . . . . 65 VAL CG1 . 10311 1 780 . 1 1 65 65 VAL CG2 C 13 20.632 0.300 . 2 . . . . 65 VAL CG2 . 10311 1 781 . 1 1 65 65 VAL N N 15 115.347 0.300 . 1 . . . . 65 VAL N . 10311 1 782 . 1 1 66 66 GLN H H 1 9.300 0.030 . 1 . . . . 66 GLN H . 10311 1 783 . 1 1 66 66 GLN HA H 1 4.817 0.030 . 1 . . . . 66 GLN HA . 10311 1 784 . 1 1 66 66 GLN HB2 H 1 1.816 0.030 . 2 . . . . 66 GLN HB2 . 10311 1 785 . 1 1 66 66 GLN HB3 H 1 2.282 0.030 . 2 . . . . 66 GLN HB3 . 10311 1 786 . 1 1 66 66 GLN HE21 H 1 7.618 0.030 . 2 . . . . 66 GLN HE21 . 10311 1 787 . 1 1 66 66 GLN HE22 H 1 6.968 0.030 . 2 . . . . 66 GLN HE22 . 10311 1 788 . 1 1 66 66 GLN HG2 H 1 2.445 0.030 . 1 . . . . 66 GLN HG2 . 10311 1 789 . 1 1 66 66 GLN HG3 H 1 2.445 0.030 . 1 . . . . 66 GLN HG3 . 10311 1 790 . 1 1 66 66 GLN C C 13 176.023 0.300 . 1 . . . . 66 GLN C . 10311 1 791 . 1 1 66 66 GLN CA C 13 53.378 0.300 . 1 . . . . 66 GLN CA . 10311 1 792 . 1 1 66 66 GLN CB C 13 29.816 0.300 . 1 . . . . 66 GLN CB . 10311 1 793 . 1 1 66 66 GLN CG C 13 33.891 0.300 . 1 . . . . 66 GLN CG . 10311 1 794 . 1 1 66 66 GLN N N 15 124.023 0.300 . 1 . . . . 66 GLN N . 10311 1 795 . 1 1 66 66 GLN NE2 N 15 113.424 0.300 . 1 . . . . 66 GLN NE2 . 10311 1 796 . 1 1 67 67 PRO HA H 1 4.344 0.030 . 1 . . . . 67 PRO HA . 10311 1 797 . 1 1 67 67 PRO HB2 H 1 2.388 0.030 . 2 . . . . 67 PRO HB2 . 10311 1 798 . 1 1 67 67 PRO HB3 H 1 1.989 0.030 . 2 . . . . 67 PRO HB3 . 10311 1 799 . 1 1 67 67 PRO HD2 H 1 3.916 0.030 . 2 . . . . 67 PRO HD2 . 10311 1 800 . 1 1 67 67 PRO HD3 H 1 3.865 0.030 . 2 . . . . 67 PRO HD3 . 10311 1 801 . 1 1 67 67 PRO HG2 H 1 2.223 0.030 . 2 . . . . 67 PRO HG2 . 10311 1 802 . 1 1 67 67 PRO HG3 H 1 2.037 0.030 . 2 . . . . 67 PRO HG3 . 10311 1 803 . 1 1 67 67 PRO C C 13 178.251 0.300 . 1 . . . . 67 PRO C . 10311 1 804 . 1 1 67 67 PRO CA C 13 65.828 0.300 . 1 . . . . 67 PRO CA . 10311 1 805 . 1 1 67 67 PRO CB C 13 31.695 0.300 . 1 . . . . 67 PRO CB . 10311 1 806 . 1 1 67 67 PRO CD C 13 50.610 0.300 . 1 . . . . 67 PRO CD . 10311 1 807 . 1 1 67 67 PRO CG C 13 27.997 0.300 . 1 . . . . 67 PRO CG . 10311 1 808 . 1 1 68 68 SER H H 1 8.050 0.030 . 1 . . . . 68 SER H . 10311 1 809 . 1 1 68 68 SER HA H 1 4.227 0.030 . 1 . . . . 68 SER HA . 10311 1 810 . 1 1 68 68 SER HB2 H 1 3.828 0.030 . 2 . . . . 68 SER HB2 . 10311 1 811 . 1 1 68 68 SER HB3 H 1 4.017 0.030 . 2 . . . . 68 SER HB3 . 10311 1 812 . 1 1 68 68 SER C C 13 175.065 0.300 . 1 . . . . 68 SER C . 10311 1 813 . 1 1 68 68 SER CA C 13 59.551 0.300 . 1 . . . . 68 SER CA . 10311 1 814 . 1 1 68 68 SER CB C 13 62.962 0.300 . 1 . . . . 68 SER CB . 10311 1 815 . 1 1 68 68 SER N N 15 110.628 0.300 . 1 . . . . 68 SER N . 10311 1 816 . 1 1 69 69 ASP H H 1 8.169 0.030 . 1 . . . . 69 ASP H . 10311 1 817 . 1 1 69 69 ASP HA H 1 4.547 0.030 . 1 . . . . 69 ASP HA . 10311 1 818 . 1 1 69 69 ASP HB2 H 1 2.726 0.030 . 2 . . . . 69 ASP HB2 . 10311 1 819 . 1 1 69 69 ASP HB3 H 1 2.868 0.030 . 2 . . . . 69 ASP HB3 . 10311 1 820 . 1 1 69 69 ASP C C 13 175.684 0.300 . 1 . . . . 69 ASP C . 10311 1 821 . 1 1 69 69 ASP CA C 13 56.332 0.300 . 1 . . . . 69 ASP CA . 10311 1 822 . 1 1 69 69 ASP CB C 13 41.362 0.300 . 1 . . . . 69 ASP CB . 10311 1 823 . 1 1 69 69 ASP N N 15 120.054 0.300 . 1 . . . . 69 ASP N . 10311 1 824 . 1 1 70 70 ASN H H 1 7.978 0.030 . 1 . . . . 70 ASN H . 10311 1 825 . 1 1 70 70 ASN HA H 1 4.350 0.030 . 1 . . . . 70 ASN HA . 10311 1 826 . 1 1 70 70 ASN HB2 H 1 2.938 0.030 . 2 . . . . 70 ASN HB2 . 10311 1 827 . 1 1 70 70 ASN HB3 H 1 2.629 0.030 . 2 . . . . 70 ASN HB3 . 10311 1 828 . 1 1 70 70 ASN HD21 H 1 7.463 0.030 . 2 . . . . 70 ASN HD21 . 10311 1 829 . 1 1 70 70 ASN HD22 H 1 6.725 0.030 . 2 . . . . 70 ASN HD22 . 10311 1 830 . 1 1 70 70 ASN C C 13 173.987 0.300 . 1 . . . . 70 ASN C . 10311 1 831 . 1 1 70 70 ASN CA C 13 54.184 0.300 . 1 . . . . 70 ASN CA . 10311 1 832 . 1 1 70 70 ASN CB C 13 37.408 0.300 . 1 . . . . 70 ASN CB . 10311 1 833 . 1 1 70 70 ASN N N 15 114.436 0.300 . 1 . . . . 70 ASN N . 10311 1 834 . 1 1 70 70 ASN ND2 N 15 112.633 0.300 . 1 . . . . 70 ASN ND2 . 10311 1 835 . 1 1 71 71 ILE H H 1 8.408 0.030 . 1 . . . . 71 ILE H . 10311 1 836 . 1 1 71 71 ILE HA H 1 4.267 0.030 . 1 . . . . 71 ILE HA . 10311 1 837 . 1 1 71 71 ILE HB H 1 1.760 0.030 . 1 . . . . 71 ILE HB . 10311 1 838 . 1 1 71 71 ILE HD11 H 1 0.247 0.030 . 1 . . . . 71 ILE HD1 . 10311 1 839 . 1 1 71 71 ILE HD12 H 1 0.247 0.030 . 1 . . . . 71 ILE HD1 . 10311 1 840 . 1 1 71 71 ILE HD13 H 1 0.247 0.030 . 1 . . . . 71 ILE HD1 . 10311 1 841 . 1 1 71 71 ILE HG12 H 1 1.017 0.030 . 1 . . . . 71 ILE HG12 . 10311 1 842 . 1 1 71 71 ILE HG13 H 1 1.017 0.030 . 1 . . . . 71 ILE HG13 . 10311 1 843 . 1 1 71 71 ILE HG21 H 1 0.988 0.030 . 1 . . . . 71 ILE HG2 . 10311 1 844 . 1 1 71 71 ILE HG22 H 1 0.988 0.030 . 1 . . . . 71 ILE HG2 . 10311 1 845 . 1 1 71 71 ILE HG23 H 1 0.988 0.030 . 1 . . . . 71 ILE HG2 . 10311 1 846 . 1 1 71 71 ILE C C 13 175.999 0.300 . 1 . . . . 71 ILE C . 10311 1 847 . 1 1 71 71 ILE CA C 13 59.287 0.300 . 1 . . . . 71 ILE CA . 10311 1 848 . 1 1 71 71 ILE CB C 13 38.929 0.300 . 1 . . . . 71 ILE CB . 10311 1 849 . 1 1 71 71 ILE CD1 C 13 11.195 0.300 . 1 . . . . 71 ILE CD1 . 10311 1 850 . 1 1 71 71 ILE CG1 C 13 26.676 0.300 . 1 . . . . 71 ILE CG1 . 10311 1 851 . 1 1 71 71 ILE CG2 C 13 18.189 0.300 . 1 . . . . 71 ILE CG2 . 10311 1 852 . 1 1 71 71 ILE N N 15 119.662 0.300 . 1 . . . . 71 ILE N . 10311 1 853 . 1 1 72 72 SER HA H 1 4.368 0.030 . 1 . . . . 72 SER HA . 10311 1 854 . 1 1 72 72 SER HB2 H 1 3.756 0.030 . 2 . . . . 72 SER HB2 . 10311 1 855 . 1 1 72 72 SER HB3 H 1 3.845 0.030 . 2 . . . . 72 SER HB3 . 10311 1 856 . 1 1 72 72 SER C C 13 174.158 0.300 . 1 . . . . 72 SER C . 10311 1 857 . 1 1 72 72 SER CA C 13 58.407 0.300 . 1 . . . . 72 SER CA . 10311 1 858 . 1 1 72 72 SER CB C 13 63.721 0.300 . 1 . . . . 72 SER CB . 10311 1 859 . 1 1 73 73 ARG H H 1 6.969 0.030 . 1 . . . . 73 ARG H . 10311 1 860 . 1 1 73 73 ARG HA H 1 3.852 0.030 . 1 . . . . 73 ARG HA . 10311 1 861 . 1 1 73 73 ARG HB2 H 1 1.027 0.030 . 1 . . . . 73 ARG HB2 . 10311 1 862 . 1 1 73 73 ARG HB3 H 1 1.027 0.030 . 1 . . . . 73 ARG HB3 . 10311 1 863 . 1 1 73 73 ARG HD2 H 1 0.871 0.030 . 2 . . . . 73 ARG HD2 . 10311 1 864 . 1 1 73 73 ARG HD3 H 1 1.217 0.030 . 2 . . . . 73 ARG HD3 . 10311 1 865 . 1 1 73 73 ARG HE H 1 5.797 0.030 . 1 . . . . 73 ARG HE . 10311 1 866 . 1 1 73 73 ARG HG2 H 1 0.828 0.030 . 2 . . . . 73 ARG HG2 . 10311 1 867 . 1 1 73 73 ARG HG3 H 1 0.708 0.030 . 2 . . . . 73 ARG HG3 . 10311 1 868 . 1 1 73 73 ARG C C 13 176.138 0.300 . 1 . . . . 73 ARG C . 10311 1 869 . 1 1 73 73 ARG CA C 13 56.280 0.300 . 1 . . . . 73 ARG CA . 10311 1 870 . 1 1 73 73 ARG CB C 13 30.338 0.300 . 1 . . . . 73 ARG CB . 10311 1 871 . 1 1 73 73 ARG CD C 13 41.230 0.300 . 1 . . . . 73 ARG CD . 10311 1 872 . 1 1 73 73 ARG CG C 13 27.351 0.300 . 1 . . . . 73 ARG CG . 10311 1 873 . 1 1 73 73 ARG N N 15 123.787 0.300 . 1 . . . . 73 ARG N . 10311 1 874 . 1 1 73 73 ARG NE N 15 82.786 0.300 . 1 . . . . 73 ARG NE . 10311 1 875 . 1 1 74 74 LYS H H 1 8.274 0.030 . 1 . . . . 74 LYS H . 10311 1 876 . 1 1 74 74 LYS HA H 1 3.865 0.030 . 1 . . . . 74 LYS HA . 10311 1 877 . 1 1 74 74 LYS HB2 H 1 1.047 0.030 . 2 . . . . 74 LYS HB2 . 10311 1 878 . 1 1 74 74 LYS HB3 H 1 0.507 0.030 . 2 . . . . 74 LYS HB3 . 10311 1 879 . 1 1 74 74 LYS HD2 H 1 1.438 0.030 . 1 . . . . 74 LYS HD2 . 10311 1 880 . 1 1 74 74 LYS HD3 H 1 1.438 0.030 . 1 . . . . 74 LYS HD3 . 10311 1 881 . 1 1 74 74 LYS HE2 H 1 2.865 0.030 . 1 . . . . 74 LYS HE2 . 10311 1 882 . 1 1 74 74 LYS HE3 H 1 2.865 0.030 . 1 . . . . 74 LYS HE3 . 10311 1 883 . 1 1 74 74 LYS HG2 H 1 1.094 0.030 . 2 . . . . 74 LYS HG2 . 10311 1 884 . 1 1 74 74 LYS HG3 H 1 1.207 0.030 . 2 . . . . 74 LYS HG3 . 10311 1 885 . 1 1 74 74 LYS C C 13 175.923 0.300 . 1 . . . . 74 LYS C . 10311 1 886 . 1 1 74 74 LYS CA C 13 56.667 0.300 . 1 . . . . 74 LYS CA . 10311 1 887 . 1 1 74 74 LYS CB C 13 32.458 0.300 . 1 . . . . 74 LYS CB . 10311 1 888 . 1 1 74 74 LYS CD C 13 28.960 0.300 . 1 . . . . 74 LYS CD . 10311 1 889 . 1 1 74 74 LYS CE C 13 41.970 0.300 . 1 . . . . 74 LYS CE . 10311 1 890 . 1 1 74 74 LYS CG C 13 25.118 0.300 . 1 . . . . 74 LYS CG . 10311 1 891 . 1 1 74 74 LYS N N 15 126.485 0.300 . 1 . . . . 74 LYS N . 10311 1 892 . 1 1 75 75 HIS H H 1 8.551 0.030 . 1 . . . . 75 HIS H . 10311 1 893 . 1 1 75 75 HIS HA H 1 4.356 0.030 . 1 . . . . 75 HIS HA . 10311 1 894 . 1 1 75 75 HIS HB2 H 1 3.785 0.030 . 2 . . . . 75 HIS HB2 . 10311 1 895 . 1 1 75 75 HIS HB3 H 1 2.658 0.030 . 2 . . . . 75 HIS HB3 . 10311 1 896 . 1 1 75 75 HIS HD2 H 1 6.677 0.030 . 1 . . . . 75 HIS HD2 . 10311 1 897 . 1 1 75 75 HIS HE1 H 1 7.780 0.030 . 1 . . . . 75 HIS HE1 . 10311 1 898 . 1 1 75 75 HIS C C 13 176.233 0.300 . 1 . . . . 75 HIS C . 10311 1 899 . 1 1 75 75 HIS CA C 13 55.013 0.300 . 1 . . . . 75 HIS CA . 10311 1 900 . 1 1 75 75 HIS CB C 13 27.190 0.300 . 1 . . . . 75 HIS CB . 10311 1 901 . 1 1 75 75 HIS CD2 C 13 118.577 0.300 . 1 . . . . 75 HIS CD2 . 10311 1 902 . 1 1 75 75 HIS CE1 C 13 137.959 0.300 . 1 . . . . 75 HIS CE1 . 10311 1 903 . 1 1 75 75 HIS N N 15 115.837 0.300 . 1 . . . . 75 HIS N . 10311 1 904 . 1 1 76 76 THR H H 1 8.207 0.030 . 1 . . . . 76 THR H . 10311 1 905 . 1 1 76 76 THR HA H 1 5.527 0.030 . 1 . . . . 76 THR HA . 10311 1 906 . 1 1 76 76 THR HB H 1 3.988 0.030 . 1 . . . . 76 THR HB . 10311 1 907 . 1 1 76 76 THR HG21 H 1 1.347 0.030 . 1 . . . . 76 THR HG2 . 10311 1 908 . 1 1 76 76 THR HG22 H 1 1.347 0.030 . 1 . . . . 76 THR HG2 . 10311 1 909 . 1 1 76 76 THR HG23 H 1 1.347 0.030 . 1 . . . . 76 THR HG2 . 10311 1 910 . 1 1 76 76 THR C C 13 174.969 0.300 . 1 . . . . 76 THR C . 10311 1 911 . 1 1 76 76 THR CA C 13 62.069 0.300 . 1 . . . . 76 THR CA . 10311 1 912 . 1 1 76 76 THR CB C 13 69.518 0.300 . 1 . . . . 76 THR CB . 10311 1 913 . 1 1 76 76 THR CG2 C 13 23.262 0.300 . 1 . . . . 76 THR CG2 . 10311 1 914 . 1 1 76 76 THR N N 15 114.351 0.300 . 1 . . . . 76 THR N . 10311 1 915 . 1 1 77 77 PHE H H 1 9.744 0.030 . 1 . . . . 77 PHE H . 10311 1 916 . 1 1 77 77 PHE HA H 1 5.277 0.030 . 1 . . . . 77 PHE HA . 10311 1 917 . 1 1 77 77 PHE HB2 H 1 3.077 0.030 . 1 . . . . 77 PHE HB2 . 10311 1 918 . 1 1 77 77 PHE HB3 H 1 3.077 0.030 . 1 . . . . 77 PHE HB3 . 10311 1 919 . 1 1 77 77 PHE HD1 H 1 7.064 0.030 . 1 . . . . 77 PHE HD1 . 10311 1 920 . 1 1 77 77 PHE HD2 H 1 7.064 0.030 . 1 . . . . 77 PHE HD2 . 10311 1 921 . 1 1 77 77 PHE HE1 H 1 6.970 0.030 . 1 . . . . 77 PHE HE1 . 10311 1 922 . 1 1 77 77 PHE HE2 H 1 6.970 0.030 . 1 . . . . 77 PHE HE2 . 10311 1 923 . 1 1 77 77 PHE HZ H 1 6.488 0.030 . 1 . . . . 77 PHE HZ . 10311 1 924 . 1 1 77 77 PHE C C 13 170.774 0.300 . 1 . . . . 77 PHE C . 10311 1 925 . 1 1 77 77 PHE CA C 13 55.998 0.300 . 1 . . . . 77 PHE CA . 10311 1 926 . 1 1 77 77 PHE CB C 13 41.724 0.300 . 1 . . . . 77 PHE CB . 10311 1 927 . 1 1 77 77 PHE CD1 C 13 132.966 0.300 . 1 . . . . 77 PHE CD1 . 10311 1 928 . 1 1 77 77 PHE CD2 C 13 132.966 0.300 . 1 . . . . 77 PHE CD2 . 10311 1 929 . 1 1 77 77 PHE CE1 C 13 130.393 0.300 . 1 . . . . 77 PHE CE1 . 10311 1 930 . 1 1 77 77 PHE CE2 C 13 130.393 0.300 . 1 . . . . 77 PHE CE2 . 10311 1 931 . 1 1 77 77 PHE CZ C 13 130.409 0.300 . 1 . . . . 77 PHE CZ . 10311 1 932 . 1 1 77 77 PHE N N 15 123.630 0.300 . 1 . . . . 77 PHE N . 10311 1 933 . 1 1 78 78 LYS H H 1 9.537 0.030 . 1 . . . . 78 LYS H . 10311 1 934 . 1 1 78 78 LYS HA H 1 5.548 0.030 . 1 . . . . 78 LYS HA . 10311 1 935 . 1 1 78 78 LYS HB2 H 1 1.427 0.030 . 2 . . . . 78 LYS HB2 . 10311 1 936 . 1 1 78 78 LYS HB3 H 1 1.178 0.030 . 2 . . . . 78 LYS HB3 . 10311 1 937 . 1 1 78 78 LYS HD2 H 1 1.560 0.030 . 2 . . . . 78 LYS HD2 . 10311 1 938 . 1 1 78 78 LYS HD3 H 1 1.424 0.030 . 2 . . . . 78 LYS HD3 . 10311 1 939 . 1 1 78 78 LYS HE2 H 1 2.957 0.030 . 2 . . . . 78 LYS HE2 . 10311 1 940 . 1 1 78 78 LYS HE3 H 1 2.787 0.030 . 2 . . . . 78 LYS HE3 . 10311 1 941 . 1 1 78 78 LYS HG2 H 1 1.346 0.030 . 2 . . . . 78 LYS HG2 . 10311 1 942 . 1 1 78 78 LYS HG3 H 1 1.087 0.030 . 2 . . . . 78 LYS HG3 . 10311 1 943 . 1 1 78 78 LYS C C 13 173.605 0.300 . 1 . . . . 78 LYS C . 10311 1 944 . 1 1 78 78 LYS CA C 13 53.237 0.300 . 1 . . . . 78 LYS CA . 10311 1 945 . 1 1 78 78 LYS CB C 13 37.487 0.300 . 1 . . . . 78 LYS CB . 10311 1 946 . 1 1 78 78 LYS CD C 13 30.631 0.300 . 1 . . . . 78 LYS CD . 10311 1 947 . 1 1 78 78 LYS CE C 13 42.242 0.300 . 1 . . . . 78 LYS CE . 10311 1 948 . 1 1 78 78 LYS CG C 13 23.371 0.300 . 1 . . . . 78 LYS CG . 10311 1 949 . 1 1 78 78 LYS N N 15 117.538 0.300 . 1 . . . . 78 LYS N . 10311 1 950 . 1 1 79 79 ALA H H 1 8.699 0.030 . 1 . . . . 79 ALA H . 10311 1 951 . 1 1 79 79 ALA HA H 1 5.387 0.030 . 1 . . . . 79 ALA HA . 10311 1 952 . 1 1 79 79 ALA HB1 H 1 1.368 0.030 . 1 . . . . 79 ALA HB . 10311 1 953 . 1 1 79 79 ALA HB2 H 1 1.368 0.030 . 1 . . . . 79 ALA HB . 10311 1 954 . 1 1 79 79 ALA HB3 H 1 1.368 0.030 . 1 . . . . 79 ALA HB . 10311 1 955 . 1 1 79 79 ALA C C 13 175.106 0.300 . 1 . . . . 79 ALA C . 10311 1 956 . 1 1 79 79 ALA CA C 13 50.360 0.300 . 1 . . . . 79 ALA CA . 10311 1 957 . 1 1 79 79 ALA CB C 13 21.026 0.300 . 1 . . . . 79 ALA CB . 10311 1 958 . 1 1 79 79 ALA N N 15 122.563 0.300 . 1 . . . . 79 ALA N . 10311 1 959 . 1 1 80 80 GLU H H 1 9.436 0.030 . 1 . . . . 80 GLU H . 10311 1 960 . 1 1 80 80 GLU HA H 1 4.938 0.030 . 1 . . . . 80 GLU HA . 10311 1 961 . 1 1 80 80 GLU HB2 H 1 1.823 0.030 . 2 . . . . 80 GLU HB2 . 10311 1 962 . 1 1 80 80 GLU HB3 H 1 2.047 0.030 . 2 . . . . 80 GLU HB3 . 10311 1 963 . 1 1 80 80 GLU HG2 H 1 2.148 0.030 . 2 . . . . 80 GLU HG2 . 10311 1 964 . 1 1 80 80 GLU HG3 H 1 1.986 0.030 . 2 . . . . 80 GLU HG3 . 10311 1 965 . 1 1 80 80 GLU C C 13 174.255 0.300 . 1 . . . . 80 GLU C . 10311 1 966 . 1 1 80 80 GLU CA C 13 54.820 0.300 . 1 . . . . 80 GLU CA . 10311 1 967 . 1 1 80 80 GLU CB C 13 34.625 0.300 . 1 . . . . 80 GLU CB . 10311 1 968 . 1 1 80 80 GLU CG C 13 35.990 0.300 . 1 . . . . 80 GLU CG . 10311 1 969 . 1 1 80 80 GLU N N 15 123.980 0.300 . 1 . . . . 80 GLU N . 10311 1 970 . 1 1 81 81 HIS H H 1 8.787 0.030 . 1 . . . . 81 HIS H . 10311 1 971 . 1 1 81 81 HIS HA H 1 4.466 0.030 . 1 . . . . 81 HIS HA . 10311 1 972 . 1 1 81 81 HIS HB2 H 1 1.268 0.030 . 2 . . . . 81 HIS HB2 . 10311 1 973 . 1 1 81 81 HIS HB3 H 1 2.417 0.030 . 2 . . . . 81 HIS HB3 . 10311 1 974 . 1 1 81 81 HIS HD2 H 1 6.684 0.030 . 1 . . . . 81 HIS HD2 . 10311 1 975 . 1 1 81 81 HIS HE1 H 1 7.875 0.030 . 1 . . . . 81 HIS HE1 . 10311 1 976 . 1 1 81 81 HIS CA C 13 53.897 0.300 . 1 . . . . 81 HIS CA . 10311 1 977 . 1 1 81 81 HIS CB C 13 30.416 0.300 . 1 . . . . 81 HIS CB . 10311 1 978 . 1 1 81 81 HIS CD2 C 13 118.502 0.300 . 1 . . . . 81 HIS CD2 . 10311 1 979 . 1 1 81 81 HIS CE1 C 13 138.039 0.300 . 1 . . . . 81 HIS CE1 . 10311 1 980 . 1 1 81 81 HIS N N 15 127.380 0.300 . 1 . . . . 81 HIS N . 10311 1 981 . 1 1 82 82 ALA H H 1 8.728 0.030 . 1 . . . . 82 ALA H . 10311 1 982 . 1 1 82 82 ALA HA H 1 3.990 0.030 . 1 . . . . 82 ALA HA . 10311 1 983 . 1 1 82 82 ALA HB1 H 1 1.290 0.030 . 1 . . . . 82 ALA HB . 10311 1 984 . 1 1 82 82 ALA HB2 H 1 1.290 0.030 . 1 . . . . 82 ALA HB . 10311 1 985 . 1 1 82 82 ALA HB3 H 1 1.290 0.030 . 1 . . . . 82 ALA HB . 10311 1 986 . 1 1 82 82 ALA CA C 13 54.546 0.300 . 1 . . . . 82 ALA CA . 10311 1 987 . 1 1 82 82 ALA CB C 13 18.011 0.300 . 1 . . . . 82 ALA CB . 10311 1 988 . 1 1 82 82 ALA N N 15 129.630 0.300 . 1 . . . . 82 ALA N . 10311 1 989 . 1 1 83 83 GLY H H 1 9.036 0.030 . 1 . . . . 83 GLY H . 10311 1 990 . 1 1 83 83 GLY HA2 H 1 4.038 0.030 . 2 . . . . 83 GLY HA2 . 10311 1 991 . 1 1 83 83 GLY HA3 H 1 3.687 0.030 . 2 . . . . 83 GLY HA3 . 10311 1 992 . 1 1 83 83 GLY C C 13 173.674 0.300 . 1 . . . . 83 GLY C . 10311 1 993 . 1 1 83 83 GLY CA C 13 45.393 0.300 . 1 . . . . 83 GLY CA . 10311 1 994 . 1 1 83 83 GLY N N 15 111.096 0.300 . 1 . . . . 83 GLY N . 10311 1 995 . 1 1 84 84 VAL H H 1 8.106 0.030 . 1 . . . . 84 VAL H . 10311 1 996 . 1 1 84 84 VAL HA H 1 4.089 0.030 . 1 . . . . 84 VAL HA . 10311 1 997 . 1 1 84 84 VAL HB H 1 1.397 0.030 . 1 . . . . 84 VAL HB . 10311 1 998 . 1 1 84 84 VAL HG11 H 1 0.407 0.030 . 1 . . . . 84 VAL HG1 . 10311 1 999 . 1 1 84 84 VAL HG12 H 1 0.407 0.030 . 1 . . . . 84 VAL HG1 . 10311 1 1000 . 1 1 84 84 VAL HG13 H 1 0.407 0.030 . 1 . . . . 84 VAL HG1 . 10311 1 1001 . 1 1 84 84 VAL HG21 H 1 0.848 0.030 . 1 . . . . 84 VAL HG2 . 10311 1 1002 . 1 1 84 84 VAL HG22 H 1 0.848 0.030 . 1 . . . . 84 VAL HG2 . 10311 1 1003 . 1 1 84 84 VAL HG23 H 1 0.848 0.030 . 1 . . . . 84 VAL HG2 . 10311 1 1004 . 1 1 84 84 VAL C C 13 175.296 0.300 . 1 . . . . 84 VAL C . 10311 1 1005 . 1 1 84 84 VAL CA C 13 63.033 0.300 . 1 . . . . 84 VAL CA . 10311 1 1006 . 1 1 84 84 VAL CB C 13 34.468 0.300 . 1 . . . . 84 VAL CB . 10311 1 1007 . 1 1 84 84 VAL CG1 C 13 20.142 0.300 . 2 . . . . 84 VAL CG1 . 10311 1 1008 . 1 1 84 84 VAL CG2 C 13 20.996 0.300 . 2 . . . . 84 VAL CG2 . 10311 1 1009 . 1 1 84 84 VAL N N 15 120.072 0.300 . 1 . . . . 84 VAL N . 10311 1 1010 . 1 1 85 85 ARG H H 1 8.158 0.030 . 1 . . . . 85 ARG H . 10311 1 1011 . 1 1 85 85 ARG HA H 1 4.326 0.030 . 1 . . . . 85 ARG HA . 10311 1 1012 . 1 1 85 85 ARG HB2 H 1 1.736 0.030 . 2 . . . . 85 ARG HB2 . 10311 1 1013 . 1 1 85 85 ARG HB3 H 1 1.700 0.030 . 2 . . . . 85 ARG HB3 . 10311 1 1014 . 1 1 85 85 ARG HD2 H 1 3.111 0.030 . 1 . . . . 85 ARG HD2 . 10311 1 1015 . 1 1 85 85 ARG HD3 H 1 3.111 0.030 . 1 . . . . 85 ARG HD3 . 10311 1 1016 . 1 1 85 85 ARG HG2 H 1 1.397 0.030 . 2 . . . . 85 ARG HG2 . 10311 1 1017 . 1 1 85 85 ARG HG3 H 1 1.310 0.030 . 2 . . . . 85 ARG HG3 . 10311 1 1018 . 1 1 85 85 ARG C C 13 173.868 0.300 . 1 . . . . 85 ARG C . 10311 1 1019 . 1 1 85 85 ARG CA C 13 56.297 0.300 . 1 . . . . 85 ARG CA . 10311 1 1020 . 1 1 85 85 ARG CB C 13 31.755 0.300 . 1 . . . . 85 ARG CB . 10311 1 1021 . 1 1 85 85 ARG CD C 13 43.182 0.300 . 1 . . . . 85 ARG CD . 10311 1 1022 . 1 1 85 85 ARG CG C 13 26.516 0.300 . 1 . . . . 85 ARG CG . 10311 1 1023 . 1 1 85 85 ARG N N 15 120.819 0.300 . 1 . . . . 85 ARG N . 10311 1 1024 . 1 1 86 86 THR H H 1 8.218 0.030 . 1 . . . . 86 THR H . 10311 1 1025 . 1 1 86 86 THR HA H 1 4.517 0.030 . 1 . . . . 86 THR HA . 10311 1 1026 . 1 1 86 86 THR HB H 1 3.616 0.030 . 1 . . . . 86 THR HB . 10311 1 1027 . 1 1 86 86 THR HG21 H 1 0.436 0.030 . 1 . . . . 86 THR HG2 . 10311 1 1028 . 1 1 86 86 THR HG22 H 1 0.436 0.030 . 1 . . . . 86 THR HG2 . 10311 1 1029 . 1 1 86 86 THR HG23 H 1 0.436 0.030 . 1 . . . . 86 THR HG2 . 10311 1 1030 . 1 1 86 86 THR C C 13 172.827 0.300 . 1 . . . . 86 THR C . 10311 1 1031 . 1 1 86 86 THR CA C 13 62.470 0.300 . 1 . . . . 86 THR CA . 10311 1 1032 . 1 1 86 86 THR CB C 13 70.449 0.300 . 1 . . . . 86 THR CB . 10311 1 1033 . 1 1 86 86 THR CG2 C 13 23.693 0.300 . 1 . . . . 86 THR CG2 . 10311 1 1034 . 1 1 86 86 THR N N 15 119.798 0.300 . 1 . . . . 86 THR N . 10311 1 1035 . 1 1 87 87 TYR H H 1 8.519 0.030 . 1 . . . . 87 TYR H . 10311 1 1036 . 1 1 87 87 TYR HA H 1 4.377 0.030 . 1 . . . . 87 TYR HA . 10311 1 1037 . 1 1 87 87 TYR HB2 H 1 2.447 0.030 . 2 . . . . 87 TYR HB2 . 10311 1 1038 . 1 1 87 87 TYR HB3 H 1 2.197 0.030 . 2 . . . . 87 TYR HB3 . 10311 1 1039 . 1 1 87 87 TYR HD1 H 1 6.956 0.030 . 1 . . . . 87 TYR HD1 . 10311 1 1040 . 1 1 87 87 TYR HD2 H 1 6.956 0.030 . 1 . . . . 87 TYR HD2 . 10311 1 1041 . 1 1 87 87 TYR HE1 H 1 6.787 0.030 . 1 . . . . 87 TYR HE1 . 10311 1 1042 . 1 1 87 87 TYR HE2 H 1 6.787 0.030 . 1 . . . . 87 TYR HE2 . 10311 1 1043 . 1 1 87 87 TYR C C 13 173.516 0.300 . 1 . . . . 87 TYR C . 10311 1 1044 . 1 1 87 87 TYR CA C 13 56.702 0.300 . 1 . . . . 87 TYR CA . 10311 1 1045 . 1 1 87 87 TYR CB C 13 42.011 0.300 . 1 . . . . 87 TYR CB . 10311 1 1046 . 1 1 87 87 TYR CD1 C 13 132.783 0.300 . 1 . . . . 87 TYR CD1 . 10311 1 1047 . 1 1 87 87 TYR CD2 C 13 132.783 0.300 . 1 . . . . 87 TYR CD2 . 10311 1 1048 . 1 1 87 87 TYR CE1 C 13 118.327 0.300 . 1 . . . . 87 TYR CE1 . 10311 1 1049 . 1 1 87 87 TYR CE2 C 13 118.327 0.300 . 1 . . . . 87 TYR CE2 . 10311 1 1050 . 1 1 87 87 TYR N N 15 125.197 0.300 . 1 . . . . 87 TYR N . 10311 1 1051 . 1 1 88 88 PHE H H 1 8.242 0.030 . 1 . . . . 88 PHE H . 10311 1 1052 . 1 1 88 88 PHE HA H 1 4.876 0.030 . 1 . . . . 88 PHE HA . 10311 1 1053 . 1 1 88 88 PHE HB2 H 1 2.727 0.030 . 2 . . . . 88 PHE HB2 . 10311 1 1054 . 1 1 88 88 PHE HB3 H 1 2.378 0.030 . 2 . . . . 88 PHE HB3 . 10311 1 1055 . 1 1 88 88 PHE HD1 H 1 6.906 0.030 . 1 . . . . 88 PHE HD1 . 10311 1 1056 . 1 1 88 88 PHE HD2 H 1 6.906 0.030 . 1 . . . . 88 PHE HD2 . 10311 1 1057 . 1 1 88 88 PHE HE1 H 1 7.121 0.030 . 1 . . . . 88 PHE HE1 . 10311 1 1058 . 1 1 88 88 PHE HE2 H 1 7.121 0.030 . 1 . . . . 88 PHE HE2 . 10311 1 1059 . 1 1 88 88 PHE HZ H 1 7.266 0.030 . 1 . . . . 88 PHE HZ . 10311 1 1060 . 1 1 88 88 PHE C C 13 173.734 0.300 . 1 . . . . 88 PHE C . 10311 1 1061 . 1 1 88 88 PHE CA C 13 57.265 0.300 . 1 . . . . 88 PHE CA . 10311 1 1062 . 1 1 88 88 PHE CB C 13 42.710 0.300 . 1 . . . . 88 PHE CB . 10311 1 1063 . 1 1 88 88 PHE CD1 C 13 131.785 0.300 . 1 . . . . 88 PHE CD1 . 10311 1 1064 . 1 1 88 88 PHE CD2 C 13 131.785 0.300 . 1 . . . . 88 PHE CD2 . 10311 1 1065 . 1 1 88 88 PHE CE1 C 13 131.069 0.300 . 1 . . . . 88 PHE CE1 . 10311 1 1066 . 1 1 88 88 PHE CE2 C 13 131.069 0.300 . 1 . . . . 88 PHE CE2 . 10311 1 1067 . 1 1 88 88 PHE CZ C 13 129.654 0.300 . 1 . . . . 88 PHE CZ . 10311 1 1068 . 1 1 88 88 PHE N N 15 118.353 0.300 . 1 . . . . 88 PHE N . 10311 1 1069 . 1 1 89 89 PHE H H 1 8.607 0.030 . 1 . . . . 89 PHE H . 10311 1 1070 . 1 1 89 89 PHE HA H 1 5.627 0.030 . 1 . . . . 89 PHE HA . 10311 1 1071 . 1 1 89 89 PHE HB2 H 1 2.147 0.030 . 2 . . . . 89 PHE HB2 . 10311 1 1072 . 1 1 89 89 PHE HB3 H 1 0.767 0.030 . 2 . . . . 89 PHE HB3 . 10311 1 1073 . 1 1 89 89 PHE HD1 H 1 6.235 0.030 . 1 . . . . 89 PHE HD1 . 10311 1 1074 . 1 1 89 89 PHE HD2 H 1 6.235 0.030 . 1 . . . . 89 PHE HD2 . 10311 1 1075 . 1 1 89 89 PHE HE1 H 1 6.548 0.030 . 1 . . . . 89 PHE HE1 . 10311 1 1076 . 1 1 89 89 PHE HE2 H 1 6.548 0.030 . 1 . . . . 89 PHE HE2 . 10311 1 1077 . 1 1 89 89 PHE HZ H 1 6.294 0.030 . 1 . . . . 89 PHE HZ . 10311 1 1078 . 1 1 89 89 PHE C C 13 174.425 0.300 . 1 . . . . 89 PHE C . 10311 1 1079 . 1 1 89 89 PHE CA C 13 54.468 0.300 . 1 . . . . 89 PHE CA . 10311 1 1080 . 1 1 89 89 PHE CB C 13 43.368 0.300 . 1 . . . . 89 PHE CB . 10311 1 1081 . 1 1 89 89 PHE CD1 C 13 132.051 0.300 . 1 . . . . 89 PHE CD1 . 10311 1 1082 . 1 1 89 89 PHE CD2 C 13 132.051 0.300 . 1 . . . . 89 PHE CD2 . 10311 1 1083 . 1 1 89 89 PHE CE1 C 13 129.388 0.300 . 1 . . . . 89 PHE CE1 . 10311 1 1084 . 1 1 89 89 PHE CE2 C 13 129.388 0.300 . 1 . . . . 89 PHE CE2 . 10311 1 1085 . 1 1 89 89 PHE CZ C 13 127.375 0.300 . 1 . . . . 89 PHE CZ . 10311 1 1086 . 1 1 89 89 PHE N N 15 118.569 0.300 . 1 . . . . 89 PHE N . 10311 1 1087 . 1 1 90 90 SER H H 1 9.326 0.030 . 1 . . . . 90 SER H . 10311 1 1088 . 1 1 90 90 SER HA H 1 5.279 0.030 . 1 . . . . 90 SER HA . 10311 1 1089 . 1 1 90 90 SER HB2 H 1 3.416 0.030 . 2 . . . . 90 SER HB2 . 10311 1 1090 . 1 1 90 90 SER HB3 H 1 3.067 0.030 . 2 . . . . 90 SER HB3 . 10311 1 1091 . 1 1 90 90 SER C C 13 173.506 0.300 . 1 . . . . 90 SER C . 10311 1 1092 . 1 1 90 90 SER CA C 13 57.029 0.300 . 1 . . . . 90 SER CA . 10311 1 1093 . 1 1 90 90 SER CB C 13 65.200 0.300 . 1 . . . . 90 SER CB . 10311 1 1094 . 1 1 90 90 SER N N 15 113.760 0.300 . 1 . . . . 90 SER N . 10311 1 1095 . 1 1 91 91 ALA H H 1 8.533 0.030 . 1 . . . . 91 ALA H . 10311 1 1096 . 1 1 91 91 ALA HA H 1 5.227 0.030 . 1 . . . . 91 ALA HA . 10311 1 1097 . 1 1 91 91 ALA HB1 H 1 1.785 0.030 . 1 . . . . 91 ALA HB . 10311 1 1098 . 1 1 91 91 ALA HB2 H 1 1.785 0.030 . 1 . . . . 91 ALA HB . 10311 1 1099 . 1 1 91 91 ALA HB3 H 1 1.785 0.030 . 1 . . . . 91 ALA HB . 10311 1 1100 . 1 1 91 91 ALA C C 13 176.540 0.300 . 1 . . . . 91 ALA C . 10311 1 1101 . 1 1 91 91 ALA CA C 13 50.106 0.300 . 1 . . . . 91 ALA CA . 10311 1 1102 . 1 1 91 91 ALA CB C 13 22.289 0.300 . 1 . . . . 91 ALA CB . 10311 1 1103 . 1 1 91 91 ALA N N 15 128.904 0.300 . 1 . . . . 91 ALA N . 10311 1 1104 . 1 1 92 92 GLU H H 1 9.214 0.030 . 1 . . . . 92 GLU H . 10311 1 1105 . 1 1 92 92 GLU HA H 1 4.477 0.030 . 1 . . . . 92 GLU HA . 10311 1 1106 . 1 1 92 92 GLU HB2 H 1 2.308 0.030 . 2 . . . . 92 GLU HB2 . 10311 1 1107 . 1 1 92 92 GLU HB3 H 1 2.209 0.030 . 2 . . . . 92 GLU HB3 . 10311 1 1108 . 1 1 92 92 GLU HG2 H 1 2.557 0.030 . 2 . . . . 92 GLU HG2 . 10311 1 1109 . 1 1 92 92 GLU HG3 H 1 2.357 0.030 . 2 . . . . 92 GLU HG3 . 10311 1 1110 . 1 1 92 92 GLU C C 13 175.729 0.300 . 1 . . . . 92 GLU C . 10311 1 1111 . 1 1 92 92 GLU CA C 13 57.510 0.300 . 1 . . . . 92 GLU CA . 10311 1 1112 . 1 1 92 92 GLU CB C 13 30.991 0.300 . 1 . . . . 92 GLU CB . 10311 1 1113 . 1 1 92 92 GLU CG C 13 37.516 0.300 . 1 . . . . 92 GLU CG . 10311 1 1114 . 1 1 92 92 GLU N N 15 114.727 0.300 . 1 . . . . 92 GLU N . 10311 1 1115 . 1 1 93 93 SER H H 1 7.435 0.030 . 1 . . . . 93 SER H . 10311 1 1116 . 1 1 93 93 SER HA H 1 4.277 0.030 . 1 . . . . 93 SER HA . 10311 1 1117 . 1 1 93 93 SER HB2 H 1 3.857 0.030 . 2 . . . . 93 SER HB2 . 10311 1 1118 . 1 1 93 93 SER HB3 H 1 4.217 0.030 . 2 . . . . 93 SER HB3 . 10311 1 1119 . 1 1 93 93 SER C C 13 171.712 0.300 . 1 . . . . 93 SER C . 10311 1 1120 . 1 1 93 93 SER CA C 13 55.242 0.300 . 1 . . . . 93 SER CA . 10311 1 1121 . 1 1 93 93 SER CB C 13 64.084 0.300 . 1 . . . . 93 SER CB . 10311 1 1122 . 1 1 93 93 SER N N 15 110.644 0.300 . 1 . . . . 93 SER N . 10311 1 1123 . 1 1 94 94 PRO HA H 1 4.318 0.030 . 1 . . . . 94 PRO HA . 10311 1 1124 . 1 1 94 94 PRO HB2 H 1 2.497 0.030 . 2 . . . . 94 PRO HB2 . 10311 1 1125 . 1 1 94 94 PRO HB3 H 1 1.986 0.030 . 2 . . . . 94 PRO HB3 . 10311 1 1126 . 1 1 94 94 PRO HD2 H 1 3.322 0.030 . 2 . . . . 94 PRO HD2 . 10311 1 1127 . 1 1 94 94 PRO HD3 H 1 3.877 0.030 . 2 . . . . 94 PRO HD3 . 10311 1 1128 . 1 1 94 94 PRO HG2 H 1 2.239 0.030 . 2 . . . . 94 PRO HG2 . 10311 1 1129 . 1 1 94 94 PRO HG3 H 1 2.117 0.030 . 2 . . . . 94 PRO HG3 . 10311 1 1130 . 1 1 94 94 PRO C C 13 178.994 0.300 . 1 . . . . 94 PRO C . 10311 1 1131 . 1 1 94 94 PRO CA C 13 64.696 0.300 . 1 . . . . 94 PRO CA . 10311 1 1132 . 1 1 94 94 PRO CB C 13 31.686 0.300 . 1 . . . . 94 PRO CB . 10311 1 1133 . 1 1 94 94 PRO CD C 13 50.541 0.300 . 1 . . . . 94 PRO CD . 10311 1 1134 . 1 1 94 94 PRO CG C 13 27.637 0.300 . 1 . . . . 94 PRO CG . 10311 1 1135 . 1 1 95 95 GLU H H 1 8.943 0.030 . 1 . . . . 95 GLU H . 10311 1 1136 . 1 1 95 95 GLU HA H 1 4.026 0.030 . 1 . . . . 95 GLU HA . 10311 1 1137 . 1 1 95 95 GLU HB2 H 1 2.067 0.030 . 2 . . . . 95 GLU HB2 . 10311 1 1138 . 1 1 95 95 GLU HB3 H 1 1.914 0.030 . 2 . . . . 95 GLU HB3 . 10311 1 1139 . 1 1 95 95 GLU HG2 H 1 2.487 0.030 . 2 . . . . 95 GLU HG2 . 10311 1 1140 . 1 1 95 95 GLU HG3 H 1 2.257 0.030 . 2 . . . . 95 GLU HG3 . 10311 1 1141 . 1 1 95 95 GLU C C 13 180.239 0.300 . 1 . . . . 95 GLU C . 10311 1 1142 . 1 1 95 95 GLU CA C 13 60.641 0.300 . 1 . . . . 95 GLU CA . 10311 1 1143 . 1 1 95 95 GLU CB C 13 28.324 0.300 . 1 . . . . 95 GLU CB . 10311 1 1144 . 1 1 95 95 GLU CG C 13 37.038 0.300 . 1 . . . . 95 GLU CG . 10311 1 1145 . 1 1 95 95 GLU N N 15 118.119 0.300 . 1 . . . . 95 GLU N . 10311 1 1146 . 1 1 96 96 GLU H H 1 7.806 0.030 . 1 . . . . 96 GLU H . 10311 1 1147 . 1 1 96 96 GLU HA H 1 4.378 0.030 . 1 . . . . 96 GLU HA . 10311 1 1148 . 1 1 96 96 GLU HB2 H 1 2.385 0.030 . 2 . . . . 96 GLU HB2 . 10311 1 1149 . 1 1 96 96 GLU HB3 H 1 2.115 0.030 . 2 . . . . 96 GLU HB3 . 10311 1 1150 . 1 1 96 96 GLU HG2 H 1 2.511 0.030 . 2 . . . . 96 GLU HG2 . 10311 1 1151 . 1 1 96 96 GLU HG3 H 1 2.307 0.030 . 2 . . . . 96 GLU HG3 . 10311 1 1152 . 1 1 96 96 GLU C C 13 177.981 0.300 . 1 . . . . 96 GLU C . 10311 1 1153 . 1 1 96 96 GLU CA C 13 58.513 0.300 . 1 . . . . 96 GLU CA . 10311 1 1154 . 1 1 96 96 GLU CB C 13 31.063 0.300 . 1 . . . . 96 GLU CB . 10311 1 1155 . 1 1 96 96 GLU CG C 13 37.404 0.300 . 1 . . . . 96 GLU CG . 10311 1 1156 . 1 1 96 96 GLU N N 15 120.063 0.300 . 1 . . . . 96 GLU N . 10311 1 1157 . 1 1 97 97 GLN H H 1 7.981 0.030 . 1 . . . . 97 GLN H . 10311 1 1158 . 1 1 97 97 GLN HA H 1 3.698 0.030 . 1 . . . . 97 GLN HA . 10311 1 1159 . 1 1 97 97 GLN HB2 H 1 2.803 0.030 . 2 . . . . 97 GLN HB2 . 10311 1 1160 . 1 1 97 97 GLN HB3 H 1 2.068 0.030 . 2 . . . . 97 GLN HB3 . 10311 1 1161 . 1 1 97 97 GLN HE21 H 1 7.381 0.030 . 2 . . . . 97 GLN HE21 . 10311 1 1162 . 1 1 97 97 GLN HE22 H 1 6.799 0.030 . 2 . . . . 97 GLN HE22 . 10311 1 1163 . 1 1 97 97 GLN HG2 H 1 2.206 0.030 . 2 . . . . 97 GLN HG2 . 10311 1 1164 . 1 1 97 97 GLN HG3 H 1 2.013 0.030 . 2 . . . . 97 GLN HG3 . 10311 1 1165 . 1 1 97 97 GLN C C 13 176.607 0.300 . 1 . . . . 97 GLN C . 10311 1 1166 . 1 1 97 97 GLN CA C 13 59.815 0.300 . 1 . . . . 97 GLN CA . 10311 1 1167 . 1 1 97 97 GLN CB C 13 28.571 0.300 . 1 . . . . 97 GLN CB . 10311 1 1168 . 1 1 97 97 GLN CG C 13 33.010 0.300 . 1 . . . . 97 GLN CG . 10311 1 1169 . 1 1 97 97 GLN N N 15 121.474 0.300 . 1 . . . . 97 GLN N . 10311 1 1170 . 1 1 97 97 GLN NE2 N 15 110.578 0.300 . 1 . . . . 97 GLN NE2 . 10311 1 1171 . 1 1 98 98 GLU H H 1 8.157 0.030 . 1 . . . . 98 GLU H . 10311 1 1172 . 1 1 98 98 GLU HA H 1 3.856 0.030 . 1 . . . . 98 GLU HA . 10311 1 1173 . 1 1 98 98 GLU HB2 H 1 2.043 0.030 . 2 . . . . 98 GLU HB2 . 10311 1 1174 . 1 1 98 98 GLU HB3 H 1 1.973 0.030 . 2 . . . . 98 GLU HB3 . 10311 1 1175 . 1 1 98 98 GLU HG2 H 1 2.238 0.030 . 2 . . . . 98 GLU HG2 . 10311 1 1176 . 1 1 98 98 GLU HG3 H 1 2.327 0.030 . 2 . . . . 98 GLU HG3 . 10311 1 1177 . 1 1 98 98 GLU C C 13 178.574 0.300 . 1 . . . . 98 GLU C . 10311 1 1178 . 1 1 98 98 GLU CA C 13 59.227 0.300 . 1 . . . . 98 GLU CA . 10311 1 1179 . 1 1 98 98 GLU CB C 13 29.265 0.300 . 1 . . . . 98 GLU CB . 10311 1 1180 . 1 1 98 98 GLU CG C 13 35.830 0.300 . 1 . . . . 98 GLU CG . 10311 1 1181 . 1 1 98 98 GLU N N 15 117.219 0.300 . 1 . . . . 98 GLU N . 10311 1 1182 . 1 1 99 99 ALA H H 1 7.947 0.030 . 1 . . . . 99 ALA H . 10311 1 1183 . 1 1 99 99 ALA HA H 1 4.026 0.030 . 1 . . . . 99 ALA HA . 10311 1 1184 . 1 1 99 99 ALA HB1 H 1 1.288 0.030 . 1 . . . . 99 ALA HB . 10311 1 1185 . 1 1 99 99 ALA HB2 H 1 1.288 0.030 . 1 . . . . 99 ALA HB . 10311 1 1186 . 1 1 99 99 ALA HB3 H 1 1.288 0.030 . 1 . . . . 99 ALA HB . 10311 1 1187 . 1 1 99 99 ALA C C 13 181.711 0.300 . 1 . . . . 99 ALA C . 10311 1 1188 . 1 1 99 99 ALA CA C 13 54.908 0.300 . 1 . . . . 99 ALA CA . 10311 1 1189 . 1 1 99 99 ALA CB C 13 18.285 0.300 . 1 . . . . 99 ALA CB . 10311 1 1190 . 1 1 99 99 ALA N N 15 120.908 0.300 . 1 . . . . 99 ALA N . 10311 1 1191 . 1 1 100 100 TRP H H 1 8.407 0.030 . 1 . . . . 100 TRP H . 10311 1 1192 . 1 1 100 100 TRP HA H 1 4.047 0.030 . 1 . . . . 100 TRP HA . 10311 1 1193 . 1 1 100 100 TRP HB2 H 1 2.797 0.030 . 1 . . . . 100 TRP HB2 . 10311 1 1194 . 1 1 100 100 TRP HB3 H 1 2.797 0.030 . 1 . . . . 100 TRP HB3 . 10311 1 1195 . 1 1 100 100 TRP HD1 H 1 7.187 0.030 . 1 . . . . 100 TRP HD1 . 10311 1 1196 . 1 1 100 100 TRP HE1 H 1 10.948 0.030 . 1 . . . . 100 TRP HE1 . 10311 1 1197 . 1 1 100 100 TRP HE3 H 1 7.137 0.030 . 1 . . . . 100 TRP HE3 . 10311 1 1198 . 1 1 100 100 TRP HH2 H 1 6.566 0.030 . 1 . . . . 100 TRP HH2 . 10311 1 1199 . 1 1 100 100 TRP HZ2 H 1 6.714 0.030 . 1 . . . . 100 TRP HZ2 . 10311 1 1200 . 1 1 100 100 TRP HZ3 H 1 6.528 0.030 . 1 . . . . 100 TRP HZ3 . 10311 1 1201 . 1 1 100 100 TRP C C 13 178.377 0.300 . 1 . . . . 100 TRP C . 10311 1 1202 . 1 1 100 100 TRP CA C 13 61.414 0.300 . 1 . . . . 100 TRP CA . 10311 1 1203 . 1 1 100 100 TRP CB C 13 30.649 0.300 . 1 . . . . 100 TRP CB . 10311 1 1204 . 1 1 100 100 TRP CD1 C 13 128.022 0.300 . 1 . . . . 100 TRP CD1 . 10311 1 1205 . 1 1 100 100 TRP CE3 C 13 119.448 0.300 . 1 . . . . 100 TRP CE3 . 10311 1 1206 . 1 1 100 100 TRP CH2 C 13 123.971 0.300 . 1 . . . . 100 TRP CH2 . 10311 1 1207 . 1 1 100 100 TRP CZ2 C 13 114.161 0.300 . 1 . . . . 100 TRP CZ2 . 10311 1 1208 . 1 1 100 100 TRP CZ3 C 13 120.530 0.300 . 1 . . . . 100 TRP CZ3 . 10311 1 1209 . 1 1 100 100 TRP N N 15 119.694 0.300 . 1 . . . . 100 TRP N . 10311 1 1210 . 1 1 100 100 TRP NE1 N 15 130.796 0.300 . 1 . . . . 100 TRP NE1 . 10311 1 1211 . 1 1 101 101 ILE H H 1 8.028 0.030 . 1 . . . . 101 ILE H . 10311 1 1212 . 1 1 101 101 ILE HA H 1 3.249 0.030 . 1 . . . . 101 ILE HA . 10311 1 1213 . 1 1 101 101 ILE HB H 1 1.656 0.030 . 1 . . . . 101 ILE HB . 10311 1 1214 . 1 1 101 101 ILE HD11 H 1 0.732 0.030 . 1 . . . . 101 ILE HD1 . 10311 1 1215 . 1 1 101 101 ILE HD12 H 1 0.732 0.030 . 1 . . . . 101 ILE HD1 . 10311 1 1216 . 1 1 101 101 ILE HD13 H 1 0.732 0.030 . 1 . . . . 101 ILE HD1 . 10311 1 1217 . 1 1 101 101 ILE HG12 H 1 1.087 0.030 . 2 . . . . 101 ILE HG12 . 10311 1 1218 . 1 1 101 101 ILE HG13 H 1 0.277 0.030 . 2 . . . . 101 ILE HG13 . 10311 1 1219 . 1 1 101 101 ILE HG21 H 1 0.777 0.030 . 1 . . . . 101 ILE HG2 . 10311 1 1220 . 1 1 101 101 ILE HG22 H 1 0.777 0.030 . 1 . . . . 101 ILE HG2 . 10311 1 1221 . 1 1 101 101 ILE HG23 H 1 0.777 0.030 . 1 . . . . 101 ILE HG2 . 10311 1 1222 . 1 1 101 101 ILE C C 13 179.462 0.300 . 1 . . . . 101 ILE C . 10311 1 1223 . 1 1 101 101 ILE CA C 13 65.978 0.300 . 1 . . . . 101 ILE CA . 10311 1 1224 . 1 1 101 101 ILE CB C 13 37.983 0.300 . 1 . . . . 101 ILE CB . 10311 1 1225 . 1 1 101 101 ILE CD1 C 13 15.417 0.300 . 1 . . . . 101 ILE CD1 . 10311 1 1226 . 1 1 101 101 ILE CG1 C 13 30.146 0.300 . 1 . . . . 101 ILE CG1 . 10311 1 1227 . 1 1 101 101 ILE CG2 C 13 17.187 0.300 . 1 . . . . 101 ILE CG2 . 10311 1 1228 . 1 1 101 101 ILE N N 15 120.744 0.300 . 1 . . . . 101 ILE N . 10311 1 1229 . 1 1 102 102 GLN H H 1 8.053 0.030 . 1 . . . . 102 GLN H . 10311 1 1230 . 1 1 102 102 GLN HA H 1 3.967 0.030 . 1 . . . . 102 GLN HA . 10311 1 1231 . 1 1 102 102 GLN HB2 H 1 2.027 0.030 . 1 . . . . 102 GLN HB2 . 10311 1 1232 . 1 1 102 102 GLN HB3 H 1 2.027 0.030 . 1 . . . . 102 GLN HB3 . 10311 1 1233 . 1 1 102 102 GLN HE21 H 1 7.657 0.030 . 2 . . . . 102 GLN HE21 . 10311 1 1234 . 1 1 102 102 GLN HE22 H 1 6.746 0.030 . 2 . . . . 102 GLN HE22 . 10311 1 1235 . 1 1 102 102 GLN HG2 H 1 2.342 0.030 . 2 . . . . 102 GLN HG2 . 10311 1 1236 . 1 1 102 102 GLN HG3 H 1 2.426 0.030 . 2 . . . . 102 GLN HG3 . 10311 1 1237 . 1 1 102 102 GLN C C 13 178.351 0.300 . 1 . . . . 102 GLN C . 10311 1 1238 . 1 1 102 102 GLN CA C 13 58.848 0.300 . 1 . . . . 102 GLN CA . 10311 1 1239 . 1 1 102 102 GLN CB C 13 27.980 0.300 . 1 . . . . 102 GLN CB . 10311 1 1240 . 1 1 102 102 GLN CG C 13 33.339 0.300 . 1 . . . . 102 GLN CG . 10311 1 1241 . 1 1 102 102 GLN N N 15 118.839 0.300 . 1 . . . . 102 GLN N . 10311 1 1242 . 1 1 102 102 GLN NE2 N 15 112.319 0.300 . 1 . . . . 102 GLN NE2 . 10311 1 1243 . 1 1 103 103 ALA H H 1 7.901 0.030 . 1 . . . . 103 ALA H . 10311 1 1244 . 1 1 103 103 ALA HA H 1 4.038 0.030 . 1 . . . . 103 ALA HA . 10311 1 1245 . 1 1 103 103 ALA HB1 H 1 1.123 0.030 . 1 . . . . 103 ALA HB . 10311 1 1246 . 1 1 103 103 ALA HB2 H 1 1.123 0.030 . 1 . . . . 103 ALA HB . 10311 1 1247 . 1 1 103 103 ALA HB3 H 1 1.123 0.030 . 1 . . . . 103 ALA HB . 10311 1 1248 . 1 1 103 103 ALA C C 13 180.790 0.300 . 1 . . . . 103 ALA C . 10311 1 1249 . 1 1 103 103 ALA CA C 13 55.083 0.300 . 1 . . . . 103 ALA CA . 10311 1 1250 . 1 1 103 103 ALA CB C 13 18.340 0.300 . 1 . . . . 103 ALA CB . 10311 1 1251 . 1 1 103 103 ALA N N 15 120.959 0.300 . 1 . . . . 103 ALA N . 10311 1 1252 . 1 1 104 104 MET H H 1 9.151 0.030 . 1 . . . . 104 MET H . 10311 1 1253 . 1 1 104 104 MET HA H 1 3.857 0.030 . 1 . . . . 104 MET HA . 10311 1 1254 . 1 1 104 104 MET HB2 H 1 2.347 0.030 . 2 . . . . 104 MET HB2 . 10311 1 1255 . 1 1 104 104 MET HB3 H 1 3.008 0.030 . 2 . . . . 104 MET HB3 . 10311 1 1256 . 1 1 104 104 MET HE1 H 1 1.124 0.030 . 1 . . . . 104 MET HE . 10311 1 1257 . 1 1 104 104 MET HE2 H 1 1.124 0.030 . 1 . . . . 104 MET HE . 10311 1 1258 . 1 1 104 104 MET HE3 H 1 1.124 0.030 . 1 . . . . 104 MET HE . 10311 1 1259 . 1 1 104 104 MET HG2 H 1 2.215 0.030 . 2 . . . . 104 MET HG2 . 10311 1 1260 . 1 1 104 104 MET HG3 H 1 1.846 0.030 . 2 . . . . 104 MET HG3 . 10311 1 1261 . 1 1 104 104 MET C C 13 177.644 0.300 . 1 . . . . 104 MET C . 10311 1 1262 . 1 1 104 104 MET CA C 13 60.060 0.300 . 1 . . . . 104 MET CA . 10311 1 1263 . 1 1 104 104 MET CB C 13 33.871 0.300 . 1 . . . . 104 MET CB . 10311 1 1264 . 1 1 104 104 MET CE C 13 18.340 0.300 . 1 . . . . 104 MET CE . 10311 1 1265 . 1 1 104 104 MET CG C 13 33.699 0.300 . 1 . . . . 104 MET CG . 10311 1 1266 . 1 1 104 104 MET N N 15 116.104 0.300 . 1 . . . . 104 MET N . 10311 1 1267 . 1 1 105 105 GLY H H 1 8.315 0.030 . 1 . . . . 105 GLY H . 10311 1 1268 . 1 1 105 105 GLY HA2 H 1 4.097 0.030 . 2 . . . . 105 GLY HA2 . 10311 1 1269 . 1 1 105 105 GLY HA3 H 1 3.797 0.030 . 2 . . . . 105 GLY HA3 . 10311 1 1270 . 1 1 105 105 GLY C C 13 176.696 0.300 . 1 . . . . 105 GLY C . 10311 1 1271 . 1 1 105 105 GLY CA C 13 46.870 0.300 . 1 . . . . 105 GLY CA . 10311 1 1272 . 1 1 105 105 GLY N N 15 106.087 0.300 . 1 . . . . 105 GLY N . 10311 1 1273 . 1 1 106 106 GLU H H 1 7.887 0.030 . 1 . . . . 106 GLU H . 10311 1 1274 . 1 1 106 106 GLU HA H 1 4.118 0.030 . 1 . . . . 106 GLU HA . 10311 1 1275 . 1 1 106 106 GLU HB2 H 1 2.097 0.030 . 2 . . . . 106 GLU HB2 . 10311 1 1276 . 1 1 106 106 GLU HB3 H 1 2.045 0.030 . 2 . . . . 106 GLU HB3 . 10311 1 1277 . 1 1 106 106 GLU HG2 H 1 2.358 0.030 . 2 . . . . 106 GLU HG2 . 10311 1 1278 . 1 1 106 106 GLU HG3 H 1 2.307 0.030 . 2 . . . . 106 GLU HG3 . 10311 1 1279 . 1 1 106 106 GLU C C 13 178.672 0.300 . 1 . . . . 106 GLU C . 10311 1 1280 . 1 1 106 106 GLU CA C 13 58.812 0.300 . 1 . . . . 106 GLU CA . 10311 1 1281 . 1 1 106 106 GLU CB C 13 29.229 0.300 . 1 . . . . 106 GLU CB . 10311 1 1282 . 1 1 106 106 GLU CG C 13 36.380 0.300 . 1 . . . . 106 GLU CG . 10311 1 1283 . 1 1 106 106 GLU N N 15 121.264 0.300 . 1 . . . . 106 GLU N . 10311 1 1284 . 1 1 107 107 ALA H H 1 7.527 0.030 . 1 . . . . 107 ALA H . 10311 1 1285 . 1 1 107 107 ALA HA H 1 4.137 0.030 . 1 . . . . 107 ALA HA . 10311 1 1286 . 1 1 107 107 ALA HB1 H 1 1.507 0.030 . 1 . . . . 107 ALA HB . 10311 1 1287 . 1 1 107 107 ALA HB2 H 1 1.507 0.030 . 1 . . . . 107 ALA HB . 10311 1 1288 . 1 1 107 107 ALA HB3 H 1 1.507 0.030 . 1 . . . . 107 ALA HB . 10311 1 1289 . 1 1 107 107 ALA C C 13 177.865 0.300 . 1 . . . . 107 ALA C . 10311 1 1290 . 1 1 107 107 ALA CA C 13 54.028 0.300 . 1 . . . . 107 ALA CA . 10311 1 1291 . 1 1 107 107 ALA CB C 13 19.857 0.300 . 1 . . . . 107 ALA CB . 10311 1 1292 . 1 1 107 107 ALA N N 15 121.415 0.300 . 1 . . . . 107 ALA N . 10311 1 1293 . 1 1 108 108 ALA H H 1 7.673 0.030 . 1 . . . . 108 ALA H . 10311 1 1294 . 1 1 108 108 ALA HA H 1 4.217 0.030 . 1 . . . . 108 ALA HA . 10311 1 1295 . 1 1 108 108 ALA HB1 H 1 1.647 0.030 . 1 . . . . 108 ALA HB . 10311 1 1296 . 1 1 108 108 ALA HB2 H 1 1.647 0.030 . 1 . . . . 108 ALA HB . 10311 1 1297 . 1 1 108 108 ALA HB3 H 1 1.647 0.030 . 1 . . . . 108 ALA HB . 10311 1 1298 . 1 1 108 108 ALA C C 13 178.626 0.300 . 1 . . . . 108 ALA C . 10311 1 1299 . 1 1 108 108 ALA CA C 13 52.991 0.300 . 1 . . . . 108 ALA CA . 10311 1 1300 . 1 1 108 108 ALA CB C 13 21.048 0.300 . 1 . . . . 108 ALA CB . 10311 1 1301 . 1 1 108 108 ALA N N 15 117.471 0.300 . 1 . . . . 108 ALA N . 10311 1 1302 . 1 1 109 109 ARG H H 1 7.297 0.030 . 1 . . . . 109 ARG H . 10311 1 1303 . 1 1 109 109 ARG HA H 1 4.257 0.030 . 1 . . . . 109 ARG HA . 10311 1 1304 . 1 1 109 109 ARG HB2 H 1 1.898 0.030 . 1 . . . . 109 ARG HB2 . 10311 1 1305 . 1 1 109 109 ARG HB3 H 1 1.898 0.030 . 1 . . . . 109 ARG HB3 . 10311 1 1306 . 1 1 109 109 ARG HD2 H 1 3.238 0.030 . 1 . . . . 109 ARG HD2 . 10311 1 1307 . 1 1 109 109 ARG HD3 H 1 3.238 0.030 . 1 . . . . 109 ARG HD3 . 10311 1 1308 . 1 1 109 109 ARG HG2 H 1 1.767 0.030 . 2 . . . . 109 ARG HG2 . 10311 1 1309 . 1 1 109 109 ARG HG3 H 1 1.627 0.030 . 2 . . . . 109 ARG HG3 . 10311 1 1310 . 1 1 109 109 ARG C C 13 176.035 0.300 . 1 . . . . 109 ARG C . 10311 1 1311 . 1 1 109 109 ARG CA C 13 56.930 0.300 . 1 . . . . 109 ARG CA . 10311 1 1312 . 1 1 109 109 ARG CB C 13 31.278 0.300 . 1 . . . . 109 ARG CB . 10311 1 1313 . 1 1 109 109 ARG CD C 13 43.737 0.300 . 1 . . . . 109 ARG CD . 10311 1 1314 . 1 1 109 109 ARG CG C 13 27.239 0.300 . 1 . . . . 109 ARG CG . 10311 1 1315 . 1 1 109 109 ARG N N 15 118.184 0.300 . 1 . . . . 109 ARG N . 10311 1 1316 . 1 1 110 110 VAL H H 1 8.327 0.030 . 1 . . . . 110 VAL H . 10311 1 1317 . 1 1 110 110 VAL HA H 1 4.066 0.030 . 1 . . . . 110 VAL HA . 10311 1 1318 . 1 1 110 110 VAL HB H 1 2.067 0.030 . 1 . . . . 110 VAL HB . 10311 1 1319 . 1 1 110 110 VAL HG11 H 1 1.002 0.030 . 1 . . . . 110 VAL HG1 . 10311 1 1320 . 1 1 110 110 VAL HG12 H 1 1.002 0.030 . 1 . . . . 110 VAL HG1 . 10311 1 1321 . 1 1 110 110 VAL HG13 H 1 1.002 0.030 . 1 . . . . 110 VAL HG1 . 10311 1 1322 . 1 1 110 110 VAL HG21 H 1 0.956 0.030 . 1 . . . . 110 VAL HG2 . 10311 1 1323 . 1 1 110 110 VAL HG22 H 1 0.956 0.030 . 1 . . . . 110 VAL HG2 . 10311 1 1324 . 1 1 110 110 VAL HG23 H 1 0.956 0.030 . 1 . . . . 110 VAL HG2 . 10311 1 1325 . 1 1 110 110 VAL C C 13 176.261 0.300 . 1 . . . . 110 VAL C . 10311 1 1326 . 1 1 110 110 VAL CA C 13 62.575 0.300 . 1 . . . . 110 VAL CA . 10311 1 1327 . 1 1 110 110 VAL CB C 13 32.742 0.300 . 1 . . . . 110 VAL CB . 10311 1 1328 . 1 1 110 110 VAL CG1 C 13 21.076 0.300 . 2 . . . . 110 VAL CG1 . 10311 1 1329 . 1 1 110 110 VAL CG2 C 13 21.172 0.300 . 2 . . . . 110 VAL CG2 . 10311 1 1330 . 1 1 110 110 VAL N N 15 123.486 0.300 . 1 . . . . 110 VAL N . 10311 1 1331 . 1 1 111 111 GLN H H 1 8.568 0.030 . 1 . . . . 111 GLN H . 10311 1 1332 . 1 1 111 111 GLN HA H 1 4.400 0.030 . 1 . . . . 111 GLN HA . 10311 1 1333 . 1 1 111 111 GLN HB2 H 1 2.000 0.030 . 2 . . . . 111 GLN HB2 . 10311 1 1334 . 1 1 111 111 GLN HB3 H 1 2.120 0.030 . 2 . . . . 111 GLN HB3 . 10311 1 1335 . 1 1 111 111 GLN HE21 H 1 7.567 0.030 . 2 . . . . 111 GLN HE21 . 10311 1 1336 . 1 1 111 111 GLN HE22 H 1 6.891 0.030 . 2 . . . . 111 GLN HE22 . 10311 1 1337 . 1 1 111 111 GLN HG2 H 1 2.377 0.030 . 1 . . . . 111 GLN HG2 . 10311 1 1338 . 1 1 111 111 GLN HG3 H 1 2.377 0.030 . 1 . . . . 111 GLN HG3 . 10311 1 1339 . 1 1 111 111 GLN C C 13 175.757 0.300 . 1 . . . . 111 GLN C . 10311 1 1340 . 1 1 111 111 GLN CA C 13 55.787 0.300 . 1 . . . . 111 GLN CA . 10311 1 1341 . 1 1 111 111 GLN CB C 13 29.616 0.300 . 1 . . . . 111 GLN CB . 10311 1 1342 . 1 1 111 111 GLN CG C 13 33.779 0.300 . 1 . . . . 111 GLN CG . 10311 1 1343 . 1 1 111 111 GLN N N 15 124.912 0.300 . 1 . . . . 111 GLN N . 10311 1 1344 . 1 1 111 111 GLN NE2 N 15 112.669 0.300 . 1 . . . . 111 GLN NE2 . 10311 1 1345 . 1 1 112 112 SER H H 1 8.441 0.030 . 1 . . . . 112 SER H . 10311 1 1346 . 1 1 112 112 SER HA H 1 4.449 0.030 . 1 . . . . 112 SER HA . 10311 1 1347 . 1 1 112 112 SER HB2 H 1 3.848 0.030 . 1 . . . . 112 SER HB2 . 10311 1 1348 . 1 1 112 112 SER HB3 H 1 3.848 0.030 . 1 . . . . 112 SER HB3 . 10311 1 1349 . 1 1 112 112 SER C C 13 174.480 0.300 . 1 . . . . 112 SER C . 10311 1 1350 . 1 1 112 112 SER CA C 13 57.708 0.300 . 1 . . . . 112 SER CA . 10311 1 1351 . 1 1 112 112 SER CB C 13 63.919 0.300 . 1 . . . . 112 SER CB . 10311 1 1352 . 1 1 112 112 SER N N 15 118.025 0.300 . 1 . . . . 112 SER N . 10311 1 1353 . 1 1 113 113 GLY H H 1 8.333 0.030 . 1 . . . . 113 GLY H . 10311 1 1354 . 1 1 113 113 GLY HA2 H 1 4.172 0.030 . 2 . . . . 113 GLY HA2 . 10311 1 1355 . 1 1 113 113 GLY HA3 H 1 4.097 0.030 . 2 . . . . 113 GLY HA3 . 10311 1 1356 . 1 1 113 113 GLY C C 13 171.785 0.300 . 1 . . . . 113 GLY C . 10311 1 1357 . 1 1 113 113 GLY CA C 13 44.654 0.300 . 1 . . . . 113 GLY CA . 10311 1 1358 . 1 1 113 113 GLY N N 15 110.749 0.300 . 1 . . . . 113 GLY N . 10311 1 1359 . 1 1 114 114 PRO HA H 1 4.477 0.030 . 1 . . . . 114 PRO HA . 10311 1 1360 . 1 1 114 114 PRO HB2 H 1 1.976 0.030 . 2 . . . . 114 PRO HB2 . 10311 1 1361 . 1 1 114 114 PRO HB3 H 1 2.299 0.030 . 2 . . . . 114 PRO HB3 . 10311 1 1362 . 1 1 114 114 PRO HD2 H 1 3.630 0.030 . 1 . . . . 114 PRO HD2 . 10311 1 1363 . 1 1 114 114 PRO HD3 H 1 3.630 0.030 . 1 . . . . 114 PRO HD3 . 10311 1 1364 . 1 1 114 114 PRO HG2 H 1 2.014 0.030 . 1 . . . . 114 PRO HG2 . 10311 1 1365 . 1 1 114 114 PRO HG3 H 1 2.014 0.030 . 1 . . . . 114 PRO HG3 . 10311 1 1366 . 1 1 114 114 PRO C C 13 177.431 0.300 . 1 . . . . 114 PRO C . 10311 1 1367 . 1 1 114 114 PRO CA C 13 63.261 0.300 . 1 . . . . 114 PRO CA . 10311 1 1368 . 1 1 114 114 PRO CB C 13 32.188 0.300 . 1 . . . . 114 PRO CB . 10311 1 1369 . 1 1 114 114 PRO CD C 13 49.780 0.300 . 1 . . . . 114 PRO CD . 10311 1 1370 . 1 1 114 114 PRO CG C 13 27.173 0.300 . 1 . . . . 114 PRO CG . 10311 1 1371 . 1 1 115 115 SER H H 1 8.556 0.030 . 1 . . . . 115 SER H . 10311 1 1372 . 1 1 115 115 SER HA H 1 4.491 0.030 . 1 . . . . 115 SER HA . 10311 1 1373 . 1 1 115 115 SER HB2 H 1 3.879 0.030 . 1 . . . . 115 SER HB2 . 10311 1 1374 . 1 1 115 115 SER HB3 H 1 3.879 0.030 . 1 . . . . 115 SER HB3 . 10311 1 1375 . 1 1 115 115 SER C C 13 174.674 0.300 . 1 . . . . 115 SER C . 10311 1 1376 . 1 1 115 115 SER CA C 13 58.390 0.300 . 1 . . . . 115 SER CA . 10311 1 1377 . 1 1 115 115 SER CB C 13 63.796 0.300 . 1 . . . . 115 SER CB . 10311 1 1378 . 1 1 115 115 SER N N 15 116.453 0.300 . 1 . . . . 115 SER N . 10311 1 1379 . 1 1 116 116 SER H H 1 8.337 0.030 . 1 . . . . 116 SER H . 10311 1 1380 . 1 1 116 116 SER HA H 1 4.477 0.030 . 1 . . . . 116 SER HA . 10311 1 1381 . 1 1 116 116 SER HB2 H 1 3.879 0.030 . 1 . . . . 116 SER HB2 . 10311 1 1382 . 1 1 116 116 SER HB3 H 1 3.879 0.030 . 1 . . . . 116 SER HB3 . 10311 1 1383 . 1 1 116 116 SER C C 13 173.945 0.300 . 1 . . . . 116 SER C . 10311 1 1384 . 1 1 116 116 SER CA C 13 58.390 0.300 . 1 . . . . 116 SER CA . 10311 1 1385 . 1 1 116 116 SER CB C 13 64.001 0.300 . 1 . . . . 116 SER CB . 10311 1 1386 . 1 1 116 116 SER N N 15 117.833 0.300 . 1 . . . . 116 SER N . 10311 1 1387 . 1 1 117 117 GLY H H 1 8.058 0.030 . 1 . . . . 117 GLY H . 10311 1 1388 . 1 1 117 117 GLY HA2 H 1 3.795 0.030 . 2 . . . . 117 GLY HA2 . 10311 1 1389 . 1 1 117 117 GLY HA3 H 1 3.744 0.030 . 2 . . . . 117 GLY HA3 . 10311 1 1390 . 1 1 117 117 GLY C C 13 179.026 0.300 . 1 . . . . 117 GLY C . 10311 1 1391 . 1 1 117 117 GLY CA C 13 46.237 0.300 . 1 . . . . 117 GLY CA . 10311 1 1392 . 1 1 117 117 GLY N N 15 116.876 0.300 . 1 . . . . 117 GLY N . 10311 1 stop_ save_